smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@H]1[C@@H]2C 106735981 UTSXCLQQDIBOGU-SEYFSXTGSA-N 276.444 3.256 5 40 CGBB CC(C)(F)c1nc2cc3ccccc3cc2[nH]c1=O 8655146 RCOLZHQVBABPAV-UHFFFAOYSA-N 256.280 3.281 5 40 CGBB CC(C)NC(=S)Nc1ccc2nc3ccccc3nc2c1 408976248 PZSOPOZSESLUKD-UHFFFAOYSA-N 296.399 3.478 5 40 CGBB CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 7345928 FABJYSVVHDMRAS-UHFFFAOYSA-N 270.716 3.167 5 40 CGBB O=[N+]([O-])c1ccccc1Nc1ccc2[nH]ncc2c1 7900737 PYHPXMXSNJKYSG-UHFFFAOYSA-N 254.249 3.215 5 40 CGBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1C 408542853 LJJOLAPXUKNSPT-SREVYHEPSA-N 274.276 3.379 5 40 CGBB Cc1cn(Cc2ccc(Cl)cc2Cl)nc1[N+](=O)[O-] 509776423 JJRUQLHWPJIRIG-UHFFFAOYSA-N 286.118 3.455 5 40 CGBB O=[N+]([O-])c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 42415195 LBAPHSYGFCVLLQ-UHFFFAOYSA-N 258.064 3.292 5 40 CGBB CCC1([N+](=O)[O-])COC(c2ccc(C(C)C)cc2)OC1 1602775 APGKOHKGOWZYBP-UHFFFAOYSA-N 279.336 3.281 5 40 CGBB O=[N+]([O-])c1ccc2ccccc2c1I 1669090 GXKBAYRYIIXJGJ-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 22806698 KLRMHTOSDKABKJ-MRVPVSSYSA-N 279.246 3.441 5 40 CGBB O=C(O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 6590267 MEUGYFMMXFTYDM-UHFFFAOYSA-N 277.207 3.224 5 40 CGBB O=[N+]([O-])c1cc([C@@H]2CO2)ccc1OCc1ccccc1 21992551 MOGUBMMGIJLRHQ-HNNXBMFYSA-N 271.272 3.245 5 40 CGBB in-vitro Cc1ccnc(N2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] 521398659 XELMSMRWLCTMBK-CYBMUJFWSA-N 298.346 3.077 5 40 CGBB O=[N+]([O-])c1cc(F)ccc1NCCOc1ccccc1 95883703 MBSFCMPYGFSQKT-UHFFFAOYSA-N 276.267 3.225 5 40 CGBB COc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 60244 HYFGWJKNUHBMIF-ZHACJKMWSA-N 298.298 3.255 5 40 CGBB biogenic Cc1[nH]c2ccccc2c1CCNc1ccc([N+](=O)[O-])cn1 19874377 ISMJLTRZXMZNJU-UHFFFAOYSA-N 296.330 3.434 5 40 CGBB Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] 562801 RJAXZIUBTPIYHM-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB Cc1ccc(C)n1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 59549620 HEAQVPXXZJFPAW-UHFFFAOYSA-N 299.286 3.143 5 40 CGBB Cc1cc2c(Br)ccc([N+](=O)[O-])c2cn1 95942538 HQGGZFKISGZGFK-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB [O-][n+]1c2ccccc2nc2ccc(C(F)(F)F)cc21 76495212 JFGWTHIJHUCHPW-UHFFFAOYSA-N 264.206 3.040 5 40 CGBB CC(C)(C)OC(=O)n1nc(Cl)c2cccc([N+](=O)[O-])c21 228915269 UWEWANIHZCYKAA-UHFFFAOYSA-N 297.698 3.381 5 40 CGBB COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 258798 GQOIAGAMZQUXML-JXMROGBWSA-N 298.298 3.255 5 40 CGBB biogenic O=C(O)c1ccc2c(O)c3ccccc3c(O)c2c1 104041632 KVCJFMDTTQNOMC-UHFFFAOYSA-N 254.241 3.102 5 40 CGBB O=[N+]([O-])c1ccc(OCc2nc3ccccc3o2)cc1 8131919 DXVRCEGXPSZLPU-UHFFFAOYSA-N 270.244 3.315 5 40 CGBB CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 24905652 DLUCIJHCRRBODB-UHFFFAOYSA-N 274.276 3.311 5 40 CGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O 162722 WIOATIZNIWMZNX-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 485420 YLZMVZQHGYNUFT-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB c1cc[n+]2cc3c(ccc4cc5cccc[n+]5cc43)cc2c1 1713775 XLTHMJCLRIYOHQ-UHFFFAOYSA-N 282.346 3.470 5 40 CGBB O=c1c(O)c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 3187626 YECFKQSYRZNFMD-UHFFFAOYSA-N 283.239 3.074 5 40 CGBB Cc1cccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] 6340449 TUUIGNDJJNMAFL-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB Cc1ccc(NC(=O)/C=C/c2ccc(C)o2)c([N+](=O)[O-])c1 6272362 DSXNOFZDVNXOTE-SOFGYWHQSA-N 286.287 3.457 5 40 CGBB Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1F 70160146 CTUUBKXWZIKEKB-UHFFFAOYSA-N 274.295 3.332 5 40 CGBB O=C(Nc1ccc(Cl)nc1)c1cc(F)ccc1[N+](=O)[O-] 69774415 ZYXHHSJOGGJXLG-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB O=Nc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 5479116 HIMDCDODYWQFTR-UHFFFAOYSA-N 268.232 3.307 5 40 CGBB Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 6281749 KJMARMJZNQJDQH-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 801236 OYZLPDKVJTUVOZ-UHFFFAOYSA-N 270.244 3.412 5 40 CGBB O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 3847752 YCLXZVZSDGHTLG-AWEZNQCLSA-N 269.256 3.049 5 40 CGBB biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=S)N(C)C)o1 40542526 OTROCVFDSYFXOX-UHFFFAOYSA-N 290.344 3.400 5 40 CGBB COc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 5921615 MDTDXLFOYGXXAG-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB CCCCNc1ccc(-c2nc(CC)no2)cc1[N+](=O)[O-] 20897974 LSSBJVWOVCJYJQ-UHFFFAOYSA-N 290.323 3.419 5 40 CGBB O=C1Nc2ccccc2[C@H]1CCNc1ccccc1[N+](=O)[O-] 12522302 LOEYJBJAUITSRU-GFCCVEGCSA-N 297.314 3.133 5 40 CGBB O=[N+]([O-])c1cc(-c2nc3ccccc3o2)cc([N+](=O)[O-])c1 3898108 QITPNOSQBITPFB-UHFFFAOYSA-N 285.215 3.311 5 40 CGBB CCCOC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 70167262 GDTIQPPSZZINFM-UHFFFAOYSA-N 278.091 3.468 5 40 CGBB Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 12808513 XTMMLNXACCDVEZ-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB Cc1cc(NCCO)nc2c1ccc1ccccc12 2024610 MXDWELIQLLOVGM-UHFFFAOYSA-N 252.317 3.101 5 40 CGBB CN(C)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 2165593 DMEKUKDWAIXWSL-UHFFFAOYSA-N 254.289 3.232 5 40 CGBB CCC(CC)(CC(=O)O)C(=O)c1ccc(C)c([N+](=O)[O-])c1 39319969 KTZMULBNYCEWIE-UHFFFAOYSA-N 293.319 3.367 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])s2)s1 5582527 SLRUEQXRDKTFOY-UHFFFAOYSA-N 256.264 3.293 5 40 CGBB CCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 4824317 AFQCMZGUMJRWFK-UHFFFAOYSA-N 298.298 3.144 5 40 CGBB O=C(Cn1ccc2ccccc21)Nc1cccc([N+](=O)[O-])c1 6757516 WYKWOPAWFBYEQN-UHFFFAOYSA-N 295.298 3.188 5 40 CGBB C[C@H](O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 53584501 RCTUBBQKJODSFB-JTQLQIEISA-N 290.294 3.399 5 40 CGBB COc1ccc(NC(=O)Oc2ccccc2)c([N+](=O)[O-])c1 12505385 AVIQJJIORLWADD-UHFFFAOYSA-N 288.259 3.214 5 40 CGBB O=c1c(=O)c2cc(Cl)ccc2sc2ccccc12 347367 DVOSCNQSSWMHAE-UHFFFAOYSA-N 274.728 3.428 5 40 CGBB CC(=O)c1ccc(C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 265344 VVUAUXRNXLJWPY-UHFFFAOYSA-N 299.282 3.325 5 40 CGBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC(C)C 32744443 TYDHUGLQFBGUSK-NSHDSACASA-N 294.351 3.158 5 40 CGBB Cc1cc(Br)c2cc([N+](=O)[O-])ccc2n1 85386289 PSKSVZWMQDVVFJ-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB O=[N+]([O-])c1cc(OC(F)F)c(Br)cc1F 95215623 LYRFADAHIFOCPH-UHFFFAOYSA-N 286.003 3.098 5 40 CGBB Cc1nccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 37866038 WKOOIHIZJLMSOH-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB O=[N+]([O-])c1c(N2CCCCC2)cc(Cl)c2nsnc12 6224125 SQVXOPGKAQREAH-UHFFFAOYSA-N 298.755 3.243 5 40 CGBB CC[N+](C)(CC)CCOC(=O)c1oc2ccccc2c1C 1813691 SSVAEJVMNPTETM-UHFFFAOYSA-N 290.383 3.384 5 40 CGBB Cc1ccsc1C(=O)OCc1ccc([N+](=O)[O-])cc1 3248417 RGWNPBZXTHWRKT-UHFFFAOYSA-N 277.301 3.322 5 40 CGBB Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC(C)C 4426071 VXNBNAJYSULRSV-UHFFFAOYSA-N 297.310 3.215 5 40 CGBB Nc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Cl 216925748 NZRQFUHZTLKDTN-UHFFFAOYSA-N 288.694 3.374 5 40 CGBB COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 34266258 GSWLIMBUDOWFBE-UHFFFAOYSA-N 271.272 3.143 5 40 CGBB O=C(O)CCCCCNc1ccc(Cl)cc1[N+](=O)[O-] 10861809 VGASUSQEAODADA-UHFFFAOYSA-N 286.715 3.305 5 40 CGBB NCCCn1c2ccccc2c2nc3ccccc3nc21 4744650 FGUQUQGDGYJKQE-UHFFFAOYSA-N 276.343 3.087 5 40 CGBB COc1cc(C(=O)Nc2cccc(C)c2)cc([N+](=O)[O-])c1 8705128 FSSZVPAGCGDOSV-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1nn(C)c(N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] 47331083 KWWAQGFDXNUADZ-SSDOTTSWSA-N 296.277 3.088 5 40 CGBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1 17009747 VPQBOYWWDYPZQM-UHFFFAOYSA-N 287.275 3.247 5 40 CGBB Cc1cccc(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-] 5711405 FJTPOVUKJJJQIZ-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB C[N+](C)(C)CCOC(=O)Oc1ccc2ccccc2c1 6469477 CHDDEZXFDVSAPB-UHFFFAOYSA-N 274.340 3.061 5 40 CGBB Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CCC2 1633861 IMVUDWIUQYINHS-UHFFFAOYSA-N 264.281 3.425 5 40 CGBB O=C1c2ccccc2-c2cc(Cl)c([N+](=O)[O-])cc21 1674723 JODXTCWOFBANQZ-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)cc1 4859564 AUINWHFNCUUISO-UHFFFAOYSA-N 254.289 3.158 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2C=C[C@H]1CC2 104104457 REDHCJABWWWJOG-COPLHBTASA-N 272.304 3.136 5 40 CGBB Cc1cc([N+](=O)[O-])cc2nc(-c3cccnc3)oc12 73639250 YQAMVRAWFSLOJH-UHFFFAOYSA-N 255.233 3.106 5 40 CGBB COc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 44184731 HLDOMEPZTSDJPX-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Oc1ccc(Cl)c(Cl)c1 8308885 RRVXRHQLVWRXHF-UHFFFAOYSA-N 288.090 3.427 5 40 CGBB CCOP(=O)(Cc1ccccc1[N+](=O)[O-])OCC 85221505 OHJRRWPFTXVJON-UHFFFAOYSA-N 273.225 3.361 5 40 CGBB Clc1cccc(N2CC[N+]3(CCCC3)CC2)c1Cl 38358174 KVWIGOGQGWFTHZ-UHFFFAOYSA-N 286.226 3.424 5 40 CGBB in-vitro CN(C)[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1662427 TURYQPXPVGECME-HNNXBMFYSA-N 254.289 3.226 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2c(Cl)cccc21 1694580 CGSHNCAGQXISKR-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccccc12 1699259 NFMFVPFUTZLMGI-UHFFFAOYSA-N 267.240 3.368 5 40 CGBB in-vivo Cc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])n1 7229508 KFCUXEQQSAHTGH-UHFFFAOYSA-N 285.259 3.018 5 40 CGBB CC(C)(C)c1n[nH]cc1/C=C/c1ccc([N+](=O)[O-])cn1 95964520 RTGMFSKNQSWRNZ-SNAWJCMRSA-N 272.308 3.181 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])Oc1ccccc1 5064214 WAECYDDRTDAXDO-UHFFFAOYSA-N 258.233 3.206 5 40 CGBB Cc1c([C@H](C)NCCc2ccccn2)cccc1[N+](=O)[O-] 95419145 TYZDEHPHJVHFFK-ZDUSSCGKSA-N 285.347 3.192 5 40 CGBB Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 5710969 XVLIXPDRJNGWNB-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB O=[N+]([O-])/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 3206443 BHMHAFIKEABPGP-BQYQJAHWSA-N 260.205 3.102 5 40 CGBB O=[N+]([O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 361199 JEYGGQFIDFVSGN-UHFFFAOYSA-N 285.234 3.451 5 40 CGBB O=c1oc2c3c(ccc2c2ccccc12)OCN(C1CC1)C3 57140414 VYDFWLXIIWMSDC-UHFFFAOYSA-N 293.322 3.261 5 40 CGBB O=C(/C=C/c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3569844 WABGGDFAMKPXLH-RMKNXTFCSA-N 286.262 3.386 5 40 CGBB Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 20032897 GMQQKQSWIXABJH-NSHDSACASA-N 257.293 3.471 5 40 CGBB Cc1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2)c1 5967081 NKSJKDPWIBQVNS-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB Cc1cc(O[C@H](C)CC[N+](C)(C)C)nc2ccccc12 525394 HYFWJKSNPVOLIL-CQSZACIVSA-N 273.400 3.407 5 40 CGBB CCN(Cc1csc(C)n1)Cc1ccccc1[N+](=O)[O-] 95960507 YPXXAZXRTYSQRP-UHFFFAOYSA-N 291.376 3.382 5 40 CGBB C[N+](C)(C)[C@H]1CCCC[C@@H]([N+](C)(C)C)CCCC1 245240339 PGODDFWWJLSAMA-IYBDPMFKSA-N 256.478 3.270 5 40 CGBB CN(Cc1ccco1)c1ccc2ncccc2c1[N+](=O)[O-] 42110188 VYCKLVBXLHFVNM-UHFFFAOYSA-N 283.287 3.372 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[C@H]2CC[C@H]1C2 104738374 NLUYJTPKNZKMJT-VPOLOUISSA-N 294.376 3.211 5 40 CGBB CSc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] 10021197 HCZRFSCQOLRXRQ-SNVBAGLBSA-N 294.376 3.331 5 40 CGBB CCCN(C(=O)c1ccoc1)c1cccc([N+](=O)[O-])c1 194145311 QJSLFNPKUSYAEO-UHFFFAOYSA-N 274.276 3.245 5 40 CGBB CCc1c([N+](=O)[O-])c(CC)c([N+](=O)[O-])c(CC)c1[N+](=O)[O-] 104151481 DQYXXGUPFWWQMH-UHFFFAOYSA-N 297.267 3.098 5 40 CGBB COc1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 3152664 BDJAEXMUQMNMAR-UHFFFAOYSA-N 297.270 3.320 5 40 CGBB Cc1ccsc1/C=C\c1onc(C)c1[N+](=O)[O-] 98031076 JCMYWAGOGPOSKN-ARJAWSKDSA-N 250.279 3.432 5 40 CGBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1C2 1664400 KKEJRNFFZBCZMW-NVBFEUDRSA-N 275.304 3.330 5 40 CGBB Cc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 8907952 MVMTWVCCOMBWRX-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 304747 SLHVDARZXWSAPZ-NXEZZACHSA-N 296.754 3.366 5 40 CGBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 13000995 FVEGSJFZUHGVEC-VIFPVBQESA-N 288.328 3.248 5 40 CGBB O=[N+]([O-])c1ccc(NC(=S)NC2CCCCC2)cc1 4685189 IZEBRODLZJJASN-UHFFFAOYSA-N 279.365 3.214 5 40 CGBB COC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 45920744 PHXQTPZAFVLEKM-UHFFFAOYSA-N 281.651 3.295 5 40 CGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccoc1 10903252 BJARZZLOWCYJLK-UHFFFAOYSA-N 294.694 3.113 5 40 CGBB O=[N+]([O-])c1ccccc1-n1ccc(-c2ccccc2)n1 685936619 LCHMLNICRYYNNB-UHFFFAOYSA-N 265.272 3.448 5 40 CGBB CC(C)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1689238 AIBAMVBBDWBVCP-UHFFFAOYSA-N 257.673 3.061 5 40 CGBB CCCCCC[C@]1(C)OCO/C1=C\C[N+](C)(C)C 5792448 BEVNKHVHEJCPJB-LTBFUDJGSA-N 256.410 3.310 5 40 CGBB Cc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1[N+](=O)[O-] 6395821 LYPHTGHMVIMGJA-UHFFFAOYSA-N 299.330 3.222 5 40 CGBB O=[N+]([O-])c1ccc(NCc2coc(-c3ccccc3)n2)cn1 84564719 NAIMEEWCAXJYFL-UHFFFAOYSA-N 296.286 3.257 5 40 CGBB O=c1oc2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2s1 26687747 INSXTOSHGJQEIO-UHFFFAOYSA-N 289.268 3.135 5 40 CGBB O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])o1 12749292 DXFBDQBNPIUMMM-UHFFFAOYSA-N 298.201 3.042 5 40 CGBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 2653921 NPZULYLIYRYMAS-UHFFFAOYSA-N 288.328 3.326 5 40 CGBB COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OC 35133718 GKZPMQCLHPWAPT-UHFFFAOYSA-N 288.303 3.224 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(F)c2)nc1 95974991 FSKRRROYRVQPLZ-HNQUOIGGSA-N 260.224 3.005 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@@H]4C[C@H]([C@H]5CC=C[C@@H]54)[C@H]32)cc1 100096363 MZGICHGTRFQXQA-UGYDUONOSA-N 296.330 3.361 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1[C@H]2CCCCCC[C@@H]21 1726359 NYBPXSUFUTXYAA-KBPBESRZSA-N 274.320 3.142 5 40 CGBB O=[N+]([O-])c1ccc2nc(NCc3ccco3)sc2c1 59461253 VMUGRVNYPHMYKO-UHFFFAOYSA-N 275.289 3.410 5 40 CGBB CSC(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C 76068983 IGHPWIMAZCQZRA-UHFFFAOYSA-N 297.380 3.166 5 40 CGBB CCC[n+]1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 226778016 MGWKAPSWBIRQNJ-UHFFFAOYSA-N 284.295 3.101 5 40 CGBB O=[N+]([O-])c1cc(C(F)F)ccc1Br 238694374 ZSKLYQJCOWESJR-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16663184 IRPGRWKUENLKLS-UHFFFAOYSA-N 261.233 3.032 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])cc2cccc(Br)c12 3056974 BAJKLNDSGWVZNI-UHFFFAOYSA-N 296.076 3.209 5 40 CGBB O=C(Nc1ccccc1)N(O)c1cccc([N+](=O)[O-])c1 365850 DOUMFFRJYVGADS-UHFFFAOYSA-N 273.248 3.023 5 40 CGBB Cc1nn(CCOc2ccccc2Cl)c(C)c1[N+](=O)[O-] 5342358 IQLNOMQJARSXBY-UHFFFAOYSA-N 295.726 3.141 5 40 CGBB Cc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1C 62710499 SQDAKIXPBHKUBM-UHFFFAOYSA-N 268.268 3.261 5 40 CGBB CCOc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291527 CCLOHXBDBIOFFO-OAHLLOKOSA-N 273.288 3.075 5 40 CGBB Cc1cc(O[C@@H](C)CC[N+](C)(C)C)nc2ccccc12 525392 HYFWJKSNPVOLIL-AWEZNQCLSA-N 273.400 3.407 5 40 CGBB CCCC[N+](CCCC)(CCCC)CCOC(N)=O 5700854 AECLXZAIOBQYLJ-UHFFFAOYSA-O 273.441 3.299 5 40 CGBB C[C@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OCC1(C)C 1679857 UXTXZUGUFFSYSY-BXKDBHETSA-N 251.282 3.055 5 40 CGBB CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 6405396 NUFQRZHPXFBXGG-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB S=C(Nc1cc2ccncc2c2ncccc12)NC1CC1 6615490 UYZBSIWIPTWWBT-UHFFFAOYSA-N 294.383 3.232 5 40 CGBB O=[N+]([O-])c1cc(I)c2ccccc2c1 71256739 ISIJKNKUKJRNRK-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB N#[N+]c1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O 5004840 WMXPMNDVUFDBAT-UHFFFAOYSA-N 252.209 3.291 5 40 CGBB CCOC(=O)c1cn(CC)c2c(ccc3ccccc32)c1=O 117258 YYKQUYKSNNBFHJ-UHFFFAOYSA-N 295.338 3.351 5 40 CGBB O=C1O[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 3847766 TVJIWJQSYXWXMR-JOZWUWCOSA-N 295.294 3.390 5 40 CGBB CCCc1nnc(NCc2ccc([N+](=O)[O-])cc2Cl)o1 97085390 FRQGSVWYOPZFBK-UHFFFAOYSA-N 296.714 3.196 5 40 CGBB CCOc1ccccc1/C=C\c1onc(C)c1[N+](=O)[O-] 408545323 XUWVYMYTXQEZOT-HJWRWDBZSA-N 274.276 3.460 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ncco2)c2ccncc12 390835398 MOJHIEBDAYTMIJ-UHFFFAOYSA-N 273.273 3.282 5 40 CGBB C[C@]1(O)CC[N+](Cc2ccccc2)(Cc2ccccc2)O1 59366691 PCPHCAIWMNZQSI-GOSISDBHSA-N 284.379 3.247 5 40 CGBB CN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1 9314111 WGFMVFFKKWAQIA-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB O=C1O[C@@H](Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 40476880 PYLWRNZTWLIIPB-CYBMUJFWSA-N 288.234 3.015 5 40 CGBB CCc1ccc(NC(=O)[C@H](C)CC)cc1[N+](=O)[O-] 27311007 GPINTXPRGDAKQX-SECBINFHSA-N 250.298 3.142 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccnc2ccccc12 83311518 ZPRHDOQKNKFPQS-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccon1 95985531 NHKDZBHWTYDPGK-SSDOTTSWSA-N 290.304 3.366 5 40 CGBB Cc1cc(CSCCOc2cccc([N+](=O)[O-])c2)on1 78555613 XGTJVQVVMQUDJZ-UHFFFAOYSA-N 294.332 3.203 5 40 CGBB O=C(NCC1(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 8772654 GZONBBFMPOPIRO-UHFFFAOYSA-N 296.326 3.056 5 40 CGBB C[N+](C)(CCOc1ccccc1)Cc1cccs1 2148 KYCIUIVANPKXLW-UHFFFAOYSA-N 262.398 3.404 5 40 CGBB in-man COC[C@H](C)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 7763431 ONPRKVKOMPPDKH-VIFPVBQESA-N 293.348 3.165 5 40 CGBB CC(C)(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5726569 CCUVAWIORHCNQW-UHFFFAOYSA-N 256.689 3.233 5 40 CGBB C[C@@H]1C[C@H]1c1ccc(Br)cc1[N+](=O)[O-] 20064305 RUXYGSMSWHYDEH-HZGVNTEJSA-N 256.099 3.481 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1F 255655 YTWGLSDHLPGWFB-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB C[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OCC1(C)C 1679858 UXTXZUGUFFSYSY-CABZTGNLSA-N 251.282 3.055 5 40 CGBB COc1ccccc1CN(C)c1sccc1[N+](=O)[O-] 95456966 REGVORVAIPBMEO-UHFFFAOYSA-N 278.333 3.301 5 40 CGBB Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1-c1ccccc1 13597708 AZYSDRGARDURMY-UHFFFAOYSA-N 295.298 3.049 5 40 CGBB CC(C)(CNc1cc(N)ccc1[N+](=O)[O-])C(F)(F)F 330032156 IXTLDLCFFFJXPJ-UHFFFAOYSA-N 277.246 3.177 5 40 CGBB O=C(O)CCCCCNc1c(Cl)cccc1[N+](=O)[O-] 11113807 LURQAKJLJHKOIM-UHFFFAOYSA-N 286.715 3.305 5 40 CGBB O=[N+]([O-])[C@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-] 1715630 QRFGNIXDMFSDQA-ZIAGYGMSSA-N 272.260 3.022 5 40 CGBB biogenic CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC 2521535 UVYHORVGKZXEMP-SSDOTTSWSA-N 254.242 3.025 5 40 CGBB in-vitro CC(=O)O[C@H]1[C@H]2CCC[C@H]1[C@H]([N+]1(C)CCCCC1)CC2 100740920 KWKSYISARSAIJR-NXOAAHMSSA-N 280.432 3.127 5 40 CGBB biogenic Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5966349 AAAOOZKCQDDAJO-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB O=C(O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 81085 BMZNTPXQZKYUKD-UHFFFAOYSA-N 282.255 3.441 5 40 CGBB in-vitro CCc1[nH]c2cc([N+](=O)[O-])ccc2c(=O)c1C(C)C 685938077 JCAYOHXWPHARQN-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 6220418 CGKKEZCIVIQVEF-SECBINFHSA-N 276.317 3.147 5 40 CGBB CC(C)n1cc([N+](=O)[O-])c(NC2CCCCC2)n1 95098511 QURFKHPRQGXHIK-UHFFFAOYSA-N 252.318 3.117 5 40 CGBB O=c1[nH]c(Nc2cccc([N+](=O)[O-])c2)cc2ccccc12 2700536 YZYINQGRHSOING-UHFFFAOYSA-N 281.271 3.180 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 8161031 VZIAEXVCIREFOC-TZMCWYRMSA-N 288.347 3.247 5 40 CGBB Cc1cc(C)c(CN(N)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 20970504 OSKJXNVXXZNZRP-UHFFFAOYSA-N 299.374 3.396 5 40 CGBB CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 12920682 VNTCVTNZNKWQBW-MRVPVSSYSA-N 270.716 3.167 5 40 CGBB Cc1ccc(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 23055110 CRRQFLDHWXIRCR-UHFFFAOYSA-N 298.342 3.484 5 40 CGBB C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 58055209 ORKCWYGFHJUIFC-GFCCVEGCSA-N 256.305 3.446 5 40 CGBB O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1 4601220 FHRKBOQWIBJPTE-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB CCc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])o1 5032663 NLLSXUYLLQCRSB-MDZDMXLPSA-N 286.287 3.402 5 40 CGBB COc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 12403174 HIKWCUBRKHZESF-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=c1[nH]c2ccc([N+](=O)[O-])cc2c2ccc(Cl)cc12 16951725 YIHMFCKZLCKCAH-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 86016 BGBZSEHDOFXGAO-GFCCVEGCSA-N 296.326 3.115 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 3446927 OPAHIRHAOFZMOT-JTQLQIEISA-N 288.278 3.225 5 40 CGBB CCc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-] 32796321 PDSNDGTVBGXQHN-UHFFFAOYSA-N 260.249 3.003 5 40 CGBB Cc1cc(C)n([C@H](C[N+](=O)[O-])c2cccc(Cl)c2)n1 75187 MKPCVRNXIDTMAC-CYBMUJFWSA-N 279.727 3.019 5 40 CGBB COC(=O)c1cc(C)sc1Nc1ccccc1[N+](=O)[O-] 22008740 ATSANGLCFQGIMM-UHFFFAOYSA-N 292.316 3.495 5 40 CGBB CC[C@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 4524543 GZDKCUNLWPSIPA-ZETCQYMHSA-N 279.321 3.189 5 40 CGBB O=c1c2ccccc2oc2nc3ccc(Cl)cc3n12 13212081 QNLAVPZCAGTQDZ-UHFFFAOYSA-N 270.675 3.247 5 40 CGBB CN(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1ccccc1 4078808 LSVNVLOIUFOODK-VQHVLOKHSA-N 288.328 3.333 5 40 CGBB Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 12396725 RRVWOKUJDVDJHD-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 108335868 MXIPPRVEUBMSCQ-RHYQMDGZSA-N 261.325 3.226 5 40 CGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 8269954 YCABMMCPCZFARB-UHFFFAOYSA-N 296.326 3.265 5 40 CGBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)cc1 9513715 UUYPORLIOBXRIL-STQMWFEESA-N 291.376 3.098 5 40 CGBB Cc1cnc(Oc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 78665456 DHKMLZQICNBGOD-UHFFFAOYSA-N 296.286 3.276 5 40 CGBB CC(=O)c1cc(Br)c(Cl)cc1[N+](=O)[O-] 575441971 KFQJRAVBEWSISI-UHFFFAOYSA-N 278.489 3.213 5 40 CGBB CCN(CC)C(=S)Sc1ccsc1[N+](=O)[O-] 239562636 IBVAUQJFNJUDMQ-UHFFFAOYSA-N 276.408 3.375 5 40 CGBB Cc1ccc(N/C=C/c2onc(C)c2[N+](=O)[O-])cc1 100151936 PDFGJCKSHYIQQA-BQYQJAHWSA-N 259.265 3.282 5 40 CGBB CCCN(CCC)c1c([N+](=O)[O-])c(=O)oc2ccccc12 4311241 YXNQAAAQDAFEDN-UHFFFAOYSA-N 290.319 3.328 5 40 CGBB CNC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408976678 SBPPDJFAQYKGAY-UHFFFAOYSA-N 293.351 3.357 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc3ncc(Cl)cc3[nH]2)s1 85224078 HGHOSNXHXSDYBK-UHFFFAOYSA-N 280.696 3.248 5 40 CGBB CC(C)Oc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225276919 GFBIDXLJPSSRAK-UHFFFAOYSA-N 265.309 3.492 5 40 CGBB CCc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 3332136 ZPULGVHKPQNNJE-UHFFFAOYSA-N 271.272 3.376 5 40 CGBB Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC1 4081305 XBIXCDGLUZJKMJ-UHFFFAOYSA-N 285.687 3.065 5 40 CGBB CC(=O)Nc1ccc2nc3c(Cl)cccc3nc2c1 32255664 CTRGFAYIWIAIPT-UHFFFAOYSA-N 271.707 3.395 5 40 CGBB CC(C)(Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 96761851 LRATUQXVLMKFRH-UHFFFAOYSA-N 298.342 3.346 5 40 CGBB O=[N+]([O-])c1c(F)cccc1N[C@H](CCO)c1ccccc1 77238190 HXOYPQSVVOTBNC-CYBMUJFWSA-N 290.294 3.270 5 40 CGBB O=[N+]([O-])c1ccccc1Oc1nccc(C(F)(F)F)n1 24052608 YMKBYGWWMCYRQO-UHFFFAOYSA-N 285.181 3.196 5 40 CGBB O=[N+]([O-])c1ccc(CN2CCC(n3cccc3)CC2)cc1 58526534 IKBOFRFUSOFSLK-UHFFFAOYSA-N 285.347 3.233 5 40 CGBB O=[N+]([O-])/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33909137 PSYPYSPEJVXBQZ-FPLPWBNLSA-N 260.205 3.102 5 40 CGBB CC(F)(F)c1ccc(Br)c([N+](=O)[O-])c1 1772820881 LIJAQOQWIWMOCI-UHFFFAOYSA-N 266.041 3.469 5 40 CGBB CC(C)(C)SC(=O)Cc1ccc([N+](=O)[O-])cc1 1711643 MKUWCGCJUTWSRM-UHFFFAOYSA-N 253.323 3.196 5 40 CGBB O=[N+]([O-])c1ccc(O)c(N2CCCC[C@@H]2c2cccnc2)c1 20459223 KEBCOEVFHDSRPO-CQSZACIVSA-N 299.330 3.427 5 40 CGBB O=c1c2ccccc2sc2nc3ccccc3n12 32265657 CJFMYUVMGSFVNS-UHFFFAOYSA-N 252.298 3.062 5 40 CGBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+]1(C)CCCC1)C2 100732649 DLBBKYDCFBRYEZ-ZOBUZTSGSA-N 266.449 3.458 5 40 CGBB [O-][n+]1ccn(O)c1-c1c2ccccc2cc2ccccc12 6345224 NTHPDXAUHZBPCH-UHFFFAOYSA-N 276.295 3.332 5 40 CGBB CCCNc1ccc(Br)cc1[N+](=O)[O-] 20016590 ZLMXCLDWDNMABR-UHFFFAOYSA-N 259.103 3.179 5 40 CGBB COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCCCC1 43466569 WYKYCZKKUKOYHN-UHFFFAOYSA-N 293.323 3.058 5 40 CGBB O=C1O/C(=C\c2ccccc2)c2ccc([N+](=O)[O-])cc21 480626 RWEIQGLZAWVMHU-ZSOIEALJSA-N 267.240 3.263 5 40 CGBB O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 3249757 MEUVGPGJAWASLP-UHFFFAOYSA-N 297.270 3.224 5 40 CGBB O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6864147 DLODTULVUARFNA-UHFFFAOYSA-N 270.288 3.166 5 40 CGBB C[N+]1(CC2CCC(C[N+]3(C)CCCC3)CC2)CCCC1 526051546 AJCIISQABIOCSE-UHFFFAOYSA-N 280.500 3.274 5 40 CGBB Cc1cccc(C(=O)Oc2ccccc2/C=C/[N+](=O)[O-])c1 33776531 IPKRXNMVFHABKS-MDZDMXLPSA-N 283.283 3.462 5 40 CGBB O=C(c1ccc2nc3ccccc3nc2c1)N1CCCCC1 96573912 WTEVAQRJIVFJGJ-UHFFFAOYSA-N 291.354 3.409 5 40 CGBB Cc1cn(-c2ccc([N+](=O)[O-])cc2F)nc1C(F)F 575441462 OLGGPTXSQUJVIV-UHFFFAOYSA-N 271.198 3.166 5 40 CGBB CCN(Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 57541649 YRINIEKFXQJECU-UHFFFAOYSA-N 271.320 3.012 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccnc3nc4ccccc4n23)cc1 20635291 FHNFJIJUCKJXAK-UHFFFAOYSA-N 290.282 3.458 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ccccc2[N+](=O)[O-])cc1O 35185426 JVPXZZIIPPRUQJ-UHFFFAOYSA-N 292.272 3.360 5 40 CGBB CCc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC)c1[N+](=O)[O-] 1656033 JSHKCXRYLBZBBY-UHFFFAOYSA-N 282.296 3.372 5 40 CGBB CCCC[n+]1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 13545822 QXYLNEOZDMNTIJ-UHFFFAOYSA-O 297.338 3.226 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccs1 17022583 SCNZUJCSYQHIBJ-UHFFFAOYSA-N 291.332 3.286 5 40 CGBB Cc1cc(C)n(-c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 40541562 PQEAJUZHESLRFW-UHFFFAOYSA-N 265.700 3.359 5 40 CGBB NC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226257169 DILMKKPJASFTST-ZZXKWVIFSA-N 292.678 3.007 5 40 CGBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)nc1 20135410 IXUIAYLKMCDHLI-UHFFFAOYSA-N 282.303 3.126 5 40 CGBB O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O 1634302 IQYMVVCMLCXPEU-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 5510064 WUUUSXSWKNSTFV-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 20110556 DHALKCZBXWMGCF-CYBMUJFWSA-N 298.342 3.323 5 40 CGBB O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])cc1 31145775 UMCDQPUBJUPPJG-UHFFFAOYSA-N 276.336 3.295 5 40 CGBB O=[N+]([O-])c1ccccc1-c1ccc(CNc2ncccn2)o1 187925640 YSJJWDJCIWZYJZ-UHFFFAOYSA-N 296.286 3.257 5 40 CGBB COc1cccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1 5011221 DNBOYGRAMHQETG-UHFFFAOYSA-N 288.259 3.045 5 40 CGBB biogenic C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 13000993 FVEGSJFZUHGVEC-SECBINFHSA-N 288.328 3.248 5 40 CGBB CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 79046031 OFFXXEQRRGIRHZ-UHFFFAOYSA-N 286.331 3.325 5 40 CGBB CCN(CC)c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 45886521 QSRRRVGKBONTPP-UHFFFAOYSA-N 273.676 3.003 5 40 CGBB Cc1nnc([C@H](C)Oc2ccc([N+](=O)[O-])c(Cl)c2)o1 96428865 AKQOEUKJEDQYOH-LURJTMIESA-N 283.671 3.080 5 40 CGBB C[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3913737 JZOBUCVZJDQOFJ-ONGXEEELSA-N 278.308 3.284 5 40 CGBB CC(C)NC(=S)Nc1cc2cccnc2c2cccnc12 104386787 IHKSAQDFLGOHEU-UHFFFAOYSA-N 296.399 3.478 5 40 CGBB O=C(OCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 70166591 JTJITTDUVBATOW-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 4948543 GCNZKHJCESWJHX-CHWSQXEVSA-N 282.299 3.337 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@H]1[C@@H]2C 504493734 UTSXCLQQDIBOGU-GWDXOCJHSA-N 276.444 3.256 5 40 CGBB CCc1ccc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292206 RJKUUSMIRWXZKT-UHFFFAOYSA-N 285.299 3.397 5 40 CGBB O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1F 152896 RQLNGQUFVJJLIV-UHFFFAOYSA-N 279.198 3.092 5 40 CGBB CCOc1cc(OCC)c(/C=C/[N+](=O)[O-])c(OCC)c1 1735333 JZXDIMUZKVLMRY-BQYQJAHWSA-N 281.308 3.130 5 40 CGBB O=[N+]([O-])c1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1 75252040 WSDLXKBPDJJBTK-UHFFFAOYSA-N 289.241 3.340 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(F)c1 22590458 QCUKBSXQBPXGJU-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 22798966 LHGJLOXCJSZTPI-ZYHUDNBSSA-N 292.335 3.372 5 40 CGBB CCCNCc1cccc2nc3ccccc3nc12 85392858 BVOCAYWLRMHBPM-UHFFFAOYSA-N 251.333 3.283 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/[S@@](=O)c2ccccc2)cc1 17111319 HEABPNKZQVICOM-VYENPZKTSA-N 273.313 3.373 5 40 CGBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1cccs1)CCC2 4028777 VFBGOHJRQMLKDQ-RFOFMGPBSA-N 294.440 3.314 5 40 CGBB O=[N+]([O-])c1c(NC2CCCCC2)ccc2nsnc12 4596620 IOYPUVVYQWISON-UHFFFAOYSA-N 278.337 3.344 5 40 CGBB Nc1ccc2c(c1)[nH]c(=O)c1ccc(Br)cc12 8628921 IITBRATYKPEHGT-UHFFFAOYSA-N 289.132 3.026 5 40 CGBB Cc1c(NC(=O)c2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] 12525606 ZWTXENJLCREJHV-UHFFFAOYSA-N 296.286 3.032 5 40 CGBB CC(=O)Nc1cc2c(cc1F)-c1ccc([N+](=O)[O-])cc1C2 1596419 QINQCWYCVXFUHC-UHFFFAOYSA-N 286.262 3.264 5 40 CGBB O=c1oc2ccccc2c(Oc2ccccc2)c1[N+](=O)[O-] 2454907 XTTIBAZZBUWMHG-UHFFFAOYSA-N 283.239 3.494 5 40 CGBB biogenic Cc1ccsc1CNCCNc1ccc([N+](=O)[O-])cc1 8416612 ROZWKVAEVUJSSN-UHFFFAOYSA-N 291.376 3.166 5 40 CGBB CC[N+](C)(CC)CCOc1cc(C)c2ccccc2n1 551402 LALIGMCJOCNDJV-UHFFFAOYSA-N 273.400 3.408 5 40 CGBB O=[N+]([O-])c1ccc2nc(SCc3ccno3)sc2c1 9254127 JANDBNHMGCCQFY-UHFFFAOYSA-N 293.329 3.485 5 40 CGBB O=[N+]([O-])c1ccc(O)c(N2CCCC[C@H]2c2cccnc2)c1 20459225 KEBCOEVFHDSRPO-AWEZNQCLSA-N 299.330 3.427 5 40 CGBB CC(=O)N(C)c1ccccc1NCc1cccc([N+](=O)[O-])c1 96427552 ZSBUZRLUZYJSJI-UHFFFAOYSA-N 299.330 3.190 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(O)cc1 4306861 PGVJQEMJVCKWFX-WEVVVXLNSA-N 298.298 3.261 5 40 CGBB Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1[N+](=O)[O-] 69812708 VOYOBRPOQUJZAO-NSHDSACASA-N 287.319 3.295 5 40 CGBB O=[N+]([O-])c1ccc(C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 100296158 OLDMLYOVKIBLLL-RBAVJSINSA-N 273.332 3.178 5 40 CGBB O=C(O)c1ccc(NSc2ccccc2[N+](=O)[O-])cc1 3155675 MRMHQXHHYIDKEB-UHFFFAOYSA-N 290.300 3.412 5 40 CGBB CC(=O)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 408976578 RPEQHUXHOJOJMT-UHFFFAOYSA-N 277.283 3.190 5 40 CGBB O=C(O)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 36193711 YVCJAQWGFOCPOS-UHFFFAOYSA-N 273.244 3.014 5 40 CGBB Cc1nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 347990225 BPYWTLYVSVIKDT-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB O=C(Nc1cccc2cnccc12)c1ccccc1[N+](=O)[O-] 96316105 SQEGSXMNRCWOII-UHFFFAOYSA-N 293.282 3.395 5 40 CGBB C[C@@H]1CCc2nc(N)c3c(=O)oc4ccccc4c3c2C1 103571403 YZQNEAUAAMPGIY-SECBINFHSA-N 280.327 3.048 5 40 CGBB CC[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 4524541 GZDKCUNLWPSIPA-SSDOTTSWSA-N 279.321 3.189 5 40 CGBB COc1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 8317288 RGAIZNBJEASHNC-UHFFFAOYSA-N 291.288 3.105 5 40 CGBB COCc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C=CCC1 83914618 VIICDLNYWKMCMV-NSHDSACASA-N 290.319 3.036 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1 34938843 ZOCQHKAJESMYCN-UHFFFAOYSA-N 261.208 3.339 5 40 CGBB Cc1ccc(OCc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 72209196 FPMDGJWHEVBZIO-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB COc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1O 32923445 DAJTUDAPAQGPBW-UHFFFAOYSA-N 292.266 3.060 5 40 CGBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccco3)n2)ccc1Cl 40169676 ZWRQJVHNOFOHFY-UHFFFAOYSA-N 290.666 3.293 5 40 CGBB CCOc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 98061852 LXTAGTFVCSNWFI-UHFFFAOYSA-N 252.657 3.195 5 40 CGBB COc1ccccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 20897513 VZPUODBRSFBHNJ-UHFFFAOYSA-N 299.286 3.059 5 40 CGBB CCOC(=O)c1ccc([C@@H](C)[N+](C)(CC)CC)o1 507330 CBVJHPNQHKSMEF-LLVKDONJSA-N 254.350 3.004 5 40 CGBB O=C(Nc1cc2ncccc2c2cccnc12)NC1CC1 408974876 HVGZSNUGTROULD-UHFFFAOYSA-N 278.315 3.067 5 40 CGBB O=[N+]([O-])c1cc(-c2noc(C(F)(F)F)n2)ccc1Cl 34797758 PVWDKLVJDYQBHP-UHFFFAOYSA-N 293.588 3.317 5 40 CGBB O=C(O)CCCCCNc1cc(Cl)ccc1[N+](=O)[O-] 5172260 BZGITCXXSDDWNE-UHFFFAOYSA-N 286.715 3.305 5 40 CGBB CCOc1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291535 CCLOHXBDBIOFFO-HNNXBMFYSA-N 273.288 3.075 5 40 CGBB C[C@H]1CCC[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 243446451 NEWBSDNICUEEOF-PHIMTYICSA-N 277.324 3.390 5 40 CGBB O=[N+]([O-])c1cccc([C@H](O)Cc2ccc3ccccc3n2)c1 1733773 KFAZYKIZFLTBCT-QGZVFWFLSA-N 294.310 3.419 5 40 CGBB O=[N+]([O-])c1cccc(C(=S)NCc2ccccc2)c1 6664710 YDTOIHIANCWDMJ-UHFFFAOYSA-N 272.329 3.060 5 40 CGBB O=[N+]([O-])c1ccc(NCCNCc2ccco2)c(Cl)c1 7519485 XATXKAFFXKWTPP-UHFFFAOYSA-N 295.726 3.043 5 40 CGBB Cc1nc(N2CCCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 38488484 UJCCRTWUFRMNFO-UHFFFAOYSA-N 299.334 3.037 5 40 CGBB COc1ccc([C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] 494826 BSPPTLGOZWAWGN-SSDOTTSWSA-N 262.092 3.265 5 40 CGBB COc1ccc(NC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 4599462 DERYATQWHUZXTA-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=[N+]([O-])c1ccc(N[C@H](CCO)c2cccs2)cc1 72293843 ZIQSIDNMXZDEJB-GFCCVEGCSA-N 278.333 3.192 5 40 CGBB C[C@@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 76061015 QLEPDXUDPMKCLX-STQMWFEESA-N 284.743 3.211 5 40 CGBB Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 20493398 FWPZDELLPKPLKI-UHFFFAOYSA-N 298.342 3.484 5 40 CGBB CCOC(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 73640165 LYWSDBKMANZIJX-UHFFFAOYSA-N 275.260 3.340 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc(F)cc3)c2c1 72226539 GIGWLAJTBKOJNX-UHFFFAOYSA-N 287.250 3.189 5 40 CGBB Cc1cccc([N+](=O)[O-])c1N(C(=O)C(C)C)C(=O)C(C)C 66089531 KUUIVQHJSUZKHY-UHFFFAOYSA-N 292.335 3.075 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 267619 GAFKEQZKYMHYSP-UHFFFAOYSA-N 296.326 3.117 5 40 CGBB CC(C)(CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)[N+](=O)[O-] 100136091 BJPQXEZVCKJQEG-WDMOLILDSA-N 255.358 3.273 5 40 CGBB in-vitro CCC[C@H](C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 2046309 FMQYNJAZGOHAHT-ZETCQYMHSA-N 254.242 3.112 5 40 CGBB O=[N+]([O-])c1cccc(CNc2cccc([N+](=O)[O-])c2)c1 4905043 HPZWCINBEYAGKS-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 12558201 IQZXXMZJDSNAEN-NSHDSACASA-N 271.320 3.379 5 40 CGBB CCN(CC)CCSCc1cccc([N+](=O)[O-])c1 72300657 LXNBUJBPBZDQHO-UHFFFAOYSA-N 268.382 3.170 5 40 CGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@H]1C=CCC1 32748287 YDVYKFHJGZWLOR-STQMWFEESA-N 288.347 3.471 5 40 CGBB O=[N+]([O-])c1ccccc1OCc1nc2ccccc2o1 8428014 KSDBXGCXDXZMGT-UHFFFAOYSA-N 270.244 3.315 5 40 CGBB O=[N+]([O-])c1cccc(Oc2ncnc3ccsc23)c1 9256880 XRPIUNNBAYWAPO-UHFFFAOYSA-N 273.273 3.392 5 40 CGBB CNc1ccc(/C=C2/C(=O)Oc3ccccc32)cc1[N+](=O)[O-] 95392553 QXVGIWNQPLBJDI-XYOKQWHBSA-N 296.282 3.096 5 40 CGBB CC[C@H](NC(=O)c1cc[nH]c1C)c1cccc([N+](=O)[O-])c1 95446732 PNVITXGDXXWVGF-AWEZNQCLSA-N 287.319 3.112 5 40 CGBB O=C(OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 3363320 IEUWNEYLXGTWPC-UHFFFAOYSA-N 281.651 3.198 5 40 CGBB S=C(Nc1cc2cccnc2c2cccnc12)NC1CC1 6257790 YOJUXBKOMFVIES-UHFFFAOYSA-N 294.383 3.232 5 40 CGBB O=[N+]([O-])c1cccc(C(=S)NC2CCCCC2)c1 9188042 ZCJQUIPZYSAWDD-UHFFFAOYSA-N 264.350 3.193 5 40 CGBB CC(=O)c1ccc(Nc2cccc(C)n2)c([N+](=O)[O-])c1 225207872 JWECIKZXAZOONA-UHFFFAOYSA-N 271.276 3.244 5 40 CGBB CCCCOc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] 225726221 ACNYUWGKGLIAIP-UHFFFAOYSA-N 287.699 3.214 5 40 CGBB COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1 16249579 YTRXYZQOCQHIMO-YVMONPNESA-N 260.249 3.070 5 40 CGBB O=C(Oc1cccc2cccnc12)c1ccccc1[N+](=O)[O-] 353850 OCGKWDSYPRAOLA-UHFFFAOYSA-N 294.266 3.362 5 40 CGBB COc1ccc(NC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 9141554 DRMMSJJAAZENHK-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1 9513716 UUYPORLIOBXRIL-CHWSQXEVSA-N 291.376 3.098 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 5589123 DHPYNGIURVSNHU-UHFFFAOYSA-N 291.238 3.254 5 40 CGBB O=C(O)c1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1Cl 8418124 LSSBBNXVPJPOSA-UHFFFAOYSA-N 293.666 3.085 5 40 CGBB COc1cc(C=O)ccc1O/C=C\c1ccc([N+](=O)[O-])o1 33376475 SOGWACSPDWWJSR-SREVYHEPSA-N 289.243 3.059 5 40 CGBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1c(C)noc1C 29750882 CJEZNIRGEUFEBZ-UHFFFAOYSA-N 276.292 3.395 5 40 CGBB Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 5268101 IPNBKDLRMXZOFL-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB Nc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)n1 71977531 ZDNJBHHNWRYSJE-UHFFFAOYSA-N 292.298 3.301 5 40 CGBB Cc1noc(C)c1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 24862413 BZBXAWWRPJVZRZ-LLVKDONJSA-N 289.335 3.393 5 40 CGBB Cc1cc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)no1 27880242 SAHDTBDSVUKSIV-OAHLLOKOSA-N 287.319 3.228 5 40 CGBB O=[N+]([O-])c1c(F)cccc1NC[C@H](O)c1ccc(F)cc1 72027385 OYVHLEOMRLODDG-ZDUSSCGKSA-N 294.257 3.019 5 40 CGBB C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 41155539 HRFOFZOBRIBMEA-LLVKDONJSA-N 298.298 3.023 5 40 CGBB C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 5515807 RKVIDSXELOQVNJ-SECBINFHSA-N 282.727 3.263 5 40 CGBB CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 284809 DBKFJQQHSAZFFV-UHFFFAOYSA-N 264.325 3.165 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3cccnc3)[nH]c2c1 2100392 YWCCDRDPLMVRAZ-UHFFFAOYSA-N 284.231 3.046 5 40 CGBB O=C1CSc2ccccc2N1c1ccc([N+](=O)[O-])cc1 16768557 GQVHUAGTMHAJGJ-UHFFFAOYSA-N 286.312 3.365 5 40 CGBB CCCCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 34057632 GPBMDSQCSRJXBX-UHFFFAOYSA-N 280.711 3.363 5 40 CGBB Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 235424 NLKLJCRZPMJTNP-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Nc1c(Br)cc(SC(F)F)cc1[N+](=O)[O-] 604221552 JLXSIGRICUFYGQ-UHFFFAOYSA-N 299.096 3.254 5 40 CGBB COC(=O)CCCCc1nc2ccc([N+](=O)[O-])cc2s1 16739578 GGROFDHQVMOUQZ-UHFFFAOYSA-N 294.332 3.090 5 40 CGBB O=[N+]([O-])c1ccc([C@H]2CN=C(Nc3ccccc3)O2)cc1 17186124 UKMYPFQCZXXZMJ-CQSZACIVSA-N 283.287 3.134 5 40 CGBB CC(=O)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-] 51588 HKYAHSMUNBCGDN-CMDGGOBGSA-N 257.245 3.013 5 40 CGBB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 304725 JLPQXRMIYNILFF-GHMZBOCLSA-N 276.336 3.021 5 40 CGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)cc1O 3075715 IZKJLQZCPNYISM-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB C[N+](C)(C)Cc1c(-c2ccccc2)nc2ccccn12 12550590 HCYRNFRUBSFJLA-UHFFFAOYSA-N 266.368 3.208 5 40 CGBB O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 4084151 GHGZVVSSOCIOKX-UHFFFAOYSA-N 277.211 3.386 5 40 CGBB CCCC[C@@H](CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 6042911 YZFJBBCPINLPBJ-CYBMUJFWSA-N 292.379 3.470 5 40 CGBB CCOc1ccc(C(=O)N(C)C(C)(C)CC)cc1[N+](=O)[O-] 71905533 MCEMMPZHIAKWDK-UHFFFAOYSA-N 294.351 3.254 5 40 CGBB CCN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 72302150 PWOWBJCJJBIUEN-LLVKDONJSA-N 297.786 3.026 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@H]1[C@H]2C 504493736 UTSXCLQQDIBOGU-VUBKXWDLSA-N 276.444 3.256 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCCCC1 6278538 CMRFYXAOINBDBS-UHFFFAOYSA-N 277.324 3.357 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1[C@H]2CCCCCC[C@H]21 18087929 NYBPXSUFUTXYAA-MZBDJJRSSA-N 274.320 3.142 5 40 CGBB COc1cccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 20897511 NOCUYDGDRGIUIY-UHFFFAOYSA-N 299.286 3.059 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1N=NC[C@@H]1c1ccccc1 104256672 BDEHDTHOWLSMEX-HUUCEWRRSA-N 295.298 3.396 5 40 CGBB CC(C)=CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 25829616 NGCMJSDAWWCEPT-LLVKDONJSA-N 262.309 3.080 5 40 CGBB CCC(=O)Nc1cc(N(CC)CC)c([N+](=O)[O-])cc1Cl 45891842 ALTPGJUNAOXQGF-UHFFFAOYSA-N 299.758 3.443 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1CNc1cccc(CO)c1 191945911 LTWOOZIGBCIULM-UHFFFAOYSA-N 272.304 3.008 5 40 CGBB CC[C@@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 76061189 OZUCMCZUTTVGJY-AWEZNQCLSA-N 285.347 3.447 5 40 CGBB O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 95977791 OIVCJSKVHDSECI-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB CCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1 226314828 QXFGFEYMSGJJLX-UHFFFAOYSA-N 261.233 3.115 5 40 CGBB O=[N+]([O-])c1ccc(SN2[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 18101814 LMJIHHSPEGLNNJ-HWYHXSKPSA-N 295.320 3.137 5 40 CGBB Cc1cccc(C)c1OC(=O)Cc1ccccc1[N+](=O)[O-] 3333624 RJBJOWLUSASRHD-UHFFFAOYSA-N 285.299 3.360 5 40 CGBB Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 39931870 JYNXNFGIONBZQH-LLVKDONJSA-N 257.293 3.471 5 40 CGBB Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 42316319 JJFKVOZTYOEWCJ-NSHDSACASA-N 257.293 3.471 5 40 CGBB O=[N+]([O-])c1ccc(Br)cc1OC(F)(F)F 95215743 OJRXNVCEAFEGSZ-UHFFFAOYSA-N 286.003 3.256 5 40 CGBB O=c1cc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2o1 17117852 FOTZMZVOUBJXIF-UHFFFAOYSA-N 283.239 3.494 5 40 CGBB CC(=O)Nc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 4991474 UJHCCWQISZXGHC-UHFFFAOYSA-N 270.288 3.144 5 40 CGBB O=[N+]([O-])c1cccc(NCc2nc(-c3ccccc3)no2)c1 8194363 JBDBJKLXRNMXCR-UHFFFAOYSA-N 296.286 3.257 5 40 CGBB Cc1cc(C(=O)N(C)Cc2cccs2)ccc1[N+](=O)[O-] 6784654 LZYTYMIHVOUYDU-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB COc1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 95348839 IQDFWQCXYUEWBH-UHFFFAOYSA-N 277.251 3.322 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC2)cc1C1CCOCC1 6257417 KDCAQSBQHQDZPV-UHFFFAOYSA-N 276.336 3.089 5 40 CGBB CCOC(=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1OC 57339270 CJBMQFIAMXITOF-UHFFFAOYSA-N 281.308 3.078 5 40 CGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 493514 REINFTHVGGYWAX-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB C[C@@H](Sc1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 49418433 NQXUXECXASYHHF-SSDOTTSWSA-N 292.320 3.104 5 40 CGBB C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 4679790 YNVAQOXIURTABG-GYSYKLTISA-N 276.336 3.149 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1 4948538 GCNZKHJCESWJHX-STQMWFEESA-N 282.299 3.337 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/c2ccnnc2)cc1Cl 97164173 ZPWPCYOTSKKWIP-OWOJBTEDSA-N 261.668 3.209 5 40 CGBB O=[N+]([O-])c1ccccc1Cc1ccccc1[N+](=O)[O-] 34252726 NABSHCGXYOFMDL-UHFFFAOYSA-N 258.233 3.094 5 40 CGBB CC(C)c1ccc(I)c([N+](=O)[O-])c1 213510243 KLGIWAVLLFMOGW-UHFFFAOYSA-N 291.088 3.323 5 40 CGBB Cc1cc(Br)nc2ccc([N+](=O)[O-])cc12 1682873 VVLHBVMNWJSSCJ-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccoc1 16236495 WHYLSJHDKXUXQA-JTQLQIEISA-N 274.276 3.021 5 40 CGBB CC1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 96004897 WQGNYWZOGXGGAA-UHFFFAOYSA-N 292.339 3.034 5 40 CGBB O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 5635292 DQJHWXBYFHJRTA-UHFFFAOYSA-N 279.198 3.092 5 40 CGBB Cc1ncc([N+](=O)[O-])n1Cc1ccc(Cl)c(Cl)c1 267867 LRLDWFUENRXNBD-UHFFFAOYSA-N 286.118 3.455 5 40 CGBB Nc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 1276264 SJWGWIKUZVYTNK-UHFFFAOYSA-N 285.306 3.174 5 40 CGBB Cn1c2ccc([N+](=O)[O-])cc2c2cccc([N+](=O)[O-])c21 2054121 WDDXDZCWSZSBQG-UHFFFAOYSA-N 271.232 3.148 5 40 CGBB C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 72209589 DQRPWGWHAQJBBT-SECBINFHSA-N 254.717 3.485 5 40 CGBB Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)sc1C 6254669 XFTVDESBPFSAAJ-UHFFFAOYSA-N 291.332 3.229 5 40 CGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100631556 JGBBQPNRTHIWRY-FXPVBKGRSA-N 278.283 3.109 5 40 CGBB O=C(CCc1ccsc1)Nc1ccc([N+](=O)[O-])cc1 21887574 ZQWLSQAYBNLMAB-UHFFFAOYSA-N 276.317 3.228 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1N1C=CC(C)(C)N=C1S 54957291 FIJMRTNYGRRNNV-UHFFFAOYSA-N 277.349 3.301 5 40 CGBB Cc1ccc(NC(=O)c2ccsc2)cc1[N+](=O)[O-] 22590443 UVZGJMFPWADCTJ-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB O=C(Oc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 363071 GSFICNLFXVMHBP-UHFFFAOYSA-N 277.663 3.467 5 40 CGBB O=C(NCc1ccccc1Cl)c1ccc([N+](=O)[O-])s1 14128813 JDBZLJVOCBKKRY-UHFFFAOYSA-N 296.735 3.240 5 40 CGBB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1cccs1 96991082 UFEUBHVBIVQGFC-YRNVUSSQSA-N 272.285 3.149 5 40 CGBB CCOc1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292645 AKVGTLANWNOUBJ-HNNXBMFYSA-N 273.288 3.075 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])c(Br)c2ccccc12 90685718 JMWKCZADLCMYID-UHFFFAOYSA-N 296.076 3.209 5 40 CGBB CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)sc1C 161557669 GXFRKOSFVJIJCC-UHFFFAOYSA-N 292.316 3.203 5 40 CGBB COc1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 6569291 YHSWNVJZAVMCCS-UHFFFAOYSA-N 258.277 3.216 5 40 CGBB O=[N+]([O-])c1ccc(N[C@H]2CCN3CCCC[C@@H]23)c(Cl)c1 195529117 QZEQERWRTZTGNG-KBPBESRZSA-N 295.770 3.287 5 40 CGBB O=C(Nc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 16489636 HQCAPOVCQPCVNG-UHFFFAOYSA-N 275.239 3.378 5 40 CGBB O=C(NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1 40082525 OLASDSRBTPKALM-UHFFFAOYSA-N 294.376 3.000 5 40 CGBB O=[N+]([O-])c1cccnc1NCCc1ccc(Cl)cc1 20031396 DDPNTMKTRQPTIR-UHFFFAOYSA-N 277.711 3.298 5 40 CGBB CN(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 45396380 KFOQMEWTHVVTOS-UHFFFAOYSA-N 295.701 3.419 5 40 CGBB Cc1c([N+](=O)[O-])cnc2ccc(Br)cc12 72204046 MYJZQOHLSJFXDS-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB O=Cc1cn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 96191511 NYFTXUZGBLOIKD-UHFFFAOYSA-N 294.266 3.051 5 40 CGBB Cc1c(NC(=O)c2cc(C)n(C)c2C)cccc1[N+](=O)[O-] 298281653 SJWINKDHKBLVOY-UHFFFAOYSA-N 287.319 3.111 5 40 CGBB CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])ccc1O 3154490 AMTAYARIFLEGKN-UHFFFAOYSA-N 294.351 3.343 5 40 CGBB O=[N+]([O-])c1ccccc1N1CCC(Cl)=C(Cl)C1 95467536 AFGQLZZXLHGKBY-UHFFFAOYSA-N 273.119 3.494 5 40 CGBB CC(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 373393 OJAOWWURYSTTLF-UHFFFAOYSA-N 256.689 3.233 5 40 CGBB O=[N+]([O-])c1c(NCCc2ccccn2)ccc2ncccc12 42109464 YKMJIWRBVRABDW-UHFFFAOYSA-N 294.314 3.193 5 40 CGBB CCOc1ccc2nc3cccc(OC)c3nc2c1 4141418 QLKAAXUPOCKNDE-UHFFFAOYSA-N 254.289 3.190 5 40 CGBB Cc1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 338810 JXEWDROHALNZJK-UHFFFAOYSA-N 280.287 3.151 5 40 CGBB CC(=O)c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 8178227 BHZGYALWXKISRD-JTQLQIEISA-N 262.309 3.176 5 40 CGBB Cc1c(OCc2nc(CC(C)C)no2)cccc1[N+](=O)[O-] 47355395 YODREJAXRITHDF-UHFFFAOYSA-N 291.307 3.064 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSC(F)(F)F 33158611 RPYYXLZHJGFKDW-UHFFFAOYSA-N 294.254 3.095 5 40 CGBB O=[N+]([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1 24052645 FHRGYKDVGKJABU-UHFFFAOYSA-N 285.181 3.196 5 40 CGBB O=C1Nc2ccccc2S/C1=C\c1ccc([N+](=O)[O-])o1 409104912 LAZIUFHKXAIOGM-XFFZJAGNSA-N 288.284 3.273 5 40 CGBB COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])s1 3451798 YNTFBDFQYSPKSW-UHFFFAOYSA-N 292.316 3.226 5 40 CGBB CN(C)c1c(Cl)cc(Br)cc1[N+](=O)[O-] 45958917 UHXZMAHXOGSXEW-UHFFFAOYSA-N 279.521 3.077 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(F)c1 12777185 HSRSSKZXDCAIQX-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB c1ccc2c(CN3CCNCC3)c3ccccc3cc2c1 34742755 XOMAHPANTKOFLM-UHFFFAOYSA-N 276.383 3.398 5 40 CGBB O=C(c1ccccc1[N+](=O)[O-])n1ccc2ccccc21 32611752 MTBFXSRAPLTWBR-UHFFFAOYSA-N 266.256 3.238 5 40 CGBB N[C@@H](CC(=O)O)c1cc2ccccc2c2ccccc12 44195916 QFXIFASEONFLKO-INIZCTEOSA-N 265.312 3.468 5 40 CGBB COc1cc2nc3c4ccccc4n(C)c3nc2cc1OC 4513690 STVLCIRWFDAYHT-UHFFFAOYSA-N 293.326 3.292 5 40 CGBB CC(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 794921 UWRUQHKWNZKNNG-CMDGGOBGSA-N 257.245 3.397 5 40 CGBB O=[N+]([O-])c1ccc(SCCOc2ccccc2)nc1 7462770 CLCOVDXOZJFSIP-UHFFFAOYSA-N 276.317 3.161 5 40 CGBB O=C1O[C@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 40476885 YQYCYTOAAABOMH-ZDUSSCGKSA-N 288.234 3.015 5 40 CGBB O=c1c2cc([N+](=O)[O-])ccc2sc2ccsc12 1701381 GOIKLKDFDSEHJA-UHFFFAOYSA-N 263.299 3.384 5 40 CGBB CCc1nccn1Cc1cc([N+](=O)[O-])ccc1Cl 42419783 JEKYAQOLDPKXIQ-UHFFFAOYSA-N 265.700 3.055 5 40 CGBB CCC[N+](C)(C)[C@H](C)[C@@H](OC(C)=O)c1ccccc1 5252408 DEAFFDUUUHQLEP-CZUORRHYSA-N 264.389 3.166 5 40 CGBB CCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1 1669863 OFWOUNKHYXUEPI-UHFFFAOYSA-N 251.282 3.332 5 40 CGBB Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] 209591 MSMZPBGANVGFBL-GHMZBOCLSA-N 276.336 3.021 5 40 CGBB CCOCc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 65552114 HGVGTEMQULUIRP-UHFFFAOYSA-N 287.319 3.138 5 40 CGBB CCCOc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225277025 GHNAOZXGKNWRLQ-UHFFFAOYSA-N 265.309 3.494 5 40 CGBB C[C@]1(c2ccccc2)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]21 4981693 NNEFSNCOOGBWSC-HYVNUMGLSA-N 294.310 3.285 5 40 CGBB Cc1cc(N2CCC(Cl)=C(Cl)C2)ncc1[N+](=O)[O-] 95467538 FOHMGZQZWATLAL-UHFFFAOYSA-N 288.134 3.198 5 40 CGBB CC(=O)N(Cc1ccccc1[N+](=O)[O-])c1ccccc1C 1873326 NDLSHIDLBLZOFZ-UHFFFAOYSA-N 284.315 3.456 5 40 CGBB CCOC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721421 HGAPRXFBXAHAAI-UHFFFAOYSA-N 291.310 3.441 5 40 CGBB O=c1c([N+](=O)[O-])cccn1Cc1c(Cl)cccc1Cl 72280391 NORXTRUPICWXGU-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB Cc1cn(-c2ccccc2[N+](=O)[O-])nc1C(F)F 575441649 TXVHRRUSXZGFJS-UHFFFAOYSA-N 253.208 3.027 5 40 CGBB O=C(O)c1ccc(Nc2ccccc2F)c([N+](=O)[O-])c1 19845084 BFRMKQQGQCNGEA-UHFFFAOYSA-N 276.223 3.176 5 40 CGBB Cc1ccsc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 21797504 WJLOIKGYXCYQLB-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccs2)nc1 25370587 PSEQIJZJFXYAGH-LLVKDONJSA-N 275.333 3.393 5 40 CGBB O=[N+]([O-])c1ccc(Oc2ncnc3ccsc23)cc1 9513489 MGYIKBFEPXTOGJ-UHFFFAOYSA-N 273.273 3.392 5 40 CGBB CC[C@@]1(C)CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 79102114 PRHYLBIKCRRTLV-WAVCKPEOSA-N 288.347 3.257 5 40 CGBB Nc1c(Br)cc([N+](=O)[O-])c2ccccc12 95595255 LLEDLJCUWYEYLA-UHFFFAOYSA-N 267.082 3.093 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 2024721 MRPVWUGPLHDBTK-UHFFFAOYSA-N 285.215 3.311 5 40 CGBB C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 995167 YRCYPHKIAUZZNY-VIFPVBQESA-N 282.727 3.120 5 40 CGBB CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3069572 UCTYMEYCTHKFJF-ZHACJKMWSA-N 282.299 3.271 5 40 CGBB O=C(c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 37364314 QFHSPRMBZQIEIC-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB O=[N+]([O-])c1cccc(OCC(Cl)(Cl)Cl)c1 1083811739 KLKVRPVBUKZBPJ-UHFFFAOYSA-N 270.499 3.344 5 40 CGBB CC(C)c1ncc([N+](=O)[O-])n1C(=O)CCc1ccccc1 5633642 QFOCCNKVVLAPMA-UHFFFAOYSA-N 287.319 3.188 5 40 CGBB Cc1csc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)n1 273816 MECQLTGWAOCKLC-UHFFFAOYSA-N 288.284 3.133 5 40 CGBB Cc1ccccc1C(=O)OCc1ccccc1[N+](=O)[O-] 6525457 RVJSAALAUIXHEV-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB CCCC[C@H](CC)CNC(=O)Cc1ccccc1[N+](=O)[O-] 57025779 BUDRLEIIQXOEGF-ZDUSSCGKSA-N 292.379 3.470 5 40 CGBB Cc1nc2ccccc2nc1COc1ccccc1[N+](=O)[O-] 12788997 SYFSNZITWNJVIN-UHFFFAOYSA-N 295.298 3.425 5 40 CGBB O=C(O)CCC(=O)Nc1ccnc2c1ccc1ccccc12 40384379 DCHZPUKNEBJGPD-UHFFFAOYSA-N 294.310 3.191 5 40 CGBB CC[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100820740 NKLPFSZKMVOBNM-DZKIICNBSA-N 254.438 3.314 5 40 CGBB O=C(Oc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1 43827449 MFUOAENDVOLANZ-UHFFFAOYSA-N 293.662 3.173 5 40 CGBB COC(=O)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 73642042 CBDYKBADOJAFPN-UHFFFAOYSA-N 298.254 3.190 5 40 CGBB O=c1c2ccccc2sc2ccc([N+](=O)[O-])cc12 19626843 DYRJLHNVMSBZLR-UHFFFAOYSA-N 257.270 3.323 5 40 CGBB Cc1c(F)cccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 1600020 PGPUCANMEQTNJZ-UHFFFAOYSA-N 289.262 3.399 5 40 CGBB CNc1cc([N+](=O)[O-])ccc1OCc1ccccc1 1657060 MJKAVVPKNPVVOV-UHFFFAOYSA-N 258.277 3.216 5 40 CGBB CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 21836000 BAMCZCFXPLRYTI-VAWYXSNFSA-N 288.347 3.399 5 40 CGBB O=[N+]([O-])c1ccc(Br)c(OC(F)(F)F)c1 396162605 QHLYUSBHQICTQE-UHFFFAOYSA-N 286.003 3.256 5 40 CGBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1C2 104146234 KKEJRNFFZBCZMW-HCKVZZMMSA-N 275.304 3.330 5 40 CGBB CC(C)CNc1ccc([N+](=O)[O-])cc1Br 37131184 GBTBBDVGUBCAIL-UHFFFAOYSA-N 273.130 3.425 5 40 CGBB Cc1ccc(C)c(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 10701026 UNZVRLNTRJQWNS-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB CCO[C@@H]1c2c(C)ccc([N+](=O)[O-])c2OC1(C)C 4105219 KEXBZZJRTCEAQU-GFCCVEGCSA-N 251.282 3.152 5 40 CGBB Cc1cc(NC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 96503119 UZZWBSMSASFPJO-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB OC[C@@H]1CCC[N+]1(c1ccccc1)c1ccccc1 5775357 QORHFSWJMCTPCJ-KRWDZBQOSA-N 254.353 3.480 5 40 CGBB Cc1csc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 3561997 BEJRSQPYMPNIRM-QPJJXVBHSA-N 289.316 3.012 5 40 CGBB CN(C)C(=S)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 40542505 PXUAWPKMAYHRDU-UHFFFAOYSA-N 276.317 3.092 5 40 CGBB Cc1cccc(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 20408388 GZWMFFLUSXYZDL-UHFFFAOYSA-N 291.328 3.044 5 40 CGBB Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2cccc(Cl)c2)n1 75184 MKPCVRNXIDTMAC-ZDUSSCGKSA-N 279.727 3.019 5 40 CGBB O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1 33966 ULXCGRAUCRLSRG-OAHLLOKOSA-N 253.257 3.438 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 24831941 RVNXKDUUNKUWMW-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=[N+]([O-])c1ccc(/C=C2\COc3ccccc3[C@H]2O)cc1 4060904 DACYHABIILPYLA-YHVDPYDOSA-N 283.283 3.104 5 40 CGBB O=[N+]([O-])c1cc(F)c(Cl)cc1OC(F)(F)F 95215449 SVXYHVJHRXLOSA-UHFFFAOYSA-N 259.542 3.286 5 40 CGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)ccc1F 12796877 SBLPCQKKASQWSU-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB CCN(C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 72302149 PWOWBJCJJBIUEN-NSHDSACASA-N 297.786 3.026 5 40 CGBB O=C(Nc1ccccc1O)c1coc2ccc([N+](=O)[O-])cc12 408965917 JXWQUDQWVIWTGO-UHFFFAOYSA-N 298.254 3.299 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1C(F)(F)F 16159825 FAFVUUKOJIVNBX-UHFFFAOYSA-N 270.550 3.175 5 40 CGBB O=c1[nH]c2cc([N+](=O)[O-])cc(Cl)c2c2ccccc12 16930124 USXUHZCRUYRSPP-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB CCc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-] 27317968 XXVWWEWYIDZMMK-UHFFFAOYSA-N 262.309 3.286 5 40 CGBB COc1cccc(CN(C)c2ccc(F)cc2[N+](=O)[O-])c1 58298013 VPZZTVRQMOLEBM-UHFFFAOYSA-N 290.294 3.379 5 40 CGBB Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293081 WRBYFGMHJUMHGD-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB O=[N+]([O-])c1cc(OC(F)(F)F)c(Cl)cc1F 95215411 YWELXMLINUDPAH-UHFFFAOYSA-N 259.542 3.286 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 5814982 ZXBRFSFDZPFOLH-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4822911 GRJOQWGGWXHXQQ-UHFFFAOYSA-N 273.248 3.271 5 40 CGBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F 24107682 YPANABFFHAAFGD-QMMMGPOBSA-N 279.246 3.441 5 40 CGBB CN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1 25495849 CDFNWNNCAZTUPC-UHFFFAOYSA-N 283.287 3.372 5 40 CGBB O=C(Nc1cc2cccnc2c2cccnc12)NC1CC1 6257788 NXIGSPWBRGIWFS-UHFFFAOYSA-N 278.315 3.067 5 40 CGBB O=[N+]([O-])c1cn(Cc2cc3ccccc3nc2Cl)cn1 25451646 BPANOXFSNWTBIQ-UHFFFAOYSA-N 288.694 3.041 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100757505 UBCQEAQWETXMQV-MDHDOXDCSA-N 288.347 3.149 5 40 CGBB O=[N+]([O-])c1ccc(OCc2cnn(-c3ccccc3)c2)cc1 14215404 OIXZBYKVCYMQIY-UHFFFAOYSA-N 295.298 3.360 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C/c2cnccn2)c1 16931268 PCBRISZSUULSAM-OWOJBTEDSA-N 261.668 3.209 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1OCc1c(C)noc1C 59125209 SSXBLRSXHNTKJR-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB C[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 42109348 DEKFZVUQSXJZAS-LLVKDONJSA-N 271.320 3.379 5 40 CGBB NC(=O)/C=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 352064354 JPRWFQGYFONSSF-UTCJRWHESA-N 292.678 3.007 5 40 CGBB Cc1cc(=O)oc2cc(Oc3ncccc3[N+](=O)[O-])ccc12 12546960 LRBXMCYCGCTWGI-UHFFFAOYSA-N 298.254 3.197 5 40 CGBB CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 38771549 RYLZFGGFFUUGEP-HNNXBMFYSA-N 298.342 3.405 5 40 CGBB COc1ccc([C@H](O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 226292422 KJDIWKMMMGEGJS-INIZCTEOSA-N 287.315 3.302 5 40 CGBB O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])s1 6786532 USFWNORZSXKGFQ-UHFFFAOYSA-N 268.338 3.109 5 40 CGBB COc1ccc2[nH]cc(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1 199721183 WAGMNEGSUNVRCG-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB COc1ccccc1Nc1cc([N+](=O)[O-])ccc1C(=O)O 70232153 UOWYDVNOEHKXOM-UHFFFAOYSA-N 288.259 3.045 5 40 CGBB Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 38544 SKAQTBUOYJZQNX-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB O=[N+]([O-])c1ccccc1[C@H](O)Cc1ccc2ccccc2n1 1747025 BTJXFIIVAGFXNK-QGZVFWFLSA-N 294.310 3.419 5 40 CGBB C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)O 20549284 OHCHYALIUQFVJN-BXKDBHETSA-N 278.308 3.284 5 40 CGBB Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 3065210 XIWFIFVPJVADRY-UHFFFAOYSA-N 286.243 3.042 5 40 CGBB CCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 62716731 GVTISBIWACQTAM-UHFFFAOYSA-N 263.080 3.250 5 40 CGBB CC(C)CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 10410904 ZBLGUZXOUORHJV-NSHDSACASA-N 264.325 3.149 5 40 CGBB CN(CCC(F)(F)F)c1ncc([N+](=O)[O-])cc1Cl 95398912 HQWQVLTZVWATEF-UHFFFAOYSA-N 283.637 3.032 5 40 CGBB CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC 5925482 UVYHORVGKZXEMP-ZETCQYMHSA-N 254.242 3.025 5 40 CGBB in-vitro CCc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC1 226315353 LAIKIKKDQVAJRU-UHFFFAOYSA-N 254.717 3.411 5 40 CGBB Cc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1 5362827 WOBDFLDKBWLRGK-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB CCOc1nc2ccccc2c2ccccc2c1=O 1723096 WWJARZFAVYEIRI-UHFFFAOYSA-N 251.285 3.147 5 40 CGBB CC(C)NC(=O)Nc1cc2cccnc2c2cccnc12 6364692 OHMKKBFJRVLDAP-UHFFFAOYSA-N 280.331 3.313 5 40 CGBB CNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 7499439 MCZPCYBYMXPTCK-UHFFFAOYSA-N 296.286 3.354 5 40 CGBB C[C@H](C[N+](C)(C)C)OC(=O)C1(c2ccccc2)CCCC1 186603 MTABZUJYGRMFFB-OAHLLOKOSA-N 290.427 3.136 5 40 CGBB O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 16471660 OMZVDYGWMSAVDI-OAHLLOKOSA-N 282.299 3.012 5 40 CGBB O=C1C=CC(=O)N1c1ccc2cc3ccccc3cc2c1 143311881 ZXZDSEDLSYAEBG-UHFFFAOYSA-N 273.291 3.422 5 40 CGBB COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)s1 122188439 UTZGVHANVGDIMY-UHFFFAOYSA-N 293.300 3.022 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccnn2-c2ccccc2)cc1 20635944 YZWANVMVDZKGCA-UHFFFAOYSA-N 265.272 3.448 5 40 CGBB COc1ccc(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])cc1 4255588 CDZJTLXDOMDYAN-UHFFFAOYSA-N 294.698 3.099 5 40 CGBB CCCc1nnc(SCc2cccc([N+](=O)[O-])c2)o1 20033793 BWQRSWTWYRGEFE-UHFFFAOYSA-N 279.321 3.223 5 40 CGBB O=[N+]([O-])c1cnn(CCCCOc2cccc(Cl)c2)c1 67799661 WDDOYGXOVGMVRG-UHFFFAOYSA-N 295.726 3.304 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCCC[C@@H]2C1 8161097 CDEUIZXPPIBTLT-TZMCWYRMSA-N 288.347 3.247 5 40 CGBB O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)o1 85390200 ZKKDEPQPVFIKFG-ZZXKWVIFSA-N 259.217 3.056 5 40 CGBB O=[N+]([O-])c1cnc2nc(-c3ccc(Cl)cc3)oc2c1 96345914 ISBHLYBUMFYUMO-UHFFFAOYSA-N 275.651 3.451 5 40 CGBB O=[N+]([O-])c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 4773716 TXJIDOLTOGSNPD-UHFFFAOYSA-N 259.221 3.247 5 40 CGBB COc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 52472310 VCDMGXJQBVNSIS-LLVKDONJSA-N 287.319 3.042 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1 1753388 UAAGDTDBDFRSRT-UHFFFAOYSA-N 285.303 3.225 5 40 CGBB CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 12874301 NPCLEUJVACFSET-UHFFFAOYSA-N 276.317 3.323 5 40 CGBB O=[N+]([O-])c1ccccc1NCCN1CCc2ccccc2C1 32779300 IRFXQMNWVVEUOL-UHFFFAOYSA-N 297.358 3.065 5 40 CGBB O=[N+]([O-])c1ccccc1Oc1ncnc2ccccc12 29161877 JSDCONDZTIJHLP-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 20032894 GMQQKQSWIXABJH-LLVKDONJSA-N 257.293 3.471 5 40 CGBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 9118828 JTQMOCZTNMADAF-UHFFFAOYSA-N 289.266 3.028 5 40 CGBB Cc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 68195344 HQQCYXZNNFAIBH-UHFFFAOYSA-N 299.330 3.262 5 40 CGBB CCOC(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 794935 RLDOUHHNXJLBGZ-MDZDMXLPSA-N 287.271 3.371 5 40 CGBB C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 5515827 RDGLGHADSRYBFW-SECBINFHSA-N 282.727 3.120 5 40 CGBB C[N+](C)(C)C12CCC(CC1)C1([N+](C)(C)C)CCC2CC1 1730109 PNAWDMAIJLXMGT-UHFFFAOYSA-N 280.500 3.270 5 40 CGBB CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 4506269 BABRDCMSLFXEQI-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB Cc1c(C(=O)NCC2=CCCCC2)cccc1[N+](=O)[O-] 223375301 VSWBQFVFCZGUCF-UHFFFAOYSA-N 274.320 3.133 5 40 CGBB O=[N+]([O-])c1ccc(CCN2CCc3ccccc3C2)cc1 51112580 UESFUXWNEATOPE-UHFFFAOYSA-N 282.343 3.196 5 40 CGBB CCOc1cccc(NCc2scnc2C)c1[N+](=O)[O-] 96009269 FBOOQWUFTAPKLC-UHFFFAOYSA-N 293.348 3.371 5 40 CGBB O=C(O)c1cc(/C=C\c2ccccc2)ccc1[N+](=O)[O-] 5160214 WZECHOIXBZIMAD-SREVYHEPSA-N 269.256 3.463 5 40 CGBB COc1ccc(OC(=O)Nc2ccccc2[N+](=O)[O-])cc1 5064215 INMCPWLXUZHXHU-UHFFFAOYSA-N 288.259 3.214 5 40 CGBB O=[N+]([O-])c1cccnc1NCCc1cccc2cccnc12 14813640 CTQODMSUZBEGNM-UHFFFAOYSA-N 294.314 3.193 5 40 CGBB COc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 54886580 DUGUFKGDHADWBV-HNNXBMFYSA-N 299.330 3.340 5 40 CGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 22124599 LHFMGINPRHLMKV-UHFFFAOYSA-N 292.335 3.008 5 40 CGBB Nc1cc(Cl)cc2c1nc(NCCO)c1ccccc12 31719450 VZCRTWUJTQAWMM-UHFFFAOYSA-N 287.750 3.028 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 3156778 WPAIPXBFANHAPL-JXMROGBWSA-N 274.320 3.011 5 40 CGBB O=[N+]([O-])c1cccc(COc2cccc(-c3nnco3)c2)c1 29751257 FFVPVFFDKHARIP-UHFFFAOYSA-N 297.270 3.224 5 40 CGBB COc1ccc2c(c1)sc1nc3ccccc3c(=O)n12 32611789 IYQNCUJZZOZEBJ-UHFFFAOYSA-N 282.324 3.071 5 40 CGBB Cc1cc(-c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] 40169725 GLAWEGYYXXNJMY-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCCC2)nc1 12516088 OJHQTQQCWDVSFT-UHFFFAOYSA-N 299.334 3.119 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2CCCC[C@@H]21 1020912 UIFLHGMKOCKTAP-WFASDCNBSA-N 288.347 3.390 5 40 CGBB O=[N+]([O-])c1ccc(NC2C3CC4CC(C3)CC2C4)nc1 18247493 QBPNARXLBSHPJG-UHFFFAOYSA-N 273.336 3.226 5 40 CGBB CC(C)[C@@H](C)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 95964730 BCLGNZIACWFPAM-GFCCVEGCSA-N 278.352 3.030 5 40 CGBB Cc1nc2ccccc2nc1Oc1cccnc1[N+](=O)[O-] 40497346 RZPYELXATGSXJJ-UHFFFAOYSA-N 282.259 3.034 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 347308 HQHOYTXNCOKBNE-UHFFFAOYSA-N 261.664 3.479 5 40 CGBB O=C(Nc1cccc2ncccc12)c1ccc([N+](=O)[O-])s1 15979937 CGBQFNCFSWWIDT-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB Cc1cc([N+](=O)[O-])c(N)cc1N1[C@H](C)CCC[C@H]1C 216863381 QZAAWQXPQYXOLB-GHMZBOCLSA-N 263.341 3.253 5 40 CGBB Cc1ccc(-c2ccc(C(=S)N(C)C)o2)c([N+](=O)[O-])c1 40542514 HPGLNERPZCNZJT-UHFFFAOYSA-N 290.344 3.400 5 40 CGBB CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 196255293 COIVDSVHFKCYDY-UHFFFAOYSA-N 271.272 3.225 5 40 CGBB CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl 89065114 AWGXKDKZWXJTFT-UHFFFAOYSA-N 257.673 3.204 5 40 CGBB O=C1c2ccccc2C[C@@H]1c1ccc([N+](=O)[O-])cc1 143435182 VIVMODSPPPKEPH-CQSZACIVSA-N 253.257 3.117 5 40 CGBB CCN(C)c1cc(=O)c2ccc3ccccc3c2o1 1566063 HHRSLWWJFDXZCT-UHFFFAOYSA-N 253.301 3.402 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cccc(F)c1 24984363 QIUBUOIPADOAMO-UHFFFAOYSA-N 272.279 3.297 5 40 CGBB Cc1cccc(C(=O)Nc2cc(C(C)C)n[nH]2)c1[N+](=O)[O-] 69660460 UXKRXUBRJWSUDP-UHFFFAOYSA-N 288.307 3.002 5 40 CGBB COc1ccc(F)cc1COc1ccc(C)nc1[N+](=O)[O-] 5970100 UHMWJWVUMJWUNF-UHFFFAOYSA-N 292.266 3.025 5 40 CGBB C[n+]1c(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc21 6519974 YIMXYLYSEDLJRF-DHZHZOJOSA-N 281.291 3.336 5 40 CGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 1514456 LRKDVUXDYWCBTF-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB O=C(NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 8705144 IMUMAIUHWIHNPZ-UHFFFAOYSA-N 296.326 3.056 5 40 CGBB Cc1ccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2c1 13285088 YMVCCALFHZAHDO-UHFFFAOYSA-N 253.261 3.447 5 40 CGBB Cn1ccnc1SCc1c[nH]c2cc([N+](=O)[O-])ccc12 59459173 DPKINZAZQKPBBA-UHFFFAOYSA-N 288.332 3.102 5 40 CGBB COc1ccc([C@H](O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 226292390 ARMQFJNAQMRTSW-MRXNPFEDSA-N 287.315 3.302 5 40 CGBB Cc1c(NC(=O)N2CCC=C(Cl)C2)cccc1[N+](=O)[O-] 585140507 GKHVPSLEUPUMAE-UHFFFAOYSA-N 295.726 3.264 5 40 CGBB Nc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 1749009 JRRLCPDYMGQZKQ-UHFFFAOYSA-N 288.303 3.025 5 40 CGBB O=[N+]([O-])c1ccc(OCC[C@@H]2CCCCN2)c(Cl)c1 42774235 YVXGGQZGEAHKMV-JTQLQIEISA-N 284.743 3.159 5 40 CGBB CCOc1cc(OCC)c(OCC)cc1/C=C/[N+](=O)[O-] 1735308 ZEQPKKCOKRKBRN-BQYQJAHWSA-N 281.308 3.130 5 40 CGBB CC[N+](C)(C)C[C@H]1CCCC[C@]1(O)c1cccc(OC)c1 1322743 RJAROMXLRSTRGU-AEFFLSMTSA-N 292.443 3.169 5 40 CGBB biogenic Cc1cccc(COc2ccc([N+](=O)[O-])cc2C=O)c1 556282 HQFTVIZFWDNVQY-UHFFFAOYSA-N 271.272 3.295 5 40 CGBB Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])s2)cc1 9914031 CTXOAIHSVNSZGO-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1onc(C)c1C 1751425 LXELYMZPYHXJCQ-UHFFFAOYSA-N 290.279 3.152 5 40 CGBB CC(C)[N+](C)(C)C[C@H](O)COc1ccc2ccccc2c1 307847 CJHVSQGLLNAXIL-KRWDZBQOSA-N 288.411 3.064 5 40 CGBB O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)nc1 49390952 VNCACLUQLXXORD-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB CCN(CC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 34990110 WXVMGNJAEVZWGJ-UHFFFAOYSA-N 284.315 3.304 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 152853 NHPUDKLPCIIKNM-UHFFFAOYSA-N 275.235 3.125 5 40 CGBB COc1ccccc1C[C@@H](C)Nc1ncccc1[N+](=O)[O-] 48300840 REXBSUOUYFCXQE-LLVKDONJSA-N 287.319 3.042 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)cc(Br)c1O 35588669 MPBXDOKYQAZNPP-UHFFFAOYSA-N 286.003 3.082 5 40 CGBB O=[N+]([O-])c1cccc(OC(Cl)(Cl)Cl)c1 95215533 ODJGAIUJOJLKRQ-UHFFFAOYSA-N 256.472 3.301 5 40 CGBB O=C(NC1CCCCCCC1)c1cccc([N+](=O)[O-])c1 3093817 WXKKIBCZCKZBNN-UHFFFAOYSA-N 276.336 3.438 5 40 CGBB O=C(O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1 44381569 CGCOHDGCNCKNQP-UHFFFAOYSA-N 277.207 3.224 5 40 CGBB in-vitro CC(=O)c1ccc(NCCC(C)C)c([N+](=O)[O-])c1 60038950 RTYWRSKTOZOGBD-UHFFFAOYSA-N 250.298 3.255 5 40 CGBB CN(C)C(=S)Nc1cc2cccnc2c2cccnc12 408978066 XZRZFDPBNOIJLC-UHFFFAOYSA-N 282.372 3.041 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccc3F)c2c1 72226537 OPSJPVJIGXOWNX-UHFFFAOYSA-N 287.250 3.189 5 40 CGBB CC(C)Oc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225284418 DHNBWYSCZRAKRX-UHFFFAOYSA-N 281.308 3.378 5 40 CGBB CCCCCC(=S)n1nnc2ccc([N+](=O)[O-])cc21 15783431 PUUFFWRRQOGAHS-UHFFFAOYSA-N 278.337 3.095 5 40 CGBB in-vitro CC(C)=CCC/C(C)=C/Cn1cc([N+](=O)[O-])ccc1=O 1615062 UWLGSIIWTHSJJC-UKTHLTGXSA-N 276.336 3.449 5 40 CGBB O=C(CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 1744648 QNMJTXJJZVGMLU-UHFFFAOYSA-N 276.336 3.044 5 40 CGBB COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N+](C)([O-])CC3 4416216 ZIZQARJISFQDMO-BIMIXXMJSA-N 287.403 3.396 5 40 CGBB in-vitro O=C(c1ccc([N+](=O)[O-])s1)N1CCCc2ccccc21 3446652 CRNAMWRNIVCQDL-UHFFFAOYSA-N 288.328 3.249 5 40 CGBB O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 5442872 IRICJGWSFQWTSX-INIZCTEOSA-N 296.326 3.402 5 40 CGBB O=[N+]([O-])C[C@@H](O)c1c2ccccc2cc2ccccc12 55280 XOYZLOPKVJKYKI-OAHLLOKOSA-N 267.284 3.303 5 40 CGBB O=[N+]([O-])c1ccc(SN2[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 1563802 LMJIHHSPEGLNNJ-NXEZZACHSA-N 295.320 3.137 5 40 CGBB COc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccn1 23043511 BXTSIKCKYLAPMU-UHFFFAOYSA-N 293.710 3.264 5 40 CGBB C=C=CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 9614812 UTDWUTGSKNWGBZ-UHFFFAOYSA-N 261.262 3.036 5 40 CGBB C[C@@H](O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 48894413 BQVKIETUUDTDBK-LLVKDONJSA-N 272.304 3.260 5 40 CGBB CC(C)NC(=O)Nc1cc2ncccc2c2cccnc12 5977088 ZDQSLESFJPBZCG-UHFFFAOYSA-N 280.331 3.313 5 40 CGBB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 14258189 XGFKRGVXQRIHAK-JXMROGBWSA-N 298.298 3.255 5 40 CGBB CCc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 6870937 DTYUDAXTKUTGHS-UHFFFAOYSA-N 299.374 3.359 5 40 CGBB CN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 24927909 AOCNPMYBNZKYAU-UHFFFAOYSA-N 297.270 3.013 5 40 CGBB C[C@H](c1ccccc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] 13010571 UAQNBWDWDAFHPT-CYBMUJFWSA-N 298.342 3.357 5 40 CGBB COC[C@@H](C)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 7763433 ONPRKVKOMPPDKH-SECBINFHSA-N 293.348 3.165 5 40 CGBB Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 26755578 DHKIWJGUYSVQLM-CYBMUJFWSA-N 298.342 3.437 5 40 CGBB CC(C)(C)OC(=O)CSc1ccccc1[N+](=O)[O-] 72184 TXVBTUAHOQXECZ-UHFFFAOYSA-N 269.322 3.029 5 40 CGBB C[C@@H](CC(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 4696152 NRMXUVXZYCBQRM-VIFPVBQESA-N 291.332 3.184 5 40 CGBB COc1ccc(CSCc2cc(C)no2)cc1[N+](=O)[O-] 78555615 SEFXSUQBCWJANJ-UHFFFAOYSA-N 294.332 3.333 5 40 CGBB O=c1c2ccccc2oc2nc3cc(Cl)ccc3n12 13212079 RRFDPCGXWYWKHE-UHFFFAOYSA-N 270.675 3.247 5 40 CGBB O=C(O)/C=C/c1coc2c(ccc3ccccc32)c1=O 549003 KARMBXUYTZGNML-SOFGYWHQSA-N 266.252 3.044 5 40 CGBB Cc1ccc(-c2cc(N)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 59488287 XGEOSWVTHPGVST-UHFFFAOYSA-N 294.314 3.338 5 40 CGBB O=[N+]([O-])c1ccc(OCC[C@H]2CCCNC2)c(Cl)c1 42774231 XCTQWLFORJWVPJ-SNVBAGLBSA-N 284.743 3.017 5 40 CGBB COc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 54886581 DUGUFKGDHADWBV-OAHLLOKOSA-N 299.330 3.340 5 40 CGBB CC(C)(C)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 67799198 RNMRUENHTUHHSL-UHFFFAOYSA-N 259.309 3.137 5 40 CGBB Cc1c(COc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 40116329 QBCKZBWIPRSNDE-UHFFFAOYSA-N 288.259 3.390 5 40 CGBB Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 8777228 ODDGUQCFZVNRCL-UHFFFAOYSA-N 282.299 3.106 5 40 CGBB O=[N+]([O-])/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408778529 GUSKQZYIJLHRHI-BQYQJAHWSA-N 287.231 3.030 5 40 CGBB Cc1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1556186 LCKRORGYYJXFLR-UHFFFAOYSA-N 286.243 3.042 5 40 CGBB Cc1ccc(Sc2nnc(C(F)F)[nH]2)c([N+](=O)[O-])c1 216903974 LRSKMENAGBJANP-UHFFFAOYSA-N 286.263 3.110 5 40 CGBB Nc1c(Cl)cc(Br)c(Cl)c1[N+](=O)[O-] 71782764 VVSWJHKHLZPWTR-UHFFFAOYSA-N 285.912 3.246 5 40 CGBB Cc1ccn2c(C=O)c(-c3ccc(C)c([N+](=O)[O-])c3)nc2c1 36138722 CFRSKULTRCJIEY-UHFFFAOYSA-N 295.298 3.339 5 40 CGBB CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 35325906 NKLNPNOXELYNQW-UHFFFAOYSA-N 286.287 3.115 5 40 CGBB O=[N+]([O-])c1ccc(OCCN2CCCCC2)c(Cl)c1 95836813 LGXVFIOYPCUSRF-UHFFFAOYSA-N 284.743 3.113 5 40 CGBB OC[C@@H]1CCC[N+]2(C/C=C/c3ccccc3)CCCC[C@H]12 4083639 DQDGHVIJYQKOOP-WCVGHQMJSA-N 286.439 3.471 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1NCCNc1ccccn1 48381281 HWIWFPGXEYSKGD-UHFFFAOYSA-N 292.726 3.167 5 40 CGBB CC(=O)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1705937 HCAWUAVXQVECAL-UHFFFAOYSA-N 253.257 3.369 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 8314377 HTTWICUUJMRSMF-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB COc1ccc(Cl)cc1COc1cccnc1[N+](=O)[O-] 7202627 QCXYOBZRGCMNIH-UHFFFAOYSA-N 294.694 3.231 5 40 CGBB Cc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] 9426495 URPRWDZCVJTYHP-LBPRGKRZSA-N 296.326 3.495 5 40 CGBB COc1ccc2ccc(OC)c(/C=C\[N+](=O)[O-])c2c1 33554120 UEGPKYYDLSJMDF-FPLPWBNLSA-N 259.261 3.104 5 40 CGBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2)c(OC)c1 35018425 YBOVCLIDJHBPEZ-UHFFFAOYSA-N 288.303 3.224 5 40 CGBB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 13596332 TYEQNZMLXOTUHL-LLVKDONJSA-N 282.299 3.186 5 40 CGBB Cc1c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] 5532735 MHPFATJYHJRMDZ-QWRGUYRKSA-N 276.336 3.306 5 40 CGBB Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 3554492 BDSVNPABPVZMCW-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1 96006431 FHFBZHNSQHELGK-UHFFFAOYSA-N 276.267 3.325 5 40 CGBB CCC(CC)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 9513443 LQAAQNGEANIYTF-UHFFFAOYSA-N 270.716 3.167 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Cl 263422 DYTPLSGORPKJIV-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB O=[N+]([O-])c1ccc(Cc2nc(-c3ccccc3)no2)cc1 3298783 LDYRNSQNNJWSHN-UHFFFAOYSA-N 281.271 3.236 5 40 CGBB CC(C)(C)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 67799785 FWSDQBCSFOBBHF-UHFFFAOYSA-N 259.309 3.137 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1N1CCCc2ccccc21 20303921 GYPWXXQLSQJLHV-UHFFFAOYSA-N 282.299 3.492 5 40 CGBB C[C@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 76061019 QLEPDXUDPMKCLX-CHWSQXEVSA-N 284.743 3.211 5 40 CGBB C[C@@H]1CCCCN1c1cc(N)c(Cl)cc1[N+](=O)[O-] 45891159 PSINEPAIUQPMJD-MRVPVSSYSA-N 269.732 3.209 5 40 CGBB Cc1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 5794108 OIKYYTCVSOMKIH-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB CSc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] 3553752 RHOOUJXORVOTOG-UHFFFAOYSA-N 294.376 3.379 5 40 CGBB CCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4151047 QYBCNBCBFIMDLB-UHFFFAOYSA-N 270.716 3.168 5 40 CGBB CC(C)Nc1cc(Br)c(F)cc1[N+](=O)[O-] 71654898 UATGSGHCCBPEKS-UHFFFAOYSA-N 277.093 3.317 5 40 CGBB C[C@H](OC(=O)c1ccncc1F)c1ccc([N+](=O)[O-])cc1 74719006 OKLPGLSMJCHFTE-VIFPVBQESA-N 290.250 3.047 5 40 CGBB O=C(c1ccccc1[N+](=O)[O-])c1c[nH]c2ccc(F)cc12 199720782 QDETVWJLHAZNOQ-UHFFFAOYSA-N 284.246 3.446 5 40 CGBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 8168216 GHDHBDATSMEEHG-LBPRGKRZSA-N 284.315 3.128 5 40 CGBB COc1cccc(CNc2ccccc2[N+](=O)[O-])c1 4904917 UYFSQBCZXCTYAV-UHFFFAOYSA-N 258.277 3.216 5 40 CGBB Nc1cc(Cl)c([N+](=O)[O-])cc1COc1ccccc1 5257053 PJLWBOMLVMDHKC-UHFFFAOYSA-N 278.695 3.409 5 40 CGBB Cc1c(Cl)cc(-c2ccc(CO)o2)cc1[N+](=O)[O-] 26508635 FRLMJTZWHYYYPE-UHFFFAOYSA-N 267.668 3.309 5 40 CGBB O=[N+]([O-])c1ccc(NCc2coc(-c3ccccc3)n2)nc1 78341008 SZJSBNXQVZSYOA-UHFFFAOYSA-N 296.286 3.257 5 40 CGBB Cc1c(C(=O)NC[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 15745057 VYRDZHNKYQAAQB-LBPRGKRZSA-N 298.342 3.437 5 40 CGBB c1cc[n+]2cc3ccc4c[n+]5ccccc5cc4c3cc2c1 1713660 NQKINTGSBOKSRU-UHFFFAOYSA-N 282.346 3.470 5 40 CGBB O=C(NCCSC1CCCC1)c1ccc([N+](=O)[O-])cc1 25245452 ARIAQHQTBZFGSR-UHFFFAOYSA-N 294.376 3.000 5 40 CGBB O=C(O)c1ccc(Nc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 3913767 VCKODVCSCULQLJ-UHFFFAOYSA-N 294.213 3.315 5 40 CGBB Cc1ccc(C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] 9366258 YVMDMNPFUGJNRB-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB O=C(Nc1cc2ccncc2c2ncccc12)N1CCCC1 408975276 LQOBXVURBSUAMG-UHFFFAOYSA-N 292.342 3.411 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccccc2F)nc1 159727802 SDXMBCAUJCCKRV-UHFFFAOYSA-N 264.281 3.421 5 40 CGBB CC[N+](CC)=c1scc(-c2ccc([N+](=O)[O-])cc2)s1 265644 WTBNJLPUPKWACP-UHFFFAOYSA-N 295.409 3.197 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C 36382471 VUNUMPILDLJMQW-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB Cc1c(C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-] 12687257 ZUWRFIMXJXFKAM-UHFFFAOYSA-N 276.336 3.213 5 40 CGBB CCC(CC)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5454704 NDCPLZNMWUWDBD-UHFFFAOYSA-N 254.261 3.109 5 40 CGBB Cc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 130354341 QRIRGEUNBRVEPV-UHFFFAOYSA-N 287.319 3.056 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 250238 GRXXJCZPIZCZRU-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB O=[N+]([O-])c1ccccc1[C@@H]1[C@H](F)[C@H](F)C[C@H](F)[C@@H]1F 100758789 HQFPSBTUJFRBOM-SNRIVNOESA-N 277.217 3.435 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 4948755 QZELHFGIUXYGMR-UHFFFAOYSA-N 288.328 3.397 5 40 CGBB COc1cc([N+](=O)[O-])c(OC)c2c(C)cc(Cl)nc12 15107292 BTXLKFYUVVCBMC-UHFFFAOYSA-N 282.683 3.122 5 40 CGBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1Cl 72334149 DWMBAWUDCUTPIE-UHFFFAOYSA-N 251.673 3.051 5 40 CGBB Cc1ccc(C)c([C@H](O)c2cccc([N+](=O)[O-])c2)c1 226291492 LMIKCQZLBOFURE-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB CCSC1(CNc2ccccc2[N+](=O)[O-])CCOCC1 96420999 UTMZLHMLJIJCCN-UHFFFAOYSA-N 296.392 3.309 5 40 CGBB O=C1CCCc2nccc(-c3ccc([N+](=O)[O-])cc3)c21 14163980 PVXDPNZDWYQYEI-UHFFFAOYSA-N 268.272 3.176 5 40 CGBB CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 58030248 DULFDHNXUKUWAY-UHFFFAOYSA-N 298.342 3.189 5 40 CGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1 24316702 GKGAOBJNEONCFJ-LBPRGKRZSA-N 294.332 3.376 5 40 CGBB CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cn1C 14199959 HXGZFTKCYORFGW-UHFFFAOYSA-N 287.319 3.056 5 40 CGBB CCN(CC)C(=O)Oc1cc([N+](=O)[O-])ccc1Cl 80768643 HHWOAFMUWLHLAJ-UHFFFAOYSA-N 272.688 3.089 5 40 CGBB CSCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 72290101 FQKFSCRZBLIEHO-UHFFFAOYSA-N 294.376 3.233 5 40 CGBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1)CCC2 4029147 FWQJGKVXIDRPGT-PZEDNMLSSA-N 288.411 3.253 5 40 CGBB CCc1c(C(C)C)[nH]c2ccc([N+](=O)[O-])cc2c1=O 685938252 NFINJNSPNYFFPI-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB Cn1/c(=N/c2ccccc2[N+](=O)[O-])sc2ccccc21 13222585 AAYJCJQOGBMCHQ-PFONDFGASA-N 285.328 3.380 5 40 CGBB Nc1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1 1749025 JSFWYEMAFQNZMO-UHFFFAOYSA-N 288.303 3.025 5 40 CGBB CCOC(=O)c1cccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1 2392597 QVMUGSVFXYKCDJ-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB COc1cc(C[N+](=O)[O-])ccc1OCc1ccccc1 4273392 WQIGLIDYGRTRKI-UHFFFAOYSA-N 273.288 3.051 5 40 CGBB biogenic CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 9816345 AEUGSYLVNNZXJJ-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 7036579 SIVRQVNESSBALE-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1COc1ccccc1F 72209197 UYCZOFDEOVIAHN-UHFFFAOYSA-N 291.234 3.011 5 40 CGBB CC1CCN(c2cc3sc(N)nc3cc2[N+](=O)[O-])CC1 20154707 JVTQTWXFXNJTDT-UHFFFAOYSA-N 292.364 3.023 5 40 CGBB O=C(O)/C=C/c1coc2ccc3ccccc3c2c1=O 5341139 IGLGSZGUPQJSTL-SOFGYWHQSA-N 266.252 3.044 5 40 CGBB CC(C)CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 40465494 XEEGICGVLXPVQF-NSHDSACASA-N 264.325 3.160 5 40 CGBB CN(C)C(=O)Sc1ccc([N+](=O)[O-])cc1Cl 1737200 RSKFTARZRDUNMI-UHFFFAOYSA-N 260.702 3.022 5 40 CGBB C[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C 4680567 VFAVJEWMCUMXJP-MISXGVKJSA-N 276.336 3.149 5 40 CGBB Cc1coc2cc3o/c(=N/N)c4ccccc4c3cc12 9477185 GJMKIUXBDDADIY-FBMGVBCBSA-N 264.284 3.415 5 40 CGBB O=[N+]([O-])c1ccc(NCCc2cccc3cccnc23)nc1 14813648 SSWUICKIWHEKAX-UHFFFAOYSA-N 294.314 3.193 5 40 CGBB Nc1ccc([N+](=O)[O-])c(NCCCCC(F)(F)F)c1 330032473 NTEQACUISPFDIN-UHFFFAOYSA-N 277.246 3.322 5 40 CGBB CCOc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1 3896291 GEPBHBOPAREGKK-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1 408545279 XHWMMJBTEGLRMH-TWGQIWQCSA-N 274.276 3.460 5 40 CGBB NC(=O)OCCc1c2ccccc2nc2ccccc12 5011424 RXOPXZUEEXUFCV-UHFFFAOYSA-N 266.300 3.026 5 40 CGBB Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1 3495167 CWRSPOBPORNUOW-UHFFFAOYSA-N 277.301 3.322 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCO[C@@H](C)C1 95458011 VMSRFJAESGQCHN-RYUDHWBXSA-N 264.325 3.130 5 40 CGBB COc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 5400590 QPPUHIBXHDDVBN-UHFFFAOYSA-N 269.260 3.147 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1NC1CCCCCC1 37387799 OXIAHVKYSRCYGG-UHFFFAOYSA-N 278.308 3.428 5 40 CGBB CCn1c2ccccc2c2nn3c(nc4ccccc43)nc21 533325 ZNSDKRHGKCBEHI-UHFFFAOYSA-N 287.326 3.405 5 40 CGBB O=[N+]([O-])c1ccnn1Cc1c(Cl)cccc1Cl 48706000 LASSWPLBYAMWPD-UHFFFAOYSA-N 272.091 3.146 5 40 CGBB O=[N+]([O-])c1ccc(SC(F)(F)F)c([N+](=O)[O-])c1 36450509 XTQZEQBXLBKXHX-UHFFFAOYSA-N 268.172 3.115 5 40 CGBB O=c1[nH]c2c(Br)cccc2c2ccccc12 16926727 QNKQTSNHMBOBFI-UHFFFAOYSA-N 274.117 3.444 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc3ccccc3nc2c1 4491498 KTLYTJKMYQFECQ-UHFFFAOYSA-N 269.216 3.204 5 40 CGBB C[C@@H]1OC(c2c(Cl)cccc2[N+](=O)[O-])O[C@H]1C 1591135 KQYZVALQCRXSTA-BQBZGAKWSA-N 257.673 3.071 5 40 CGBB CN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CCCCCC1 22807487 WFEHOPMKSUHSCO-UHFFFAOYSA-N 292.383 3.056 5 40 CGBB C[C@@H](O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 53601902 JTGUKKOAWABARD-SNVBAGLBSA-N 290.294 3.399 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(F)c1 4150571 NLUINASLRWXXCF-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB O=[N+]([O-])c1cnn(COc2cc(Cl)ccc2Cl)c1 72334161 VSXWSRSZLLTROC-UHFFFAOYSA-N 288.090 3.135 5 40 CGBB O=C1CCCC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800357 WTKHCNWRUMTYFS-SECBINFHSA-N 253.685 3.475 5 40 CGBB Cc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 6338994 HUAJYCBZXJMYQD-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Cc1noc(/C=C/Nc2ccc(F)cc2F)c1[N+](=O)[O-] 100151913 WVZZHZDFKZVJES-SNAWJCMRSA-N 281.218 3.252 5 40 CGBB Oc1cccc2nc3ccc(Br)cc3nc12 76495069 QJJZNHURFGGERY-UHFFFAOYSA-N 275.105 3.251 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2c1 45028947 BJEGACKRKNTXPW-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 40169533 OBLZQYLLCOLAIN-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB C[C@@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40150048 XNKSAFXXNIRYIJ-JTQLQIEISA-N 289.335 3.390 5 40 CGBB C[C@@H](Sc1nncs1)c1cccc([N+](=O)[O-])c1 7815975 ZWTRZDUZXYJUBJ-SSDOTTSWSA-N 267.335 3.300 5 40 CGBB CC[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 373115 AHMQEOKUCDUMMS-SSDOTTSWSA-N 256.689 3.233 5 40 CGBB O=[N+]([O-])c1ccccc1S(=O)(=O)/C=C\c1ccccc1 8628615 MDXGEXNIMDOEHQ-KHPPLWFESA-N 289.312 3.039 5 40 CGBB COCCn1c(C)c(C)c2c1ncn1c3ccccc3nc21 6665110 YZDKHLWVIFQQGF-UHFFFAOYSA-N 294.358 3.100 5 40 CGBB COc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1Cl 256054458 WIQJMZOUOLYTCF-UHFFFAOYSA-N 273.075 3.458 5 40 CGBB C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 43855 RGCYEVNRTAUMIZ-LBPRGKRZSA-N 284.315 3.128 5 40 CGBB O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)nc1 32871924 IVFQJPLXKJVMKK-UHFFFAOYSA-N 269.304 3.134 5 40 CGBB CCc1ccc(NC(=O)c2ccco2)cc1[N+](=O)[O-] 27318286 UGMMLADYLWCTJO-UHFFFAOYSA-N 260.249 3.003 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 5776377 WPQIZPDOIZGDGQ-JXMROGBWSA-N 294.310 3.197 5 40 CGBB Cc1nnc([C@@H](C)Oc2ccc([N+](=O)[O-])c(Cl)c2)o1 96428864 AKQOEUKJEDQYOH-ZCFIWIBFSA-N 283.671 3.080 5 40 CGBB CCc1ccc(NC(=O)[C@@H](C)CC)cc1[N+](=O)[O-] 27311012 GPINTXPRGDAKQX-VIFPVBQESA-N 250.298 3.142 5 40 CGBB COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 6407929 SEHBBZWCARMWMG-UHFFFAOYSA-N 287.275 3.247 5 40 CGBB O=[N+]([O-])c1ccccc1CN(CCc1ccncc1)C1CC1 95432401 ZTADBIGLDLRBJC-UHFFFAOYSA-N 297.358 3.197 5 40 CGBB O=[N+]([O-])c1ccc(C[S@](=O)Cc2ccccc2)cc1 1712054 QXCMIJOWNYUJSB-IBGZPJMESA-N 275.329 3.044 5 40 CGBB in-vitro O=[N+]([O-])c1ccc(C2=COc3ccccc3O2)cc1 3190045 OLFDQUNVCWPSBA-UHFFFAOYSA-N 255.229 3.365 5 40 CGBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC1 7489920 NYGJHTBBSZGHJU-UHFFFAOYSA-N 297.310 3.370 5 40 CGBB O=[N+]([O-])c1ccc(OCc2cc(-c3ccco3)on2)cc1 7889733 GPIDDYXNQJTUJW-UHFFFAOYSA-N 286.243 3.422 5 40 CGBB C[n+]1ccccc1/C=C/c1cc([N+](=O)[O-])ccc1Cl 5211969 FTVXLSLKTNUYLF-AATRIKPKSA-N 275.715 3.243 5 40 CGBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccco1 239472 CFGJVNORMJDLID-GFCCVEGCSA-N 270.288 3.478 5 40 CGBB COc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 17356748 PJSJFWXAFFVXNN-UHFFFAOYSA-N 292.335 3.008 5 40 CGBB CCCNC(=O)Nc1cc2ncccc2c2cccnc12 408975025 IQLWQRPCCHPYOI-UHFFFAOYSA-N 280.331 3.315 5 40 CGBB COc1ccc(Cn2cc3cc([N+](=O)[O-])ccc3n2)cc1 95629668 XOUOLGVSXMAVTP-UHFFFAOYSA-N 283.287 3.001 5 40 CGBB Cc1cccn2cc(COc3cccc([N+](=O)[O-])c3)nc12 125931 CPOAKCPFMSPSNA-UHFFFAOYSA-N 283.287 3.130 5 40 CGBB C[C@@]1(O)CC[N+](Cc2ccccc2)(Cc2ccccc2)O1 59366692 PCPHCAIWMNZQSI-SFHVURJKSA-N 284.379 3.247 5 40 CGBB CC(=O)Nc1ccccc1-c1ccc([N+](=O)[O-])cc1 1873172 ROUICBNLSUUKKX-UHFFFAOYSA-N 256.261 3.220 5 40 CGBB CN1[C@@H]2CCCC[C@@H]1[C@H](CC[N+](C)(C)C)CCC2 71785334 RPCGKTNVLRSHRQ-ARFHVFGLSA-N 253.454 3.126 5 40 CGBB Cc1ccc(-c2nc3sccn3c2C=O)cc1[N+](=O)[O-] 36138727 BPTROSHIBDUYMJ-UHFFFAOYSA-N 287.300 3.092 5 40 CGBB CC(C)N(Cc1ccccc1)c1ncccc1[N+](=O)[O-] 85340235 WKAPYTLIBTWIBJ-UHFFFAOYSA-N 271.320 3.405 5 40 CGBB CC(C)NC(=O)Nc1cc2cccnc2c2ncccc12 6307045 RGKSIYWCRNBJBT-UHFFFAOYSA-N 280.331 3.313 5 40 CGBB O=[N+]([O-])c1ccc2ncnc(NCc3ccccc3)c2c1 13743125 MUFPYUMPKFPPPJ-UHFFFAOYSA-N 280.287 3.150 5 40 CGBB COc1ccc2c(c1)C[C@H](c1ccc([N+](=O)[O-])cc1)OC2=O 3847768 XZZBLLNQLNVZEE-OAHLLOKOSA-N 299.282 3.058 5 40 CGBB biogenic COc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 176421 MLROXJBOMDEEPY-UHFFFAOYSA-N 297.270 3.320 5 40 CGBB CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1F 4524489 WBJZVHVCTRFJAW-UHFFFAOYSA-N 254.261 3.109 5 40 CGBB COc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C)CC1 45886381 YRAQXEXJQSINQB-UHFFFAOYSA-N 284.743 3.493 5 40 CGBB CN(C)C(=S)Nc1cc2ccncc2c2ncccc12 408973764 BNACFCGQELUNSQ-UHFFFAOYSA-N 282.372 3.041 5 40 CGBB Cc1cccc(OCc2ccc([N+](=O)[O-])cc2C(=O)O)c1 72209195 BIHLMTUJKZLVDT-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccccc1 45888387 GCAYVRDVINBFGL-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+]1(C)CCCC1 252505289 JQBVARXKZLIYPH-TVFCKZIOSA-N 298.491 3.065 5 40 CGBB Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 240689 GWVIFOHQEXMOTI-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=Cc1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 16525113 LTRMSKWJKSWUMA-UHFFFAOYSA-N 299.311 3.435 5 40 CGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 22595004 GAPHCKPJFQNGOW-SNVBAGLBSA-N 294.376 3.134 5 40 CGBB CC(C)(C)CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-] 57156193 AMFIGDHVMQFILR-UHFFFAOYSA-N 292.379 3.468 5 40 CGBB CCCCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 2100870 WULMLPCVSICMKH-NSHDSACASA-N 264.325 3.293 5 40 CGBB CCc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 9468685 FBCROSFOJSEODI-OAHLLOKOSA-N 297.314 3.011 5 40 CGBB COc1ccc([C@H](C[N+](C)(C)[O-])C2(O)CCCCC2)cc1 43201724 LASJEFFANGIOGZ-INIZCTEOSA-N 293.407 3.048 5 40 CGBB COc1cccc2c(Cl)c([N+](=O)[O-])c(Cl)nc12 95098217 DOJKZECGRKFXMI-UHFFFAOYSA-N 273.075 3.458 5 40 CGBB O=[N+]([O-])[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-] 13407084 QRFGNIXDMFSDQA-OKILXGFUSA-N 272.260 3.022 5 40 CGBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl 259770 QGSZIZJTVADYBR-UHFFFAOYSA-N 296.666 3.102 5 40 CGBB Cc1occc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 7781171 VCECJSUJFXTPCE-UHFFFAOYSA-N 271.232 3.213 5 40 CGBB Cc1cc(C(F)(F)F)[nH]c2nc(=O)c3ccccc3c1-2 12610356 DRKNNRNHSWAINH-UHFFFAOYSA-N 278.233 3.355 5 40 CGBB in-vitro COc1c(F)cc(Nc2ncccc2[N+](=O)[O-])cc1F 48374363 MPLHHGQCDRYYJW-UHFFFAOYSA-N 281.218 3.020 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccnc1 72228752 OULZKYJULVOWGF-UHFFFAOYSA-N 285.303 3.113 5 40 CGBB O=C1O[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 40476884 YQYCYTOAAABOMH-CYBMUJFWSA-N 288.234 3.015 5 40 CGBB C[N@+]1([O-])CCO[C@@H](c2ccccc2)c2ccccc2C1 255961776 ADOSMCNCNFMWSW-ROUUACIJSA-N 269.344 3.251 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1F 22145998 LOBVWUFFCWIUDD-UHFFFAOYSA-N 276.223 3.176 5 40 CGBB CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 14188527 URLOVNUGWPHIKN-UHFFFAOYSA-N 282.727 3.263 5 40 CGBB CCOP(=O)(OCC)Oc1cccc([N+](=O)[O-])c1 32153517 VXPBWHFHOQMMHT-UHFFFAOYSA-N 275.197 3.155 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105836983 UBCQEAQWETXMQV-MPXAEWJHSA-N 288.347 3.149 5 40 CGBB Cc1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 45886730 XYWZUXQXLUANBJ-JTQLQIEISA-N 279.296 3.190 5 40 CGBB CCCn1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 97037986 ZQAJWEFOYLUKRV-NSHDSACASA-N 274.324 3.374 5 40 CGBB COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\c1ccccc1 33429887 UMGOEORPARBPSA-YFHOEESVSA-N 298.298 3.255 5 40 CGBB O=[N+]([O-])C[C@H](O)c1c2ccccc2cc2ccccc12 55281 XOYZLOPKVJKYKI-HNNXBMFYSA-N 267.284 3.303 5 40 CGBB C[N+](C)(C)CC[N+](C)(C)Cc1cccc2ccccc12 1569175 KSOUOQKHWWWLOB-UHFFFAOYSA-N 272.436 3.122 5 40 CGBB O=c1c2c(=O)c3cccc4cccc(c=2c2ccccc12)c43 1294469 ALLDARTXMQFRKU-UHFFFAOYSA-N 282.298 3.467 5 40 CGBB Cn1nc([N+](=O)[O-])nc1Oc1ccccc1-c1ccccc1 1441902 XJFFSGBZGHCMAG-UHFFFAOYSA-N 296.286 3.183 5 40 CGBB O=[N+]([O-])c1c(Br)cccc1C(F)F 238702002 CGYYOHUQJXSFPV-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB Cc1ccc(-n2nc(C)c(-c3ccccc3)n2)cc1[N+](=O)[O-] 255187349 CXJKBDULSUEVAS-UHFFFAOYSA-N 294.314 3.459 5 40 CGBB Cc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1 6272397 NHWKSGIAFXMLOC-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=[N+]([O-])[C@H]1CCC[C@@H](C2=CS[C@@H]3CCCC[C@H]3N2)C1 5328188 GESRXNOUXNOQGC-GFQSEFKGSA-N 282.409 3.311 5 40 CGBB CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 9376784 XFYLGPKCTMWXBH-UHFFFAOYSA-N 274.251 3.011 5 40 CGBB C[C@@H](c1ncc(-c2ccccc2)o1)n1cc([N+](=O)[O-])cn1 97048015 GVVWDHOREBGQHL-JTQLQIEISA-N 284.275 3.056 5 40 CGBB COc1ccccc1/C=C/c1onc(C)c1[N+](=O)[O-] 33431504 QRDFNIVYTDSVQX-BQYQJAHWSA-N 260.249 3.070 5 40 CGBB O=[N+]([O-])c1cccc(Oc2nc(Cl)ncc2Cl)c1 93799486 SEGZIOXGXFJLHD-UHFFFAOYSA-N 286.074 3.484 5 40 CGBB O=[N+]([O-])c1ccc2nc([C@H](F)C(F)(F)F)[nH]c2c1 72265955 ZVTHOKZXGQYNIT-ZETCQYMHSA-N 263.150 3.044 5 40 CGBB O=[N+]([O-])c1cccc(C2OCC3(CO2)C[C@H]2C=C[C@@H]3C2)c1 3852116 JKNFZNJCPQALQA-VZVMWQMNSA-N 287.315 3.223 5 40 CGBB CCc1ccc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)o1 25256443 QKGRAFIBJFEMNB-UHFFFAOYSA-N 288.303 3.022 5 40 CGBB O=[N+]([O-])c1cccnc1Oc1cc(F)ccc1F 78445742 OUHDWOYBIGLEIT-UHFFFAOYSA-N 252.176 3.060 5 40 CGBB Cc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 226291472 QHBHNUSXBSMPDK-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 6376117 DWNVVZJSPFJIFE-UHFFFAOYSA-N 298.342 3.484 5 40 CGBB COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1OC 57339874 CFQMBUYEYRFWBQ-UHFFFAOYSA-N 287.271 3.057 5 40 CGBB O=c1c2ccccc2oc2nc(-c3ccncc3)ccc12 1395748 IRGDPNGNWXDQBP-UHFFFAOYSA-N 274.279 3.403 5 40 CGBB Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 25836720 DYCNTPVZWURNGY-LBPRGKRZSA-N 299.330 3.131 5 40 CGBB CC(C)(C)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 3260010 HSPNENMCZUFYGN-UHFFFAOYSA-N 299.710 3.020 5 40 CGBB O=[N+]([O-])c1ccc2nc(O)c(-c3ccccc3)c(O)c2c1 36185238 FHJYCGCXAYLWFD-UHFFFAOYSA-N 282.255 3.221 5 40 CGBB in-vivo O=[N+]([O-])c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 91252298 DKCNPCFJMKMXAB-ZETCQYMHSA-N 289.131 3.467 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1 5390796 KGVPCBOLRPIXEB-UHFFFAOYSA-N 291.238 3.254 5 40 CGBB CC(C)Oc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC(C)C 3882247 ZBBIUMBWEGITOV-UHFFFAOYSA-N 284.268 3.077 5 40 CGBB Cc1ccccc1CN1CCc2cc([N+](=O)[O-])ccc21 8427997 SEHGBIVLTONGKX-UHFFFAOYSA-N 268.316 3.466 5 40 CGBB O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)cc1Cl 72280386 JWRJKWIPRQECDV-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB CN(C)CCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 83851146 IOYGNARXTOHCBJ-UHFFFAOYSA-N 294.298 3.267 5 40 CGBB O=C(OCc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] 64877833 SGLGSRBPTBQAFK-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB CC(C)=CCC/C(C)=C\Cn1cc([N+](=O)[O-])ccc1=O 16981633 UWLGSIIWTHSJJC-LCYFTJDESA-N 276.336 3.449 5 40 CGBB CC[N+](C)(CC[N+](C)(C)C)Cc1cc2ccccc2o1 306518 REFUJEKPQBBTHZ-UHFFFAOYSA-N 276.424 3.106 5 40 CGBB O=c1ccc([N+](=O)[O-])cn1Cc1ccc(Cl)cc1Cl 12791628 FUWCGBGQYHEDHF-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB Cc1occc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 24981008 SQPQIHGQEFLXDN-SNVBAGLBSA-N 288.303 3.329 5 40 CGBB Cc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 3196427 ZVWJYVQUKLSDPI-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4028599 AOILQXDETFRWHF-BTPDTDQASA-N 268.421 3.129 5 40 CGBB CCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1C 3959373 GJQTUSZITBQKKP-UHFFFAOYSA-N 252.270 3.252 5 40 CGBB CC(=O)c1cc(N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] 8762666 BHOBIHHOXKMPIG-SNVBAGLBSA-N 262.309 3.034 5 40 CGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 6220415 CGKKEZCIVIQVEF-VIFPVBQESA-N 276.317 3.147 5 40 CGBB O=[N+]([O-])c1cnn(Cc2ccccc2Oc2cccnc2)c1 77932048 WGUJQYCAKWXDMJ-UHFFFAOYSA-N 296.286 3.027 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C 1751420 NBISHTWEXSTERI-NSHDSACASA-N 277.324 3.310 5 40 CGBB CC(=O)c1c([N+](=O)[O-])cc(C(C)(C)C)c([N+](=O)[O-])c1C 4964209 NIMVOFSAUVWQFE-UHFFFAOYSA-N 280.280 3.312 5 40 CGBB C[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 42109351 DEKFZVUQSXJZAS-NSHDSACASA-N 271.320 3.379 5 40 CGBB CC(C)(C)OC(=O)Nc1cn(C2CCCC2)nc1[N+](=O)[O-] 1548918959 XAMYMEMJZXNSHN-UHFFFAOYSA-N 296.327 3.253 5 40 CGBB COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1ccccc1C 169801313 AGQXTPCOZSGARY-OAHLLOKOSA-N 285.299 3.208 5 40 CGBB O=[N+]([O-])c1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 1738554 ISIFPROLMLZVQO-UHFFFAOYSA-N 277.283 3.487 5 40 CGBB CC(=O)Nc1cc(NCCC(C)C)c(F)cc1[N+](=O)[O-] 32779091 CHCNQJZUDDWARP-UHFFFAOYSA-N 283.303 3.150 5 40 CGBB CC(C)=CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 25829621 NGCMJSDAWWCEPT-NSHDSACASA-N 262.309 3.080 5 40 CGBB CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl 35333424 HTXVBGDRUBBSBH-UHFFFAOYSA-N 264.064 3.078 5 40 CGBB Cc1ccc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])cc1 354014 WVICXYCMBZEBGV-CCEZHUSRSA-N 281.267 3.268 5 40 CGBB CCNC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160191 OIVRYCQLOUYYQH-UHFFFAOYSA-N 284.724 3.213 5 40 CGBB O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ccccc32)cc1O 69591370 GUZNYMYDQGYXCB-CQSZACIVSA-N 284.315 3.078 5 40 CGBB C[C@@H]1CCC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1C(=O)O 20010718 WIKHCNAMNUVCAR-NXEZZACHSA-N 278.308 3.060 5 40 CGBB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[N+](=O)[O-] 4301184 ITEDJVUTGCMAGW-UHFFFAOYSA-N 286.335 3.079 5 40 CGBB Cc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 9503949 GXRZVFVUGFDIKW-UHFFFAOYSA-N 271.298 3.045 5 40 CGBB Cc1nc(N[C@@H](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] 96472185 OHHLBMPDNXQEHD-JQWIXIFHSA-N 279.340 3.058 5 40 CGBB CCc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 6605153 UUPLNIQFVRLCFN-UHFFFAOYSA-N 284.315 3.338 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 8286167 SNMCMSNJCUFVOA-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=[N+]([O-])c1ccc(C(=S)N2CCCCCC2)cc1 9188315 JYSQMNTXQONMGI-UHFFFAOYSA-N 264.350 3.146 5 40 CGBB O=C(O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-] 22163863 ZSNNELPPGKIDBW-UHFFFAOYSA-N 259.217 3.085 5 40 CGBB CN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1 10030085 UUIYFLBAAILKML-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB Cc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 3566319 JITQODJIYFNPJW-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB O=[N+]([O-])c1c(Oc2ccc(F)c(F)c2)nc2sccn12 8720231 PAFDNQACRMDVKN-UHFFFAOYSA-N 297.242 3.375 5 40 CGBB CC(=O)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 4344502 APZLKWCDZAPTTK-UHFFFAOYSA-N 296.326 3.360 5 40 CGBB COc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 793088 XOQUUEKXJRFABJ-UHFFFAOYSA-N 269.260 3.147 5 40 CGBB O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])s1 24974866 PSOMIAIKKXAHJH-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB CSc1ccc(C(=O)NCCC(C)C)cc1[N+](=O)[O-] 3553811 XSHCNQLYVLDEPY-UHFFFAOYSA-N 282.365 3.093 5 40 CGBB CC(C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 4545320 AWKHKYFSNUFTQA-YRNVUSSQSA-N 292.316 3.040 5 40 CGBB O=C(NCc1ccoc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 47705791 ZELAHZIDGCJASY-UHFFFAOYSA-N 295.682 3.163 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)nc(S)n2-c1ccc(F)cc1 3289657 RAPULFCSUNZDDB-UHFFFAOYSA-N 289.291 3.362 5 40 CGBB Cc1c(C(=O)N2[C@@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] 18118109 MHPFATJYHJRMDZ-PHIMTYICSA-N 276.336 3.306 5 40 CGBB Cc1cccc(Oc2ncc(Cl)cn2)c1[N+](=O)[O-] 95974615 QSXZPBRIOGEKBE-UHFFFAOYSA-N 265.656 3.139 5 40 CGBB CC(C)c1c(C2CC2)[nH]c2cccc([N+](=O)[O-])c2c1=O 685937993 GCGDCGLIHMXUCN-UHFFFAOYSA-N 272.304 3.437 5 40 CGBB O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1 1812 NWSQQZAVPSDJIB-ZZXKWVIFSA-N 259.217 3.056 5 40 CGBB in-man CC(C)O[P@@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 5381393 YSHVIWJFWCEDSQ-QGZVFWFLSA-N 259.198 3.222 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 2392552 CZEUNQYRHILGSZ-UHFFFAOYSA-N 261.664 3.479 5 40 CGBB Nc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5616544 HUIOHGOQSLHFHE-UHFFFAOYSA-N 291.694 3.083 5 40 CGBB Cc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 13647953 IPCLYVOJSXVMJN-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cccc3[nH]ccc23)nc1 34222687 XDHDOMMSPPUEJP-UHFFFAOYSA-N 255.233 3.263 5 40 CGBB COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 8567323 JICZNRHKLQRCIO-UHFFFAOYSA-N 269.260 3.147 5 40 CGBB CCC[n+]1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 226777964 IIDNRUMIEGOPEM-UHFFFAOYSA-N 284.295 3.101 5 40 CGBB Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(F)F 575441550 BGNICNLEWAAOFG-UHFFFAOYSA-N 253.208 3.027 5 40 CGBB Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C 59420 MNANCBZQVVYXHW-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccco2)nc1 13018778 RCGQNDJXAFDJOF-UHFFFAOYSA-N 299.286 3.383 5 40 CGBB COc1ccccc1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3913768 BIICCKPXLRXXQP-UHFFFAOYSA-N 288.259 3.045 5 40 CGBB biogenic O=C(Nc1ccccc1[N+](=O)[O-])C1=Cc2ccccc2OC1 5034230 RWSQLDXTSXATJO-UHFFFAOYSA-N 296.282 3.009 5 40 CGBB Cc1nn(C)c(N2CCC[C@@H]2CC(C)(C)C)c1[N+](=O)[O-] 78727491 AEVBXMVTJXSPGN-LLVKDONJSA-N 280.372 3.042 5 40 CGBB O=C(N1CCCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991469 AVXFJVZQSAZUGT-UHFFFAOYSA-N 288.347 3.029 5 40 CGBB Cc1cccc(C(=O)N(C)Cc2ccoc2C)c1[N+](=O)[O-] 55474320 HBEQHBXUBHQCFG-UHFFFAOYSA-N 288.303 3.077 5 40 CGBB C[C@]1(c2ccccc2)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]21 13608546 NNEFSNCOOGBWSC-UAGQMJEPSA-N 294.310 3.285 5 40 CGBB O=[N+]([O-])c1cc([S@](=O)c2ccccc2)ccc1Cl 371174 LIQQYWQEWFGIIR-SFHVURJKSA-N 281.720 3.415 5 40 CGBB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])o1 24664687 KEWJIRFTUSKIEK-UHFFFAOYSA-N 294.694 3.113 5 40 CGBB COc1ccccc1C[C@H](C)Nc1ncccc1[N+](=O)[O-] 48300838 REXBSUOUYFCXQE-NSHDSACASA-N 287.319 3.042 5 40 CGBB Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 5268102 KQKMWUHSXSOZBN-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB O=[N+]([O-])c1cnn(CCOc2ccc3ccccc3c2)c1 32827075 GSJXFONWBQINQX-UHFFFAOYSA-N 283.287 3.024 5 40 CGBB Cc1noc(C(C)C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 7915965 ALUHRZJVFWPOPB-UHFFFAOYSA-N 289.291 3.267 5 40 CGBB S=C(Nc1cc2ncccc2c2cccnc12)NC1CC1 104365629 QORXNDBJQFSSGZ-UHFFFAOYSA-N 294.383 3.232 5 40 CGBB COc1ccc(NC(=O)N2CCCCCC2)cc1[N+](=O)[O-] 96008050 RNVSLOADPIWGHN-UHFFFAOYSA-N 293.323 3.011 5 40 CGBB O=[N+]([O-])c1cc(CNc2cc(CO)ccc2Cl)cs1 96427502 NTURFCJVMXMYNX-UHFFFAOYSA-N 298.751 3.414 5 40 CGBB CCOC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 5461398 HYOGEKYPUMHAIH-UHFFFAOYSA-N 264.064 3.078 5 40 CGBB CC[N+](C)(C)C[C@H]1CCCC[C@@]1(O)c1cccc(OC)c1 488905 RJAROMXLRSTRGU-SJLPKXTDSA-N 292.443 3.169 5 40 CGBB biogenic CC(=O)Nc1cc2c3ccccc3n(C)c2cc1[N+](=O)[O-] 4823565 CWJHPQOJPCREFM-UHFFFAOYSA-N 283.287 3.198 5 40 CGBB O=[N+]([O-])/C=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 409208725 CVEKZHVLDKOPGW-UPHRSURJSA-N 263.036 3.149 5 40 CGBB Cc1cc([N+](=O)[O-])cnc1NCc1csc(C2CC2)n1 92653750 CDTIPPNVASPOEZ-UHFFFAOYSA-N 290.348 3.244 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCc3ccccc32)nc1 408546729 OEXAPRPSSIYVKZ-UHFFFAOYSA-N 255.277 3.074 5 40 CGBB CCN(C)c1cc(=O)c2c(ccc3ccccc32)o1 1566061 LCXWECVLOZERBH-UHFFFAOYSA-N 253.301 3.402 5 40 CGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1 216767505 KZKJLMJWFPHEIL-GHMZBOCLSA-N 264.325 3.086 5 40 CGBB O=[N+]([O-])C[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 5874304 SMVLNJXTOQQFDL-CQSZACIVSA-N 272.260 3.003 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl 2038655 SKKUAUZTZZRYPW-UHFFFAOYSA-N 252.613 3.310 5 40 CGBB Cc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 6339171 SUVLTRSTXHDWGD-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB CC(C)Cn1ccnc1CNc1cccc(F)c1[N+](=O)[O-] 95429646 GRIQAHZYWSNSGF-UHFFFAOYSA-N 292.314 3.199 5 40 CGBB COc1cc2c(cc1O)C[N@+](C)(Cc1ccccc1)CC2 245240241 OWVYOEQQPFZNMY-IBGZPJMESA-O 284.379 3.104 5 40 CGBB O=[N+]([O-])C[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 5874479 SMVLNJXTOQQFDL-AWEZNQCLSA-N 272.260 3.003 5 40 CGBB Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)c(C)c1 17281587 DQKWUOBOOYKOMT-UHFFFAOYSA-N 271.320 3.243 5 40 CGBB Cn1cnc([N+](=O)[O-])c1SCc1ccc(Cl)cc1 8308887 RGLPTNUXPUNTGU-UHFFFAOYSA-N 283.740 3.274 5 40 CGBB O=[N+]([O-])c1cccc(Br)c1OC(F)(F)F 95215561 OJAZYANPLPDFGY-UHFFFAOYSA-N 286.003 3.256 5 40 CGBB C/C(=C\C(=O)OCc1csc([N+](=O)[O-])c1)C1CC1 95369366 DSNIYNZMRPZKPX-XBXARRHUSA-N 267.306 3.056 5 40 CGBB Cc1csc([C@@H](Nc2ncccc2[N+](=O)[O-])C2CC2)n1 78381432 AOPFWPKXUOIDLS-NSHDSACASA-N 290.348 3.318 5 40 CGBB O=C(NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl 12819278 SXVDPUDFLHUIGA-UHFFFAOYSA-N 294.738 3.167 5 40 CGBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 30758529 QWIQWIKONSDYRB-GFCCVEGCSA-N 284.315 3.394 5 40 CGBB CC(C)N(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 63926421 UMUZTBCGHGUTEW-XBXARRHUSA-N 292.310 3.147 5 40 CGBB Cc1cc(C(=O)Nc2cccnc2Cl)ccc1[N+](=O)[O-] 5960709 DNVHSTISXBFJLG-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1N 216925709 DXVNHNCSPAKIAL-UHFFFAOYSA-N 268.276 3.029 5 40 CGBB Cc1csc(NC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n1 5368521 UXUVGWMHRWFZOX-UHFFFAOYSA-N 296.283 3.143 5 40 CGBB C[N+](C)(C)CCC(=O)c1ccc(Cl)c(Cl)c1 1572430 DGXXSKSDIPSJOI-UHFFFAOYSA-N 261.172 3.272 5 40 CGBB CC[N+](C)(C)CCNC(c1ccccc1)c1ccccc1 5399839 VWELYOAVSLKDKZ-UHFFFAOYSA-N 283.439 3.462 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 798480 BEPNIVSZFIAEES-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@@H]1C2 101325829 RMHAGYCHBZKSPN-BYNQJWBRSA-N 288.347 3.149 5 40 CGBB CCc1ccc(NC(=O)c2ccoc2C)cc1[N+](=O)[O-] 27313109 XPTTWNFTWKSBAP-UHFFFAOYSA-N 274.276 3.311 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2 1724406 XHAHNUAISBGLEX-UHFFFAOYSA-N 256.217 3.074 5 40 CGBB in-vitro CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 39000669 OVOMFUCVCWMWKR-UHFFFAOYSA-N 262.309 3.178 5 40 CGBB O=[N+]([O-])c1cccc(Br)c1OCC(F)F 125881780 LEMYPBDRWIGCGI-UHFFFAOYSA-N 282.040 3.001 5 40 CGBB COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 160202 XXFQJRUXVZLXFL-UHFFFAOYSA-N 291.690 3.488 5 40 CGBB Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1 213991311 AIJMDSCTYYNMPN-VOTSOKGWSA-N 274.232 3.411 5 40 CGBB CCOc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293161 VCBUODORRQTKCM-MRXNPFEDSA-N 287.315 3.384 5 40 CGBB O=Cc1cc(Br)c(-c2cccc([N+](=O)[O-])c2)o1 85395525 MUAJFRIQNKRFSB-UHFFFAOYSA-N 296.076 3.430 5 40 CGBB CCCCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2088092 VWAWNTWOZUARKP-UHFFFAOYSA-N 250.298 3.422 5 40 CGBB CN(c1ccccc1)c1ccc(C=O)cc1[N+](=O)[O-] 3886116 ZFYDGHJACOWZDU-UHFFFAOYSA-N 256.261 3.175 5 40 CGBB CC(C)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5384004 OSDLPCGDCSLHNU-UHFFFAOYSA-N 291.332 3.313 5 40 CGBB COc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1 3843470 UVZLOKFSBAJOMV-UHFFFAOYSA-N 259.692 3.343 5 40 CGBB Cc1nc2n(c1C)-c1ccc([N+](=O)[O-])cc1CS2 222377266 NLDDRIKROIOPCO-UHFFFAOYSA-N 261.306 3.003 5 40 CGBB O=[N+]([O-])c1cc(NC(=S)NC2CCCCC2)ccc1F 3231603 LCVYTRMFPMYWKT-UHFFFAOYSA-N 297.355 3.353 5 40 CGBB O=C(N[C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 10960197 REIQYFQYLNYDER-HNNXBMFYSA-N 282.299 3.012 5 40 CGBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1O)c1cccs1 5770519 USIUWGRMUVSBJZ-UHFFFAOYSA-N 298.707 3.268 5 40 CGBB Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 259774 ZDBKYMDCZATYMI-UHFFFAOYSA-N 280.667 3.402 5 40 CGBB COc1ccc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O)cc1 4917921 ICWNENJXDATFIQ-GXDHUFHOSA-N 299.282 3.229 5 40 CGBB O=[N+]([O-])c1cc(-c2ccc(Cl)nn2)ccc1Cl 26420525 LGVZSMPAKLBSQR-UHFFFAOYSA-N 270.075 3.359 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cccnc2)cc1OC(F)F 92583457 RVUNBRLLXPLKOT-UHFFFAOYSA-N 282.202 3.384 5 40 CGBB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 15543942 UWYAGIDSAWLEED-JTQLQIEISA-N 290.344 3.490 5 40 CGBB CCNc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 7245867 FKZWXJZSGFODOQ-UHFFFAOYSA-N 296.377 3.170 5 40 CGBB Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sn1 89608924 HLAWMNQTGAWVCZ-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB COc1ccc2c(c1)-c1cccc([N+](=O)[O-])c1C[C@H]2C#N 133199 CWZBIBRGPLYCLL-JTQLQIEISA-N 280.283 3.434 5 40 CGBB O=[N+]([O-])c1ccc(C(=S)NC2CCCCC2)cc1 9188041 XTQUHHQXVMWXBM-UHFFFAOYSA-N 264.350 3.193 5 40 CGBB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-] 43879423 DHPJGNQYQNOIGF-WDEREUQCSA-N 291.303 3.059 5 40 CGBB C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl 5533450 RKVIDSXELOQVNJ-VIFPVBQESA-N 282.727 3.263 5 40 CGBB N=c1c2ccccc2nc2oc3ccc(Cl)cc3n12 5594066 TVRGBZYPIMSTJI-UHFFFAOYSA-N 269.691 3.367 5 40 CGBB Cc1ccc(CNC(=S)c2cccc([N+](=O)[O-])c2)cc1 408572186 HGFVLCKTOXBLBC-UHFFFAOYSA-N 286.356 3.369 5 40 CGBB O=C(NC1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990484 VHDRKLXDQFVJNJ-UHFFFAOYSA-N 288.347 3.075 5 40 CGBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3ccc(F)cc3)n2)cc1 40175838 DHFQWYMFRQYFTD-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB O=[N+]([O-])[C@H]1CCC[C@@H](C2=CS[C@H]3CCCC[C@H]3N2)C1 5328189 GESRXNOUXNOQGC-CZXHOFHRSA-N 282.409 3.311 5 40 CGBB Cc1cc2nc(Cl)c(Cl)nc2cc1[N+](=O)[O-] 3160786 ZCYUREYVQFMXEC-UHFFFAOYSA-N 258.064 3.153 5 40 CGBB Cc1cccc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] 13002385 ZRLIYRGXUNAHFE-UHFFFAOYSA-N 276.336 3.308 5 40 CGBB CCOC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 40174187 CPENFJVZSRPWNP-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB Nc1nc2c(Cl)cc([N+](=O)[O-])c(N3CCCC3)c2s1 45891405 JZJCSCGSUQKKBZ-UHFFFAOYSA-N 298.755 3.040 5 40 CGBB C/C(=C/c1ccc(F)c([N+](=O)[O-])c1)c1cnccn1 192997312 UUIVTYMTCDGKFI-TWGQIWQCSA-N 259.240 3.084 5 40 CGBB O=C(Nc1ccc(O)cc1)c1coc2ccc([N+](=O)[O-])cc12 145038276 LCQULTRMSJEIGN-UHFFFAOYSA-N 298.254 3.299 5 40 CGBB O=C(Nc1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F 159245 JSAGKAYKWQRWPM-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB CC(C)(C)SC(=O)[C@]1(C)O[C@H]1c1ccc([N+](=O)[O-])cc1 1557961 GIGOHCOJLQPALA-SMDDNHRTSA-N 295.360 3.483 5 40 CGBB O=[N+]([O-])c1ccc2c(ccc3oc4ccccc4[n+]32)c1 1870590 BQVPUNOCWIEZCC-UHFFFAOYSA-N 265.248 3.233 5 40 CGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1ccsc1 46911854 RLEAESJCMLRZKA-SNVBAGLBSA-N 292.316 3.227 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 4948541 GCNZKHJCESWJHX-QWHCGFSZSA-N 282.299 3.337 5 40 CGBB Cc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1 70461124 MSMKVLJCIKGANU-UHFFFAOYSA-N 268.272 3.064 5 40 CGBB O=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn12 8317371 REXCWSIHKCGTHM-UHFFFAOYSA-N 280.353 3.439 5 40 CGBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCCC1 45886332 KDGYIVGOQZZNBX-UHFFFAOYSA-N 285.141 3.266 5 40 CGBB O=[N+]([O-])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 95836973 YFNSKRWAVGCAHS-CVEARBPZSA-N 269.300 3.398 5 40 CGBB O=[N+]([O-])c1c(Br)cccc1C(F)(F)F 200396453 GZSUZPZGMPSACG-UHFFFAOYSA-N 270.004 3.376 5 40 CGBB COc1ccccc1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O 17039673 ZEXNDJWNSXZPHB-GXDHUFHOSA-N 299.282 3.229 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 512440 TUSWBGDKIKMJSJ-UHFFFAOYSA-N 266.272 3.253 5 40 CGBB CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 2058258 CIJSFYULJNUCES-UHFFFAOYSA-N 270.716 3.168 5 40 CGBB O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c2ccccc12 8627894 MNUUXPSMYWWKOF-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB CCOc1cc(Oc2cccnc2)ccc1[N+](=O)[O-] 92583464 WFOCAVTYWYLAQB-UHFFFAOYSA-N 260.249 3.181 5 40 CGBB Cc1c(NC(=O)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] 22596819 ODYOCNUFNMLZDD-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1=Cc2ccccc2OC1 5034228 KINYYJRYOAPLIW-UHFFFAOYSA-N 296.282 3.009 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C)C1 17007749 IEZDVGLYVOGOKS-JTQLQIEISA-N 277.324 3.167 5 40 CGBB Cc1cccc(C(=O)OCc2ccccc2)c1[N+](=O)[O-] 5228138 ARHAOJCHDARTQA-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB in-vitro O=[N+]([O-])c1ccc(Oc2cc[n+]([O-])c3ccccc23)cc1 3180037 IIYMYJROBOCDDR-UHFFFAOYSA-N 282.255 3.174 5 40 CGBB O=[N+]([O-])c1ccc(COc2ccccc2[N+](=O)[O-])cc1 3382218 RWDCLBHJMYVADZ-UHFFFAOYSA-N 274.232 3.082 5 40 CGBB COC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 22798972 LHGJLOXCJSZTPI-PWSUYJOCSA-N 292.335 3.372 5 40 CGBB Cc1ccc(C)c([C@H](O)c2ccc([N+](=O)[O-])cc2)c1 226292785 WQIFSGXZWWDJJL-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB CCc1ccc(/C=C2/SC(=S)N=C2O)cc1[N+](=O)[O-] 96662794 APQRZCDFNZPSNJ-UXBLZVDNSA-N 294.357 3.486 5 40 CGBB O=[N+]([O-])c1ccc(OCC(F)F)c(Br)c1 125775726 FCVJBFUKWZRGFB-UHFFFAOYSA-N 282.040 3.001 5 40 CGBB O=C(O)c1cc(C2CC2)nc2cc(Cl)c([N+](=O)[O-])cc12 1857793841 FXYJFOITPDQICM-UHFFFAOYSA-N 292.678 3.372 5 40 CGBB Cc1cc(NCc2nccc3ccccc23)ncc1[N+](=O)[O-] 74738734 WYBMGJGFALAJSB-UHFFFAOYSA-N 294.314 3.459 5 40 CGBB O=[N+]([O-])c1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1 95098226 UIWXWUDWJWJFKO-UHFFFAOYSA-N 288.046 3.358 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 3197973 KDZHYSAPWRBCPG-UHFFFAOYSA-N 260.293 3.114 5 40 CGBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 3446950 OBECSFWWJMNIFG-SNVBAGLBSA-N 288.278 3.225 5 40 CGBB CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4117124 VMTGPQUEYRAIGE-UHFFFAOYSA-N 287.275 3.139 5 40 CGBB CC(=O)Nc1ccc2nc3[nH]c4ccccc4c3nc2c1 38201641 ZJDQSZOEMYVWSH-UHFFFAOYSA-N 276.299 3.223 5 40 CGBB COc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 23380868 RSUZGECQOZYJSW-UHFFFAOYSA-N 258.277 3.216 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C 4064733 UTSXCLQQDIBOGU-FSXCVOIBSA-N 276.444 3.256 5 40 CGBB biogenic Cn1cnc([N+](=O)[O-])c1Oc1cccc(C(F)(F)F)c1 12629211 IJRWNYBHJSWVIM-UHFFFAOYSA-N 287.197 3.139 5 40 CGBB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 11201914 LLSIFSIYVKLMPR-MRXNPFEDSA-N 296.326 3.476 5 40 CGBB O=[N+]([O-])c1ccc(N2CCSCC2)c(C(F)(F)F)c1 60031508 RQHHTFSDMKSJOA-UHFFFAOYSA-N 292.282 3.167 5 40 CGBB Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1C 5546810 VGJRKWXDKVVJFJ-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccnc2)c(Cl)c1 9379115 HJNMRVCBGIECIX-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB Nc1nc2c(Cl)cc([N+](=O)[O-])c(Cl)c2s1 45891350 JBATWOMBZZYLDN-UHFFFAOYSA-N 264.093 3.094 5 40 CGBB CN1CCOc2c1c(Cl)c(Cl)c(Cl)c2[N+](=O)[O-] 160093 QKFFNTZKPMIOQX-UHFFFAOYSA-N 297.525 3.384 5 40 CGBB CC[N+](C)(CCO)[C@@H](Cc1ccccc1)c1ccccc1 1595164 BJCCWTVUEOJQIR-XJDOXCRVSA-N 284.423 3.429 5 40 CGBB C[N+](C)([O-])C1CCCCC([N+](C)(C)[O-])CCCC1 3847711 FGQDRXHASLSPIL-UHFFFAOYSA-N 258.406 3.006 5 40 CGBB C[N+]1(C)[C@@H]2CCC[C@@H]1CC(OC(=O)c1ccccc1)C2 1293994 YTYIVMLMRFPEDG-HUUCEWRRSA-N 274.384 3.003 5 40 CGBB O=[N+]([O-])c1cccnc1N1CC[C@H]2CCCC[C@@H]2C1 24153497 DBMUSVAVJRUCDD-VXGBXAGGSA-N 261.325 3.006 5 40 CGBB C[N@@+]1([O-])CCO[C@@H](c2ccccc2)c2ccccc2C1 255961777 ADOSMCNCNFMWSW-ZWKOTPCHSA-N 269.344 3.251 5 40 CGBB O=C1Nc2ccccc2/C1=C\c1ccc([N+](=O)[O-])cc1 12339650 WPZSQSSOBHCYOZ-UKTHLTGXSA-N 266.256 3.088 5 40 CGBB CC(=O)O[C@@H](C[N+]1(C)CCCCCC1)c1ccccc1 185815 TWZTWUWHHWIWNW-KRWDZBQOSA-N 276.400 3.311 5 40 CGBB Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 13018072 ANYKOABDRULQRM-UHFFFAOYSA-N 279.683 3.447 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl 1694913 WUMOEIUPWHYXBM-UHFFFAOYSA-N 271.443 3.463 5 40 CGBB C[C@H](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCC1 95463010 OLONBPWGQRFQEI-GFCCVEGCSA-N 278.352 3.196 5 40 CGBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccnc3)oc12 73642629 OIGNDMBJCJEULA-UHFFFAOYSA-N 269.260 3.360 5 40 CGBB O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 129280 AWELCBAXCALMIX-UVTDQMKNSA-N 269.256 3.220 5 40 CGBB O=[N+]([O-])c1ccccc1S(=O)(=O)/C=C/c1ccccc1 1725475 MDXGEXNIMDOEHQ-ZHACJKMWSA-N 289.312 3.039 5 40 CGBB COC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 81010040 UGZHIUOMMMJESS-ZDUSSCGKSA-N 276.292 3.296 5 40 CGBB O=[N+]([O-])c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 97758913 ARMYKGHAFWDDJM-UHFFFAOYSA-N 275.214 3.416 5 40 CGBB O=C(Nc1cc(Cl)ccn1)c1ccc(F)c([N+](=O)[O-])c1 98175318 CBYLJYQUHWLAER-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB O=C(O)c1ccccc1Oc1cccc([N+](=O)[O-])c1 81109 GMOXZMUNJIZOHU-UHFFFAOYSA-N 259.217 3.085 5 40 CGBB O=C(Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 325561 OFIWZIJKZNBSHV-UHFFFAOYSA-N 277.663 3.467 5 40 CGBB Cc1cc([N+](=O)[O-])nn1C12CC3CC(CC(C3)C1)C2 8549414 HUBXGBWMDZBQTM-UHFFFAOYSA-N 261.325 3.025 5 40 CGBB Cc1cccc(C(=O)N(C)Cc2cccs2)c1[N+](=O)[O-] 24831080 XGHLZOVZTBBGTR-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3F)nc2c1 40169848 NWAMBEYLHMCHNM-UHFFFAOYSA-N 257.224 3.277 5 40 CGBB Cc1cn(-c2ccc(F)cc2[N+](=O)[O-])nc1C(F)F 575441650 WIYXUEOXNQBQGW-UHFFFAOYSA-N 271.198 3.166 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1Cl 6278571 ZXMKCRLSDFAXCC-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Nc1cc2c(c[n+](CCO)c3ccccc23)c2ccccc12 1558620 BYPRKSYDLZKKEE-UHFFFAOYSA-O 289.358 3.008 5 40 CGBB CCc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 9468688 FBCROSFOJSEODI-HNNXBMFYSA-N 297.314 3.011 5 40 CGBB Cn1ccnc1/C=C/c1ccc2c([N+](=O)[O-])cccc2n1 71799386 MBKWBGQRXHWYPA-SOFGYWHQSA-N 280.287 3.047 5 40 CGBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCC1 41690144 JQBVARXKZLIYPH-XWTMOSNGSA-N 298.491 3.065 5 40 CGBB O=[N+]([O-])c1ccc2oc(Cc3ccccc3)nc2c1 5947259 FHZMNFWNVLNNHJ-UHFFFAOYSA-N 254.245 3.327 5 40 CGBB O=S(=O)(O)c1c2ccccc2cc2ccccc12 5553430 SKLLBGQUBYTKMR-UHFFFAOYSA-N 258.298 3.240 5 40 CGBB CCC(CC)CN(CC)c1ncccc1[N+](=O)[O-] 84727462 DZSDMTHBLUFXOX-UHFFFAOYSA-N 251.330 3.252 5 40 CGBB COC[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C 95940914 OZLIRNDSMFSLBV-LBPRGKRZSA-N 286.759 3.009 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)-c1cccc([N+](=O)[O-])c1C2 3848695 IXWMOXPRNJWKEE-UHFFFAOYSA-N 256.217 3.074 5 40 CGBB biogenic O=C(NCCCC1CCCC1)c1cccc([N+](=O)[O-])c1 12974218 LLBRHORHLCJUKG-UHFFFAOYSA-N 276.336 3.295 5 40 CGBB CC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 4677299 SJSSFQBAKRKVOF-UHFFFAOYSA-N 299.282 3.154 5 40 CGBB Cc1cccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 10447430 AIJACEMGKKIPMO-CMDGGOBGSA-N 296.326 3.233 5 40 CGBB CCN(CC)c1c([N+](=O)[O-])c(=O)sc2ccccc12 4256157 ITMVIGBXFFFSLQ-UHFFFAOYSA-N 278.333 3.016 5 40 CGBB CCCCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 2100868 WULMLPCVSICMKH-LLVKDONJSA-N 264.325 3.293 5 40 CGBB CCC[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 97080993 OYXCYYSWOXYRAR-NSHDSACASA-N 292.339 3.034 5 40 CGBB CCn1cc(Br)c(-c2cccc([N+](=O)[O-])c2)n1 165648738 ICYGNGPNIJTERK-UHFFFAOYSA-N 296.124 3.241 5 40 CGBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 303902 OPGAFPSBAIKTQB-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB CCN(CC)Cc1ccc([N+](=O)[O-])cc1Br 73639554 RIFYCFFHUFUDEI-UHFFFAOYSA-N 287.157 3.199 5 40 CGBB Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccccc1 4991410 FZYVEHHHXPNLNK-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C 7070426 FVOKCUUDNOWNJL-FNORWQNLSA-N 286.287 3.457 5 40 CGBB CCOC(=O)CCCCCC(=O)c1cccc([N+](=O)[O-])c1 2580311 YONPKNDMBHHTFU-UHFFFAOYSA-N 293.319 3.291 5 40 CGBB CCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 6604371 YREZYQVSEFTCNC-UHFFFAOYSA-N 284.315 3.338 5 40 CGBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1C2 104146236 KKEJRNFFZBCZMW-IXPVHAAZSA-N 275.304 3.330 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1COc1ccc(F)cc1 72209198 HDCYFJBLVULCNE-UHFFFAOYSA-N 291.234 3.011 5 40 CGBB O=[N+]([O-])c1ccccc1OC(C(F)(F)F)C(F)(F)F 1227481400 VNKBYYHXMWDRTJ-UHFFFAOYSA-N 289.131 3.467 5 40 CGBB C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c2sc(N)nc12 20154728 QZVOYDFTCHMWAX-QMMMGPOBSA-N 292.364 3.166 5 40 CGBB Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 10447426 CMRBCOJMAWQZGU-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB CC1(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72305910 HTZSHQGVXQCORH-UHFFFAOYSA-N 283.715 3.264 5 40 CGBB O=[N+]([O-])c1ccc2ccc(I)cc2c1 71256700 VMUNEKSHQMHGHI-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB O=[N+]([O-])c1ccc(NC2[C@@H]3CCCC[C@@H]23)c(F)c1 101455078 LZZRYCACMDIUSE-NXEZZACHSA-N 250.273 3.334 5 40 CGBB O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)c(Cl)c1 35655561 JUTCINMQEHLWPQ-UHFFFAOYSA-N 291.616 3.453 5 40 CGBB O=[N+]([O-])c1c(OC(F)F)cccc1C(F)(F)F 95215506 KEXHMBCWWDTVNJ-UHFFFAOYSA-N 257.114 3.215 5 40 CGBB CC(=O)c1ccc(C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 265347 WGSPNICVNCDYHU-UHFFFAOYSA-N 299.282 3.325 5 40 CGBB CC[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 42095252 SXYURFQIZDXDHN-GFCCVEGCSA-N 288.351 3.024 5 40 CGBB N#Cc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 139810079 QMLDNYADRLRKPF-UHFFFAOYSA-N 295.301 3.464 5 40 CGBB COc1ccc(NC2=Nc3ccc([N+](=O)[O-])cc3OC2)cc1 16217153 DGDBFXQJXPFHDK-UHFFFAOYSA-N 299.286 3.138 5 40 CGBB O=[N+]([O-])c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1 1562059 IDEMWJLVAXXOGJ-UHFFFAOYSA-N 258.233 3.094 5 40 CGBB Cc1cc(C(=O)NCCCc2ccccc2)ccc1[N+](=O)[O-] 2736407 FIJSXSHCVWHKNE-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccccc1 12555877 UXINTBCDXOYFLM-UHFFFAOYSA-N 299.330 3.426 5 40 CGBB O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)c(Cl)c1 72334122 ANDGOWQBGDFFLE-UHFFFAOYSA-N 258.064 3.087 5 40 CGBB CC[C@H](C)n1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1 1548918962 XKHUTOMEDFTWDC-QMMMGPOBSA-N 284.316 3.109 5 40 CGBB CC1(C)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 204952322 FXQBODZDOXIXCI-UHFFFAOYSA-N 252.289 3.360 5 40 CGBB CCc1ccc(NC(=O)C(C)(C)C)cc1[N+](=O)[O-] 30396680 YVNSHXFZGRGGEC-UHFFFAOYSA-N 250.298 3.142 5 40 CGBB O=C(OCc1cccc([N+](=O)[O-])c1)C1CCCCC1 3250942 QEHWFGUQVZMKLR-UHFFFAOYSA-N 263.293 3.218 5 40 CGBB O=[N+]([O-])c1ccccc1Oc1cnc2ccccc2n1 1384823 WBBHAJNBGSXMJS-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB CC(C)[C@@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] 78903489 JXWQFJQZMXQHLI-SNVBAGLBSA-N 272.732 3.067 5 40 CGBB O=[N+]([O-])c1cc(N2CCc3ccccc3C2)cs1 71289257 FBKHQJIVJVQVAL-UHFFFAOYSA-N 260.318 3.219 5 40 CGBB C#CC[N+](CC)(CC)CC#Cc1cccc(Cl)c1 196852 UURYMBJDOYWGOF-UHFFFAOYSA-N 260.788 3.181 5 40 CGBB Cc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1 361748 BMBYOAIWRXVQMS-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB COCCCNCc1cc(=O)oc2ccc3ccccc3c12 9460246 RWNOPJKCOMPDQR-UHFFFAOYSA-N 297.354 3.072 5 40 CGBB COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OC 33582301 AIZBWGBFACLCER-FPLPWBNLSA-N 290.275 3.079 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 9314889 ZZPSWKSMGORRTE-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB CCNc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 9377894 IRWVURISWPBBTH-UHFFFAOYSA-N 296.377 3.170 5 40 CGBB COc1ccccc1[C@H](C)Nc1ncccc1[N+](=O)[O-] 21760402 QORYVYRGYQJWMZ-JTQLQIEISA-N 273.292 3.172 5 40 CGBB O=[N+]([O-])c1cccnc1Sc1nc2ccccc2o1 4414052 SSGZHRFBQVFZDA-UHFFFAOYSA-N 273.273 3.282 5 40 CGBB N=[S@@](=O)(c1ccccc1)c1ccccc1[N+](=O)[O-] 102915572 NHHZERQGWKPSPS-GOSISDBHSA-N 262.290 3.060 5 40 CGBB O=c1[nH]c2cc([N+](=O)[O-])ccc2c2cc(Cl)ccc12 8627895 BBDRLPPQTGPZOL-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C\c2ccncn2)c1 5119138 SYRWVMXADLIYPA-UPHRSURJSA-N 261.668 3.209 5 40 CGBB NC(=O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 70462652 PGGWUSSHOQAPFI-UHFFFAOYSA-N 297.742 3.092 5 40 CGBB CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 133961 DGOLMTSTXLHVKN-UHFFFAOYSA-N 288.328 3.106 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Oc1ccc(C(F)(F)F)cc1 25057206 JMAMIUQZHQPEHY-UHFFFAOYSA-N 287.197 3.139 5 40 CGBB O=C(CCc1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 9691589 BQIWUSNBKLTARG-UHFFFAOYSA-N 294.307 3.367 5 40 CGBB O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)c(Cl)c1 72280387 ZEPGNLVYAZLNAN-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2cccc(F)c2)n1 40164173 INHOWRMLCXBNGF-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB Cc1cc(SC2CCOCC2)ccc1[N+](=O)[O-] 92688851 IZICYCVQRDEEMJ-UHFFFAOYSA-N 253.323 3.174 5 40 CGBB Cc1cn(-c2ccccc2[N+](=O)[O-])nc1C(F)(F)F 575441639 QNJXCHMRRXBCBF-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB O=[N+]([O-])c1cccc(CN2CCc3sccc3C2)c1 21418165 XTFHRDRHCOXKLJ-UHFFFAOYSA-N 274.345 3.215 5 40 CGBB COc1ccc(CNc2ccc3[nH]ncc3c2)cc1[N+](=O)[O-] 95440151 MOJVRAKHBNHSPR-UHFFFAOYSA-N 298.302 3.092 5 40 CGBB C[C@@H](OC(=O)c1ccncc1F)c1ccc([N+](=O)[O-])cc1 74719008 OKLPGLSMJCHFTE-SECBINFHSA-N 290.250 3.047 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OC3CCCCC3)c2c1 72226534 ZXMZXNQOHAFVMM-UHFFFAOYSA-N 261.281 3.183 5 40 CGBB Cc1cccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1 4139549 NGWFFJPMUNMSLH-UHFFFAOYSA-N 272.260 3.345 5 40 CGBB CCCNC(=S)Nc1cc2cccnc2c2ncccc12 6569856 CYGFLQVJKDZZFJ-UHFFFAOYSA-N 296.399 3.479 5 40 CGBB CC(C)(C)c1nnc(Sc2ccccc2[N+](=O)[O-])o1 69630269 UYAUCOBZKQJERB-UHFFFAOYSA-N 279.321 3.427 5 40 CGBB Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 5683122 JCUWNCLYJVUWKZ-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB CC(C)(CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[N+](=O)[O-] 6763603 BJPQXEZVCKJQEG-GYSYKLTISA-N 255.358 3.273 5 40 CGBB in-vitro CCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1CC 20034300 NCTVEPSRIXQTKX-UHFFFAOYSA-N 292.364 3.061 5 40 CGBB C[C@H](N)[C@@H](O)c1ccc2ccc3ccccc3c2c1 1595049 VDGUOULOJFVJCZ-APPDUMDISA-N 251.329 3.374 5 40 CGBB O=[N+]([O-])c1ccc(CN2CCCCC2)c(Br)c1 73639547 JNMYBMNHNBWSHT-UHFFFAOYSA-N 299.168 3.343 5 40 CGBB C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 243446450 NEWBSDNICUEEOF-GHMZBOCLSA-N 277.324 3.390 5 40 CGBB Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 38470 JPSZFHPZVGXCEL-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1 170526 UQVFPELVKBDQIB-UHFFFAOYSA-N 287.282 3.086 5 40 CGBB aggregator Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 7656940 NPCNSABBUMBOLX-UHFFFAOYSA-N 271.272 3.431 5 40 CGBB COCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 58158452 FPFXZMKCETUDKP-UHFFFAOYSA-N 264.306 3.173 5 40 CGBB Cc1cccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c1 12986408 JAZUMZPUENDQHH-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c(C)o1 7745297 BIWTXTNKQITMII-UHFFFAOYSA-N 275.260 3.162 5 40 CGBB Cc1csc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 33315256 PAKDGOLXSUCPGU-WAYWQWQTSA-N 289.316 3.012 5 40 CGBB Cc1cc(C(=O)NCC2=CCCCC2)ccc1[N+](=O)[O-] 223436543 LKGABQVBRXNEDL-UHFFFAOYSA-N 274.320 3.133 5 40 CGBB Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)s1 42151939 PXCRFPLSFKYHED-UHFFFAOYSA-N 281.362 3.355 5 40 CGBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 11919870 LSIBMQYEKZVDLU-UHFFFAOYSA-N 297.270 3.176 5 40 CGBB CCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] 27313041 UQVZIRPPYRTBAK-NSHDSACASA-N 274.320 3.452 5 40 CGBB O=[N+]([O-])c1cccc([C@H]2[C@H](F)[C@H](F)C[C@H](F)[C@@H]2F)c1 1776010782 JBNUXFZRTIWLHK-KUZKSGFYSA-N 277.217 3.435 5 40 CGBB CN1c2ccccc2Nc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 18195815 QGTMHWYBTRQYRV-UHFFFAOYSA-N 286.247 3.328 5 40 CGBB O=C1O[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 553141 ICQCAQCYXUOKNN-ZDUSSCGKSA-N 288.234 3.015 5 40 CGBB Cc1cc(C)cc(Sc2c([N+](=O)[O-])ncn2C)c1 130310 NYMZIPJNYMQIAU-UHFFFAOYSA-N 263.322 3.096 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ccccc2CO)cc1 347441 MNLVIHLDKKIENQ-UHFFFAOYSA-N 261.302 3.238 5 40 CGBB CCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 4381487 RVCYQIDYQSLHIB-UHFFFAOYSA-N 298.298 3.144 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 20555044 QUDRQHJOUPVLNT-UHFFFAOYSA-N 276.223 3.176 5 40 CGBB O=C1c2ccccc2C[N+]1([O-])c1ccc(Cl)cc1 396961 MOVYGUKRSLLDKU-UHFFFAOYSA-N 259.692 3.499 5 40 CGBB O=[N+]([O-])c1cccc(-c2csc(N3CCCC3)n2)c1 5277546 XUOJKJNDYRIQPS-UHFFFAOYSA-N 275.333 3.319 5 40 CGBB Cc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 3487286 TUTITNMJRNVZEO-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB Cc1cccn2cc(COc3ccc([N+](=O)[O-])cc3)nc12 8216714 SFDOSVJGUYWYKG-UHFFFAOYSA-N 283.287 3.130 5 40 CGBB O=C(O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 12504991 YRLXKGPNOMEQDX-SOFGYWHQSA-N 275.285 3.421 5 40 CGBB NC(=O)c1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3340019 HLQVMXOUAZFUHZ-UHFFFAOYSA-N 292.678 3.139 5 40 CGBB CCOC(=O)c1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1 70462632 UFQKOLWJIHEFDH-UHFFFAOYSA-N 298.726 3.025 5 40 CGBB COc1ccc(-c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] 216937990 QMQJYHSIMOMJJY-UHFFFAOYSA-N 297.266 3.377 5 40 CGBB O=[N+]([O-])c1cccc2nc(O)c(-c3ccccc3)c(O)c12 685936852 AVCMOZDNDXEHAF-UHFFFAOYSA-N 282.255 3.221 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)O)o1 4294427 HTUVPHPOOKWVEL-FNORWQNLSA-N 273.244 3.261 5 40 CGBB Cc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 13675821 IZJBVWRSTJXFBI-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCC1 4072484 JXAISQWGIGVECY-UHFFFAOYSA-N 278.308 3.122 5 40 CGBB CCCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 8729175 RLFKHMINXNKUPM-UHFFFAOYSA-N 267.672 3.251 5 40 CGBB CN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cn1 12952950 YVDXENVOXDTMBT-UHFFFAOYSA-N 277.711 3.280 5 40 CGBB CC(C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 4545310 OHZOOSCFCFWUPL-YRNVUSSQSA-N 292.316 3.040 5 40 CGBB CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccncc1 96012820 XOSHIGLOKJYIOE-AWEZNQCLSA-N 271.320 3.231 5 40 CGBB O=[N+]([O-])c1ccc(CSc2ccncc2)c(F)c1 95430756 FSFKWZOCLOWPHO-UHFFFAOYSA-N 264.281 3.421 5 40 CGBB COc1cc([N+](=O)[O-])cc(Cl)c1Br 216843609 BCDJFZBMOHKNIS-UHFFFAOYSA-N 266.478 3.019 5 40 CGBB COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccccc1 6090284 NBXVHJOLIVSNPD-KTKRTIGZSA-N 299.282 3.162 5 40 CGBB O=C(Nc1ccc2ncsc2c1)c1cccc([N+](=O)[O-])c1 10217148 YATFDROCYZXJLZ-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB C[C@@]1(C(=O)O)C(=O)Oc2c1c1ccccc1c1ccccc21 4973019 HLWNWGPEWGPJAK-GOSISDBHSA-N 292.290 3.254 5 40 CGBB CC(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 5907533 JHANTKCLYFWFTJ-UHFFFAOYSA-N 270.716 3.024 5 40 CGBB CCOc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226292000 HJPWSAGIOGCESV-MRXNPFEDSA-N 287.315 3.384 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)c([N+](=O)[O-])c1 95832004 KXXIUGHYTQVIRG-UHFFFAOYSA-N 289.203 3.078 5 40 CGBB O=[N+]([O-])c1cccnc1N1CC[C@H]2CCCC[C@H]2C1 245228096 DBMUSVAVJRUCDD-NEPJUHHUSA-N 261.325 3.006 5 40 CGBB O=C1O[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 553142 ICQCAQCYXUOKNN-CYBMUJFWSA-N 288.234 3.015 5 40 CGBB O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nccs1 84357781 SYNSVDNDPBUMMY-NSHDSACASA-N 290.348 3.178 5 40 CGBB Cc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])cc1 10025306 FHOJSMZMKGUPKQ-UHFFFAOYSA-N 298.342 3.104 5 40 CGBB O=[N+]([O-])c1cccc(-c2cc3c(Cl)ncnc3o2)c1 89224383 ZMEWDSHUWQXBIS-UHFFFAOYSA-N 275.651 3.451 5 40 CGBB O=[N+]([O-])c1ccc(N2CCN(C3CCCCC3)CC2)cc1 11691812 YYSXXRSTZDEWBW-UHFFFAOYSA-N 289.379 3.050 5 40 CGBB O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 38126260 BYINMIAEOURRNC-UHFFFAOYSA-N 259.236 3.159 5 40 CGBB O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(CO)c1 190997686 AOTPGXOROUWXII-QPJJXVBHSA-N 284.315 3.212 5 40 CGBB O=[N+]([O-])c1ccc(OC[C@H]2CC(c3ccccc3)=NO2)cc1 543880 HWSCRCWCJFWZQO-OAHLLOKOSA-N 298.298 3.167 5 40 CGBB COc1ccc(C)cc1COc1ccc(C)nc1[N+](=O)[O-] 5259838 NVEHBZBNENQOSR-UHFFFAOYSA-N 288.303 3.194 5 40 CGBB CSc1cccc(Nc2ncccc2[N+](=O)[O-])c1 7185689 DCWMDRAFWCNZKI-UHFFFAOYSA-N 261.306 3.455 5 40 CGBB CC1(C)OC(=O)N(c2ccccc2)/C1=C\C[N+](C)(C)C 123420 KUZTUMAGYOXPKL-KAMYIIQDSA-N 275.372 3.012 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(Cl)(Cl)Cl 253805 VSFWLSQSZQJZSN-UHFFFAOYSA-N 297.525 3.212 5 40 CGBB O=C(Nc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 4059105 YILNHZTYJCRLPJ-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB O=[N+]([O-])c1cccc(NC(=S)NC2CCCCC2)c1 7522781 SCFJBOMWYMBLJX-UHFFFAOYSA-N 279.365 3.214 5 40 CGBB Cc1c(Br)ccc([N+](=O)[O-])c1Br 34175239 NDDMWBCHQSMIFN-UHFFFAOYSA-N 294.930 3.428 5 40 CGBB COC[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C 95940913 OZLIRNDSMFSLBV-GFCCVEGCSA-N 286.759 3.009 5 40 CGBB COc1cccc(CN2CCc3c2cccc3[N+](=O)[O-])c1 89470027 GLABZROYEPERBL-UHFFFAOYSA-N 284.315 3.166 5 40 CGBB C[N+](C)([O-])[C@H]1CCCC[C@@H]([N+](C)(C)[O-])CCCC1 245239100 FGQDRXHASLSPIL-OKILXGFUSA-N 258.406 3.006 5 40 CGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@@H]1C2 168802 JGBBQPNRTHIWRY-IQJOONFLSA-N 278.283 3.109 5 40 CGBB Cc1cc(Cl)ccc1Oc1c([N+](=O)[O-])ncn1C 8317451 SFYMXFPAZOCZDP-UHFFFAOYSA-N 267.672 3.082 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1N=NC[C@H]1c1ccccc1 104256665 BDEHDTHOWLSMEX-GJZGRUSLSA-N 295.298 3.396 5 40 CGBB Cc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] 18057415 CYSPJMPZNCQSNP-TXEJJXNPSA-N 276.336 3.306 5 40 CGBB Nc1ccc2nc3ccc(=O)cc-3n(-c3ccccc3)c2c1 3848524 QCHOECSVKPOYKN-UHFFFAOYSA-N 287.322 3.073 5 40 CGBB biogenic CC(C)n1cnnc1SCc1c(F)cccc1[N+](=O)[O-] 69773420 OQMFIFYBVICEDV-UHFFFAOYSA-N 296.327 3.199 5 40 CGBB C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 108335874 MXIPPRVEUBMSCQ-NOOOWODRSA-N 261.325 3.226 5 40 CGBB CC[N+](CC)(CC)CCOC(=O)c1ccccc1C 1685209 CRLOXUMRZKTAMR-UHFFFAOYSA-N 264.389 3.028 5 40 CGBB CC(C)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 10636989 MNZBXMNQXGUAFL-UHFFFAOYSA-N 291.332 3.427 5 40 CGBB O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 91676191 FEWDUDHZWVICKS-MNOVXSKESA-N 291.303 3.059 5 40 CGBB COc1ccc(CNc2cccc([N+](=O)[O-])c2)c(OC)c1 34990113 GDMZBZIODWQBCG-UHFFFAOYSA-N 288.303 3.224 5 40 CGBB O=C(O)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 73642039 MLVZLXLKOYBVMN-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB O=C(N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 5442861 IJXDFNFVODOLNJ-MRXNPFEDSA-N 296.326 3.402 5 40 CGBB COc1ccccc1Nc1ncnc2ccc([N+](=O)[O-])cc12 12082669 YKGHIGRDECDNED-UHFFFAOYSA-N 296.286 3.290 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)Oc1nc3ccccc3nc1O2 984199 DKNNNBTWSVIXHS-UHFFFAOYSA-N 281.227 3.436 5 40 CGBB O=C(Oc1ccccc1/C=C/[N+](=O)[O-])c1ccccc1 33666509 MMLRRDQESZXBAQ-ZHACJKMWSA-N 269.256 3.153 5 40 CGBB O=C(O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 424988 HICORAAXFCXYAZ-UHFFFAOYSA-N 295.323 3.396 5 40 CGBB Cc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 10110372 IKRQHJJPEZKWHM-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1 100449840 HUXYVLZRNKGAMY-KLPPZKSPSA-N 291.303 3.059 5 40 CGBB O=C(NC1CCCCCCC1)c1ccc([N+](=O)[O-])cc1 3093818 OQKGOGLIASGTGO-UHFFFAOYSA-N 276.336 3.438 5 40 CGBB COc1cc2c[n+]3c4c(cccc4c2cc1OC)CCC3 1561333 FESNKHLGAUIFEF-UHFFFAOYSA-N 280.347 3.244 5 40 CGBB Cc1noc(C)c1CSc1ccc([N+](=O)[O-])cc1 1383206 MTCMBOZPZHNFMH-UHFFFAOYSA-N 264.306 3.492 5 40 CGBB COc1ccc2oc3c(oc(=O)c4ccccc43)c(=O)c2c1 36621471 JSCQFVSXULJNOX-UHFFFAOYSA-N 294.262 3.061 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)Oc1nc3ccccc3nc1N2 8716993 IUHXIOBAPXETIJ-UHFFFAOYSA-N 280.243 3.387 5 40 CGBB O=[N+]([O-])c1ccc(SCCn2ccnc2)c(Cl)c1 95940949 OWHRJKXYVDJGOK-UHFFFAOYSA-N 283.740 3.237 5 40 CGBB N[C@H](CC(=O)O)c1c2ccccc2cc2ccccc12 2586203 RWSBGGWIFLOGNU-OAHLLOKOSA-N 265.312 3.468 5 40 CGBB COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 994045 FRAPWQICQSULNY-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1ccc(C)c(OCCNc2ncccc2[N+](=O)[O-])c1 18247496 AYJFKTROOGYFID-UHFFFAOYSA-N 287.319 3.098 5 40 CGBB Cc1ccc(-c2nc3c(C)cccn3c2C=O)cc1[N+](=O)[O-] 36138720 UPNKZMBVTXDDPY-UHFFFAOYSA-N 295.298 3.339 5 40 CGBB CN(C)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 73739876 HWNNHEZXEGDUPG-UHFFFAOYSA-N 257.293 3.404 5 40 CGBB O=[N+]([O-])c1ccc(F)c(F)c1OC(F)(F)Cl 95215409 SPRMRPFTEBRQKF-UHFFFAOYSA-N 259.542 3.041 5 40 CGBB Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F 575441659 ZPCQGYNUDPAVTI-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB O=C(Nc1ccncc1F)c1ccc([N+](=O)[O-])c(Cl)c1 96007546 BOGLQDBMKNJPHN-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB O=[N+]([O-])c1cccnc1NC[C@@H]1CCO[C@H]1c1ccccc1 78357166 HWNQVNOITYUQKP-ZFWWWQNUSA-N 299.330 3.180 5 40 CGBB O=C(Oc1ccc2oc3ccccc3c2c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 32932047 UTHVAILYIKSVLA-OLZOCXBDSA-N 297.266 3.157 5 40 CGBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 145477 GAXWYRJTQKFLMW-UHFFFAOYSA-N 297.719 3.081 5 40 CGBB C[C@@H](O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 53584502 RCTUBBQKJODSFB-SNVBAGLBSA-N 290.294 3.399 5 40 CGBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Cl 36613073 GQPOHVYGDAMRNZ-UHFFFAOYSA-N 251.673 3.051 5 40 CGBB O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])s1 12892675 GUNVRPZVXISRAD-UHFFFAOYSA-N 284.243 3.187 5 40 CGBB CCCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 4685210 ZCCDXTDUDQXNEQ-UHFFFAOYSA-N 267.354 3.071 5 40 CGBB C[N+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)nc1 19701775 PUHXBHUWCKYEFK-QRIPLOBPSA-N 268.384 3.146 5 40 CGBB biogenic,in-vitro O=[N+]([O-])c1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 8141543 YWUGCEXQDMDSAH-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21 5549467 ILZOWHJKKJCZKS-UHFFFAOYSA-N 283.327 3.192 5 40 CGBB O=[N+]([O-])c1ccc(N2CCNc3ccccc3C2)cc1 32926976 HKGGQQCBYVNNES-UHFFFAOYSA-N 269.304 3.027 5 40 CGBB O=[N+]([O-])c1c(F)cccc1N[C@@H](CCO)c1cccs1 75145296 CHGZOAVUKRAEON-JTQLQIEISA-N 296.323 3.331 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 39073296 AQDDNGKLTLKFIP-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cnc(-c3ccccc3)nc2)nc1 31784776 WAEAABWCUGPRGN-UHFFFAOYSA-N 294.270 3.239 5 40 CGBB O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCC2)cc1 9367614 JSUSLTBBBMXXGH-UHFFFAOYSA-N 284.319 3.334 5 40 CGBB COc1cc(CSc2ccncc2)ccc1[N+](=O)[O-] 97047719 FJZRKNLGZUPUGZ-UHFFFAOYSA-N 276.317 3.291 5 40 CGBB Cc1cc(N2Cc3ccccc3[C@H]2C)ncc1[N+](=O)[O-] 253427589 WNCIQKJYMLVYEZ-LLVKDONJSA-N 269.304 3.379 5 40 CGBB CCOC(=O)c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1 91252808 PMOXFKXZMJOERV-UHFFFAOYSA-N 295.238 3.383 5 40 CGBB C[C@]1(C(=O)O)C(=O)Oc2c1c1ccccc1c1ccccc21 1721762 HLWNWGPEWGPJAK-SFHVURJKSA-N 292.290 3.254 5 40 CGBB O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)nc1 32779257 LBNVKUYOJVZPNN-UHFFFAOYSA-N 269.304 3.159 5 40 CGBB C[Si](C)(C)CCOCn1ncc2ccc([N+](=O)[O-])cc21 199564892 RJTKHXQFZMJTEF-UHFFFAOYSA-N 293.399 3.257 5 40 CGBB COc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 4071312 JBCZISLZQDTLLY-IZZDOVSWSA-N 298.298 3.255 5 40 CGBB Clc1ccc2cc3c(cc2c1)C[N+]1(CCOCC1)C3 332654 BYVYIGPAJJIOAF-UHFFFAOYSA-N 274.771 3.354 5 40 CGBB CCOCc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 32803934 CQPZSDKMWRKUTJ-UHFFFAOYSA-N 287.319 3.138 5 40 CGBB O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1F 95215480 NDFKPGLQXAMJML-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1508424 FMPAAROOWOPMQC-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=[N+]([O-])c1ccc(CNCCc2ccccc2F)cc1 20047645 GVHAUCUKVOFWBN-UHFFFAOYSA-N 274.295 3.066 5 40 CGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@@H]1C=CCC1 32748289 YDVYKFHJGZWLOR-QWHCGFSZSA-N 288.347 3.471 5 40 CGBB CCN(CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1392847 BKNRUOIDCTYJOB-UHFFFAOYSA-N 278.333 3.292 5 40 CGBB O=C1c2ccc([N+](=O)[O-])cc2N[C@@H]2CCCCC[C@H]12 226759937 PWENJZSMQGTTKI-CMPLNLGQSA-N 260.293 3.152 5 40 CGBB O=[N+]([O-])c1ccc(C(F)(F)F)cc1-n1cccc1 95919688 KPOPVSLUOJEEBR-UHFFFAOYSA-N 256.183 3.404 5 40 CGBB CSC[C@@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 96413370 QFANPLVPDXUKER-SNVBAGLBSA-N 297.380 3.118 5 40 CGBB Cc1csc([C@H](C)CNc2ncc([N+](=O)[O-])cc2C)n1 273305428 MLVRHZBFWGJOFM-SECBINFHSA-N 292.364 3.279 5 40 CGBB CC(=O)Nc1cc2c(cc1Cl)[nH]c(=O)c1ccccc12 16951722 DMFMCACKXBNYJT-UHFFFAOYSA-N 286.718 3.293 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2cccc(Cl)c21 1715663 UEZFZNJVFXLKLJ-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB CCOc1cc(Sc2nnc(C)s2)ccc1[N+](=O)[O-] 92582392 WHKVHFGBRFPEEW-UHFFFAOYSA-N 297.361 3.305 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccsc1 84414436 BMVCJVUKFUESJP-UHFFFAOYSA-N 263.278 3.300 5 40 CGBB CCCN(CCC)c1cc(Cl)c2nonc2c1[N+](=O)[O-] 16309599 DXEVXDNNKVAEOH-UHFFFAOYSA-N 298.730 3.411 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])c(Cl)c(C(F)(F)F)c1 95486395 YHNRIMLCAGSNMW-UHFFFAOYSA-N 283.589 3.054 5 40 CGBB Cc1cn(-c2ccc([N+](=O)[O-])cc2F)nc1C(F)(F)F 575441392 MDOWGAXMOHEJHW-UHFFFAOYSA-N 289.188 3.247 5 40 CGBB N#C[C@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 129304 QQXSHVPSBDZQCC-AWEZNQCLSA-N 282.255 3.016 5 40 CGBB CC1=C[C@@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@@H]2C 491251 UTSXCLQQDIBOGU-SAZZBMJHSA-N 276.444 3.256 5 40 CGBB CC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 8056204 JUCRTZSEGLGQSX-SNVBAGLBSA-N 262.309 3.034 5 40 CGBB Cc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 175120013 NNJDRBVFEFKJJO-SNVBAGLBSA-N 280.324 3.489 5 40 CGBB CC(C)[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] 75124057 MIDXKVNJLCJYID-NSHDSACASA-N 252.289 3.359 5 40 CGBB O=c1oc2c(=O)c3ccccc3oc2c2ccccc12 36619578 QAJJCWXGKIGAPR-UHFFFAOYSA-N 264.236 3.053 5 40 CGBB Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1N 216925629 ALGVEAKGIXKVHD-UHFFFAOYSA-N 268.276 3.029 5 40 CGBB O=C1c2ccccc2C[C@H]1c1ccc([N+](=O)[O-])cc1 143435011 VIVMODSPPPKEPH-AWEZNQCLSA-N 253.257 3.117 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1N[S@](=O)c1ccccc1 17378476 DLSSHWMDTQVPKX-IBGZPJMESA-N 276.317 3.038 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1SCc1ccco1 12336661 QYZHMLCZXRPAQO-UHFFFAOYSA-N 263.274 3.293 5 40 CGBB CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 24501191 IXTPQKOCKDQCCW-UHFFFAOYSA-N 274.276 3.393 5 40 CGBB Cc1oc(-c2ccccc2[N+](=O)[O-])cc1C(=O)NC(C)C 8021294 NOLIWVHZQCNLKM-UHFFFAOYSA-N 288.303 3.301 5 40 CGBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O 409017050 UYRDVZBTCWARAV-TUOMEMKJSA-N 296.304 3.023 5 40 CGBB Cc1ccnc(N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] 521398660 XELMSMRWLCTMBK-ZDUSSCGKSA-N 298.346 3.077 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1 15410374 HBTDGWYBLLYCSY-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB COc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 225554 IAYNRYWAJHRQIZ-NYYWCZLTSA-N 299.282 3.222 5 40 CGBB biogenic COc1ccc(OC)c(CNc2ccccc2[N+](=O)[O-])c1 24211899 XVUOOVZPDGGGQU-UHFFFAOYSA-N 288.303 3.224 5 40 CGBB O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1nccs1 84357779 SYNSVDNDPBUMMY-LLVKDONJSA-N 290.348 3.178 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(F)cc12 199720880 JZAIYYCDUMLAJO-UHFFFAOYSA-N 284.246 3.446 5 40 CGBB OCc1cc2ccccc2c2c3c(ccc12)OCO3 1716374 XZQBYAHIOGJMSW-UHFFFAOYSA-N 252.269 3.214 5 40 CGBB CC(=O)c1cc(N2CCC(C)CC2)ccc1[N+](=O)[O-] 8762670 MPPNLICUEALUGN-UHFFFAOYSA-N 262.309 3.034 5 40 CGBB O=[N+]([O-])c1ccc(-c2csc(NC3CC3)n2)cc1 7274380 ZLEQQLZGPFMAEY-UHFFFAOYSA-N 261.306 3.293 5 40 CGBB O=C(Nc1ccncc1F)c1cc(Cl)ccc1[N+](=O)[O-] 97082709 ZJPSMKPSWGINFR-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccs2)n1 71977410 FVSPQJYZELNCMH-UHFFFAOYSA-N 298.327 3.363 5 40 CGBB C[n+]1c(/C=C\c2ccc([N+](=O)[O-])cc2)oc2ccccc21 17145604 YIMXYLYSEDLJRF-FLIBITNWSA-N 281.291 3.336 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccc(O)c2)c2ccncc12 54125062 GPMFXFQXRROMME-UHFFFAOYSA-N 295.298 3.461 5 40 CGBB CCC(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 58161203 DLAOAOUGNITWAB-UHFFFAOYSA-N 293.367 3.010 5 40 CGBB C[C@H](C(=O)O)n1c2ccccc2c2nc3ccccc3nc21 5508834 SLNFWCCIWNPTMK-SNVBAGLBSA-N 291.310 3.383 5 40 CGBB O=[N+]([O-])c1ccc(Cl)nc1NCc1ccc(F)cc1 36925914 WUURADJZJGGVCZ-UHFFFAOYSA-N 281.674 3.394 5 40 CGBB Cc1cc(NC(=O)c2cccnc2Cl)ccc1[N+](=O)[O-] 44315456 MSNCWYNAFXQQQQ-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1c(O)ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C 3077768 GDMLJUWOBLFWDR-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB O=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-] 3240215 MEUNBHFVIAGGMJ-UHFFFAOYSA-N 281.267 3.062 5 40 CGBB O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 42199515 MXAKZRGTEMYWGP-UHFFFAOYSA-N 298.298 3.279 5 40 CGBB Cc1c(NC(=O)c2cccnc2Cl)cccc1[N+](=O)[O-] 20313960 RXBYUTOEMUSNCF-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=[N+]([O-])c1cccc(-c2nnc(-c3cccs3)o2)c1 187425 KWCUEVIEGDVREI-UHFFFAOYSA-N 273.273 3.373 5 40 CGBB Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 2790570 ZTEIFCYDAOIWNE-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB Cc1ccc(C(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 12954500 SLZLEUGLYSNQHE-UHFFFAOYSA-N 275.235 3.262 5 40 CGBB Cc1ccnc(Oc2ccc(-n3cccn3)cc2)c1[N+](=O)[O-] 77985278 YVONTLSGKWAMPJ-UHFFFAOYSA-N 296.286 3.276 5 40 CGBB O=[N+]([O-])c1ccc(CNCc2ccccc2)c(F)c1 199827112 OXJCRDOAMJAPQR-UHFFFAOYSA-N 260.268 3.024 5 40 CGBB COc1ccc(OC)c(/C=C\c2onc(C)c2[N+](=O)[O-])c1 16249573 XKYPRCDUBACSSY-XQRVVYSFSA-N 290.275 3.079 5 40 CGBB Cc1ccc(Oc2ncnc3sccc23)c([N+](=O)[O-])n1 6912406 NGSUEYQRVDQHNM-UHFFFAOYSA-N 288.288 3.095 5 40 CGBB COc1ccc([C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] 494827 BSPPTLGOZWAWGN-ZETCQYMHSA-N 262.092 3.265 5 40 CGBB C[C@H](Sc1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 49418431 NQXUXECXASYHHF-ZETCQYMHSA-N 292.320 3.104 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 7888975 AUTGRDKJRPXBLW-UHFFFAOYSA-N 282.299 3.336 5 40 CGBB Cc1ccc(C)c(C(=O)c2cccc([N+](=O)[O-])c2)c1 196040668 YFRXHCMYENKOBY-UHFFFAOYSA-N 255.273 3.443 5 40 CGBB O=c1[nH]c2c([N+](=O)[O-])cc(Cl)cc2c2ccccc12 16921831 NFKLYVAXETUJBR-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB O=[N+]([O-])c1ccc(NCCNC/C=C/c2ccccc2)cc1 8435914 VPKQOPXUUGRHQQ-QPJJXVBHSA-N 297.358 3.310 5 40 CGBB O=[N+]([O-])c1ccc(/C(=C/c2ccco2)[n+]2ccccc2)o1 5344607 KRRPYRVTGURHGZ-QBFSEMIESA-N 283.263 3.115 5 40 CGBB O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2sccc2N1 12429145 WKXPMRIDOSKGCK-SNVBAGLBSA-N 274.301 3.130 5 40 CGBB CC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1C 40445661 WONQUYOUPHJDFK-UHFFFAOYSA-N 262.290 3.229 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 37486769 YVYTYYDJRWDWTO-VIFPVBQESA-N 288.263 3.071 5 40 CGBB Cc1ccc(CNCc2cc(O)ccc2[N+](=O)[O-])cc1F 89643387 RJROHXCKFSPTCB-UHFFFAOYSA-N 290.294 3.038 5 40 CGBB Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293087 WRBYFGMHJUMHGD-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1C2 4829352 KKEJRNFFZBCZMW-JVLSTEMRSA-N 275.304 3.330 5 40 CGBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 13005331 PQLLTOFVTPEFHV-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB O=C1Nc2ccccc2/C1=C/c1cccc([N+](=O)[O-])c1 136953 BZWZITZVOQYHCA-LCYFTJDESA-N 266.256 3.088 5 40 CGBB C[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1 155088 AKMXALUKLMSKMK-UHFFFAOYSA-N 254.353 3.124 5 40 CGBB Cc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])s1 13844282 ZDKQFWWUIMTRCG-WAYWQWQTSA-N 250.279 3.432 5 40 CGBB Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 226292731 HKEDCTASCKNXBB-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB CCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4031604 JFIVGHPSHOYPAM-UHFFFAOYSA-N 277.305 3.067 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2C[C@H]1CO1 8040516 UNVIOCFVCMFMFJ-ZDUSSCGKSA-N 295.298 3.010 5 40 CGBB COc1ccc(C(=O)CC(=O)c2cccc([N+](=O)[O-])c2)cc1 100405779 IGEZAWGTOAHSLD-UHFFFAOYSA-N 299.282 3.059 5 40 CGBB CCCC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CCC)c1 5792116 JKQUSEUWDINGBP-UHFFFAOYSA-N 293.323 3.072 5 40 CGBB O=[N+]([O-])c1ccc(OCc2nc3ccccc3o2)c(F)c1 47355113 JVIXPPAQBDPWBJ-UHFFFAOYSA-N 288.234 3.454 5 40 CGBB CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])s1 10278847 NIHJGAGCJNJHGO-UHFFFAOYSA-N 294.307 3.068 5 40 CGBB CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1C 6040084 PYQCWWNSEBTMOB-UHFFFAOYSA-N 250.298 3.422 5 40 CGBB CC(=O)Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 7272409 ODCUPERPSSEIFF-UHFFFAOYSA-N 271.276 3.297 5 40 CGBB CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 15543886 CWXILKZVKAVMCM-UHFFFAOYSA-N 290.300 3.111 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/C=C2/SC(=S)N=C2O)cc1 1227821 GRHQEUZTGAMGES-XZMAOYBGSA-N 292.341 3.480 5 40 CGBB CCOC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 35333590 HJTCFYALVNMVSK-UHFFFAOYSA-N 282.054 3.217 5 40 CGBB O=[N+]([O-])c1cccnc1Nc1ccc(OC(F)F)cc1 7186082 VWYFIUSDKDGJLM-UHFFFAOYSA-N 281.218 3.335 5 40 CGBB CC(C)(C)NC(=O)c1ccc2nc3ccccc3nc2c1 408974342 FFIXQUBDOWYABQ-UHFFFAOYSA-N 279.343 3.311 5 40 CGBB CC1(C)C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C 327928 AOTRNHJANWOAIO-UHFFFAOYSA-N 262.309 3.216 5 40 CGBB Cc1c(-c2ccccc2)[nH]c(-c2ccc([N+](=O)[O-])cc2)[n+]1[O-] 5535707 AHZXDKYSYOTREI-UHFFFAOYSA-N 295.298 3.199 5 40 CGBB CCOc1ccc(Br)cc1/C=C/[N+](=O)[O-] 2581922 QFNIJVDUNMJDIX-AATRIKPKSA-N 272.098 3.095 5 40 CGBB Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 578005 MRGJELKCKQZLMA-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB CC[N+](CC)(CC)CC(F)(F)[C@H](F)C(F)(F)F 98210538 YWJHIAVBVBUEHY-QMMMGPOBSA-N 266.249 3.399 5 40 CGBB CCOc1cc(CSc2nncs2)ccc1[N+](=O)[O-] 276882801 IXSQAVIOBWYFII-UHFFFAOYSA-N 297.361 3.137 5 40 CGBB O=[N+]([O-])c1c(I)ccc2ccccc12 1600273 RIMCUZFCHBCDID-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB C[N+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)nc1 19701777 PUHXBHUWCKYEFK-DJZRFWRSSA-N 268.384 3.146 5 40 CGBB biogenic,in-vitro O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@H]3C=CC[C@H]23)cc1 3901029 MZGICHGTRFQXQA-IATJYDTKSA-N 296.330 3.361 5 40 CGBB O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2[nH]1 240502 HJEFQYCNOQBIQP-UHFFFAOYSA-N 266.256 3.103 5 40 CGBB CCOC(=O)c1ccc([C@H](C)[N+](C)(CC)CC)o1 507329 CBVJHPNQHKSMEF-NSHDSACASA-N 254.350 3.004 5 40 CGBB O=[N+]([O-])c1cccc(Cn2cnc3cc(F)c(F)cc32)c1 24380273 MHOCXHAOFPAXBX-UHFFFAOYSA-N 289.241 3.271 5 40 CGBB Cc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 20110557 DHALKCZBXWMGCF-ZDUSSCGKSA-N 298.342 3.323 5 40 CGBB O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 9501798 CBRUAYDVNOGDTF-UHFFFAOYSA-N 284.243 3.187 5 40 CGBB COc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 40225 KGIKMUWBWKYUPD-UHFFFAOYSA-N 297.723 3.198 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@H]2CC[C@H]1C2 104738367 NLUYJTPKNZKMJT-RCWTZXSCSA-N 294.376 3.211 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C)C1 17007746 IEZDVGLYVOGOKS-SNVBAGLBSA-N 277.324 3.167 5 40 CGBB O=[N+]([O-])c1ccc2c(O)c(-c3ccccc3)[nH]c2c1 3844601 HSTZQKLKVVFCDE-UHFFFAOYSA-N 254.245 3.449 5 40 CGBB O=C(O[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 12782558 JLXMNGWEFBFQSN-HNNXBMFYSA-N 283.283 3.439 5 40 CGBB Cc1csc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 6319376 DDWYAWMKMLBOTN-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB CC(C)c1ncc([N+](=O)[O-])n1C(=O)c1ccc(Cl)cc1 16576029 WMTYWKUHARCYGT-UHFFFAOYSA-N 293.710 3.257 5 40 CGBB Cc1c(CO)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 8701638 WCDDKLPSUUTPIV-UHFFFAOYSA-N 296.326 3.399 5 40 CGBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F 36781876 UBVCLFVZUDDZKH-MRVPVSSYSA-N 279.246 3.441 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(F)cc(F)c1 19163219 XBBLASRRNFLPEE-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB C[N+](C)(C)CCCCOC(=O)C12CC3CC(CC(C3)C1)C2 4310043 RYXOBJSKHRVGMH-UHFFFAOYSA-N 294.459 3.232 5 40 CGBB Cc1cc([N+](=O)[O-])nn1Cc1cccc(Cl)c1Cl 20353727 ULNZVCHUTCYEEM-UHFFFAOYSA-N 286.118 3.455 5 40 CGBB CC(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 68838798 RRMXMRYNLUYMKG-UHFFFAOYSA-N 260.249 3.003 5 40 CGBB Cc1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 226291478 QHBHNUSXBSMPDK-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB CC(C)(NCc1ccco1)c1ccc([N+](=O)[O-])cc1 80347013 VOURQYYMNSECFG-UHFFFAOYSA-N 260.293 3.213 5 40 CGBB CC[C@@H](C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 6723956 ILYQSMOKBANPJV-MRVPVSSYSA-N 278.333 3.380 5 40 CGBB CC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 14241159 KRBDYFWNXBTCOA-UHFFFAOYSA-N 276.336 3.246 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]2C1 8161041 VZIAEXVCIREFOC-OCCSQVGLSA-N 288.347 3.247 5 40 CGBB CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 45886182 WURMLPFINZGSMW-UHFFFAOYSA-N 254.717 3.485 5 40 CGBB O=[N+]([O-])c1c(Cl)c(Cl)cc2c1OC(F)(F)O2 39320664 ACEKMJYFBIBLQW-UHFFFAOYSA-N 271.990 3.223 5 40 CGBB O[C@@H]1C=Cc2ccc3c(ccc4ccccc43)c2[C@H]1O 5935230 XOKPMCWSKPASGO-AEFFLSMTSA-N 262.308 3.414 5 40 CGBB CCC(=O)Nc1nc(CC)c(-c2ccc([N+](=O)[O-])o2)s1 62049 JWDMROJRYFSYHS-UHFFFAOYSA-N 295.320 3.222 5 40 CGBB COC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 57351234 AZFAIJCTWJLDQU-SOFGYWHQSA-N 287.271 3.349 5 40 CGBB CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 27363918 OMXDRCBOWCWKTH-UHFFFAOYSA-N 284.743 3.414 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cccc(F)c1 19162078 PYZVHGJDLIRDLF-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB O=C(O)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 19845060 WAGHQKHIJQOTSW-UHFFFAOYSA-N 276.223 3.176 5 40 CGBB CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)s1 79021845 RAMJSXSMKZEVFO-QMMMGPOBSA-N 278.337 3.182 5 40 CGBB C[n+]1c2ccccc2n2c(=O)c3cccc4cccc(c43)c21 1510639 YEKTWYUPEWBGKZ-UHFFFAOYSA-N 285.326 3.021 5 40 CGBB O=[N+]([O-])c1cccnc1Oc1ccc(Cl)cc1 132645 PVLPMGSHOZNLFN-UHFFFAOYSA-N 250.641 3.436 5 40 CGBB Cc1c(Cl)c([N+](=O)[O-])c(C)c(Cl)c1[N+](=O)[O-] 4964156 HYRAGOBKBZGFKS-UHFFFAOYSA-N 265.052 3.427 5 40 CGBB CCCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 12764559 RZASCGNCUGCBEG-UHFFFAOYSA-N 273.292 3.128 5 40 CGBB O=[N+]([O-])c1c(Nc2ccc(F)cc2)nc2sccn12 8308411 WHVYLCSZCIMSAE-UHFFFAOYSA-N 278.268 3.187 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1 38776 UEIIAQKIXSAQLF-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB C[C@H]1CCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 1621349 RKVYPWDJWZOCNS-MUYFXNHWSA-N 268.489 3.130 5 40 CGBB O=C(NSc1ccc([N+](=O)[O-])cc1)c1ccccc1 2156398 ASCNTIAJJRMXMW-UHFFFAOYSA-N 274.301 3.032 5 40 CGBB CC(C)(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O 19869585 GZFFGWKJXGOJFG-UHFFFAOYSA-N 255.295 3.184 5 40 CGBB in-vitro Cc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 40169587 QVXFWJLEQIHZOQ-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 5533635 QRZNWWWQPFMBPZ-VIFPVBQESA-N 282.727 3.120 5 40 CGBB CC(C)=CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 161976008 VQGQSTXYQIIXOB-UHFFFAOYSA-N 274.320 3.052 5 40 CGBB COc1ccc(C[n+]2ccc3c([N+](=O)[O-])cccc3c2)cc1 1585524 OGBSASCGHMAXJA-UHFFFAOYSA-N 295.318 3.092 5 40 CGBB Cc1cc(C)cc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 8335572 IEJZZEBQRZOGEC-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 11201405 HTPXWWPHMPCWPA-MRXNPFEDSA-N 296.326 3.476 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 8406596 PAYZXRVLYVNQGZ-IUODEOHRSA-N 288.347 3.390 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@H]1C 226289513 AWHJMQSAIQQQRG-MFKMUULPSA-N 292.335 3.372 5 40 CGBB O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccc(F)cc2)n1 40175836 AEEHIXASRBKCTM-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB O=C(Nc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 6376327 KBQCUUZGLBPZKD-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB O=[N+]([O-])c1cccc(C2OCC3(CO2)C[C@H]2C=C[C@H]3C2)c1 100350574 JKNFZNJCPQALQA-OXELBQPXSA-N 287.315 3.223 5 40 CGBB O=[N+]([O-])c1cccc(C(=S)NCCc2ccccc2)c1 3338760 OWKPXMPDCRYZSU-UHFFFAOYSA-N 286.356 3.103 5 40 CGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 75311 REDLORXULQJGAK-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 1726178 ALRGBJGGAUWMJT-UHFFFAOYSA-N 298.406 3.068 5 40 CGBB COc1ccc(Cl)c2c(=O)c3ccccc3[nH]c12 4880520 OZNPNVSGTHNGNT-UHFFFAOYSA-N 259.692 3.343 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Oc1ccc2ccccc2c1 493884 QSHVRKJQAHHUCK-UHFFFAOYSA-N 269.260 3.274 5 40 CGBB Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])cc1 3471162 FKAKCQMIWJTHBV-UHFFFAOYSA-N 253.261 3.242 5 40 CGBB O=c1oc2ccccc2c(Nc2ccccc2O)c1[N+](=O)[O-] 13556668 QFXADPJJLJENFV-UHFFFAOYSA-N 298.254 3.150 5 40 CGBB Cc1cccc2c3nc4ccccc4nc3n(CC(=O)O)c12 4413104 UUZQSUXNPDDLRH-UHFFFAOYSA-N 291.310 3.131 5 40 CGBB O=C(Nc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1Cl 268121 KICNCWRVKCANQG-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Cl 4927497 VZHSGVHJZUKFGP-UHFFFAOYSA-N 292.682 3.287 5 40 CGBB Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 216925852 DBAXVAAJBDMMSH-UHFFFAOYSA-N 288.694 3.374 5 40 CGBB O=C(Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 242510 FYLVXSFYEBNIKC-UHFFFAOYSA-N 277.663 3.467 5 40 CGBB O=C(Cn1ccccc1=S)c1ccc([N+](=O)[O-])cc1 20031496 UYRCEJDTZFITRK-UHFFFAOYSA-N 274.301 3.009 5 40 CGBB COc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 8308513 CCHYDKZPIGXCRV-UHFFFAOYSA-N 290.304 3.056 5 40 CGBB O=C1CCCc2cc(Oc3ncccc3[N+](=O)[O-])ccc21 65620951 HQCDFIYTMOTYBV-UHFFFAOYSA-N 284.271 3.301 5 40 CGBB O=C(Nc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 8780240 RDUDAHZYGRJZOQ-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB CC(C)OC(=S)SCC(=O)c1ccc([N+](=O)[O-])cc1 1743819 UJANSKYAIWAUJB-UHFFFAOYSA-N 299.373 3.221 5 40 CGBB C[C@@H](Sc1ncccn1)c1cccc([N+](=O)[O-])c1 12686481 OOSTVMHIUZTBQL-SECBINFHSA-N 261.306 3.238 5 40 CGBB O=C(Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] 7649243 WTYNUBWFSWCTDY-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=C(O)c1cccc([N+](=O)[O-])c1Sc1ccccc1 35572161 VRZOXXQWWINDLO-UHFFFAOYSA-N 275.285 3.444 5 40 CGBB COC(=O)c1ccc(N(C(C)C)C(C)C)c([N+](=O)[O-])c1 216852192 BTHITXHQCLGVQQ-UHFFFAOYSA-N 280.324 3.005 5 40 CGBB Cc1c(C(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] 12817289 NASILCLZZWGSSE-UHFFFAOYSA-N 270.288 3.180 5 40 CGBB CC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 365744 BVLPGPPHLSHWBG-UHFFFAOYSA-N 256.261 3.220 5 40 CGBB Cc1cccc(C(=O)Oc2ccccc2[N+](=O)[O-])c1 358436 FCSPFCCVCHCVJE-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB Cc1ncsc1CCOc1cc(F)ccc1[N+](=O)[O-] 69701860 QZWYIFQJEBEGDU-UHFFFAOYSA-N 282.296 3.120 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 10278884 UKAGJUVTNFKCHR-VIFPVBQESA-N 276.317 3.147 5 40 CGBB CSC[C@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 96413369 QFANPLVPDXUKER-JTQLQIEISA-N 297.380 3.118 5 40 CGBB CC(=O)c1ccc(C)cc1OC(=O)c1ccccc1[N+](=O)[O-] 265342 LNWRNYAAOIWLBR-UHFFFAOYSA-N 299.282 3.325 5 40 CGBB O=[N+]([O-])c1ccccc1CN1CCC(C(F)(F)F)CC1 75997593 XHLMYKXGEAFNSE-UHFFFAOYSA-N 288.269 3.369 5 40 CGBB CCC[N+](C)(C)[C@@H](C)[C@@H](OC(C)=O)c1ccccc1 5252407 DEAFFDUUUHQLEP-XJKSGUPXSA-N 264.389 3.166 5 40 CGBB Cc1ccc(NC(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 4462458 VJACBXQFZVYQME-UHFFFAOYSA-N 297.525 3.212 5 40 CGBB O=[N+]([O-])c1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 13208281 PMOWPCHLERCDJI-UHFFFAOYSA-N 277.261 3.049 5 40 CGBB Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C 16506079 DYRMNESWIUJGDU-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB CC(C)[N+](C)(C)C[C@@H](O)COc1ccc2ccccc2c1 307848 CJHVSQGLLNAXIL-QGZVFWFLSA-N 288.411 3.064 5 40 CGBB CCCCOc1nc2ccc([N+](=O)[O-])cc2s1 1686947 VUIYBOLQYRHLEV-UHFFFAOYSA-N 252.295 3.383 5 40 CGBB Cc1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 41146136 ZFMNVMOPRHXGFX-UHFFFAOYSA-N 283.287 3.359 5 40 CGBB Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 3343731 YJWVTAJFZHTQIQ-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 6497692 VFEAEUAVLAWVNZ-GXDHUFHOSA-N 280.283 3.112 5 40 CGBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 236284 YDENJWGVACIEBL-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1F 3416278 QKYNMDQDBYRHBX-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB CCCCNC(=O)CS[C@H](C)c1cccc([N+](=O)[O-])c1 7132982 DICPLZFKBRWLST-LLVKDONJSA-N 296.392 3.305 5 40 CGBB N#C[C@@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 129307 QQXSHVPSBDZQCC-CQSZACIVSA-N 282.255 3.016 5 40 CGBB O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1)C1CC1 12528231 RHZDKMYUQBQNMF-UHFFFAOYSA-N 298.302 3.082 5 40 CGBB O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)c2nonc12 4362014 SBKKMTLEDRSXCH-UHFFFAOYSA-N 274.211 3.014 5 40 CGBB C[C@H](O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 48894411 BQVKIETUUDTDBK-NSHDSACASA-N 272.304 3.260 5 40 CGBB C[N+]1(C)CCC[C@H](C(O)(c2ccccc2)c2ccccc2)C1 1250193 VPANIVFJGZPDNU-IBGZPJMESA-N 296.434 3.409 5 40 CGBB CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 578733 RSHFLRFPQFJURW-UHFFFAOYSA-N 299.282 3.407 5 40 CGBB Brc1ccc2c[n+]3ccccc3cc2c1 1713664 KHHYLRJGNLNWSB-UHFFFAOYSA-N 259.126 3.341 5 40 CGBB Cc1ncc([N+](=O)[O-])n1Cc1c(Cl)cccc1Cl 15019247 VSFNILBSACQJDB-UHFFFAOYSA-N 286.118 3.455 5 40 CGBB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 86012 BGBZSEHDOFXGAO-LBPRGKRZSA-N 296.326 3.115 5 40 CGBB Cn1c(-c2cccs2)nc2cc([N+](=O)[O-])ccc21 75272783 BTZAKRSIYMGOKV-UHFFFAOYSA-N 259.290 3.210 5 40 CGBB CCCN(CCC)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 216852035 XRXWRFODEWEDDL-UHFFFAOYSA-N 280.324 3.008 5 40 CGBB Cc1noc(C)c1CNc1cccc([N+](=O)[O-])c1C 29399477 AGOJEGQHUQWIJO-UHFFFAOYSA-N 261.281 3.120 5 40 CGBB Cc1cc([N+](=O)[O-])c(Cl)cc1I 14986043 QKCJKTFOGQXDPE-UHFFFAOYSA-N 297.479 3.161 5 40 CGBB O=C(O)Cc1c(CC(=O)O)c2ccccc2c2ccccc12 137050 SGNRGTSIOPTDHM-UHFFFAOYSA-N 294.306 3.247 5 40 CGBB C[C@@]1(c2ccccc2)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]21 535999 NNEFSNCOOGBWSC-USXIJHARSA-N 294.310 3.285 5 40 CGBB Cc1cc([N+](=O)[O-])c(N2CCC(C)CC2)c([N+](=O)[O-])c1 45886725 ZYXYOKRFCHNFCF-UHFFFAOYSA-N 279.296 3.048 5 40 CGBB Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1[N+](=O)[O-] 14069904 NYBBYCMUKRLJNK-NSHDSACASA-N 260.293 3.198 5 40 CGBB Cc1nc(N[C@H](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] 96472193 OHHLBMPDNXQEHD-ZYHUDNBSSA-N 279.340 3.058 5 40 CGBB COc1ccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 17128824 ASQILWIGQHHKOO-XNTDXEJSSA-N 299.282 3.229 5 40 CGBB O=C(NCCCCc1ccccc1)c1ccccc1[N+](=O)[O-] 6338967 GMPFHDUVMVUSIY-UHFFFAOYSA-N 298.342 3.348 5 40 CGBB CCCCCNc1ncnc2ccc([N+](=O)[O-])cc12 81588982 PRYZJYQYLNNNCA-UHFFFAOYSA-N 260.297 3.140 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccnc2)cc1OC(F)F 84425083 ZGJYMKLOEPTJTL-UHFFFAOYSA-N 295.245 3.203 5 40 CGBB Cc1ccc(C(=O)O)c([N+](=O)[O-])c1OCc1ccccc1 1685043 KGXQEFGUQIDSMG-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 42316316 JJFKVOZTYOEWCJ-LLVKDONJSA-N 257.293 3.471 5 40 CGBB O=[N+]([O-])c1ccc2nc(-c3cccc(F)c3)[nH]c2c1 57351390 RAKBZEMHWNTVCY-UHFFFAOYSA-N 257.224 3.277 5 40 CGBB O=C(Nc1ccccc1)OCc1ccccc1[N+](=O)[O-] 3848118 AHBXIXRJLUDQNU-UHFFFAOYSA-N 272.260 3.344 5 40 CGBB biogenic CC(=O)[C@@H](C)Sc1ccc(Cl)cc1[N+](=O)[O-] 339730 ZOVXKZDFNPZXQS-SSDOTTSWSA-N 259.714 3.318 5 40 CGBB O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)nc1 29530983 YJZGQTQVIZYJIK-UHFFFAOYSA-N 299.330 3.079 5 40 CGBB Cc1c(NC(=O)Cc2ccccc2F)cccc1[N+](=O)[O-] 12775841 MDBSRSWXCOSHRN-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB Cc1ccc(NC(=O)c2cccs2)cc1[N+](=O)[O-] 367560 ZENMBBZZFJCAJC-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB C[C@]1(c2ccccc2)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]21 101424058 NNEFSNCOOGBWSC-BHYGNILZSA-N 294.310 3.285 5 40 CGBB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] 25868465 LDBRINZSICWGTA-LLVKDONJSA-N 260.293 3.198 5 40 CGBB O=C(N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 10960202 REIQYFQYLNYDER-OAHLLOKOSA-N 282.299 3.012 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 42293870 RZJSIXBPCABRJR-VIFPVBQESA-N 261.256 3.302 5 40 CGBB O=C(Nc1cccc(Nc2ncccc2[N+](=O)[O-])c1)C1CC1 12538275 ZKSWPVURAJQZKA-UHFFFAOYSA-N 298.302 3.082 5 40 CGBB Cc1ccc(F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 12756393 QYHUDTYCZOARRO-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB CC(C)OC1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 95434263 PXWKDOGORUKBIC-UHFFFAOYSA-N 292.379 3.421 5 40 CGBB CC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 267875 YLXNJROEQOEODN-UHFFFAOYSA-N 277.349 3.441 5 40 CGBB CN(Cc1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 8918967 CSWMDGPVCLLUQD-UHFFFAOYSA-N 291.332 3.320 5 40 CGBB O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)cc1 5578608 MKBFCCDCVFHRLX-UHFFFAOYSA-N 257.114 3.129 5 40 CGBB CCOC(=O)c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 73640203 QLSYSZCRMQKXLG-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1F 73742511 FHNINHWAQSVPPZ-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB O=C(NC1CCCCC1)OCc1ccc([N+](=O)[O-])cc1 16401651 LUUIVEHYDHCFAR-UHFFFAOYSA-N 278.308 3.154 5 40 CGBB Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(F)cc1 5883457 MHKQWIHDQQJNPH-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CC(=O)[C@H](C)Sc1ccc(Cl)cc1[N+](=O)[O-] 339727 ZOVXKZDFNPZXQS-ZETCQYMHSA-N 259.714 3.318 5 40 CGBB O=[N+]([O-])c1cccc(OCc2cc(-c3ccco3)on2)c1 25398572 HJFSCGVJDBRYQS-UHFFFAOYSA-N 286.243 3.422 5 40 CGBB Cc1cc(C(=O)NCC2CCCCC2)ccc1[N+](=O)[O-] 3549787 GRXNMIHMDPPKLN-UHFFFAOYSA-N 276.336 3.213 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C 2034954 NBISHTWEXSTERI-LLVKDONJSA-N 277.324 3.310 5 40 CGBB O=[N+]([O-])c1c(C(F)(F)F)n[nH]c1-c1ccccc1 16159167 FAHRYEXMSLOYOP-UHFFFAOYSA-N 257.171 3.004 5 40 CGBB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc([N+](=O)[O-])ccc1Cl 249893091 FAQKTCOOVWCSGT-RVBZMBCESA-N 294.738 3.167 5 40 CGBB O=C(O)c1cccc2ccc3cccc(C(=O)O)c3c12 1733829 RAGXPRCIICFJIK-UHFFFAOYSA-N 266.252 3.389 5 40 CGBB in-vitro O=C(O)c1cc(/C=C/c2ccccc2)ccc1[N+](=O)[O-] 1610707 WZECHOIXBZIMAD-VOTSOKGWSA-N 269.256 3.463 5 40 CGBB CN1CC=C(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 95446200 GRPBLGBXZARIKF-UHFFFAOYSA-N 295.770 3.312 5 40 CGBB COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1464864 HNEKJZRZWXCUFF-VQHVLOKHSA-N 273.244 3.041 5 40 CGBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC1 189291 WICSMAUKIUZQOM-UHFFFAOYSA-N 276.317 3.046 5 40 CGBB C[C@H]1CCCCN1c1cc2sc(N)nc2cc1[N+](=O)[O-] 20154710 CFBXOHRXVNMKKC-QMMMGPOBSA-N 292.364 3.166 5 40 CGBB CC(=O)OCCC/C(=C\c1ccc(Cl)cc1)[N+](=O)[O-] 4995189 IOABFHASKMOJTB-UKTHLTGXSA-N 283.711 3.301 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1=Cc2ccccc2OC1 5034226 SCWOGNRJIISVLY-UHFFFAOYSA-N 296.282 3.009 5 40 CGBB O=[N+]([O-])c1cc(Cl)cnc1Sc1ccncc1 96485863 GGYWWDVVUFXHGC-UHFFFAOYSA-N 267.697 3.189 5 40 CGBB O=C(Oc1ccc2oc3ccccc3c2c1)[C@H]1C[C@H]1[N+](=O)[O-] 32932053 UTHVAILYIKSVLA-QWHCGFSZSA-N 297.266 3.157 5 40 CGBB Cc1cc(C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 2651982 RECVVROWHHYXHX-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB O=C(O[C@H]1C=C[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 19799834 UEZJBGRYPHGUOE-JKOKRWQUSA-N 273.288 3.106 5 40 CGBB Cn1cc(-c2ccc([N+](=O)[O-])cc2)c(C=O)c1Cl 239562926 LQRWWDMBCVCGKL-UHFFFAOYSA-N 264.668 3.066 5 40 CGBB COC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 911795 WPQYXWQLXBALGW-UHFFFAOYSA-N 298.254 3.190 5 40 CGBB Cc1ccc(C(=O)Oc2ccccc2/C=C/[N+](=O)[O-])cc1 107686858 LXAGBKKCKSMPMJ-ZHACJKMWSA-N 283.283 3.462 5 40 CGBB O=C(C1CC1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 109734709 GQBFXAMRKQUMJD-UHFFFAOYSA-N 274.320 3.280 5 40 CGBB Cc1nc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 80347018 KMPNKTARRXVRCM-UHFFFAOYSA-N 291.376 3.385 5 40 CGBB CCOC(=O)c1c(C)[nH]c(C)c1-c1cccc([N+](=O)[O-])c1 3058472 NAZYMHOFNHJEOD-UHFFFAOYSA-N 288.303 3.383 5 40 CGBB Cc1ccc(NC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] 6503933 FJHPEGZWUCTCHX-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB S=C(Nc1ccc2nc3ccccc3nc2c1)NC1CC1 107704928 MPOPHVWPMRFKOO-UHFFFAOYSA-N 294.383 3.232 5 40 CGBB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=O)o1 408973986 SSJMOCFINCCMNZ-UHFFFAOYSA-N 281.651 3.329 5 40 CGBB O=C(CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 199736925 ICAOXWZFPACZJV-UHFFFAOYSA-N 299.282 3.139 5 40 CGBB C[N+](C)([O-])CC(Oc1ccccc1)Oc1ccccc1 2381641 CIWNRPOALOVACD-UHFFFAOYSA-N 273.332 3.045 5 40 CGBB O=[N+]([O-])c1ccc(-n2ccc3ccccc32)c([N+](=O)[O-])c1 107718029 UXCPHMFSPABIMG-UHFFFAOYSA-N 283.243 3.447 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 3339301 WLWWRASURDMOAH-UHFFFAOYSA-N 290.300 3.111 5 40 CGBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 15744594 ITLQGFWYHCXSAR-SNVBAGLBSA-N 290.344 3.190 5 40 CGBB Cc1ccccc1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 21012202 HVIWNROFPOWXDA-UHFFFAOYSA-N 272.260 3.345 5 40 CGBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 9513714 UUYPORLIOBXRIL-BETUJISGSA-N 291.376 3.098 5 40 CGBB O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1c(F)cccc1F 152897 VHFDBSYDHBQTIQ-UHFFFAOYSA-N 297.188 3.231 5 40 CGBB C[C@@H]1OC(c2c(Cl)cccc2[N+](=O)[O-])O[C@@H]1C 17142839 KQYZVALQCRXSTA-NIAPBFKXSA-N 257.673 3.071 5 40 CGBB Cc1ccc(C)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 217769 ICZNHRBXCSGDDY-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB CC(C)CN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 26625271 FWAZTXKBTNPEEH-UHFFFAOYSA-N 288.351 3.022 5 40 CGBB CNCCCCOc1cccc2c(=O)c3ccccc3oc12 4128833 IKEOQUJJMNVMNU-UHFFFAOYSA-N 297.354 3.325 5 40 CGBB Cc1cc(C)cc(NC(=O)c2ccccc2CC[N+](=O)[O-])c1 5379040 CDBOVUJVTMSCMF-UHFFFAOYSA-N 298.342 3.375 5 40 CGBB CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 38771552 RYLZFGGFFUUGEP-OAHLLOKOSA-N 298.342 3.405 5 40 CGBB COc1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 57648061 LQIAPXZYMIMMBI-UHFFFAOYSA-N 273.288 3.491 5 40 CGBB C[C@H]1C[N+](Cc2ccccc2)(Cc2ccccc2)O[C@H]1O 3151200 DNZYVJMPVPIUFD-MAUKXSAKSA-N 284.379 3.103 5 40 CGBB CCn1c(C)nc([N+](=O)[O-])c1Sc1ccccc1 481350 FHHZIANRFJYJEN-UHFFFAOYSA-N 263.322 3.271 5 40 CGBB CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 1703762 FJHNMGFQAUGWCD-UHFFFAOYSA-N 271.276 3.263 5 40 CGBB O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccc([N+](=O)[O-])cc1 1744918 JJXUABQDTODGDH-SJORKVTESA-N 295.294 3.234 5 40 CGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 5546802 YYVYHOZCOIZZLV-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB CCCCSc1cc([N+](=O)[O-])c2c(=O)[nH]c(C)nc2c1 4632414 NAIOOHFTJMRBOK-UHFFFAOYSA-N 293.348 3.032 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 4032119 VYEZXHFIAHYAAP-CMDGGOBGSA-N 293.282 3.298 5 40 CGBB CCOc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293171 VCBUODORRQTKCM-INIZCTEOSA-N 287.315 3.384 5 40 CGBB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 288651 QCWPCSVUNDHRPB-NXEZZACHSA-N 296.754 3.366 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1 16429326 MYSBIIIXIDXVCT-UHFFFAOYSA-N 274.667 3.187 5 40 CGBB Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)no1 24834174 QOVPMQDFMSEOTR-UHFFFAOYSA-N 298.258 3.141 5 40 CGBB C[C@@H]1CCCN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 4300024 YGOFPKSTSOPTPT-SNVBAGLBSA-N 281.331 3.036 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@H]2CC[C@H]1C2 104738364 NLUYJTPKNZKMJT-NAKRPEOUSA-N 294.376 3.211 5 40 CGBB CC(=O)c1cc(N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] 8762668 BHOBIHHOXKMPIG-JTQLQIEISA-N 262.309 3.034 5 40 CGBB COc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 5586949 WZJZEMMMZTVEAK-UHFFFAOYSA-N 288.259 3.045 5 40 CGBB O=C(O)c1cccc2c(N3CCCC3)ccc([N+](=O)[O-])c12 62719861 CTENMIRNFDAAPN-UHFFFAOYSA-N 286.287 3.046 5 40 CGBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 7071410 BRZRTQIYTKKVLG-SOFGYWHQSA-N 272.260 3.148 5 40 CGBB O=[N+]([O-])c1ccc(C[S@@](=O)Cc2ccccc2)cc1 5048905 QXCMIJOWNYUJSB-LJQANCHMSA-N 275.329 3.044 5 40 CGBB in-vitro COCCN(c1ccc([N+](=O)[O-])cc1F)C1CCCC1 65229390 KGFDWTDDOUWCQX-UHFFFAOYSA-N 282.315 3.129 5 40 CGBB Cc1ccc([C@H](C)OC(=O)c2cscn2)cc1[N+](=O)[O-] 84190201 UPOBNLQTLJXAAP-VIFPVBQESA-N 292.316 3.278 5 40 CGBB C[N+](C)(C)Cc1ccccc1C(=O)c1ccccc1 4974308 TZFSAZCHGRJYAJ-UHFFFAOYSA-N 254.353 3.124 5 40 CGBB O=C(/C=C/c1ccco1)Nc1cc([N+](=O)[O-])c(F)cc1F 32901913 XTNCUTRYDAKEEV-ONEGZZNKSA-N 294.213 3.118 5 40 CGBB Cc1c(NC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 125577 UXWCIJAOIOOQQO-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB Cc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 5548653 ZJMWIVGAKMCORX-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB Cc1ccc([N+](=O)[O-])c(NC(=O)C(C)(C)C)c1C 16697706 OZYWCQOQNIOIOP-UHFFFAOYSA-N 250.298 3.196 5 40 CGBB CC(C)N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 33916064 AWKHKYFSNUFTQA-XFFZJAGNSA-N 292.316 3.040 5 40 CGBB Cc1ccc([C@@H](C)OC(=O)c2cscn2)cc1[N+](=O)[O-] 84190200 UPOBNLQTLJXAAP-SECBINFHSA-N 292.316 3.278 5 40 CGBB COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@H](C2)[N+](C)([O-])CC3 103844835 ZIZQARJISFQDMO-RETMSFNHSA-N 287.403 3.396 5 40 CGBB N=c1ccc2nc3ccc(N)cc3n(-c3ccccc3)c-2c1 203987252 BRIVBWFAYJXXQV-UHFFFAOYSA-N 286.338 3.192 5 40 CGBB COc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1 12082671 KHDKBNRXUNQSAY-UHFFFAOYSA-N 296.286 3.290 5 40 CGBB CCOC(=O)c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)c1 2392592 SWKDJQQHAVHZIZ-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB CCc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 226291418 VZJWACYUNUVFFL-UHFFFAOYSA-N 255.273 3.388 5 40 CGBB C[C@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 579944 AGCQNDIKGISYDP-LBPRGKRZSA-N 284.315 3.015 5 40 CGBB O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccc2c(c1)OCO2 140459 MNOXMLFPCBCFJG-INIZCTEOSA-N 297.266 3.167 5 40 CGBB biogenic,in-vitro CC(=O)Nc1ccc2c(c1)C[N+](C)(C1CCCCC1)CO2 1689535 AKAMTRFPCRZKLR-UHFFFAOYSA-O 289.399 3.274 5 40 CGBB O=C1Nc2ccccc2[C@@H]1CCNc1ccccc1[N+](=O)[O-] 103101322 LOEYJBJAUITSRU-LBPRGKRZSA-N 297.314 3.133 5 40 CGBB O=[N+]([O-])c1cccc(-c2ccnn2-c2ccccc2)c1 20635947 VYUXJOKDYGEOBD-UHFFFAOYSA-N 265.272 3.448 5 40 CGBB O=[N+]([O-])c1ccc(NCCc2ccccn2)c2ccncc12 5689400 JQOMSUSSEJPBAB-UHFFFAOYSA-N 294.314 3.193 5 40 CGBB CC(=O)CCc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 7186345 DTXQXQAJBHETSR-UHFFFAOYSA-N 286.287 3.304 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCO[C@H](C)C1 95458009 VMSRFJAESGQCHN-NEPJUHHUSA-N 264.325 3.130 5 40 CGBB O=[N+]([O-])c1ccc2nc(SCc3cccnc3)[nH]c2c1 6276620 PKQZEDLWGUJSIX-UHFFFAOYSA-N 286.316 3.158 5 40 CGBB COC(=O)c1cccc2c(Cl)ccc([N+](=O)[O-])c12 62719869 UHYHLZVXEOEBNH-UHFFFAOYSA-N 265.652 3.188 5 40 CGBB O=[N+]([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 35018426 ANCXYUTYAMHILA-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cccs2)n1 71977542 FCCPORULKOFGQT-UHFFFAOYSA-N 298.327 3.363 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)C 45888254 WYUVYDQRFAWXEB-UHFFFAOYSA-N 264.325 3.450 5 40 CGBB O=C(O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 21982931 GHCVNNFGIZNCMK-UHFFFAOYSA-N 296.282 3.296 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 364421 WJFBDOXBUHNOLK-UHFFFAOYSA-N 285.234 3.451 5 40 CGBB CCOc1ccc([N+](=O)[O-])cc1N1Cc2ccccc2C1=N 3165165 HOEXTFAECPUTLC-UHFFFAOYSA-N 297.314 3.339 5 40 CGBB O=[N+]([O-])c1cc2c(cc1SC1CCCC1)OCCO2 9154268 CHIXGQTYIZTSDX-UHFFFAOYSA-N 281.333 3.401 5 40 CGBB C[C@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 288652 QCWPCSVUNDHRPB-UWVGGRQHSA-N 296.754 3.366 5 40 CGBB C[C@H]1CCc2nc(N)c3c(=O)oc4ccccc4c3c2C1 103571409 YZQNEAUAAMPGIY-VIFPVBQESA-N 280.327 3.048 5 40 CGBB CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 123357 PGTOSGHDVYBELJ-UHFFFAOYSA-N 282.727 3.120 5 40 CGBB Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(C=O)n2c1 2599659 JLZQPONHDWXWTI-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccc(OC(F)F)cc2)nc1 22807063 QOXZDPXCDYQLEQ-UHFFFAOYSA-N 295.245 3.203 5 40 CGBB Cc1c(CNc2cccc(CO)c2)cccc1[N+](=O)[O-] 97037433 CQTSUDMNPJFDIG-UHFFFAOYSA-N 272.304 3.008 5 40 CGBB COc1ccc(C)cc1Nc1ncccc1[N+](=O)[O-] 9314181 PZSGFRVDKVHCSN-UHFFFAOYSA-N 259.265 3.050 5 40 CGBB CCCn1nc(Br)c2cc([N+](=O)[O-])ccc21 72220010 FPIIDRRONOOXFL-UHFFFAOYSA-N 284.113 3.117 5 40 CGBB O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cccs1 6220879 NGBGSWITNSSTOG-FLIBITNWSA-N 275.285 3.282 5 40 CGBB O=[N+]([O-])c1cccnc1NCC1(c2ccccc2)CC1 32871921 DNOPPUDTYBGNQS-UHFFFAOYSA-N 269.304 3.134 5 40 CGBB CN=[S@@](=O)(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 13763605 ZNNXLCYPPCJEQL-FQEVSTJZSA-N 292.316 3.046 5 40 CGBB CC(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 14093443 OJROLAHXTMXERR-UHFFFAOYSA-N 291.332 3.427 5 40 CGBB CC[C@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 75138134 DMUHJGPYBTXOAD-JTQLQIEISA-N 297.318 3.429 5 40 CGBB Cc1nn([C@H](C)c2ncc(C(C)(C)C)o2)c(C)c1[N+](=O)[O-] 89124264 JRZPXDPPBIYOLU-SNVBAGLBSA-N 292.339 3.303 5 40 CGBB Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2Cl)n1 12398522 HUGYPEPVOJNCFQ-UHFFFAOYSA-N 251.673 3.051 5 40 CGBB Cc1cnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 10622788 JVPSMONDPHHFDM-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB Cc1nc(Sc2ccccc2[N+](=O)[O-])oc1C 12771324 ARDNHBVUPSJABO-UHFFFAOYSA-N 250.279 3.351 5 40 CGBB Cc1ccc2oc3ccc([N+](=O)[O-])cc3c(=O)c2c1 4753489 DVKKFDYVLKKUTL-UHFFFAOYSA-N 255.229 3.163 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1OCC[C@@H]1CCCCN1 42771356 SNTHFAZOLCHVMZ-NSHDSACASA-N 284.743 3.159 5 40 CGBB COc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 60497 GCUQCANQGRIXCD-JXMROGBWSA-N 298.298 3.255 5 40 CGBB biogenic CC[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100716388 NKLPFSZKMVOBNM-IIAWOOMASA-N 254.438 3.314 5 40 CGBB O=NN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F 35326144 ZGRUUWDCOGSLMG-UHFFFAOYSA-N 275.239 3.422 5 40 CGBB N[C@H](CC(=O)O)c1cc2ccccc2c2ccccc12 2387388 QFXIFASEONFLKO-MRXNPFEDSA-N 265.312 3.468 5 40 CGBB O=[N+]([O-])c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 33559376 FAHRDVODAHLFLE-UHFFFAOYSA-N 257.224 3.277 5 40 CGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCC1 226170102 JQBVARXKZLIYPH-XDNAFOTISA-N 298.491 3.065 5 40 CGBB Cc1cccn2c(C=O)c(-c3cccc([N+](=O)[O-])c3)nc12 2510924 CYRAZYGNOQUEOO-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB O=C(Nc1ccccc1)n1ncc2ccc([N+](=O)[O-])cc21 6603120 BUPKKTCVRVNZCM-UHFFFAOYSA-N 282.259 3.025 5 40 CGBB COC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1 22205224 CYBLJNYBCGAOFJ-UHFFFAOYSA-N 257.245 3.048 5 40 CGBB COc1cccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 26507816 WZCKWSZDAPWTKF-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB COc1cc(NCc2scnc2C)c([N+](=O)[O-])cc1F 95412038 MJLAVBNDFSIMJY-UHFFFAOYSA-N 297.311 3.120 5 40 CGBB COc1ccc([N+](=O)[O-])cc1C(=O)OC1CCCCC1 39982765 ZTJHINBTGSKTDY-UHFFFAOYSA-N 279.292 3.093 5 40 CGBB C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C 4680566 VFAVJEWMCUMXJP-JTNHKYCSSA-N 276.336 3.149 5 40 CGBB Cc1nc(N[C@H](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] 96472188 OHHLBMPDNXQEHD-PWSUYJOCSA-N 279.340 3.058 5 40 CGBB Cc1ccc(COc2ncnc3cc([N+](=O)[O-])ccc23)cc1 3300001 NWRFCJKDFIXXMQ-UHFFFAOYSA-N 295.298 3.425 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1I 45889803 DGBUJWYSSXKPBN-UHFFFAOYSA-N 291.088 3.070 5 40 CGBB O=c1oc2ccccc2c(Nc2ccc(O)cc2)c1[N+](=O)[O-] 17122920 VMBZJCQIQOYRTO-UHFFFAOYSA-N 298.254 3.150 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100757512 UBCQEAQWETXMQV-FMVNMVDZSA-N 288.347 3.149 5 40 CGBB O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(F)cc2)o1 39019 VUGSBBONIJVDGZ-UHFFFAOYSA-N 285.234 3.451 5 40 CGBB Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 10447532 XDEDKPGLRMDNGC-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 3446946 OBECSFWWJMNIFG-JTQLQIEISA-N 288.278 3.225 5 40 CGBB Cc1cc(OCc2ccccn2)c(F)cc1[N+](=O)[O-] 185681622 UAWGRPDGSGKGBC-UHFFFAOYSA-N 262.240 3.016 5 40 CGBB Cn1nccc1/C=C/c1ccc2cc([N+](=O)[O-])ccc2n1 184766949 DJVVZRXMVZTICE-SNAWJCMRSA-N 280.287 3.047 5 40 CGBB Cc1cnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 3155166 MSXYFGLFSPNILM-QPJJXVBHSA-N 289.316 3.012 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2CCCC[C@@H]21 1020910 UIFLHGMKOCKTAP-DOMZBBRYSA-N 288.347 3.390 5 40 CGBB O=[N+]([O-])c1ccc(Cc2ccccc2[N+](=O)[O-])cc1 2556787 CGLMICLDWFELRK-UHFFFAOYSA-N 258.233 3.094 5 40 CGBB Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1[N+](=O)[O-] 2737735 ZFXKMXRMDAWWTM-UHFFFAOYSA-N 264.325 3.162 5 40 CGBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+]1(C)CCCC1)C2 4350117 DLBBKYDCFBRYEZ-INMHGKMJSA-N 266.449 3.458 5 40 CGBB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+]1(C)CCCC1)C2 4834306 DLBBKYDCFBRYEZ-YQQAZPJKSA-N 266.449 3.458 5 40 CGBB O=[N+]([O-])c1cccc(OCc2ccc(Cl)nc2)c1 19404397 UKGXHCXYZWELKJ-UHFFFAOYSA-N 264.668 3.222 5 40 CGBB O=[N+]([O-])c1cccc(CNCCc2ccccc2F)c1 20047647 BGFURISTYLYTJL-UHFFFAOYSA-N 274.295 3.066 5 40 CGBB O=C(NCc1ccsc1)c1c(Cl)cccc1[N+](=O)[O-] 95394681 JSICKLLUEPHQEC-UHFFFAOYSA-N 296.735 3.240 5 40 CGBB COc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 40169580 JOJPWMDMYQDNEX-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB Cc1cc(NC(=O)CCC(F)(F)F)ccc1[N+](=O)[O-] 96494869 LWMCFPYERPMMQW-UHFFFAOYSA-N 276.214 3.184 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCCCC1 16282558 BFZWGTAIDDAEBV-UHFFFAOYSA-N 277.324 3.357 5 40 CGBB COc1cc2ccc(/C=C/[N+](=O)[O-])cc2cc1OC 1766013 YBDAKNRCMRSZFU-AATRIKPKSA-N 259.261 3.104 5 40 CGBB CC(=O)Nc1cccc2c1Cc1cc([N+](=O)[O-])ccc1-2 1704654 BWLIJDYWCOAPQW-UHFFFAOYSA-N 268.272 3.124 5 40 CGBB O=C(/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] 4416215 YDJUEIUOYJLVFY-ZHACJKMWSA-N 268.272 3.247 5 40 CGBB COC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccccc1C 169801312 AGQXTPCOZSGARY-HNNXBMFYSA-N 285.299 3.208 5 40 CGBB CC(C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 152199524 COASKYTTWRLANW-UHFFFAOYSA-N 276.336 3.132 5 40 CGBB O=C1c2cc(F)ccc2-c2c(F)cc([N+](=O)[O-])cc21 1638390 LEMSRARECSIWDD-UHFFFAOYSA-N 261.183 3.084 5 40 CGBB CSc1ccc([C@H](C[N+](=O)[O-])n2nc(C)cc2C)cc1 6611427 GNZLJKNVYGVCTE-AWEZNQCLSA-N 291.376 3.088 5 40 CGBB COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 22804768 WZSCECTXUNIICU-OAHLLOKOSA-N 299.330 3.340 5 40 CGBB COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC 408542973 MMFUGPRORFBESC-ALCCZGGFSA-N 290.275 3.079 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1OCc1nc(C)c(C)o1 95438575 BVGJFXSLJCYNBV-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB CN(C)CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 1570584 OSANCIWQZKYGKB-UHFFFAOYSA-N 283.331 3.264 5 40 CGBB CCOC(=O)c1c(Cl)cc([N+](=O)[O-])cc1Cl 199059393 ALDRSHFHUIXLBP-UHFFFAOYSA-N 264.064 3.078 5 40 CGBB CCCN(C(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1 194144645 NSAQLCILISGYEQ-UHFFFAOYSA-N 285.303 3.047 5 40 CGBB CC(=O)c1ccc(Nc2ncccc2C)c([N+](=O)[O-])c1 225208267 GJIOVVLLIWYBDH-UHFFFAOYSA-N 271.276 3.244 5 40 CGBB Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1 75194 ZEJWZGJVLLMJLE-CYBMUJFWSA-N 279.727 3.019 5 40 CGBB CC(C)(C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 3196688 CTDLNMPYTTYXQI-UHFFFAOYSA-N 279.321 3.189 5 40 CGBB CCc1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1 36379696 RSXIVHRRMXHXGD-UHFFFAOYSA-N 263.684 3.268 5 40 CGBB in-vitro CCOC(=O)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 2392594 IUXAUUIRPSPUIT-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC=CCC1 12758077 OSDGORVOHMSQGU-NSHDSACASA-N 260.293 3.198 5 40 CGBB O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 3847751 YCLXZVZSDGHTLG-CQSZACIVSA-N 269.256 3.049 5 40 CGBB biogenic CC(=O)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 504526 FNEDHCBUJOGJMW-UHFFFAOYSA-N 285.255 3.017 5 40 CGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC=CCC1 32772657 YCBNMGSERKZSJD-QWHCGFSZSA-N 288.347 3.471 5 40 CGBB Cc1sc2nc3c4ccccc4c(C)nn3c(=O)c2c1C 2889076 MZPDWRLQUCYIJU-UHFFFAOYSA-N 295.367 3.383 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccccn1 4739200 LKPPYHWLTYNAEC-UHFFFAOYSA-N 298.346 3.202 5 40 CGBB Cc1ccccc1Oc1nc2sccn2c1[N+](=O)[O-] 8308592 LFLVRWYJQLTRHE-UHFFFAOYSA-N 275.289 3.405 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@H]1[C@H]2C 504493735 UTSXCLQQDIBOGU-SHWZHROSSA-N 276.444 3.256 5 40 CGBB CCCCCC[C@@]1(C)OCO/C1=C\C[N+](C)(C)C 5792441 BEVNKHVHEJCPJB-BAAYTWLHSA-N 256.410 3.310 5 40 CGBB CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 58292598 NBBNQILJSWWYRV-UHFFFAOYSA-N 294.307 3.462 5 40 CGBB CCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12 98061854 BQUFHGCIBGQOQT-UHFFFAOYSA-N 252.657 3.195 5 40 CGBB Cc1cc(NC(=O)C(C)C)nc2c1c(=O)oc1ccccc12 428479 BXHKVZXFRYTZOO-UHFFFAOYSA-N 296.326 3.244 5 40 CGBB CC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 373399 IDRPRRKCCRJQMC-ZETCQYMHSA-N 256.689 3.233 5 40 CGBB COc1ccc(C[N+](C)(C)Cc2ccc(OC)cc2)cc1 1664090 GCIBCTHTLKTURR-UHFFFAOYSA-N 286.395 3.480 5 40 CGBB Cc1nn(CCOc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 12777300 REAWDBOEVQDOQM-UHFFFAOYSA-N 295.726 3.141 5 40 CGBB Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2F)s1 37991086 PRYUWXBCEYEBTA-UHFFFAOYSA-N 295.291 3.366 5 40 CGBB CCOc1ccccc1Nc1ncccc1[N+](=O)[O-] 7185945 QUQDXJMATRGCSV-UHFFFAOYSA-N 259.265 3.132 5 40 CGBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1O 35018438 IRZUMUMAHKJVNB-UHFFFAOYSA-N 288.303 3.311 5 40 CGBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cccc(F)c3)n2)cc1 40164175 QSPOZHMJDDTBTM-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 7538089 AQPPLYLPDOHBJU-UHFFFAOYSA-N 256.305 3.193 5 40 CGBB COc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 52472308 VCDMGXJQBVNSIS-NSHDSACASA-N 287.319 3.042 5 40 CGBB O=[N+]([O-])c1ccc2nc(NCc3ccccn3)sc2c1 26424200 OYJMRQOQACMWMJ-UHFFFAOYSA-N 286.316 3.212 5 40 CGBB Cc1cccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 26690666 OIPMIMBVWDPOED-UHFFFAOYSA-N 285.307 3.011 5 40 CGBB CC[C@@](C)(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 5469132 SMLAOXIFMXTNOK-GOSISDBHSA-N 292.443 3.384 5 40 CGBB Cc1ccccc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 15288525 GWRYGEGDVQXUQI-UHFFFAOYSA-N 299.330 3.262 5 40 CGBB O=[N+]([O-])c1ccccc1Cc1nc2ccccc2[nH]1 12420720 BQHUXKDDEMNQKH-UHFFFAOYSA-N 253.261 3.062 5 40 CGBB O=C(O)c1sc2c([N+](=O)[O-])ccc(F)c2c1Cl 228954970 UEIXHUFWFBQMDC-UHFFFAOYSA-N 275.644 3.300 5 40 CGBB COc1ccc(C(=O)c2c[nH]c3c([N+](=O)[O-])cccc23)cc1 199523686 NKXOPKQJAIPLHF-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c2sc(N)nc12 20154727 QZVOYDFTCHMWAX-MRVPVSSYSA-N 292.364 3.166 5 40 CGBB Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 3388265 FSKNXYLRSVBSKI-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB CCc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 5032640 VUCVKCYCJHUNTH-MDZDMXLPSA-N 286.287 3.402 5 40 CGBB C[C@@H](NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 82610047 CUAPCYOMTROGCX-SECBINFHSA-N 266.297 3.181 5 40 CGBB CCC[C@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 84740586 ZXGAJGQMXVHRTN-AAEUAGOBSA-N 263.341 3.395 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(F)F 95215435 LMTLHFXJPWHRTA-UHFFFAOYSA-N 257.114 3.215 5 40 CGBB CC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 265316 HDQZCTNCKSYJHA-UHFFFAOYSA-N 285.255 3.017 5 40 CGBB CCOc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] 2055042 PSTQFDNMDINJHU-UHFFFAOYSA-N 268.269 3.199 5 40 CGBB CCC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48275216 SWTSTGQFLIZNHX-UHFFFAOYSA-N 288.351 3.024 5 40 CGBB Cc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 226293240 BYLNYIQPHDAXCO-UHFFFAOYSA-N 255.273 3.443 5 40 CGBB Cc1c(NC(=O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] 12736175 FMTFFFVERQFZOU-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB CCc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 16640067 AIWPKRRGTHQFAX-UHFFFAOYSA-N 284.315 3.338 5 40 CGBB Nc1cc2oc(=O)c3ccccc3c2cc1Br 1574357 IICMAMFGYGNGDX-UHFFFAOYSA-N 290.116 3.291 5 40 CGBB CSc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] 5574400 ZOYXYSJDGCEQJD-UHFFFAOYSA-N 295.345 3.026 5 40 CGBB Cc1ccoc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 84251167 VYRPGBBXDUVXAF-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB COc1cccc(OCCNc2ccc([N+](=O)[O-])cc2)c1 45733444 LZZPZAABEBODKH-UHFFFAOYSA-N 288.303 3.094 5 40 CGBB COC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 44199779 KRMDWSAPDICGHC-UHFFFAOYSA-N 281.651 3.295 5 40 CGBB Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 7069822 IMEPSZJZZXPAHQ-FNORWQNLSA-N 272.260 3.148 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1F 32901914 MWZRFDYMOLQZIX-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccsc2)cc1 7912075 IQKWIWSTANYYPQ-SOFGYWHQSA-N 295.341 3.101 5 40 CGBB COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1 34311521 IUADXNRMOSCIKS-UHFFFAOYSA-N 271.272 3.143 5 40 CGBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/[N+](=O)[O-])o1 207058533 UQCSHWAWQCHPLG-VOTSOKGWSA-N 290.231 3.111 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@H]3C=CC[C@H]23)cc1 100096368 MZGICHGTRFQXQA-DERJNBNXSA-N 296.330 3.361 5 40 CGBB CC(=O)n1c2ccccc2c2nc3ccccc3nc21 132859 VOKVXGKRVFYGLA-UHFFFAOYSA-N 261.284 3.398 5 40 CGBB CC(=O)Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 1556477 RKUQIGNXRBKWNX-UHFFFAOYSA-N 270.288 3.144 5 40 CGBB Cc1cc([N+](=O)[O-])cc(Cl)c1I 2243827 GFCNHHXMRPACAL-UHFFFAOYSA-N 297.479 3.161 5 40 CGBB C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 15543940 UWYAGIDSAWLEED-SNVBAGLBSA-N 290.344 3.490 5 40 CGBB Nc1cc2c(cc1Br)[nH]c(=O)c1ccccc12 17021221 JUWATXLBBNLMDU-UHFFFAOYSA-N 289.132 3.026 5 40 CGBB Nc1cc2[nH]c(=O)c3ccccc3c2cc1Br 8649789 PSGYSVDCQVWQOO-UHFFFAOYSA-N 289.132 3.026 5 40 CGBB O=[N+]([O-])c1ccc(-c2sccc2[N+](=O)[O-])s1 5897091 YQEWARXCNHDHJD-UHFFFAOYSA-N 256.264 3.293 5 40 CGBB C[N+]1(CCC[N+]2(C)CCCCCC2)CCCCCC1 1646439 HZDZOXZKQCMORO-UHFFFAOYSA-N 268.489 3.418 5 40 CGBB C[N+](C)([O-])CC[C@@H](c1ccccc1)c1ccccn1 1648420 OBBDJQMNZLQVAZ-HNNXBMFYSA-N 256.349 3.178 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccc(CO)o2)c(Cl)c1 4290832 MHFCHWXUADYTLL-UHFFFAOYSA-N 253.641 3.001 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])c(OCC(C)C)cc1Cl 225726262 GSDQPMZXPYAMOV-UHFFFAOYSA-N 287.699 3.070 5 40 CGBB O=c1[nH]c2ccccc2c2cc(Br)ccc12 16951163 KFOQWPIZQXYXOH-UHFFFAOYSA-N 274.117 3.444 5 40 CGBB Nc1ccccc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 1595374 XRMHLBCVMYFAJW-UHFFFAOYSA-N 290.300 3.026 5 40 CGBB C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2CC[C@@H]1C2 101325832 RMHAGYCHBZKSPN-FMCLSXCISA-N 288.347 3.149 5 40 CGBB O=C(COc1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 3382114 IDBSLHMAEXLRPM-UHFFFAOYSA-N 296.282 3.338 5 40 CGBB Cc1cc(N2Cc3ccccc3[C@@H]2C)ncc1[N+](=O)[O-] 253427602 WNCIQKJYMLVYEZ-NSHDSACASA-N 269.304 3.379 5 40 CGBB O=c1[nH]c(-c2ccccc2)cc2c1c(=O)oc1ccccc12 3025155 VAXKJLXXSYPJCK-UHFFFAOYSA-N 289.290 3.302 5 40 CGBB O=C(/C=C/c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 588488 USXGFBMWBVXKIZ-GQCTYLIASA-N 292.678 3.493 5 40 CGBB O=[N+]([O-])c1ccc(NCc2nc3ccccc3s2)nc1 12755187 PNXFPJXRHZSNTF-UHFFFAOYSA-N 286.316 3.212 5 40 CGBB CCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 5465521 STPXOHDXTPPUSQ-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB Cc1ccc(/N=c2\ssnc2Cl)c([N+](=O)[O-])c1 4602268 DBKPREURWJCNFH-LUAWRHEFSA-N 287.753 3.307 5 40 CGBB CC(C)N(Cc1csc([N+](=O)[O-])c1)C1CCOCC1 75145377 IIOMABMUURZPGG-UHFFFAOYSA-N 284.381 3.046 5 40 CGBB COc1cccc(-c2cc3c(O)cc([N+](=O)[O-])cc3[nH]2)c1 66089371 NGHCTLFOUHXQQP-UHFFFAOYSA-N 284.271 3.457 5 40 CGBB N[C@@H](C(=O)O)c1c2ccccc2cc2ccccc12 199810943 IINMAOAZNKNHNK-OAHLLOKOSA-N 251.285 3.077 5 40 CGBB C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 8168175 AMSBEJLXLHLRPC-LBPRGKRZSA-N 284.315 3.128 5 40 CGBB O=C(Nc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])s1 24976192 JFCNCWRKKZJBQD-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)C 45888259 XXVXOEIUURNEES-UHFFFAOYSA-N 250.298 3.196 5 40 CGBB C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 58055207 ORKCWYGFHJUIFC-LBPRGKRZSA-N 256.305 3.446 5 40 CGBB C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 12552732 VRJKVMXFZZHYLE-ZDUSSCGKSA-N 298.342 3.357 5 40 CGBB CC(C)Cn1ccnc1CNc1ccc([N+](=O)[O-])cc1 95429650 JHWPXQORTHCVMM-UHFFFAOYSA-N 274.324 3.059 5 40 CGBB c1ccc(-c2cnc3nc4ccccc4nc3n2)cc1 1870433 ILVJSCIBHRYTMB-UHFFFAOYSA-N 258.284 3.240 5 40 CGBB CC(=O)c1ccc(Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 12546191 PXNOVEJWTYOFOO-UHFFFAOYSA-N 298.298 3.476 5 40 CGBB CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F 2064353 UOTSDYNDTWVYLZ-UHFFFAOYSA-N 254.261 3.253 5 40 CGBB C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cn1 13012932 PZSURUXFGSULAG-SECBINFHSA-N 263.322 3.249 5 40 CGBB O=[N+]([O-])c1c(F)cccc1NC[C@@H](O)c1ccc(F)cc1 72027386 OYVHLEOMRLODDG-CYBMUJFWSA-N 294.257 3.019 5 40 CGBB O=Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 73642021 IZFUZOWHIMQJAI-UHFFFAOYSA-N 268.228 3.216 5 40 CGBB Cc1cc([N+](=O)[O-])c(N)cc1N1[C@@H](C)CCC[C@@H]1C 216863440 QZAAWQXPQYXOLB-QWRGUYRKSA-N 263.341 3.253 5 40 CGBB CCC[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 198168 SXNLYKALCQBBGR-MFOWVQHXSA-N 264.414 3.197 5 40 CGBB O=c1oc2ccccc2cc1-c1cccc([N+](=O)[O-])c1 20533929 UDUGOMBRXHHIBF-UHFFFAOYSA-N 267.240 3.368 5 40 CGBB O=[N+]([O-])c1cccc(OCc2ccn(-c3ccccc3)n2)c1 60299094 CIERDALZTWTCPC-UHFFFAOYSA-N 295.298 3.360 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])Nc1cccnc1Cl 6860044 QSRBMRILIGKNAX-UHFFFAOYSA-N 292.682 3.287 5 40 CGBB O=c1oc2c(-c3cccc([N+](=O)[O-])c3)cc(O)cc2s1 534009 TYFJIFKXPUEWAJ-UHFFFAOYSA-N 289.268 3.135 5 40 CGBB Cc1cc([N+](=O)[O-])cc2cc(Br)cnc12 38273491 SIHOVNCABQDJFT-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 15778713 YOQDSAZMCALMGV-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB C[C@H](Cc1ccsc1)NCc1csc([N+](=O)[O-])c1 49157240 RADSMJJXYWCMMY-SECBINFHSA-N 282.390 3.439 5 40 CGBB O=C(c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 5264196 JVXBEKWPVLARKV-UHFFFAOYSA-N 293.282 3.012 5 40 CGBB CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccncc1 96012821 XOSHIGLOKJYIOE-CQSZACIVSA-N 271.320 3.231 5 40 CGBB Cc1cc(=O)cc(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 255190245 VVMIXCJNOPYZOU-UHFFFAOYSA-N 278.695 3.016 5 40 CGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 75386 AMZSUPNYNMANGW-GFCCVEGCSA-N 284.315 3.015 5 40 CGBB C[C@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OCC1(C)C 1679859 UXTXZUGUFFSYSY-SKDRFNHKSA-N 251.282 3.055 5 40 CGBB O=C(NCc1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 3557878 QVPACWADDWFYFM-UHFFFAOYSA-N 296.735 3.240 5 40 CGBB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1Cl 100404131 KXDOSJYWKWOEIS-JRKPZEMJSA-N 294.738 3.167 5 40 CGBB CCOc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1 24106950 QYQVMTMWCUQCNN-UHFFFAOYSA-N 287.319 3.025 5 40 CGBB CCc1cccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 71798363 YRDJOVSWVOESFF-UHFFFAOYSA-N 299.334 3.265 5 40 CGBB O=[N+]([O-])c1ccc(-c2noc(-c3cccc(F)c3)n2)cc1 7781121 CIEJAKNGJFXSLQ-UHFFFAOYSA-N 285.234 3.451 5 40 CGBB COc1cc2nc3ccccc3cc2cc1[N+](=O)[O-] 96191717 LVJOFYHVGZETKU-UHFFFAOYSA-N 254.245 3.305 5 40 CGBB OCc1c2c(cc3ccccc13)C[N+]1(CCCCC1)C2 327559 QBPIQGNWEHFPPC-UHFFFAOYSA-N 268.380 3.346 5 40 CGBB CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8267339 XUZGYBDPUOSAOC-UHFFFAOYSA-N 270.288 3.410 5 40 CGBB O=[N+]([O-])c1ccccc1NCCNc1nc2ccccc2o1 26082502 JMQCUIJNPXTNAF-UHFFFAOYSA-N 298.302 3.260 5 40 CGBB COc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 5618336 YDOGJORWLCFCFI-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 5775096 FQHFARDETBUNDD-UHFFFAOYSA-N 288.328 3.326 5 40 CGBB CC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 373397 IDRPRRKCCRJQMC-SSDOTTSWSA-N 256.689 3.233 5 40 CGBB CCCCCNc1cc(NC(C)=O)c([N+](=O)[O-])cc1F 32779066 UDVWQMYREAHFPP-UHFFFAOYSA-N 283.303 3.294 5 40 CGBB CCOc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 32735898 KGNLJIZXPCOXGK-UHFFFAOYSA-N 260.249 3.181 5 40 CGBB CC(C)c1noc(-c2cc([N+](=O)[O-])ccc2Cl)n1 22120212 ZWKXTUYZNJIATR-UHFFFAOYSA-N 267.672 3.422 5 40 CGBB O=[N+]([O-])c1ccc(OCc2ccccc2)c2cn[nH]c12 1404081 LWWCBTBFMUBQTB-UHFFFAOYSA-N 269.260 3.050 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1COCc1ccccc1 72209192 IQINZHBPOMWYNX-UHFFFAOYSA-N 287.271 3.010 5 40 CGBB CC(C)(C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40494816 ZRIGVGMBJIYTEK-UHFFFAOYSA-N 270.716 3.024 5 40 CGBB Cc1c(NC(=O)Cc2ccccc2)cccc1[N+](=O)[O-] 563091 COPOXAWZMUXKIY-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB COc1c(Br)cc(Cl)cc1/C=C/[N+](=O)[O-] 24863404 PXCWYFAWHAUTOT-NSCUHMNNSA-N 292.516 3.359 5 40 CGBB Cc1c(Cl)cc(Br)cc1[N+](=O)[O-] 14983129 KQMXGSGRIHBQGJ-UHFFFAOYSA-N 250.479 3.319 5 40 CGBB CC(C)Nc1cc(Br)ccc1[N+](=O)[O-] 39956327 FASQPXTZYZCTMG-UHFFFAOYSA-N 259.103 3.178 5 40 CGBB CCc1nc(COc2ccc([N+](=O)[O-])cc2)cs1 40049328 BGALQRGWZXCYFK-UHFFFAOYSA-N 264.306 3.193 5 40 CGBB Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 5173033 FJJMRDFEDMKXSB-UHFFFAOYSA-N 288.303 3.077 5 40 CGBB CC[C@H](Nc1nccc(C)n1)c1cccc([N+](=O)[O-])c1 90147038 KGVPHVVSAKNMHR-ZDUSSCGKSA-N 272.308 3.256 5 40 CGBB C[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 97162036 CZRLSCJLZVHXKK-LLVKDONJSA-N 271.320 3.472 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 29219293 NHNFUZCKCYJLCS-UHFFFAOYSA-N 278.308 3.126 5 40 CGBB C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 72209590 DQRPWGWHAQJBBT-VIFPVBQESA-N 254.717 3.485 5 40 CGBB O=C(CCNc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 564054 OFONVKMWTVRJOM-UHFFFAOYSA-N 288.278 3.419 5 40 CGBB Cc1cc(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3)c2[nH]1 8628485 WHDBKZIBZQRZGY-UHFFFAOYSA-N 280.283 3.412 5 40 CGBB COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 40169582 FNORGRZHKJVXSH-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB Cc1noc(C)c1COc1cccc([N+](=O)[O-])c1C 59012810 NCAUDELJYJKALQ-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 13590419 SLHVDARZXWSAPZ-AOOOYVTPSA-N 296.754 3.366 5 40 CGBB Cc1ccc(C(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 2622581 XZJMMDJQAXRVOE-LBPRGKRZSA-N 287.319 3.160 5 40 CGBB O=[N+]([O-])c1cccnc1Sc1nc2ccccc2[nH]1 1849710 QUKUDQKLVDCAAY-UHFFFAOYSA-N 272.289 3.017 5 40 CGBB Cc1cc(C)c(COc2cccnc2[N+](=O)[O-])c(C)c1 49151719 MAFUQHGMRZOYHZ-UHFFFAOYSA-N 272.304 3.494 5 40 CGBB O=C(CCc1cccs1)Nc1ccc([N+](=O)[O-])cc1 4540148 XILCIGBKWIGWFA-UHFFFAOYSA-N 276.317 3.228 5 40 CGBB O=[N+]([O-])c1cc(F)ccc1N1CCc2ccccc21 7185854 JYTBTLRNYTXDAY-UHFFFAOYSA-N 258.252 3.428 5 40 CGBB O=c1ccn(Cc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 84343616 VZTFOHSBVMYBPT-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCCC1 189290 PKKSUEDZEGWZIG-UHFFFAOYSA-N 290.344 3.436 5 40 CGBB O=[N+]([O-])c1ccc(SCc2cccc(F)c2)nc1 75321188 NCQZZSJAQUWOOV-UHFFFAOYSA-N 264.281 3.421 5 40 CGBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 5442873 IRICJGWSFQWTSX-MRXNPFEDSA-N 296.326 3.402 5 40 CGBB CCOC(=O)N=c1c2ccccc2[nH]c2ccccc12 4830956 WZCWORVFRBDQDX-UHFFFAOYSA-N 266.300 3.378 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1N[S@@](=O)c1ccccc1 4958249 DLSSHWMDTQVPKX-LJQANCHMSA-N 276.317 3.038 5 40 CGBB CC(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 12598706 NLFVFEKRUHFMGO-UHFFFAOYSA-N 273.292 3.299 5 40 CGBB CC[C@H](C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O 408803464 PERKNAPCBZENDD-NSHDSACASA-N 295.338 3.475 5 40 CGBB CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 5297436 OQOCFHNVANPOJF-UHFFFAOYSA-N 250.298 3.422 5 40 CGBB CC(=O)O[C@H]1[C@H]2CCC[C@H]1[C@@H]([N+]1(C)CCCCC1)CC2 245377410 KWKSYISARSAIJR-QAETUUGQSA-N 280.432 3.127 5 40 CGBB biogenic Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] 5536560 CYSPJMPZNCQSNP-VXGBXAGGSA-N 276.336 3.306 5 40 CGBB O=C1CC2(CCCCC2)c2sc([N+](=O)[O-])cc21 385875 XZMRWOYTKGNSGT-UHFFFAOYSA-N 251.307 3.445 5 40 CGBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2 4300911 BNCNPPGADFFASS-UHFFFAOYSA-N 273.204 3.352 5 40 CGBB CC[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 4806544 NKLPFSZKMVOBNM-OFQRWUPVSA-N 254.438 3.314 5 40 CGBB CC(=O)Nc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 408541034 AZBAPUGMECHLCZ-VMPITWQZSA-N 287.275 3.020 5 40 CGBB Cc1ccccc1C(=O)Oc1ccccc1[N+](=O)[O-] 358433 SNUMYQVJVGGWKM-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB O=[N+]([O-])c1c(Oc2cncc(Cl)c2)nc2ccccn12 77986077 ZCTBPACXECFOGI-UHFFFAOYSA-N 290.666 3.083 5 40 CGBB O=c1c(Oc2ccc([N+](=O)[O-])cc2)coc2cc(O)ccc12 5997094 UTXKAQHACDWHLS-UHFFFAOYSA-N 299.238 3.199 5 40 CGBB biogenic O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2cccs2)n1 64874539 MFFVVGXIHGIVEV-UHFFFAOYSA-N 272.289 3.108 5 40 CGBB CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C 4313668 YMKLAXSFMYVALZ-UHFFFAOYSA-N 250.298 3.278 5 40 CGBB CC(C)c1c(C2CC2)[nH]c2c([N+](=O)[O-])cccc2c1=O 685938262 NUYLXSRYDHQGLZ-UHFFFAOYSA-N 272.304 3.437 5 40 CGBB Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 106400 MUIFSDOQEPWLIN-CMDGGOBGSA-N 286.287 3.457 5 40 CGBB O=[N+]([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 43531941 WRWXJFXXJQWMBB-UHFFFAOYSA-N 285.181 3.196 5 40 CGBB Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1F 70160148 VHNZEJCAQQDFTF-UHFFFAOYSA-N 274.295 3.332 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1cnc2ccccc2c1 45028948 LYDYXEFKQLAQOT-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB Cn1c(=O)c2ccccc2c2cc(Br)ccc21 1717541 UWTQUCQCRLBQAR-UHFFFAOYSA-N 288.144 3.454 5 40 CGBB CC[N+](C)(CC)c1ccc(C)c(OC(=O)N(C)C)c1 1718626 NHHXGKVPLXQIFS-UHFFFAOYSA-N 265.377 3.032 5 40 CGBB CCC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2038099 PSOZMUMWCXLRKX-ZETCQYMHSA-N 254.242 3.112 5 40 CGBB O=[N+]([O-])/C=C/c1c(-c2ccccc2)nc2sccn12 1384853 GVCQIGCIQRNZOZ-VOTSOKGWSA-N 271.301 3.310 5 40 CGBB CCOc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] 4740877 YCVNWTOFLQQADR-UHFFFAOYSA-N 261.233 3.066 5 40 CGBB CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)O[C@H](C)C1 226315781 CCIOICIIFLCIHC-NXEZZACHSA-N 298.770 3.424 5 40 CGBB O=[N+]([O-])c1cccc(OCCN2CCc3ccccc3C2)c1 36396718 CXDWTUHSCXCYEL-UHFFFAOYSA-N 298.342 3.032 5 40 CGBB O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccccc1 33965 ULXCGRAUCRLSRG-HNNXBMFYSA-N 253.257 3.438 5 40 CGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC=CCC1 32772654 YCBNMGSERKZSJD-STQMWFEESA-N 288.347 3.471 5 40 CGBB CCCC[C@@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1 4506203 HSPKPPHNQJNEDV-MRVPVSSYSA-N 271.342 3.206 5 40 CGBB O=C(Oc1ccc2oc3ccccc3c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] 32932051 UTHVAILYIKSVLA-CHWSQXEVSA-N 297.266 3.157 5 40 CGBB O=[N+]([O-])c1ccccc1CNc1cc(CO)ccc1Cl 83138476 IVTHFCFJIXZPBM-UHFFFAOYSA-N 292.722 3.353 5 40 CGBB Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 226292739 HKEDCTASCKNXBB-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB CC(C)CCSc1ccc(C(=O)O)cc1[N+](=O)[O-] 2641066 LLEZGWLHZIUHMY-UHFFFAOYSA-N 269.322 3.431 5 40 CGBB O=[N+]([O-])c1cccc([S@](=O)NCCC2=CCCCC2)c1 7602784 RGDCYPQCVYMJBC-HXUWFJFHSA-N 294.376 3.098 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCSCC1 4362038 IMRCUFPZYKMQQC-UHFFFAOYSA-N 292.282 3.167 5 40 CGBB O=Cc1cn(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 216959776 JEKNCHJIZOJXLI-UHFFFAOYSA-N 294.266 3.051 5 40 CGBB Cc1ccc([N+](=O)[O-])c(OCc2nc(C(C)(C)C)no2)c1 30876446 RXAUBAJCQITNQP-UHFFFAOYSA-N 291.307 3.163 5 40 CGBB O=c1oc2ccccc2c(Nc2cccc(O)c2)c1[N+](=O)[O-] 8716744 DGPJUMPXTNZPQV-UHFFFAOYSA-N 298.254 3.150 5 40 CGBB O=[N+]([O-])c1cc(Br)ccc1OCC(F)F 122639585 DQAMFIHKUMIPHV-UHFFFAOYSA-N 282.040 3.001 5 40 CGBB Cc1ccccc1NCC(=O)c1cccc([N+](=O)[O-])c1 2684428 MIPGEYJKQMCXJY-UHFFFAOYSA-N 270.288 3.198 5 40 CGBB CC(C)n1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 252496855 PTAAAJNAGMWGBS-UHFFFAOYSA-N 266.684 3.144 5 40 CGBB CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 20298523 SWBPZUGVLXPNAL-QMMMGPOBSA-N 270.716 3.023 5 40 CGBB Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1 89475 WAXYLNFKWFMYDT-UHFFFAOYSA-N 253.261 3.242 5 40 CGBB O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 4921587 AHUKGYSUIVJQER-UHFFFAOYSA-N 277.663 3.467 5 40 CGBB O=[N+]([O-])c1cc(-c2noc(C3CC3)n2)ccc1Cl 22120237 RWYCZCNFKOUYLK-UHFFFAOYSA-N 265.656 3.176 5 40 CGBB O=[N+]([O-])c1c(Nc2ccccc2)nc2sccn12 8308398 ADMJYPPSZNZFTL-UHFFFAOYSA-N 260.278 3.048 5 40 CGBB CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc21 111676766 MVYSMJJCXZGDDZ-GXDHUFHOSA-N 280.283 3.112 5 40 CGBB CC(C)(C)c1cc2c(cc1[N+](=O)[O-])OC(=O)C2(C)C 91301855 PAPCLUJQMFCTDR-UHFFFAOYSA-N 263.293 3.089 5 40 CGBB C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 15745082 JOCBFACFBPRMRD-CYBMUJFWSA-N 298.342 3.057 5 40 CGBB CC(=O)Nc1ccc2c(c1)[nH]c(=O)c1cc(Cl)ccc12 8637627 TVYRCWHYMBTFNX-UHFFFAOYSA-N 286.718 3.293 5 40 CGBB CCc1nccn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 89757147 JPDABVZVXFBLBT-UHFFFAOYSA-N 298.302 3.057 5 40 CGBB COc1ccc([C@@H](O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 226292381 ARMQFJNAQMRTSW-INIZCTEOSA-N 287.315 3.302 5 40 CGBB O=[N+]([O-])c1cc(F)c(OC(F)(F)Cl)c(F)c1 95215756 WUEKXENAEFPSLS-UHFFFAOYSA-N 259.542 3.041 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc12 73641992 JFKKTPFQUKAWAA-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB O=[N+]([O-])c1c(F)cccc1OC(Cl)(Cl)Cl 95215630 PVJOJYAAQRLMGU-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1[N+](=O)[O-] 533368 SEMPNPGHWOOIHI-FNORWQNLSA-N 273.244 3.261 5 40 CGBB OCCCNc1nc2ccccc2c2ccccc12 31719270 GUJRWACKULQLGI-UHFFFAOYSA-N 252.317 3.182 5 40 CGBB COc1c(C(=O)OC(C)C)cc2ccccc2c1[N+](=O)[O-] 40545954 NARVNZMRIMQJFK-UHFFFAOYSA-N 289.287 3.322 5 40 CGBB COc1ccc(OC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 20836916 MPXKWVSPPASMDQ-UHFFFAOYSA-N 287.271 3.131 5 40 CGBB NC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1737530 JOOQASYYDNTOAW-UHFFFAOYSA-N 285.470 3.013 5 40 CGBB CCOCc1ccccc1CNc1ccc([N+](=O)[O-])cn1 37500194 FQZBRCIDRKROEE-UHFFFAOYSA-N 287.319 3.138 5 40 CGBB Cc1ccc(COc2cc([N+](=O)[O-])ccc2N)cc1 35324467 NSQJWYDTXZTQMW-UHFFFAOYSA-N 258.277 3.064 5 40 CGBB CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 72331453 OMFHVJCXYBLBBE-UHFFFAOYSA-N 284.315 3.087 5 40 CGBB C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 304748 SLHVDARZXWSAPZ-UWVGGRQHSA-N 296.754 3.366 5 40 CGBB O=C(Cc1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5575362 FPMCAMANKWNFPX-UHFFFAOYSA-N 296.735 3.491 5 40 CGBB Cc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)s1 97015670 PNNLJUREQVEMKC-GHXNOFRVSA-N 286.312 3.457 5 40 CGBB O=C(O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 5996116 UWEJMVXMOALHJB-UHFFFAOYSA-N 267.624 3.206 5 40 CGBB CCCC(=O)Nc1cc(N(C)C)c([N+](=O)[O-])cc1Cl 72229025 LOTLAXVSAPRLKW-UHFFFAOYSA-N 285.731 3.053 5 40 CGBB C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 7750955 WPWIIXYKRKTUGA-DJYGCBNOSA-N 286.287 3.078 5 40 CGBB CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 45886553 WDMFFLNBJMODSE-UHFFFAOYSA-N 299.714 3.393 5 40 CGBB C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 5515833 QRZNWWWQPFMBPZ-SECBINFHSA-N 282.727 3.120 5 40 CGBB O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12)c1ccc([N+](=O)[O-])cc1 4934301 PICSIGUMFUARDG-YMILTQATSA-N 299.326 3.352 5 40 CGBB O=[N+]([O-])c1cccnc1NC12CC3CC(CC(C3)C1)C2 23330327 JLYLYRGEEXJZHJ-UHFFFAOYSA-N 273.336 3.371 5 40 CGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1 24316698 GKGAOBJNEONCFJ-GFCCVEGCSA-N 294.332 3.376 5 40 CGBB CCCc1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1 22120149 BBAZTMSNNGJTHI-UHFFFAOYSA-N 267.672 3.251 5 40 CGBB CCN(CC)c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 45886568 AICKHMREUGIAAN-UHFFFAOYSA-N 273.676 3.003 5 40 CGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 75382 AMZSUPNYNMANGW-LBPRGKRZSA-N 284.315 3.015 5 40 CGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 44018814 RQAKQKFPWMUVKB-NSHDSACASA-N 270.288 3.337 5 40 CGBB O=C(O)/C=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 11952996 ZUDRZKWAUVPDHR-YHYXMXQVSA-N 299.282 3.272 5 40 CGBB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1cccc([N+](=O)[O-])c1 100449820 JJUCIUPTTHLMTM-PHIMTYICSA-N 291.303 3.059 5 40 CGBB Cc1c(C(=O)Nc2c(F)cccc2F)cccc1[N+](=O)[O-] 8330914 CYJMQHCKOIIHHQ-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB C[N+]1(C)[C@H]2CCC[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 100745362 YTYIVMLMRFPEDG-MUJYYYPQSA-N 274.384 3.003 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccco1 72228657 BYHVFQAQJLFHAM-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB CC[N+](CC)(CC)C(C(F)(F)F)C(F)(F)F 98210540 YKEXSMWWMWNRHJ-UHFFFAOYSA-N 252.222 3.356 5 40 CGBB Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc2c1=O 685938510 WGQWXRWPXLMYNT-UHFFFAOYSA-N 280.283 3.412 5 40 CGBB CC(C)(C)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Cl 157692 BCPWXKPVYHIBTH-QPJJXVBHSA-N 282.727 3.176 5 40 CGBB CC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 5677514 DAUCPOKRDYTOMP-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB COC(=O)c1sccc1-c1ccc(/C=C/[N+](=O)[O-])o1 109614 JIAGGNSLDSCFSX-GQCTYLIASA-N 279.273 3.042 5 40 CGBB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc([N+](=O)[O-])o1 58304516 AJSIPWXPVGYAON-POHAHGRESA-N 290.662 3.334 5 40 CGBB CC(C)NC(=S)Nc1cc2ccncc2c2ncccc12 408975851 OGCKBXRYLUONFX-UHFFFAOYSA-N 296.399 3.478 5 40 CGBB CCc1ccc([N+](=O)[O-])c2cccc(C(=O)OC)c12 5553388 PJSPVJYEGDGERP-UHFFFAOYSA-N 259.261 3.097 5 40 CGBB COc1cc2c(cc1O)C[N+](C)(Cc1ccccc1)CC2 1719338 OWVYOEQQPFZNMY-UHFFFAOYSA-O 284.379 3.104 5 40 CGBB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 4310056 DKYTXMDJYMJAGI-SBMIAAHKSA-N 294.738 3.167 5 40 CGBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 57797375 KHGYDWAWDOLHTD-UHFFFAOYSA-N 253.261 3.447 5 40 CGBB CC(=O)c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1 12629918 SCSBLIFSUNCWJE-UHFFFAOYSA-N 297.270 3.237 5 40 CGBB CC(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1 22120156 XXJCXBRKPZJVCB-UHFFFAOYSA-N 267.672 3.422 5 40 CGBB CC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5173359 FVXMONKBAOUQQE-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccco1 239469 CFGJVNORMJDLID-LBPRGKRZSA-N 270.288 3.478 5 40 CGBB CCCCOc1c(C(=O)OC)cc(Cl)cc1[N+](=O)[O-] 1669860 WJECXPZQHNABIS-UHFFFAOYSA-N 287.699 3.214 5 40 CGBB CC(=O)c1cccc(Oc2nc3ccccn3c2[N+](=O)[O-])c1 32806246 XNUSBEAOWNTXTP-UHFFFAOYSA-N 297.270 3.237 5 40 CGBB O=C(O)c1ccc2oc3c(Cl)cccc3c(=O)c2c1 4369423 GBIJPYRPXYHNSM-UHFFFAOYSA-N 274.659 3.298 5 40 CGBB Nc1ccccc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 4859528 FWHRQRLEMZBNQG-UHFFFAOYSA-N 297.270 3.027 5 40 CGBB O=[N+]([O-])c1c(NCc2ccc(F)cc2)nc2sccn12 6590198 KNONGEKLIKMAPC-UHFFFAOYSA-N 292.295 3.055 5 40 CGBB CC[C@@H]1CCCCN1c1ccc(C(=O)O)cc1[N+](=O)[O-] 37022156 VLHDREVUITYQLN-LLVKDONJSA-N 278.308 3.062 5 40 CGBB COc1ccc([C@@H](C[N+](C)(C)[O-])C2(O)CCCCC2)cc1 43201725 LASJEFFANGIOGZ-MRXNPFEDSA-N 293.407 3.048 5 40 CGBB O=C(O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2 5594083 BWGVLBFEXFBNOO-UHFFFAOYSA-N 293.322 3.258 5 40 CGBB O=[N+]([O-])c1cccc(COc2ncnc3sccc23)c1 3443735 BKIPLALWWJRVIR-UHFFFAOYSA-N 287.300 3.179 5 40 CGBB COC(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1 22012340 WYWGSFWBZBEVOD-UHFFFAOYSA-N 263.293 3.429 5 40 CGBB O=C(/C=C/c1ccsc1)OCc1cccc([N+](=O)[O-])c1 22058863 AOQAEXOCITXPKX-SNAWJCMRSA-N 289.312 3.413 5 40 CGBB C[C@@H]1CCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 1621350 RKVYPWDJWZOCNS-LRYGQEGESA-N 268.489 3.130 5 40 CGBB Nc1ccc(Sc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 59369282 KFOUNTWWYUZEEW-UHFFFAOYSA-N 291.288 3.236 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(OC(F)(F)Cl)c1 95215633 AWIDOJQZODQVIJ-UHFFFAOYSA-N 258.007 3.416 5 40 CGBB Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 40169837 FCARKCKFOBGCNN-UHFFFAOYSA-N 253.261 3.447 5 40 CGBB CN=[S@](=O)(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 100704725 ZNNXLCYPPCJEQL-HXUWFJFHSA-N 292.316 3.046 5 40 CGBB Cc1ccc([N+](=O)[O-])c(OCc2nc(C)c(C)o2)c1 40556317 HXAQIDWBHUQBRF-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB CC(C)c1nnc(SCc2cccc([N+](=O)[O-])c2)o1 20034551 YCANEBXLEODCPI-UHFFFAOYSA-N 279.321 3.394 5 40 CGBB O=[N+]([O-])c1ccc(-n2ccc(-c3ccccc3)n2)cc1 39348865 GNJJUNIPGWBDIN-UHFFFAOYSA-N 265.272 3.448 5 40 CGBB Cc1nn(C)c(N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] 47330974 AJERJPYCVPGHFZ-ZDUSSCGKSA-N 286.335 3.126 5 40 CGBB COc1ccc([N+](=O)[O-])cc1OCc1cccnc1Cl 52723575 FCPAMLFRJOBROQ-UHFFFAOYSA-N 294.694 3.231 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCO3)s1 48999432 ZPBLOWPWJYFWLU-UHFFFAOYSA-N 292.316 3.040 5 40 CGBB O=[N+]([O-])c1cc(Br)cc(C(F)F)c1 117782989 DMXVRUGSSAPNCE-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB O=C1O[C@H](Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 40476882 PYLWRNZTWLIIPB-ZDUSSCGKSA-N 288.234 3.015 5 40 CGBB CC(C)CSc1ccc(C(=O)O)cc1[N+](=O)[O-] 2651904 VZGWOMYIXCYGIJ-UHFFFAOYSA-N 255.295 3.041 5 40 CGBB CCC(=O)c1cc([N+](=O)[O-])c(Br)s1 1672880 JDEVKENZHCONKI-UHFFFAOYSA-N 264.100 3.012 5 40 CGBB CCCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC 22512591 NBNKKZSTIWCYTM-NSHDSACASA-N 294.351 3.302 5 40 CGBB Cn1ccnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 408737644 FPBYGAMVUSJLJC-UHFFFAOYSA-N 292.345 3.089 5 40 CGBB O=[N+]([O-])c1cc2cn[nH]c2cc1OCc1ccccc1 309824515 DLKGBRHPNDFXPP-UHFFFAOYSA-N 269.260 3.050 5 40 CGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@@H]1C=CCC1 32748288 YDVYKFHJGZWLOR-CHWSQXEVSA-N 288.347 3.471 5 40 CGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1ccsc1 46911856 RLEAESJCMLRZKA-JTQLQIEISA-N 292.316 3.227 5 40 CGBB O=[N+]([O-])c1ccc(Cn2cnc(Cl)c2Cl)cc1 19702721 GKJVTJMWOGPCCW-UHFFFAOYSA-N 272.091 3.146 5 40 CGBB CC(C)CNc1nc2ccc([N+](=O)[O-])cc2s1 59461258 DMEVIGOAQRRRLB-UHFFFAOYSA-N 251.311 3.272 5 40 CGBB Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 2656525 RMBXBQBADFFBRA-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB CCC[C@@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 6324826 VELRLYZWLHYFGW-LLVKDONJSA-N 296.392 3.133 5 40 CGBB O=C1Nc2ccccc2/C1=C/c1ccccc1[N+](=O)[O-] 3156198 BYWCHUVPMKUJLN-XFXZXTDPSA-N 266.256 3.088 5 40 CGBB Cc1ccc(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 55797318 UWRKITYYYFBAIE-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] 13010573 UAQNBWDWDAFHPT-ZDUSSCGKSA-N 298.342 3.357 5 40 CGBB COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1C 78394172 BGHVHNJNKILBQX-UHFFFAOYSA-N 286.331 3.202 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 798496 MBDHVUVNRVZIMM-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1N=NC[C@@H]1c1ccccc1 6864521 BDEHDTHOWLSMEX-CABCVRRESA-N 295.298 3.396 5 40 CGBB CC1CCN(c2ccc([N+](=O)[O-])c3sc(N)nc23)CC1 20154730 HFWQKPQHIHWGHS-UHFFFAOYSA-N 292.364 3.023 5 40 CGBB O=[N+]([O-])c1cccnc1N(Cc1cccc(O)c1)CC1CC1 84374504 QQHZCXZWWBJQOH-UHFFFAOYSA-N 299.330 3.112 5 40 CGBB C[C@@H]1C[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] 20064303 RUXYGSMSWHYDEH-MUWHJKNJSA-N 256.099 3.481 5 40 CGBB [O-][n+]1c2ccc(Cl)cc2nc2ccc(Cl)cc21 5328629 OUVQLYZORBTJAI-UHFFFAOYSA-N 265.099 3.328 5 40 CGBB Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 505461 ZNYXTPMRRTUXDC-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 8649755 FZYBNQCDUUMFMA-SECBINFHSA-N 251.282 3.186 5 40 CGBB Cc1cc(NC(=O)c2cc(C)n(C)c2C)ccc1[N+](=O)[O-] 298094327 IOEFUQSTZATDQL-UHFFFAOYSA-N 287.319 3.111 5 40 CGBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccco1)C1CC1 40497017 NGXGFSRVHBIKAB-UHFFFAOYSA-N 292.316 3.054 5 40 CGBB CCC(C)(CC)OC(=O)c1ccc([N+](=O)[O-])cc1 1703923 RZZXZWUGQDHMDM-UHFFFAOYSA-N 251.282 3.330 5 40 CGBB Cc1ccc(-c2c(C)nnn2-c2ccc([N+](=O)[O-])cc2)cc1 217578832 HZMWHUDBAKXKLY-UHFFFAOYSA-N 294.314 3.459 5 40 CGBB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1[N+](=O)[O-] 100449803 YRQGIMYHPKDGPX-PHIMTYICSA-N 291.303 3.059 5 40 CGBB CCCCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12 3895938 FFINZIBGHYIICK-UHFFFAOYSA-N 276.292 3.303 5 40 CGBB C[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3913736 JZOBUCVZJDQOFJ-KOLCDFICSA-N 278.308 3.284 5 40 CGBB CC[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 42095254 SXYURFQIZDXDHN-LBPRGKRZSA-N 288.351 3.024 5 40 CGBB Cc1cc(Oc2ccc(-n3cccn3)cc2)ncc1[N+](=O)[O-] 80605702 JJVBAJXJUOBPJJ-UHFFFAOYSA-N 296.286 3.276 5 40 CGBB COCCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 7889381 MXPMFQFOWPVLTP-UHFFFAOYSA-N 293.348 3.085 5 40 CGBB C[C@H]1CCCCN1c1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-] 70462572 OLLDYRWMCYKJGT-QMMMGPOBSA-N 298.726 3.325 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc(F)cc12 199720832 YIBFJGMHBOOWHL-UHFFFAOYSA-N 284.246 3.446 5 40 CGBB O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 12859154 OHSZLAWNPSPUCH-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB C[N+]1(C)CCC[C@@H](C(O)(c2ccccc2)c2ccccc2)C1 1250192 VPANIVFJGZPDNU-LJQANCHMSA-N 296.434 3.409 5 40 CGBB Cc1nc2ccccc2nc1COc1cccc([N+](=O)[O-])c1 8300235 WUWOGWPTRIFRDM-UHFFFAOYSA-N 295.298 3.425 5 40 CGBB O=[N+]([O-])c1ncccc1OCc1cc(-c2ccccc2)no1 12643941 NRUKYYVNIKXVAK-UHFFFAOYSA-N 297.270 3.224 5 40 CGBB Cc1c(C(=O)N(C)Cc2cccs2)cccc1[N+](=O)[O-] 12612453 BBYTUZODGJAENW-UHFFFAOYSA-N 290.344 3.237 5 40 CGBB O=C1c2ccc([N+](=O)[O-])cc2N[C@H]2CCCCC[C@@H]12 226759935 PWENJZSMQGTTKI-PWSUYJOCSA-N 260.293 3.152 5 40 CGBB O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)F)cc1 72265897 UOOGKSSUBKFORQ-UHFFFAOYSA-N 271.141 3.171 5 40 CGBB COc1ccc2c(c1)-c1cccc([N+](=O)[O-])c1C[C@@H]2C#N 133202 CWZBIBRGPLYCLL-SNVBAGLBSA-N 280.283 3.434 5 40 CGBB O=C(CN1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 1595192 KLRCJHRJALWQRV-UHFFFAOYSA-N 296.326 3.230 5 40 CGBB Cc1cnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 6479671 PQSDYVBFKDVTJK-VOTSOKGWSA-N 289.316 3.012 5 40 CGBB O=C1CCc2ccc(NCc3ccccc3[N+](=O)[O-])cc2N1 84505921 VTQDIADVIJXGHO-UHFFFAOYSA-N 297.314 3.092 5 40 CGBB CCCCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5645585 JVMHLHRJCMFMGD-UHFFFAOYSA-N 256.689 3.377 5 40 CGBB Cc1c(NC(=O)CCC(C)C)cccc1[N+](=O)[O-] 6790507 HCPKJJQRVIFDQV-UHFFFAOYSA-N 250.298 3.278 5 40 CGBB O=[N+]([O-])c1cnn(COc2ccc(Cl)cc2Cl)c1 72334162 ORQWGXODULHAFF-UHFFFAOYSA-N 288.090 3.135 5 40 CGBB CCOCc1ccccc1CNc1ncccc1[N+](=O)[O-] 37500196 RWGXNTKTZVNXGF-UHFFFAOYSA-N 287.319 3.138 5 40 CGBB O=C(NCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 223433871 ABPBNBXPGJISDI-UHFFFAOYSA-N 294.738 3.478 5 40 CGBB O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)nc1[N+](=O)[O-] 8615887 HEKFXRGJKVCEPL-UHFFFAOYSA-N 293.282 3.012 5 40 CGBB O=[N+]([O-])c1ccccc1Oc1ncnc2ccsc12 9256879 GRFRLHIEALBOIJ-UHFFFAOYSA-N 273.273 3.392 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1F 8267168 FCWWSGBEMVLXSY-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB Cc1ccc(NC(=O)C2CCCCC2)cc1[N+](=O)[O-] 6815375 VNXMGDDOENRXHU-UHFFFAOYSA-N 262.309 3.422 5 40 CGBB O=[N+]([O-])c1cc(Cc2ccc(F)cc2)cnc1Cl 169743835 BAMSZBVJUJJRQB-UHFFFAOYSA-N 266.659 3.373 5 40 CGBB C[C@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 13603406 QCWPCSVUNDHRPB-AOOOYVTPSA-N 296.754 3.366 5 40 CGBB O=C(Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 3561407 ZNFQPXBYISOHPP-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccco1 511279 YTUROABLHWJHEA-VOTSOKGWSA-N 272.260 3.148 5 40 CGBB O=C(O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 39964915 KCWWKJNNOFKGFG-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB O=[N+]([O-])c1cccc2c1CN(Cc1ccccc1)C2 34368315 FBIQGFYGALSPNL-UHFFFAOYSA-N 254.289 3.111 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 35414851 VTASYXKZODCZAF-UHFFFAOYSA-N 291.234 3.011 5 40 CGBB Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1N 216925329 FPNGEFSSYMTWDI-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB O[C@@H]1C=Cc2c(ccc3c2ccc2ccccc23)[C@H]1O 5935223 BIMJIRFFDLQHJJ-QZTJIDSGSA-N 262.308 3.414 5 40 CGBB Cc1cc(COc2c(C)ccc([N+](=O)[O-])c2C)on1 29751087 TYBNIRZOOJOLKY-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB Cc1cc(C(=O)NC2CCCCCC2)ccc1[N+](=O)[O-] 2744482 HWWJRCFCHYCBBL-UHFFFAOYSA-N 276.336 3.356 5 40 CGBB Cc1occc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 7781169 IJRPKACGALVVPX-UHFFFAOYSA-N 271.232 3.213 5 40 CGBB CC[C@@H](C)n1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1 1548918961 XKHUTOMEDFTWDC-MRVPVSSYSA-N 284.316 3.109 5 40 CGBB CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])C(=O)C1 102130777 FCPIHHJCOPRTQR-UHFFFAOYSA-N 293.344 3.014 5 40 CGBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 310280 BQOVYUBDXVNVOH-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB O=[N+]([O-])c1cccc2c[n+](Cc3ccccc3)ccc12 1566248 VAZPDZMZUJEZME-UHFFFAOYSA-N 265.292 3.084 5 40 CGBB Cc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2736506 JOGVHNVKPLVVCK-MDZDMXLPSA-N 296.326 3.233 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 22590049 FYNWSWHLEULWGV-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=C(OCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 72645068 WJWMZFHSRDAVAO-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1 512438 COEXUUZFFPXKAO-UHFFFAOYSA-N 262.309 3.422 5 40 CGBB CC(=O)Nc1ccccc1-c1cccc([N+](=O)[O-])c1 100724773 LEKLMGTZPSFOGM-UHFFFAOYSA-N 256.261 3.220 5 40 CGBB Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 52841864 OKFFNHCCCNRROG-UHFFFAOYSA-N 252.320 3.390 5 40 CGBB in-vitro O=[N+]([O-])c1ccc(Nc2nc3ccccc3[nH]2)cc1 3850810 AZALJXVEIVZCFX-UHFFFAOYSA-N 254.249 3.215 5 40 CGBB C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2CC[C@@H]1C2 101325835 RMHAGYCHBZKSPN-HKUMRIAESA-N 288.347 3.149 5 40 CGBB Cc1c(NC(=O)N[C@H](C(F)F)C2CC2)cccc1[N+](=O)[O-] 585140764 KMLUKHQTJBUNFH-NSHDSACASA-N 299.277 3.068 5 40 CGBB Cc1ncc([N+](=O)[O-])n1C(=O)Nc1cccc2ccccc12 16363355 WVHBJWFKDKXDBA-UHFFFAOYSA-N 296.286 3.333 5 40 CGBB Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)c1 6329 ALSLPTLXOJEJKL-UHFFFAOYSA-N 282.255 3.072 5 40 CGBB O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(O)c2)c1 17022198 QVEZFARGEHVQDR-UHFFFAOYSA-N 289.316 3.109 5 40 CGBB O=[N+]([O-])C[C@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-] 1577824 XTAICHDILDNLBZ-CABCVRRESA-N 286.287 3.065 5 40 CGBB Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1CCCC1)C(C)(C)O2 4105245 NARJZUVUBYEUKW-CQSZACIVSA-N 276.336 3.211 5 40 CGBB Cc1noc(C)c1[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 95434247 SAKFOHQOERFJRA-JTQLQIEISA-N 289.335 3.093 5 40 CGBB O=[N+]([O-])c1cnn(CCCCOc2ccccc2Cl)c1 67799355 VDSRGXSMBPOILW-UHFFFAOYSA-N 295.726 3.304 5 40 CGBB CC(=O)OCCC/C(=C/c1c[nH]c2ccccc12)[N+](=O)[O-] 1704100 KKHQNMJEDHUHCX-LCYFTJDESA-N 288.303 3.129 5 40 CGBB CN(C)C(=S)Nc1cc2cccnc2c2ncccc12 1104207 FYXNTFPNVCGVRR-UHFFFAOYSA-N 282.372 3.041 5 40 CGBB COc1c([N+](=O)[O-])cc(-c2ccccc2)cc1[N+](=O)[O-] 1724780 HEBDJHROQOSHDF-UHFFFAOYSA-N 274.232 3.179 5 40 CGBB Cc1c(NC(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] 8269927 RHIWFMUDFKDNHK-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB CC(=O)[C@@H](C)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 8489504 JIGXNVLFNIAKBD-SNVBAGLBSA-N 298.294 3.008 5 40 CGBB biogenic Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1C(=O)O 72209194 CFYYTNYQRMXZSR-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)C 45888230 CISWXBMTPBRIRC-UHFFFAOYSA-N 250.298 3.060 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)NC1CCCCC1 12403337 YOWPHRNWQQITRR-UHFFFAOYSA-N 281.287 3.188 5 40 CGBB Cc1cccc(C)c1OC(=O)c1ccccc1[N+](=O)[O-] 505110 PUPABBTUHVUAGS-UHFFFAOYSA-N 271.272 3.431 5 40 CGBB COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2)cc1F 24585447 CDUHQCGLLYLVOW-UHFFFAOYSA-N 290.294 3.379 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 8754411 SMRCVOHHIZIIEY-UHFFFAOYSA-N 258.233 3.206 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1 19845074 MRYFHGOQUIAUTE-UHFFFAOYSA-N 290.250 3.044 5 40 CGBB Cc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 8685277 QPLTUQUVCORCAE-UHFFFAOYSA-N 291.288 3.358 5 40 CGBB Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccco2)c1C 6029485 NVASKJROOZQAAW-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB Cc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 6524561 GCDFYFABQCBFHS-LBPRGKRZSA-N 284.315 3.394 5 40 CGBB O=[N+]([O-])/C(=C/c1ccc2c(c1)OCCO2)c1ccccc1 4832891 CBJXXKLHZQQYGV-GXDHUFHOSA-N 283.283 3.233 5 40 CGBB CCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 72331447 DXVQYSKEHAMQFX-UHFFFAOYSA-N 284.315 3.087 5 40 CGBB CCOc1cccc(/C=C/c2onc(C)c2[N+](=O)[O-])c1 408542167 HRYMQPPHJPRHKC-BQYQJAHWSA-N 274.276 3.460 5 40 CGBB O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O 1848291 UOHLBUBEMXVTMQ-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB O=[N+]([O-])c1cccnc1Nc1ccc(Br)cc1 59284892 OVWIQCXJXQFDTK-UHFFFAOYSA-N 294.108 3.496 5 40 CGBB CN(C(=O)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 8772641 RVWXJKVBCLPHTM-UHFFFAOYSA-N 292.241 3.150 5 40 CGBB Cc1nn(C(F)(F)C(F)(Cl)Cl)c(C)c1[N+](=O)[O-] 8755368 SSWKMVNAEOCHOW-UHFFFAOYSA-N 292.044 3.058 5 40 CGBB CCC(CC)N(C)c1ncc([N+](=O)[O-])cc1Cl 72310939 HXBJJHULKMQPBG-UHFFFAOYSA-N 257.721 3.268 5 40 CGBB C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 9219373 XPVWEUHZNFZKMT-NSHDSACASA-N 285.303 3.478 5 40 CGBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCC1 41690138 JQBVARXKZLIYPH-BSDSXHPESA-N 298.491 3.065 5 40 CGBB C[N@@+]1([O-])CCO[C@H](c2ccccc2)c2ccccc2C1 255961775 ADOSMCNCNFMWSW-QZTJIDSGSA-N 269.344 3.251 5 40 CGBB O=c1c2cnc3c(Cl)cccc3c2nc2sccn12 142035 MSRFGYVNJKXUNO-UHFFFAOYSA-N 287.731 3.111 5 40 CGBB Cc1cccc(CNC(=S)c2cccc([N+](=O)[O-])c2)c1 408571387 ANCTWNPWWNBVNG-UHFFFAOYSA-N 286.356 3.369 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2ccco2)nc1 95397844 CTBOYEMYXJZDKZ-GFCCVEGCSA-N 273.292 3.314 5 40 CGBB CCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 32719901 SNWCGTDXVYPSNH-UHFFFAOYSA-N 270.716 3.120 5 40 CGBB CC(C)(C)/C(O)=C/c1nc2cc([N+](=O)[O-])ccc2nc1O 101720002 SVEHRYHQFKJSIY-GHXNOFRVSA-N 289.291 3.189 5 40 CGBB O=C(Nc1cccc(O)c1)Nc1cc([N+](=O)[O-])ccc1F 1751416 DTOOIZVEWZBPMM-UHFFFAOYSA-N 291.238 3.084 5 40 CGBB NCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 4744655 ZIQISVKXFRIQOK-UHFFFAOYSA-N 296.761 3.350 5 40 CGBB CC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4079355 PRUOACHZKGXVIJ-UHFFFAOYSA-N 299.286 3.441 5 40 CGBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[C@H]2CC[C@H]1C2 104263282 ZOBBQGZZHLXAHB-MPPDQPJWSA-N 261.325 3.226 5 40 CGBB CSc1ccc([C@@H](C[N+](=O)[O-])n2nc(C)cc2C)cc1 6611432 GNZLJKNVYGVCTE-CQSZACIVSA-N 291.376 3.088 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5CC=C[C@H]45)[C@H]32)cc1 247324312 MZGICHGTRFQXQA-VNAATALASA-N 296.330 3.361 5 40 CGBB CN(Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 36394289 NVMRGQAOMRHJPH-UHFFFAOYSA-N 260.268 3.370 5 40 CGBB COc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 54962332 AQXBISNAILQFMY-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB CCCc1noc(-c2cc([N+](=O)[O-])ccc2Cl)n1 22120204 PVTQNYMSKSVWES-UHFFFAOYSA-N 267.672 3.251 5 40 CGBB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 11201902 LLSIFSIYVKLMPR-INIZCTEOSA-N 296.326 3.476 5 40 CGBB O=C(O)c1ccc([N+](=O)[O-])cc1Oc1ccccc1F 70231983 QNOHISBMHBODHI-UHFFFAOYSA-N 277.207 3.224 5 40 CGBB CCC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 7185969 JVZJRMRSEHRDFY-UHFFFAOYSA-N 272.260 3.375 5 40 CGBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1 37866368 AKWKXFMCOJEAHL-UHFFFAOYSA-N 291.288 3.358 5 40 CGBB O=[N+]([O-])c1cc(Cl)cc(F)c1Br 307670654 QWXZWSZCKBJJID-UHFFFAOYSA-N 254.442 3.150 5 40 CGBB COc1ccc([C@H]2CC(=O)c3cc([N+](=O)[O-])ccc3O2)cc1 32815416 JARCUJRYABOTHZ-MRXNPFEDSA-N 299.282 3.310 5 40 CGBB Cc1ccccc1COc1ccc([N+](=O)[O-])cc1C=O 2671207 NPYLLGIPUVBFFI-UHFFFAOYSA-N 271.272 3.295 5 40 CGBB COc1ccccc1CCNc1ccccc1[N+](=O)[O-] 25285079 CTBOACSEPILRCI-UHFFFAOYSA-N 272.304 3.258 5 40 CGBB COc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 21507911 JNYNPGSPYVEXHA-UHFFFAOYSA-N 250.298 3.348 5 40 CGBB Nc1c(-c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1 2508429 CCZMCCQJAWHSOU-UHFFFAOYSA-N 280.287 3.030 5 40 CGBB O=C(Nc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1Cl 4219026 CGKVYRMRNZJQNG-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5CC=C[C@@H]45)[C@H]32)cc1 229992148 MZGICHGTRFQXQA-OWDFPOFWSA-N 296.330 3.361 5 40 CGBB O=[N+]([O-])c1ccc(OCC(F)F)c(C(F)(F)F)c1 98095619 ZSKDNQUXLXNOCD-UHFFFAOYSA-N 271.141 3.258 5 40 CGBB C[N+](C)(C)c1ccc(C(=O)c2ccc([N+](C)(C)C)cc2)cc1 1556492 HYUPYEIDYYRWPS-UHFFFAOYSA-N 298.430 3.311 5 40 CGBB O=[N+]([O-])c1cc2c(cc1SCc1ccco1)OCCO2 12595016 BJEOAXVOMSDNDN-UHFFFAOYSA-N 293.300 3.251 5 40 CGBB C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@@H]1C2 101325826 RMHAGYCHBZKSPN-SFTQSGBHSA-N 288.347 3.149 5 40 CGBB Cc1n[nH]c(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 4017230 TVFLFGHEMAPIGV-UHFFFAOYSA-N 252.661 3.023 5 40 CGBB CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 96501350 ZQLAHSWKSXVZBJ-UHFFFAOYSA-N 293.323 3.010 5 40 CGBB CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5383566 QCQXNHCILNBPID-UHFFFAOYSA-N 256.689 3.233 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 5395324 IGPLMOLAAUIWII-UHFFFAOYSA-N 277.261 3.049 5 40 CGBB Cc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)no1 1752986 RUCMZPFRXUXZLZ-UHFFFAOYSA-N 296.670 3.189 5 40 CGBB O=[N+]([O-])c1cnn(COc2c(Cl)cccc2Cl)c1 2537603 OOHKOTJYNNUCDV-UHFFFAOYSA-N 288.090 3.135 5 40 CGBB COc1ccc(NC(=O)C2CCCCC2)c([N+](=O)[O-])c1 4610877 BBRYWZCRZAHLHC-UHFFFAOYSA-N 278.308 3.122 5 40 CGBB O=Cc1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 408972340 AUHXQJXIVQGOPO-UHFFFAOYSA-N 251.625 3.321 5 40 CGBB C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 108335871 MXIPPRVEUBMSCQ-FIQHERPVSA-N 261.325 3.226 5 40 CGBB O=C(NCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 3562421 PNKZMCISXQKMBG-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB O=[N+]([O-])c1cc(Br)ccc1C(F)F 95347763 WQYFQJRYDDBGOK-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB in-vitro CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@@H]2C 491250 UTSXCLQQDIBOGU-QCGAJHQOSA-N 276.444 3.256 5 40 CGBB biogenic CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCC1 20452503 ZYCZCACFTPZXGK-DHZHZOJOSA-N 274.320 3.009 5 40 CGBB CC[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O 408803463 PERKNAPCBZENDD-LLVKDONJSA-N 295.338 3.475 5 40 CGBB O=C(c1ccccc1)c1c[nH]c2c([N+](=O)[O-])cccc12 199524553 NMZMXNMQZOYUEE-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB O=[N+]([O-])c1cc([S@@](=O)c2ccccc2)ccc1Cl 13424199 LIQQYWQEWFGIIR-GOSISDBHSA-N 281.720 3.415 5 40 CGBB C[C@H]1CCC[C@H](C)N1c1ccc([N+](=O)[O-])cc1C(=O)O 20010727 WIKHCNAMNUVCAR-UWVGGRQHSA-N 278.308 3.060 5 40 CGBB CCCN(CCC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 3174670 ILSUYQSVGXHYJZ-CMDGGOBGSA-N 276.336 3.257 5 40 CGBB Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] 25868459 LDBRINZSICWGTA-NSHDSACASA-N 260.293 3.198 5 40 CGBB O=[N+]([O-])c1cc(Cl)c(F)cc1OC(F)(F)F 95215522 QYPORAXZLYCVTJ-UHFFFAOYSA-N 259.542 3.286 5 40 CGBB C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 41155790 ODQFLPQZYKYSNG-NSHDSACASA-N 298.298 3.023 5 40 CGBB CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48274182 IPDBSYFGWZITHZ-UHFFFAOYSA-N 288.351 3.024 5 40 CGBB O=C(c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 37222439 UHAWVKSYIXMGGF-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 9157667 KYTRLLSNJZCFMN-VIFPVBQESA-N 262.240 3.269 5 40 CGBB Cc1cc([N+](=O)[O-])c(N)cc1N1[C@@H](C)CCC[C@H]1C 216863409 QZAAWQXPQYXOLB-PHIMTYICSA-N 263.341 3.253 5 40 CGBB CCOc1ccc2nc3cc(Cl)ccc3[n+](C)c2c1 5699031 XPFKIXXRAKKBFP-UHFFFAOYSA-N 273.743 3.265 5 40 CGBB CCC(CC)Nc1ncc([N+](=O)[O-])cc1Br 78995532 MQUZPUSPSYFWTG-UHFFFAOYSA-N 288.145 3.353 5 40 CGBB O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2o1 3286551 RDKUUACFEGXQFP-UHFFFAOYSA-N 283.239 3.074 5 40 CGBB O=[N+]([O-])c1ccc(OC[C@@H]2CC(c3ccccc3)=NO2)cc1 5219373 HWSCRCWCJFWZQO-HNNXBMFYSA-N 298.298 3.167 5 40 CGBB Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 7223330 HDLGIGIPIBXXEI-GFCCVEGCSA-N 299.330 3.342 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 485326 DIKKAHTWGDQKDM-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3245613 MNEZKGYMESFORC-UHFFFAOYSA-N 299.710 3.020 5 40 CGBB C[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 97162035 CZRLSCJLZVHXKK-NSHDSACASA-N 271.320 3.472 5 40 CGBB O=c1c2ccccc2[nH]c2c(N3CCCC3)cccc12 223813356 BTRVFGCBZFVFFQ-UHFFFAOYSA-N 264.328 3.282 5 40 CGBB c1ccc(CC[N+]2(Cc3ccccc3)CCOCC2)cc1 1664762 JRUUSMFHYNPWHF-UHFFFAOYSA-N 282.407 3.276 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccccc2)cc1[N+](=O)[O-] 4450079 ZBWJTKSSDSNBSR-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB CCc1noc(-c2ccc(NC(C)C)c([N+](=O)[O-])c2)n1 20897976 TUCIQJNZXCYWAW-UHFFFAOYSA-N 276.296 3.028 5 40 CGBB Nc1cc(Sc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 5338567 PWMJQNLEOUFNHV-UHFFFAOYSA-N 286.316 3.205 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccccc2[N+](=O)[O-])nc1 159624131 XLQJNKOOPFJRBR-UHFFFAOYSA-N 291.288 3.190 5 40 CGBB Cc1c[nH]c2cc(Br)cc([N+](=O)[O-])c12 2507109 CUAKXJRQJGNPCG-UHFFFAOYSA-N 255.071 3.147 5 40 CGBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1F 6884560 VYOVJCGRGHOSAG-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB O=c1c2ccccc2oc2nc(-c3cccnc3)ccc12 1395743 HTPXKIMNZRQULG-UHFFFAOYSA-N 274.279 3.403 5 40 CGBB COc1ccc(NC(=O)N2CCCC2(C)C)cc1[N+](=O)[O-] 96501357 XQFZSNAGAYOUGB-UHFFFAOYSA-N 293.323 3.010 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCCCCC1 12601443 WJZZTRVDXSCGDB-UHFFFAOYSA-N 263.297 3.003 5 40 CGBB CC(C)OC(=O)c1ccc2nc3ccccc3nc2c1 4811954 XVOYQUOLLGCTBL-UHFFFAOYSA-N 266.300 3.348 5 40 CGBB CCOc1cccc(NCc2cccc(C)n2)c1[N+](=O)[O-] 97085150 WURNQRYTXDZYCP-UHFFFAOYSA-N 287.319 3.309 5 40 CGBB Cc1ccc([N+](=O)[O-])c(N[C@H](C)COCC(F)(F)F)c1 88715812 YNSXHGVMGXUNJW-SECBINFHSA-N 292.257 3.283 5 40 CGBB O=C1N/C(=C\Sc2ccccc2)c2c1cccc2[N+](=O)[O-] 5774817 DHTJFBSCDHOXTJ-XFXZXTDPSA-N 298.323 3.429 5 40 CGBB Cc1c(C(=O)O[C@@H](C)CC[N+](C)(C)C)oc2ccccc12 1755799 RWZOXMFVUMITHO-LBPRGKRZSA-N 290.383 3.383 5 40 CGBB Cn1/c(=N\c2ccccc2[N+](=O)[O-])sc2ccccc21 103014092 AAYJCJQOGBMCHQ-CCEZHUSRSA-N 285.328 3.380 5 40 CGBB O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4699022 NUFATNOGRIQEOU-GQCTYLIASA-N 292.678 3.493 5 40 CGBB CC(C)C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] 75110726 DEJXKYNDBURZDU-LBPRGKRZSA-N 263.341 3.395 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2CCCC[C@H]21 1020911 UIFLHGMKOCKTAP-IUODEOHRSA-N 288.347 3.390 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 6330215 IQNRGVGGDIXUJP-UHFFFAOYSA-N 268.700 3.377 5 40 CGBB CCCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC 3668281 JJDJCBZOUZQCRG-NTMALXAHSA-N 251.282 3.122 5 40 CGBB CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408908649 XDSBIMZLPNOLBN-FOWTUZBSSA-N 296.326 3.272 5 40 CGBB COC(=O)c1cnc(/C=C/c2csc([N+](=O)[O-])c2)s1 71855210 XWKFYALZSIVJOV-NSCUHMNNSA-N 296.329 3.070 5 40 CGBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1O 408542090 GXPIIYXTRXTUEI-ALCCZGGFSA-N 290.275 3.166 5 40 CGBB Cc1ccccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] 12599346 ZBENQDUUHHJDLY-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1c(NC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] 32841334 JDUBZNNNBCYAAY-UHFFFAOYSA-N 285.303 3.225 5 40 CGBB CCOC(=S)SCc1ccc([N+](=O)[O-])cc1 1737481 BVEDMKOMGCTFBZ-UHFFFAOYSA-N 257.336 3.149 5 40 CGBB O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccc([N+](=O)[O-])cc1 1744919 JJXUABQDTODGDH-DLBZAZTESA-N 295.294 3.234 5 40 CGBB COc1c(C)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 14258308 DSPRGTSCOAZIFW-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 5512932 BTXUPWCJJCZLFV-DHZHZOJOSA-N 288.347 3.305 5 40 CGBB CCCC[C@@H](CC)CNC(=O)Cc1ccccc1[N+](=O)[O-] 57025778 BUDRLEIIQXOEGF-CYBMUJFWSA-N 292.379 3.470 5 40 CGBB O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1 20031321 RJCHLMMUWWBOSH-UHFFFAOYSA-N 264.668 3.222 5 40 CGBB CCCNC(=S)Nc1cc2ncccc2c2cccnc12 408974309 DZEAHUDWSHPIAK-UHFFFAOYSA-N 296.399 3.479 5 40 CGBB O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)c2ncccc12 95460494 NNUHVCGANWAFEG-UHFFFAOYSA-N 282.303 3.126 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OCCc3ccccc3)c2c1 72226535 WQONSXMJGDTIBP-UHFFFAOYSA-N 283.287 3.093 5 40 CGBB Cc1cc2oc(=O)c([N+](=O)[O-])c(Cl)c2cc1Cl 57777 IUKUFEBYXNMGLE-UHFFFAOYSA-N 274.059 3.316 5 40 CGBB biogenic CC(C)Nc1cc([N+](=O)[O-])ccc1Br 41578978 TWSKFAREHFXYQE-UHFFFAOYSA-N 259.103 3.178 5 40 CGBB COc1cccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)c1 17039676 YYRHLLBVFIMNOJ-OQLLNIDSSA-N 299.282 3.229 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@H]21 8406598 PAYZXRVLYVNQGZ-SWLSCSKDSA-N 288.347 3.390 5 40 CGBB CC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 8056208 JUCRTZSEGLGQSX-JTQLQIEISA-N 262.309 3.034 5 40 CGBB Cn1c(CNc2ccc([N+](=O)[O-])cc2)nc2ccccc21 9911258 MCMVRGVWYFSECQ-UHFFFAOYSA-N 282.303 3.094 5 40 CGBB COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])c(OC)c1 408544980 WNHJDAPLLPQHHF-ALCCZGGFSA-N 290.275 3.079 5 40 CGBB Cc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c(F)c1 77024136 WBTQUDUAOZOQTG-UHFFFAOYSA-N 275.235 3.408 5 40 CGBB Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 22531019 SAYXLGUEXDSMMF-GFCCVEGCSA-N 284.315 3.394 5 40 CGBB Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] 58218041 AQPLXYYHXRTHIZ-HNNXBMFYSA-N 299.330 3.209 5 40 CGBB Cc1c(NC(=O)C[C@@H](C)n2cccc2)cccc1[N+](=O)[O-] 69812705 VOYOBRPOQUJZAO-LLVKDONJSA-N 287.319 3.295 5 40 CGBB CCc1c(C(C)C)[nH]c2cc([N+](=O)[O-])ccc2c1=O 685938581 WPXNPOIFSYAIEW-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 4278953 NYZBTKAPBGEXEF-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB CC(=O)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 265314 ZFYHTTFVFJMUKS-UHFFFAOYSA-N 285.255 3.017 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(OC)cc1 8729952 QZCVARJOWOPXOO-UHFFFAOYSA-N 287.271 3.057 5 40 CGBB C[C@H](Cc1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1 3211592 DOZOLDXFHVPQEM-SNVBAGLBSA-N 290.344 3.017 5 40 CGBB Cc1ccc(F)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 18115481 OYUDQQVHSQQSKU-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB COc1cc2c3c(cc4ccccc4c3c1O)NC2=O 13484719 KBGNBPGXVKPRQI-UHFFFAOYSA-N 265.268 3.273 5 40 CGBB endogenous,in-man Cc1cc(C(=O)NCCSC(C)(C)C)ccc1[N+](=O)[O-] 66738069 RCBQVUQOYURMNW-UHFFFAOYSA-N 296.392 3.165 5 40 CGBB Cc1cc([N+](=O)[O-])cnc1Sc1nnc(C2CC2)s1 92663559 DOAKCLBXNNPLSS-UHFFFAOYSA-N 294.361 3.178 5 40 CGBB Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 5504055 AAMPIRQLXWIYCV-UHFFFAOYSA-N 253.261 3.447 5 40 CGBB Cc1c(N)cccc1-c1nc2ccc([N+](=O)[O-])cc2o1 216926519 MKAKRLWOJNQDQR-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccco1 4854352 UBJAOPSZBZOEIX-FNORWQNLSA-N 272.260 3.148 5 40 CGBB O=[N+]([O-])c1cccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c1 9513724 YCSBHMUJRKKIKK-CHWSQXEVSA-N 291.376 3.098 5 40 CGBB CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1749063 DODQJPGZSYQIHV-UHFFFAOYSA-N 272.260 3.346 5 40 CGBB O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1 59078626 WPRBNPDOSBMLQP-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB CC(C)c1ccc([N+](=O)[O-])cc1I 59102135 JFOQZXKNSMZHNE-UHFFFAOYSA-N 291.088 3.323 5 40 CGBB C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 56181405 CQWLBNVUWKPCJQ-SECBINFHSA-N 290.275 3.147 5 40 CGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(F)(F)F 57316784 NAEHPFAZYLCMBU-UHFFFAOYSA-N 282.605 3.057 5 40 CGBB O=C(CC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 3569853 ISKQXFGQCBKZDL-UHFFFAOYSA-N 266.272 3.253 5 40 CGBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cccs3)n2)cc1 64874541 ICEOVMVLUQUENN-UHFFFAOYSA-N 272.289 3.108 5 40 CGBB COc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4154752 VRRFUDMMPSGDSM-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCCC1 17007752 SOCCEUJTWLOIPT-UHFFFAOYSA-N 277.324 3.311 5 40 CGBB Cc1cc([N+](=O)[O-])cnc1N1CCC(Cl)=C(Cl)C1 95467535 KOPDWYMVEWQVBR-UHFFFAOYSA-N 288.134 3.198 5 40 CGBB O=Cc1ccc2c(Cl)cc(Cl)c([N+](=O)[O-])c2n1 72221165 HMNJXGVYHHFIHZ-UHFFFAOYSA-N 271.059 3.262 5 40 CGBB Cc1cc(N2CCCC2)nc2ccc([N+](=O)[O-])cc12 19816171 BYIUVFQSFOEFAQ-UHFFFAOYSA-N 257.293 3.052 5 40 CGBB Nc1ccc(OCCCc2ccccc2)c([N+](=O)[O-])c1 1749272 ISJHEUKBXJSLOQ-UHFFFAOYSA-N 272.304 3.189 5 40 CGBB Cc1csc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])n1 3277821 XTDFJOXOUFCPAI-UHFFFAOYSA-N 296.329 3.209 5 40 CGBB O=[N+]([O-])c1cccc(CNc2nccc(C(F)(F)F)n2)c1 67383801 GNRVNXMZFIOLDB-UHFFFAOYSA-N 298.224 3.016 5 40 CGBB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 11201382 HTPXWWPHMPCWPA-INIZCTEOSA-N 296.326 3.476 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1cn[nH]c1 30587634 AACQBJXALAGGHI-UHFFFAOYSA-N 272.186 3.080 5 40 CGBB C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[N+](=O)[O-] 33379227 VSYWVXPFHXHXII-CMDGGOBGSA-N 274.232 3.492 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccccc1 5379224 MCXDADGIPOKOLK-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 8168217 GHDHBDATSMEEHG-GFCCVEGCSA-N 284.315 3.128 5 40 CGBB NC(=O)c1ccc(CSc2cccs2)c([N+](=O)[O-])c1 75140383 CWSZCMVNNKEIQN-UHFFFAOYSA-N 294.357 3.048 5 40 CGBB O=C(Nc1nc([N+](=O)[O-])cs1)c1cc2ccccc2o1 3901056 ANHDEHHSBGBYGC-UHFFFAOYSA-N 289.272 3.050 5 40 CGBB C[C@H]1CCCN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 4300025 YGOFPKSTSOPTPT-JTQLQIEISA-N 281.331 3.036 5 40 CGBB CCC[N+](C)(C)[C@H](C)[C@H](OC(C)=O)c1ccccc1 5252404 DEAFFDUUUHQLEP-CJNGLKHVSA-N 264.389 3.166 5 40 CGBB Cc1cn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 91302116 JMLCVCGQBRZYOZ-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB in-vitro CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 235683 BLYZNKPUPAPFOU-CSKARUKUSA-N 287.271 3.431 5 40 CGBB O=[N+]([O-])c1cc(Br)sc1Br 4205255 HYJLCFYMHSSKHD-UHFFFAOYSA-N 286.932 3.181 5 40 CGBB CCCN(CCC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34742538 OFXCRXLTJJLOIB-UHFFFAOYSA-N 267.285 3.129 5 40 CGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Oc1ccccc1 3332000 LFESLSUUKJWGKC-ZHACJKMWSA-N 269.256 3.214 5 40 CGBB Cc1ccc(F)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 4548682 ATBQMFOQZAUBIL-GQCTYLIASA-N 290.250 3.287 5 40 CGBB COc1ccc([C@H](O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 226292406 JDPFBBPMOYEEBO-INIZCTEOSA-N 287.315 3.302 5 40 CGBB C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 43856 RGCYEVNRTAUMIZ-GFCCVEGCSA-N 284.315 3.128 5 40 CGBB O=[N+]([O-])c1ccc(F)cc1OC(Cl)(Cl)Cl 95215692 RRQBBEUBEVQMRG-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB COc1ccc(-c2ccccc2[N+](=O)[O-])c(OC)c1 344455 WKHVAQKNKVBRON-UHFFFAOYSA-N 259.261 3.279 5 40 CGBB O=[N+]([O-])c1ccc(-c2cc3ccccc3[n+]([O-])c2)cc1 1701639 QMCDTZMDLQZURT-UHFFFAOYSA-N 266.256 3.048 5 40 CGBB CCCN(CCC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 71624594 WDAJSILZCVZHRZ-GFCCVEGCSA-N 278.352 3.347 5 40 CGBB CN(C)C(=S)Nc1cc2ncccc2c2cccnc12 33613342 AVTLWGWEDJKVQQ-UHFFFAOYSA-N 282.372 3.041 5 40 CGBB CCOP(=O)(OCC)[C@H](C[N+](=O)[O-])c1ccccc1 3011994 IVURFUDNUSBKNB-GFCCVEGCSA-N 287.252 3.271 5 40 CGBB COc1ccc([C@@H]2CC(=O)c3cc([N+](=O)[O-])ccc3O2)cc1 32815414 JARCUJRYABOTHZ-INIZCTEOSA-N 299.282 3.310 5 40 CGBB Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 3845526 NSVAVOSVRIFNMF-RJRFIUFISA-N 285.259 3.256 5 40 CGBB Cc1cc([N+](=O)[O-])cnc1NCc1csc(C(C)C)n1 92651112 BDPOCYPNIBTWFW-UHFFFAOYSA-N 292.364 3.490 5 40 CGBB C[N+]1(C)CCCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 1577620 KTNUVEVUPCPDIR-IBGZPJMESA-N 296.434 3.204 5 40 CGBB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 78998242 PKEUUZGGOFCNDL-VIFPVBQESA-N 299.286 3.202 5 40 CGBB Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 21508886 MWRTZOJKSYZCAG-UHFFFAOYSA-N 272.260 3.345 5 40 CGBB CC(=O)[C@H](C)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 8488467 JIGXNVLFNIAKBD-JTQLQIEISA-N 298.294 3.008 5 40 CGBB biogenic O=Cc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5002659 NZUUZNCJSMPENY-UHFFFAOYSA-N 286.243 3.018 5 40 CGBB CCCC(=O)Nc1ccc(Cc2ccccn2)c([N+](=O)[O-])c1 4193 CZKQVCYQBJJAGG-UHFFFAOYSA-N 299.330 3.319 5 40 CGBB investigational Cc1ccc(NC(=O)c2ccccc2)cc1[N+](=O)[O-] 3123554 BGNVVFFDLZQZMT-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB C[C@@]1(c2ccccc2)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]21 4981690 NNEFSNCOOGBWSC-PVAVHDDUSA-N 294.310 3.285 5 40 CGBB CC(C)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72228984 SSGVIOISYBWCGW-UHFFFAOYSA-N 277.107 3.496 5 40 CGBB CN(C)c1c(Br)cc(Cl)cc1[N+](=O)[O-] 45886117 MCBGORSOAWTADL-UHFFFAOYSA-N 279.521 3.077 5 40 CGBB Cc1ccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 32777853 CXZYXBHHOCIFEM-UHFFFAOYSA-N 285.307 3.011 5 40 CGBB O=c1oc2c3ccccc3c3oc(=O)sc3c2s1 134305 IXOOSUMFTRFGHL-UHFFFAOYSA-N 276.294 3.176 5 40 CGBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3CO2)c1 1714838 BMTYRHXRPZSTJQ-CQSZACIVSA-N 256.261 3.236 5 40 CGBB CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 7804012 CZKAXEOPUUHRQH-MRVPVSSYSA-N 270.716 3.023 5 40 CGBB CCOc1cc(Br)c([N+](=O)[O-])cc1OCC 3886790 RLCUSTMNIBFKBZ-UHFFFAOYSA-N 290.113 3.155 5 40 CGBB CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2Cl)n1 22530220 BSKSJNPVZAYWEV-UHFFFAOYSA-N 284.728 3.080 5 40 CGBB O=C(O[C@H]1C=C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1 5046066 UEZJBGRYPHGUOE-QKCSRTOESA-N 273.288 3.106 5 40 CGBB O=C(O[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 12782554 JLXMNGWEFBFQSN-OAHLLOKOSA-N 283.283 3.439 5 40 CGBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3cccs3)n2)c1 64874540 PHXPEODBBCWWDF-UHFFFAOYSA-N 272.289 3.108 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1N[C@H]1OC(=O)c2ccccc21 40476874 IZRILQAUEZKKCW-AWEZNQCLSA-N 284.271 3.184 5 40 CGBB C[N+](C)(C)c1ccc2nc3ccc([N+](C)(C)C)cc3nc2c1 3843431 RZSOGXHVDHDWSS-UHFFFAOYSA-N 296.418 3.176 5 40 CGBB CCc1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc1C 20095054 XIWFQSLNCJLKBX-UHFFFAOYSA-N 277.349 3.481 5 40 CGBB Cc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 75320 JLAUBDMBLWWDCY-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F 77028490 CKBZMBPBJXHJTF-UHFFFAOYSA-N 263.199 3.104 5 40 CGBB Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1CCCCC1 1685322 ZOOJQSXVBIECPW-UHFFFAOYSA-N 287.363 3.413 5 40 CGBB CSc1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1 3503062 PNRWCLLUSNSHEP-UHFFFAOYSA-N 293.300 3.267 5 40 CGBB O=C(Nc1cc2cccnc2c2ncccc12)N1CCCC1 6423055 HNKNFGDQQBTMCW-UHFFFAOYSA-N 292.342 3.411 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 22806704 KLRMHTOSDKABKJ-QMMMGPOBSA-N 279.246 3.441 5 40 CGBB CCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 9816386 KHFCVKTUDRNUTQ-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB O=c1oc2ccccc2c(NC2CCCC2)c1[N+](=O)[O-] 4380930 ZNIHXYOHYXPNGH-UHFFFAOYSA-N 274.276 3.056 5 40 CGBB Cc1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C 5548651 HBTNDBONRRZDNC-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB COc1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1OC 96460609 DBBYZNSERRMIHM-VOTSOKGWSA-N 286.287 3.177 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C/c2ncccn2)c1 16931272 VTQOZIYFJSBGCE-GORDUTHDSA-N 261.668 3.209 5 40 CGBB Cc1nc(-c2cccc([N+](=O)[O-])c2)ccc1-c1cc[nH]n1 72448732 OZZGBZUNUUOBFO-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 3237379 BNENQSLQCVUFQE-DHZHZOJOSA-N 283.283 3.351 5 40 CGBB O=c1c2ccccc2[nH]c2ccc(Br)cc12 5479731 DKFRCJAPAAFCQF-UHFFFAOYSA-N 274.117 3.444 5 40 CGBB O=C(c1ccccc1)[C@@H]1N=NC[C@@H]1c1ccc([N+](=O)[O-])cc1 4726269 UZLZXBNRZHPDMM-HUUCEWRRSA-N 295.298 3.396 5 40 CGBB C[C@@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cn1 13012935 BCKXHCNBASZJQI-JTQLQIEISA-N 275.283 3.326 5 40 CGBB Cc1cccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)c1 17242007 GNWZWRQSKVTBKT-UHFFFAOYSA-N 265.700 3.110 5 40 CGBB Cc1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)ccc1N 216925498 LWYOVVBBHRKYEG-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB CC(C)(C)OC(=O)Nc1nn(C2CCCC2)cc1[N+](=O)[O-] 1548918951 VWZGHPUEYHFDTP-UHFFFAOYSA-N 296.327 3.253 5 40 CGBB Cc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)oc1C 8332986 DJIKELOZTCESLH-UHFFFAOYSA-N 292.316 3.175 5 40 CGBB O=C(NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 2740175 LGKNOKGVKBAWQY-UHFFFAOYSA-N 298.342 3.348 5 40 CGBB CCOC(=O)CCCCCC(=O)c1ccc([N+](=O)[O-])cc1 2580316 GRNCETBIEJELOA-UHFFFAOYSA-N 293.319 3.291 5 40 CGBB CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 5418048 JGSSDAWWDOMHMY-UHFFFAOYSA-N 264.325 3.213 5 40 CGBB Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 7036583 CJPPQKGGZBTGRO-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccco1 72228656 TXZLMYGKQZYYKP-UHFFFAOYSA-N 274.276 3.311 5 40 CGBB O=[N+]([O-])c1ccc2[nH]c(Cc3ccccc3)nc2c1 5425467 UMWIVOZCYNITGG-UHFFFAOYSA-N 253.261 3.062 5 40 CGBB Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1[N+](=O)[O-] 207058485 LYCUVBXVFNUZPF-VOTSOKGWSA-N 274.232 3.411 5 40 CGBB O=c1ccc([N+](=O)[O-])cn1Cc1ccc(Cl)c(Cl)c1 10023488 JMNRWOXUROIALK-UHFFFAOYSA-N 299.113 3.112 5 40 CGBB CCS[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] 75105364 WMTSXWXMNNFWFX-JQWIXIFHSA-N 281.381 3.466 5 40 CGBB COc1ccc2[nH]cc(C(=O)c3cccc([N+](=O)[O-])c3)c2c1 199721129 VBMFJCPNVCDMPO-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB C[C@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 209582 VZWSOLNGXWPCFO-VIFPVBQESA-N 282.727 3.263 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2s1 481414 WVRCLOQDSRMFMU-UHFFFAOYSA-N 292.345 3.089 5 40 CGBB O=[N+]([O-])C1CCC(C2=CS[C@@H]3CCCC[C@@H]3N2)CC1 1735533 OPNMOFNWYVWOHA-CXHDDBMJSA-N 282.409 3.311 5 40 CGBB Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2c1[N+](=O)[O-] 4122108 SJQYRFMYABUAQV-UHFFFAOYSA-N 287.193 3.337 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(Cl)c1 12773701 IBJCXQLCVHOOKW-UHFFFAOYSA-N 280.667 3.402 5 40 CGBB C[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 579946 AGCQNDIKGISYDP-GFCCVEGCSA-N 284.315 3.015 5 40 CGBB O=C(Nc1cccc2cccnc12)c1ccc([N+](=O)[O-])s1 12599342 VLAVGFNJOYIWPU-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@@H]2C1 8161096 CDEUIZXPPIBTLT-GXTWGEPZSA-N 288.347 3.247 5 40 CGBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC[C@H]1C 45886615 XYQOSFNOTXCKNS-SNVBAGLBSA-N 279.296 3.190 5 40 CGBB Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2)o1 103517437 PJFHGUUXMLGKGW-UHFFFAOYSA-N 298.302 3.200 5 40 CGBB Cc1ccc2c(n1)sc1c2nnn2c3ccccc3nc12 12462686 UOUIDEYQGKFIDC-UHFFFAOYSA-N 291.339 3.349 5 40 CGBB Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 35334129 PYAHEAKTWNUXPN-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 15744947 PSHVGLBTJYOQKC-CYBMUJFWSA-N 298.342 3.437 5 40 CGBB O=[N+]([O-])c1ccccc1-c1nnc(S)n1-c1ccccc1 16049354 YIYIJUKYKCHNIP-UHFFFAOYSA-N 298.327 3.131 5 40 CGBB CCN(C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4127810 RBOYFFGZSYTZME-UHFFFAOYSA-N 270.288 3.262 5 40 CGBB CCC[N+](C)(C)[C@@H](C)[C@H](OC(C)=O)c1ccccc1 5252401 DEAFFDUUUHQLEP-BBRMVZONSA-N 264.389 3.166 5 40 CGBB CC(C)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 9498702 BJRLIPYCLHPSRO-UHFFFAOYSA-N 279.321 3.393 5 40 CGBB C[C@H](O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 53601900 JTGUKKOAWABARD-JTQLQIEISA-N 290.294 3.399 5 40 CGBB CC(C)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 45032738 SWNMZGKOQGOUBJ-UHFFFAOYSA-N 277.324 3.247 5 40 CGBB Cc1cnc(OCc2ncc(C(C)(C)C)o2)c([N+](=O)[O-])c1 95453268 JGFZULYIMAJJLZ-UHFFFAOYSA-N 291.307 3.163 5 40 CGBB O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1CC1 52390354 VVUTUSCKWPFHOG-UHFFFAOYSA-N 299.286 3.131 5 40 CGBB Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 38467 WIBCITOJDNRTAD-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1 93249 ZMKRKGVCQKZVRV-UHFFFAOYSA-N 294.650 3.134 5 40 CGBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 93617 QRZWQIKFHYAHFP-UHFFFAOYSA-N 289.243 3.094 5 40 CGBB Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1N 216926553 HQGHTTIDZAWQLZ-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB Cc1ccc(C(=O)CNc2cccc([N+](=O)[O-])c2)cc1 287320 VPWKYHYRBBBRCY-UHFFFAOYSA-N 270.288 3.198 5 40 CGBB O=c1nc(Oc2ccccc2)nc2c3ccccc3ccn12 1565100 DWYSGBCSMHFOID-UHFFFAOYSA-N 289.294 3.035 5 40 CGBB c1cc[n+]2cc3ccc4cc5cccc[n+]5cc4c3cc2c1 1713659 HIHDADCIQCUMGU-UHFFFAOYSA-N 282.346 3.470 5 40 CGBB O=C(c1ccc2nc3ccccc3nc2c1)N1CCCC1 96573888 FBJHHGKTMAXYBL-UHFFFAOYSA-N 277.327 3.019 5 40 CGBB CCCCC(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 27318340 WLXHBIGUIQZPIU-UHFFFAOYSA-N 250.298 3.286 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC(=O)c2ccccc21 40476875 IZRILQAUEZKKCW-CQSZACIVSA-N 284.271 3.184 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc(Cl)c3c(n2)CCCC3)o1 1565156 AMZGQFFSYYMGLY-UHFFFAOYSA-N 279.683 3.177 5 40 CGBB COc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 5064201 FQWRHMAYPLRNJE-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 6315380 UZZMSDAZUUEXEY-UHFFFAOYSA-N 259.290 3.279 5 40 CGBB CCC[C@H]1[C@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 84740582 ZXGAJGQMXVHRTN-YPMHNXCESA-N 263.341 3.395 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F 36781874 UBVCLFVZUDDZKH-QMMMGPOBSA-N 279.246 3.441 5 40 CGBB O=[N+]([O-])/C(=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 16926135 ILMKYKYICJNYPH-GXDHUFHOSA-N 270.244 3.370 5 40 CGBB COc1c([N+](=O)[O-])cc(C(C)(C)C)c(C)c1[N+](=O)[O-] 1656032 HSWDCZSBXABAPP-UHFFFAOYSA-N 268.269 3.118 5 40 CGBB COc1ccccc1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4974766 LYOFGDFZPCZEQI-JYRVWZFOSA-N 296.282 3.096 5 40 CGBB Cc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 8411628 YQJRGGLCEGNBSD-UHFFFAOYSA-N 285.347 3.105 5 40 CGBB CN(C)C(=S)c1ccc(-c2ccccc2[N+](=O)[O-])o1 40542511 CPAZDWSMVJNCAT-UHFFFAOYSA-N 276.317 3.092 5 40 CGBB COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 12617860 MPGGMNDETZJFDL-JTQLQIEISA-N 273.292 3.172 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCCC2)c1 3327547 XROONOXJOKWDQA-UHFFFAOYSA-N 285.756 3.041 5 40 CGBB O=C(O)c1ccc([N+](=O)[O-])cc1Oc1ccccc1 38885485 HDUUAIBSNJZTMQ-UHFFFAOYSA-N 259.217 3.085 5 40 CGBB O=Cc1cn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 216959797 SJOBAKDCCIQCMI-UHFFFAOYSA-N 294.266 3.051 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 43439687 JTJBOKJQQFQURC-UHFFFAOYSA-N 289.203 3.078 5 40 CGBB C[N+]1(C)[C@H]2CCC[C@H]1CC(OC(=O)c1ccccc1)C2 100745359 YTYIVMLMRFPEDG-GJZGRUSLSA-N 274.384 3.003 5 40 CGBB biogenic O=C(O)c1ccc2oc3ccc(Cl)cc3c(=O)c2c1 62710514 VQTMHJSUIGMOLT-UHFFFAOYSA-N 274.659 3.298 5 40 CGBB O=[N+]([O-])c1cccc(Br)c1C(F)F 238543711 AXCVJURTKGSHLC-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)s1 7125710 NJBYQJRXEKPOTQ-UHFFFAOYSA-N 277.301 3.226 5 40 CGBB CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 19651529 GJIFOTRVATVFOU-UHFFFAOYSA-N 257.293 3.016 5 40 CGBB Cc1c(NC(=O)CCc2ccccc2)cccc1[N+](=O)[O-] 38785 OLDGYDSZPLUSHT-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB C[C@@H](c1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 32841958 ICKNKBJDVHSRBB-JTQLQIEISA-N 290.344 3.490 5 40 CGBB COc1ccc(C2SCCS2)cc1[N+](=O)[O-] 31489 MZWIVIIHYBRSSA-UHFFFAOYSA-N 257.336 3.082 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)c1cncc2ccccc12 45028895 FSXLAFAJNPKRIU-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB O=[N+]([O-])c1ccc(COc2ncnc3sccc23)cc1 3512484 DQAJIORYUMXLIA-UHFFFAOYSA-N 287.300 3.179 5 40 CGBB COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 73640222 MXMIPAAVCVQORB-UHFFFAOYSA-N 281.651 3.295 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccco2)cc1OC(F)F 96429081 QZYOJBZCSSCYDN-UHFFFAOYSA-N 284.218 3.401 5 40 CGBB CC[C@@H](C)n1ncc([N+](=O)[O-])c1NC(=O)OC(C)(C)C 1548918619 BBXLRYVSFJZKLN-MRVPVSSYSA-N 284.316 3.109 5 40 CGBB COc1ccc(CSc2ccccn2)cc1[N+](=O)[O-] 62741 ONPLSEUXJNRPBM-UHFFFAOYSA-N 276.317 3.291 5 40 CGBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCC(C)C 33653385 HETYUZZKUMFPNK-BQYQJAHWSA-N 265.309 3.368 5 40 CGBB CC(C)O[P@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 5381384 YSHVIWJFWCEDSQ-KRWDZBQOSA-N 259.198 3.222 5 40 CGBB COc1ccc(CSc2nnc(C)s2)cc1[N+](=O)[O-] 62423 QMLQEXCFDKLQQC-UHFFFAOYSA-N 297.361 3.056 5 40 CGBB Cn1nc(-c2cccs2)c2cc([N+](=O)[O-])ccc21 11691804 LUPRLPLTOQGSRE-UHFFFAOYSA-N 259.290 3.210 5 40 CGBB O=[N+]([O-])c1cccc(F)c1OC(Cl)(Cl)Cl 95215551 GWNMEUXUNMDTCV-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)C1CC1 4079324 NOAZBLREPKAWAF-UHFFFAOYSA-N 295.345 3.128 5 40 CGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 559843 DSVZLKKBTKFMBC-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB COc1c(C)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1 9141708 MEUWSHMDFCVGES-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB CCCC[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2 1833734 VBOCSQAMZGTLAV-RMXPPQQLSA-N 288.411 3.253 5 40 CGBB CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C 40118954 SLSYRGCRHALROQ-UHFFFAOYSA-N 291.332 3.174 5 40 CGBB O=C(CCc1ccccc1)Oc1ccccc1[N+](=O)[O-] 358727 QIRSBSAUGCCRRK-UHFFFAOYSA-N 271.272 3.133 5 40 CGBB CC(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 7983320 ZVIZWHYJEHMZPO-UHFFFAOYSA-N 276.317 3.471 5 40 CGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100631557 JGBBQPNRTHIWRY-KKZNHRDASA-N 278.283 3.109 5 40 CGBB O=C(O)c1cnc2ccc3ncccc3c2c1Cl 218259425 SHCHNPVFQJHKRQ-UHFFFAOYSA-N 258.664 3.135 5 40 CGBB Cc1ccc2oc3c(oc(=O)c4ccccc43)c(=O)c2c1 151694 ZPDKORVUWFFFFB-UHFFFAOYSA-N 278.263 3.361 5 40 CGBB O=C(Sc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 6424118 IEGRSHWYMZYDFH-UHFFFAOYSA-N 299.311 3.404 5 40 CGBB Cc1c(C(=O)O[C@H](C)CC[N+](C)(C)C)oc2ccccc12 1755801 RWZOXMFVUMITHO-GFCCVEGCSA-N 290.383 3.383 5 40 CGBB CCc1ccccc1NC(=O)CNc1ccc([N+](=O)[O-])cc1 9322893 MCTCUJKOKZATQC-UHFFFAOYSA-N 299.330 3.208 5 40 CGBB CN(Cc1csc([N+](=O)[O-])c1)C1Cc2ccccc2C1 69418287 SCHUIXCOSKDYSG-UHFFFAOYSA-N 288.372 3.256 5 40 CGBB Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 15744313 DYWZUXOWNWFLFN-ZDUSSCGKSA-N 298.342 3.437 5 40 CGBB CC(C)C[C@@H](C)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 1727662 RRPNEQZFHPPPDM-SFYZADRCSA-N 292.590 3.453 5 40 CGBB C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 995168 YRCYPHKIAUZZNY-SECBINFHSA-N 282.727 3.120 5 40 CGBB CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 95977803 QIMOPOOSMYMTDS-UHFFFAOYSA-N 284.743 3.414 5 40 CGBB Cc1nn(C)c(N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] 47330973 AJERJPYCVPGHFZ-CYBMUJFWSA-N 286.335 3.126 5 40 CGBB O=C(O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 11864111 SMARJHDDHWGKBL-RMKNXTFCSA-N 299.282 3.272 5 40 CGBB O=[N+]([O-])c1cccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c1 9513723 YCSBHMUJRKKIKK-STQMWFEESA-N 291.376 3.098 5 40 CGBB Cc1cc(N(C)C(=O)C2CCCCC2)ccc1[N+](=O)[O-] 84101500 JPXJOWGJOROUBL-UHFFFAOYSA-N 276.336 3.446 5 40 CGBB O=[N+]([O-])c1cccc(OCCOc2cccnc2Cl)c1 78791450 OHYBPOICTXZYCB-UHFFFAOYSA-N 294.694 3.101 5 40 CGBB O=C(Nc1cc2ccncc2c2ncccc12)NC1CC1 408974827 HEZDLFBJCABCEW-UHFFFAOYSA-N 278.315 3.067 5 40 CGBB CC(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1[N+](=O)[O-] 4334602 STTLLCCNWMZSAD-UHFFFAOYSA-N 298.604 3.105 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 225359 VCQHOYJHMUNVJI-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 1703918 FZYBNQCDUUMFMA-VIFPVBQESA-N 251.282 3.186 5 40 CGBB COC(=O)c1ccc(N(C)C2CCCCC2)c([N+](=O)[O-])c1 22796334 QNSQDINNPQJLKG-UHFFFAOYSA-N 292.335 3.150 5 40 CGBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 97039890 CQXWMIZJICDBSE-UHFFFAOYSA-N 285.303 3.167 5 40 CGBB CC(C)CN(c1ccc([N+](=O)[O-])cc1F)C1CC1 95356528 OTHICKFANQDHLM-UHFFFAOYSA-N 252.289 3.359 5 40 CGBB CCOc1ccc2c(c1)nc1cc(Cl)ccc1[n+]2C 5700977 DZSRHXYMNGGVRR-UHFFFAOYSA-N 273.743 3.265 5 40 CGBB CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 32806167 RKLQJMZOJIPGMX-UHFFFAOYSA-N 254.717 3.485 5 40 CGBB CCCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4114279 GULDLHZEGGECFG-UHFFFAOYSA-N 256.283 3.395 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@H]1C 226289508 AWHJMQSAIQQQRG-ZWNOBZJWSA-N 292.335 3.372 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C\c2cnccn2)c1 5119136 PCBRISZSUULSAM-UPHRSURJSA-N 261.668 3.209 5 40 CGBB CC(=O)c1cc2c(oc(=O)c3ccccc32)c(C)c1O 12894163 LIBSKBZKSKRHRT-UHFFFAOYSA-N 268.268 3.163 5 40 CGBB biogenic CC(C)(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 96761843 GISPMEDQPHKJCQ-UHFFFAOYSA-N 298.342 3.346 5 40 CGBB O=[N+]([O-])c1cc(F)c(Sc2ncco2)c(F)c1 390835654 UEROFIMEQBSROU-UHFFFAOYSA-N 258.205 3.012 5 40 CGBB O=[N+]([O-])c1ccccc1N[C@H](CCO)c1cccs1 72293850 KIHCKEGQCJHQLR-LLVKDONJSA-N 278.333 3.192 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 105836985 UBCQEAQWETXMQV-TZQJONAQSA-N 288.347 3.149 5 40 CGBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O 409017043 UYRDVZBTCWARAV-QCCBYXMRSA-N 296.304 3.023 5 40 CGBB CC(C)(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 38273115 AEIHOUCJAIZEFV-UHFFFAOYSA-N 256.233 3.081 5 40 CGBB Cc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] 163875636 HPHMXOPHTDIMOF-NWDGAFQWSA-N 288.351 3.049 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C)cc1 40146059 MJLVKVYUMSUCCC-BQYQJAHWSA-N 298.298 3.255 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]2C=C[C@H]1CC2 1711879 REDHCJABWWWJOG-SUNKGSAMSA-N 272.304 3.136 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1[C@@H]2CCCCCC[C@H]21 1726362 NYBPXSUFUTXYAA-ZIAGYGMSSA-N 274.320 3.142 5 40 CGBB Cc1occc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 24981014 SQPQIHGQEFLXDN-JTQLQIEISA-N 288.303 3.329 5 40 CGBB O=C(NCC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 11749938 ABANIRNJFGRMEF-UHFFFAOYSA-N 296.326 3.056 5 40 CGBB CNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1Cl 5209354 KSTDUCRHJXSLPN-UHFFFAOYSA-N 287.106 3.129 5 40 CGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C1CC1 31096835 LPTYHVJITRPKON-UHFFFAOYSA-N 296.326 3.400 5 40 CGBB Cc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)O)cc1C 40139803 KQJDLTODNLEEHS-AATRIKPKSA-N 298.298 3.475 5 40 CGBB COCc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 40083224 DFTYRXMWNRTIQH-UHFFFAOYSA-N 272.304 3.353 5 40 CGBB CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 224768 GDVDYGUSMJEILP-UHFFFAOYSA-N 270.288 3.410 5 40 CGBB O=C(OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1 3302562 SYPIQEGLANIWQV-UHFFFAOYSA-N 299.641 3.337 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1F 28210618 ATLXDZIKDUZLIH-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB CCCCNC(=O)CS[C@@H](C)c1cccc([N+](=O)[O-])c1 7132975 DICPLZFKBRWLST-NSHDSACASA-N 296.392 3.305 5 40 CGBB CCCC(=O)Nc1c(C)cc([N+](=O)[O-])cc1CC 45888194 RDAKVICYSOARAN-UHFFFAOYSA-N 250.298 3.204 5 40 CGBB COc1cccc2c1CC[C@@H]2Nc1cc(N)ccc1[N+](=O)[O-] 193476440 GJSDDOUWRNWAFR-ZDUSSCGKSA-N 299.330 3.285 5 40 CGBB O=[N+]([O-])c1cccc(Cl)c1N1CC2CC(C2)C1 1772714959 JLRXUEGIZLMYSY-UHFFFAOYSA-N 252.701 3.094 5 40 CGBB O=[N+]([O-])c1ccc(OCc2nc3ccccc3[nH]2)cc1 13219154 FLLWAOLNQOLQCD-UHFFFAOYSA-N 269.260 3.050 5 40 CGBB Cc1ccc([N+](=O)[O-])c2c1[C@H](N1CCCC1)C(C)(C)O2 4105244 NARJZUVUBYEUKW-AWEZNQCLSA-N 276.336 3.211 5 40 CGBB CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Br 45885869 GRORAAGUEMLACY-UHFFFAOYSA-N 279.521 3.077 5 40 CGBB CCC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1583639 PSOZMUMWCXLRKX-SSDOTTSWSA-N 254.242 3.112 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2c(F)cc(F)cc21 1602361 RJOVHGLQVOGJJR-UHFFFAOYSA-N 261.183 3.084 5 40 CGBB Cc1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 60463640 VBQKBRDAAJUDIT-UHFFFAOYSA-N 299.330 3.262 5 40 CGBB COc1cc(CNc2cccc(F)c2)c([N+](=O)[O-])cc1O 95428529 OSXMUSGVIDKRBN-UHFFFAOYSA-N 292.266 3.060 5 40 CGBB O=[N+]([O-])c1c(Cl)nc2cc3c(cc2c1Cl)OCO3 95098229 CYMNTDYRQGBBMO-UHFFFAOYSA-N 287.058 3.179 5 40 CGBB Cc1ccc(/N=c2\ssnc2Cl)cc1[N+](=O)[O-] 12462432 SJZFBHPBFDWARA-LUAWRHEFSA-N 287.753 3.307 5 40 CGBB O=[N+]([O-])c1c(Oc2ccccc2F)nc2sccn12 9378312 WIEFVSDSLNBUDV-UHFFFAOYSA-N 279.252 3.235 5 40 CGBB CCOc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 62710525 MASQHSXQETYBOA-UHFFFAOYSA-N 284.267 3.043 5 40 CGBB C[C@@H]1CC(CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)C1 96468044 MFTNZGJUHJWDAT-FUNVUKJBSA-N 278.352 3.219 5 40 CGBB Cn1cc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)cn1 83015910 JOFDQBYQOZDJPU-UHFFFAOYSA-N 286.316 3.119 5 40 CGBB Cc1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 6308412 LBGVGYWCXCSXMJ-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB Cc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] 9426496 URPRWDZCVJTYHP-GFCCVEGCSA-N 296.326 3.495 5 40 CGBB COC(=O)c1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 73642107 ZHSPZBWHPNTFJJ-UHFFFAOYSA-N 298.254 3.190 5 40 CGBB Cc1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1 152898 LETMLITVGLLXIH-UHFFFAOYSA-N 275.235 3.262 5 40 CGBB CC(=O)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 5437784 VJACOOWJPBNYNA-UHFFFAOYSA-N 256.261 3.279 5 40 CGBB O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 13283607 ZWZYQZVBPLYOFM-UHFFFAOYSA-N 284.231 3.046 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCCCCC1 3070620 IFHZRKWMHHETDB-FMIVXFBMSA-N 288.347 3.447 5 40 CGBB CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 17790324 LNEABGQVYKBNBJ-UHFFFAOYSA-N 294.694 3.113 5 40 CGBB CC1=C[C@@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C 4064734 UTSXCLQQDIBOGU-CCJAMMFBSA-N 276.444 3.256 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccc(F)cc2)nc1 4747545 RWDLCSKUADLAHL-UHFFFAOYSA-N 264.281 3.421 5 40 CGBB CCCNC(=S)Nc1cc2cccnc2c2cccnc12 6246214 SKGUIISJZHZOOJ-UHFFFAOYSA-N 296.399 3.479 5 40 CGBB Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1 6072158 MMLFSPCXFZSZIT-UHFFFAOYSA-N 253.261 3.242 5 40 CGBB O=Cc1cc(Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 59418626 VIJXSCBFDMGXLB-UHFFFAOYSA-N 291.690 3.357 5 40 CGBB COc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 15932513 GPUJVVFHMLJEGY-UHFFFAOYSA-N 296.286 3.290 5 40 CGBB CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 4126589 NNZITHGHYHQLAI-UHFFFAOYSA-N 298.258 3.077 5 40 CGBB COC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 60324942 BZPPABZFGLJJQF-SOFGYWHQSA-N 273.244 3.041 5 40 CGBB CC(C)c1nnc(NCc2ccc([N+](=O)[O-])cc2Cl)o1 97085388 ZPZCKSPWMJXUOK-UHFFFAOYSA-N 296.714 3.367 5 40 CGBB CC(=O)Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1 1699672 PZSPJGFZVWSMNC-UHFFFAOYSA-N 286.287 3.132 5 40 CGBB Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 7974935 BPOLMKRRBDJRFH-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1noc(C)c1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 24862415 BZBXAWWRPJVZRZ-NSHDSACASA-N 289.335 3.393 5 40 CGBB CCOc1cccc(N(C)Cc2cccnc2)c1[N+](=O)[O-] 97140602 WHFOHLCEPDYGJH-UHFFFAOYSA-N 287.319 3.025 5 40 CGBB O=[N+]([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3156285 PSYPYSPEJVXBQZ-BQYQJAHWSA-N 260.205 3.102 5 40 CGBB C[C@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1 163984 GEBWLJOOGXIBCH-CRAIPNDOSA-N 270.396 3.385 5 40 CGBB O=C(c1ccccc1)[C@H]1N=NC[C@@H]1c1ccc([N+](=O)[O-])cc1 100478009 UZLZXBNRZHPDMM-CABCVRRESA-N 295.298 3.396 5 40 CGBB COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1[N+](=O)[O-] 574854 QBYHTXLVEVYGDE-XYOKQWHBSA-N 296.282 3.096 5 40 CGBB Cc1nn(CC(=O)c2ccc(Cl)s2)c(C)c1[N+](=O)[O-] 3311505 YGAGMKSRCQEASE-UHFFFAOYSA-N 299.739 3.006 5 40 CGBB Cc1ccc(C(=O)c2ccccc2)cc1C[N+](C)(C)C 1574242 XHFBZMWCKMQCSG-UHFFFAOYSA-N 268.380 3.432 5 40 CGBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3CO2)c1 4830669 BMTYRHXRPZSTJQ-AWEZNQCLSA-N 256.261 3.236 5 40 CGBB C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@H]1C 102589327 YNVAQOXIURTABG-SUNKGSAMSA-N 276.336 3.149 5 40 CGBB COc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1 45886414 HXOZCTUBLYBNKN-UHFFFAOYSA-N 270.716 3.247 5 40 CGBB Nc1ccc2cc(Br)ccc2c1[N+](=O)[O-] 139739247 MQNYSLDYJQCSDS-UHFFFAOYSA-N 267.082 3.093 5 40 CGBB in-vitro O=C1c2cc(Cl)ccc2-c2cc([N+](=O)[O-])ccc21 1721141 RUSXMJYWPRYCMU-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB C[N+](C)(CCNCc1ccccc1)Cc1ccccc1 4878798 FGSWNNVWVDEWHP-UHFFFAOYSA-N 269.412 3.053 5 40 CGBB Nc1cc(Br)c2[nH]c(=O)c3ccccc3c2c1 8627888 WHBZFVPPJSIIJL-UHFFFAOYSA-N 289.132 3.026 5 40 CGBB CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 2621467 VIFFSKDGKSFBGK-UHFFFAOYSA-N 292.316 3.307 5 40 CGBB Cc1cc(C)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 5212257 OFAQBOWPLGLGGH-UHFFFAOYSA-N 284.315 3.488 5 40 CGBB CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4600117 NVGMEDPDEMWECF-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB CC(=O)Nc1c([N+](=O)[O-])cc2c3c(cccc13)C=C2 5085996 ROEIKHHWFBDTCL-UHFFFAOYSA-N 254.245 3.190 5 40 CGBB O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 562886 ZCQMPUSKXVSHRC-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB CCOC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 1428638 YPQVJEXYFVCXMD-UHFFFAOYSA-N 297.310 3.135 5 40 CGBB CN1C2=CCC[C@H](CC[N+](C)(C)C)[C@@H]1CCCC2 101042701 OMBLMIDOBXNZNL-ZBFHGGJFSA-N 251.438 3.251 5 40 CGBB Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 3555827 FBXGSXWLZKOXPY-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB Cc1cnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 7800806 LWZUPQBQDSIYTA-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB CN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 8052261 DWDJDILZWIFXAO-UHFFFAOYSA-N 277.711 3.280 5 40 CGBB O=Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 73641996 WQTXOAGKLYQXAW-UHFFFAOYSA-N 268.228 3.216 5 40 CGBB COc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 159288 ULCYZNNAMJNPMX-UHFFFAOYSA-N 255.579 3.276 5 40 CGBB CCN(CC)C(=O)c1cccc2nc3ccccc3nc12 4812302 VXZGOBWBPXAOON-UHFFFAOYSA-N 279.343 3.265 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 8406594 PAYZXRVLYVNQGZ-WFASDCNBSA-N 288.347 3.390 5 40 CGBB O=[N+]([O-])c1ccc(CN[C@H]2CCc3ccccc32)cc1O 69591364 GUZNYMYDQGYXCB-AWEZNQCLSA-N 284.315 3.078 5 40 CGBB COc1cc2c(cc1O)C[N@@+](C)(Cc1ccccc1)CC2 245240242 OWVYOEQQPFZNMY-LJQANCHMSA-O 284.379 3.104 5 40 CGBB O=C1CCCC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800359 WTKHCNWRUMTYFS-VIFPVBQESA-N 253.685 3.475 5 40 CGBB Nc1cc(Sc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 6898919 YXMMHCVIXBKNTR-UHFFFAOYSA-N 291.288 3.236 5 40 CGBB CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 372625 MSDIADYULFGIKU-UHFFFAOYSA-N 250.298 3.278 5 40 CGBB CC[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 206511 NKLPFSZKMVOBNM-YCPHGPKFSA-N 254.438 3.314 5 40 CGBB C[C@@H]1CCCCN1c1cc(Cl)c2nonc2c1[N+](=O)[O-] 5477556 NUBZXFRDCXTUAK-SSDOTTSWSA-N 296.714 3.163 5 40 CGBB O=c1oc2ccccc2c2oc3ccccc3c(=O)c12 897930 RFWULRHBGYKEEZ-UHFFFAOYSA-N 264.236 3.053 5 40 CGBB biogenic,in-vitro CCCCCN(c1ccc([N+](=O)[O-])cn1)C(C)C 79061544 LNECYVHMIOACGG-UHFFFAOYSA-N 251.330 3.395 5 40 CGBB CC(C)C[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] 75110728 DEJXKYNDBURZDU-GFCCVEGCSA-N 263.341 3.395 5 40 CGBB O=C(/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 498114 SEKXXTBNHMMPLQ-RMKNXTFCSA-N 286.262 3.386 5 40 CGBB Cc1cc(SCc2cccc([N+](=O)[O-])c2)nc(C)n1 32782497 PBMTXVHMDCCOSK-UHFFFAOYSA-N 275.333 3.294 5 40 CGBB COc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 2640223 SLSYNSWKFCRCRR-UHFFFAOYSA-N 287.275 3.247 5 40 CGBB O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4115744 LBIVAXWKEDSDHK-UHFFFAOYSA-N 294.654 3.295 5 40 CGBB Cc1ccc(C(C)C)c(Oc2ncc([N+](=O)[O-])c(N)n2)c1 71284412 DVZWSPSSMGXLNJ-UHFFFAOYSA-N 288.307 3.191 5 40 CGBB COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 40169531 ISTHOULNSCLLAA-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB c1ccc(C[N+]23CC[N+](Cc4ccccc4)(CC2)CC3)cc1 1649016 QDBSMKFBIMHREN-UHFFFAOYSA-N 294.442 3.048 5 40 CGBB O=[N+]([O-])c1ccc(OCc2nccs2)c(Cl)c1 82046497 JTWZCMTVRFLATM-UHFFFAOYSA-N 270.697 3.284 5 40 CGBB Cc1c([N+](=O)[O-])cnc2cc(C(F)(F)F)ccc12 256052051 LSQPZRWNRNFYHN-UHFFFAOYSA-N 256.183 3.470 5 40 CGBB Cc1cnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 484777 ZJGTXZUBQNSTEW-AATRIKPKSA-N 289.316 3.012 5 40 CGBB CCOc1cc(C)c([N+](=O)[O-])cc1Br 95628523 OVBXILXQAWFPCM-UHFFFAOYSA-N 260.087 3.064 5 40 CGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC=CCC1 32772655 YCBNMGSERKZSJD-CHWSQXEVSA-N 288.347 3.471 5 40 CGBB NCc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1 95704699 ZPSUTQKXFKEJEO-UHFFFAOYSA-N 278.695 3.499 5 40 CGBB O=[N+]([O-])c1cccc2c(-c3ccnc(Cl)n3)c[nH]c12 642771954 WOKGBMTXPWLSLB-UHFFFAOYSA-N 274.667 3.187 5 40 CGBB CCCCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 14258184 XTRKCQDLIQOZFO-UHFFFAOYSA-N 266.297 3.122 5 40 CGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCCC1 7148548 GQRRQQARVOUMMH-UHFFFAOYSA-N 291.351 3.089 5 40 CGBB O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 161027 CKSVYVHLZNMXLX-UHFFFAOYSA-N 267.240 3.368 5 40 CGBB in-vitro C[C@H](NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 82610045 CUAPCYOMTROGCX-VIFPVBQESA-N 266.297 3.181 5 40 CGBB O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1 4903889 ZZPQUGLIFJZPGU-UHFFFAOYSA-N 258.233 3.037 5 40 CGBB Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 28026883 PCRJLDRNZJNZJN-UHFFFAOYSA-N 296.286 3.032 5 40 CGBB Cc1c(C(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] 5536969 XQLRYJJHIRCWSU-UHFFFAOYSA-N 276.336 3.308 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nccs2)nc1 89794286 BMEYGIJRDGAMBF-LLVKDONJSA-N 290.348 3.178 5 40 CGBB Cc1cc([N+](=O)[O-])c(-c2ccc(CO)o2)cc1Cl 40541573 AKFKUPYRYFBMHN-UHFFFAOYSA-N 267.668 3.309 5 40 CGBB O=C(O[C@@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 95611370 MHCARQORFIQGRY-CQSZACIVSA-N 269.256 3.049 5 40 CGBB CCCCSCC(=O)c1cccc([N+](=O)[O-])c1 16639388 FKDPJLVTLCVQAV-UHFFFAOYSA-N 253.323 3.311 5 40 CGBB CC[N+](C)(CC)CCC[N+]1(C)C[C@H]2CCCC[C@H]2C1 17301649 PZLBVPITADZBAL-JJTKIYQPSA-N 268.489 3.130 5 40 CGBB CNCCc1ccc(O)c2ccc3ccc(OC)c(O)c3c12 1597196 OQCYUWAWZUNIBU-UHFFFAOYSA-N 297.354 3.175 5 40 CGBB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(C)=O)o1 4299138 REAIQYXRHXFAII-UHFFFAOYSA-N 261.233 3.066 5 40 CGBB C[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 4679791 YNVAQOXIURTABG-WDMOLILDSA-N 276.336 3.149 5 40 CGBB Cc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 174984 GLWXFKNNQNFRQB-UHFFFAOYSA-N 288.284 3.133 5 40 CGBB Cc1ccc(C(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 2622580 XZJMMDJQAXRVOE-GFCCVEGCSA-N 287.319 3.160 5 40 CGBB CCCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 32719898 QIUMJBOIOQLZSV-UHFFFAOYSA-N 270.716 3.120 5 40 CGBB COc1ccc(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 199523630 UPVCQXIVXAXONH-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB O=[N+]([O-])c1ccc(Cn2cc(CO)c3ccccc32)cc1 561090 GOYGEBMOLYKBOU-UHFFFAOYSA-N 282.299 3.090 5 40 CGBB CC(C)(C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 100484225 JQPWOBXIQLKLFG-UHFFFAOYSA-N 278.333 3.380 5 40 CGBB Cc1cc(C(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-] 5541161 NULCQLLCHXTELX-UHFFFAOYSA-N 270.288 3.180 5 40 CGBB COc1ccc(C(=O)OCc2cccs2)cc1[N+](=O)[O-] 10410847 JAXUDLDCIDTTKC-UHFFFAOYSA-N 293.300 3.022 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)nc1 20031404 JPZWJLFDYGALIJ-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB Cc1ccoc1C(=O)Nc1cccc([N+](=O)[O-])c1C 25318831 WKPGGMZZBJVHGV-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccccc2)n1 26507781 IAXITTPORFLISE-UHFFFAOYSA-N 266.260 3.047 5 40 CGBB O=[N+]([O-])c1ccn(CCCCOc2cccc(Cl)c2)n1 67799483 XXMONPKXTLSWDQ-UHFFFAOYSA-N 295.726 3.304 5 40 CGBB Nc1c(Cl)cc([N+](=O)[O-])c(Cl)c1Br 45891415 MVNFLMCBNVDZNS-UHFFFAOYSA-N 285.912 3.246 5 40 CGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl 3317220 JLOHEDJSVVGQKI-UHFFFAOYSA-N 292.678 3.000 5 40 CGBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 71817207 AMBVSUIZFSTTQZ-CYBMUJFWSA-N 261.325 3.149 5 40 CGBB CC(C)Cn1c(Cl)nc2cc([N+](=O)[O-])ccc21 256049717 BCMYULIAKDPTGX-UHFFFAOYSA-N 253.689 3.254 5 40 CGBB Cc1ccc(O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 19838928 VUJDORVKKVHOOQ-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB COc1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1 34791835 GLWXGXVYZSUFAG-UHFFFAOYSA-N 273.075 3.458 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Oc1cccc2ccccc12 548460 DWMKFHNGYSTTPN-UHFFFAOYSA-N 269.260 3.274 5 40 CGBB O=[N+]([O-])c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1621387 ZZNLNWYQMOPBAI-UHFFFAOYSA-N 274.232 3.082 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2c(F)ccc(F)c21 1638389 OOPOVJNBUYGUCU-UHFFFAOYSA-N 261.183 3.084 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cccc1F 36774745 BGAHQDBEKLMJRT-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 243446452 NEWBSDNICUEEOF-QWRGUYRKSA-N 277.324 3.390 5 40 CGBB CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(F)cc1 480487 SBIUFAIQRORPGW-UHFFFAOYSA-N 281.312 3.410 5 40 CGBB CC(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 8433955 UFTMEDCBJPMZDG-UHFFFAOYSA-N 284.271 3.050 5 40 CGBB CC1(C)CC(=O)C(Sc2ccc([N+](=O)[O-])cc2)C(=O)C1 102971757 HNHYMJVDIAQCPO-UHFFFAOYSA-N 293.344 3.014 5 40 CGBB O=[N+]([O-])c1ccc(N(Cc2ccc(F)cc2)C2CC2)nc1 13014476 QYOJNMXYUFAIPC-UHFFFAOYSA-N 287.294 3.298 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 17022604 IKHPEAQGRLJROV-GHMZBOCLSA-N 291.351 3.413 5 40 CGBB O=C1C=C/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 499814 FXHXEYQIZFOJAA-PKNBQFBNSA-N 283.239 3.309 5 40 CGBB CSc1cc(=O)n2c3ccccc3c3ccnc1c32 13282985 HCKATCNEEDQXNJ-UHFFFAOYSA-N 266.325 3.161 5 40 CGBB biogenic C[C@H]1C[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] 20064304 RUXYGSMSWHYDEH-RCOVLWMOSA-N 256.099 3.481 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 3548046 WISNDHSOVUJUHG-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=[N+]([O-])c1ccnn1Cc1ccc(Cl)c2cccnc12 48706002 APGNZNAMPADKLO-UHFFFAOYSA-N 288.694 3.041 5 40 CGBB Cc1ccc2c(c1)NC(=O)c1ccc([N+](=O)[O-])cc1O2 15084198 MWYYFYIGUBYPEP-UHFFFAOYSA-N 270.244 3.261 5 40 CGBB C[C@H]1CC(CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)C1 96468050 MFTNZGJUHJWDAT-VXGBXAGGSA-N 278.352 3.219 5 40 CGBB CC(C)(C)OCCNc1cc(N)c([N+](=O)[O-])cc1Cl 45221358 WZSJMDRWBKUSGU-UHFFFAOYSA-N 287.747 3.057 5 40 CGBB Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 60308 XFBYSKPJJRLUTL-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB C[C@@H](C[N+](C)(C)C)OC(=O)C1(c2ccccc2)CCCC1 186601 MTABZUJYGRMFFB-HNNXBMFYSA-N 290.427 3.136 5 40 CGBB Cc1ccc([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])o1 21673817 HSQTWJCCHVBLOV-SNVBAGLBSA-N 286.291 3.317 5 40 CGBB CC(C)(CN(C(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] 1718053 JDWSMOAFOYEGKJ-UHFFFAOYSA-N 298.342 3.389 5 40 CGBB CC(C)C[C@@H](C)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 1727664 RRPNEQZFHPPPDM-HTQZYQBOSA-N 292.590 3.453 5 40 CGBB CCOC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 15443119 IIVYEGMLNKSGBO-UHFFFAOYSA-N 292.335 3.152 5 40 CGBB O=C(Nc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 556408 NFCCNNQMZRDADV-UHFFFAOYSA-N 293.282 3.395 5 40 CGBB C[C@@H]1C[N+](Cc2ccccc2)(Cc2ccccc2)O[C@H]1O 3151201 DNZYVJMPVPIUFD-CRAIPNDOSA-N 284.379 3.103 5 40 CGBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccccc1 102881569 OFQOLACGZVDJDA-DTQAZKPQSA-N 282.255 3.279 5 40 CGBB O=[N+]([O-])c1ccc(/C=C2\COc3ccccc3[C@@H]2O)cc1 4060902 DACYHABIILPYLA-ONOODXEBSA-N 283.283 3.104 5 40 CGBB COc1ccc([N+](=O)[O-])cc1CSCc1cc(C)no1 78555622 PMCMKXOKVWEJPA-UHFFFAOYSA-N 294.332 3.333 5 40 CGBB CN(C)/C=C/c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 96111248 YWNIWODYHDITFJ-ONEGZZNKSA-N 261.108 3.434 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 8568383 AJHDAGZAYQCRMV-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB Cc1cc(Cl)c(I)c([N+](=O)[O-])c1 199738317 NBUQAZOZZHQVDZ-UHFFFAOYSA-N 297.479 3.161 5 40 CGBB CCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 14258317 YVZDXPNTFRGCIU-UHFFFAOYSA-N 256.689 3.295 5 40 CGBB C[C@H]1C[C@H]1c1ccc(Br)cc1[N+](=O)[O-] 20064306 RUXYGSMSWHYDEH-IMTBSYHQSA-N 256.099 3.481 5 40 CGBB NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 7980663 UGHIYGNJTOZTQG-UHFFFAOYSA-N 292.678 3.139 5 40 CGBB C[N+]1([O-])CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 4429833 NOWSSEWFWRADOM-JFEOELNJSA-N 273.376 3.093 5 40 CGBB CCCOc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225284528 HDGLWHAGAADBHO-UHFFFAOYSA-N 281.308 3.379 5 40 CGBB CC(C)n1cc([N+](=O)[O-])c(NCCc2ccccc2)n1 95098515 PLZFBESONWRYSR-UHFFFAOYSA-N 274.324 3.027 5 40 CGBB CC(C)(C)OC(=O)Nc1c([N+](=O)[O-])cnn1C1CCCC1 1548918912 PHOCBAVVFAGTEH-UHFFFAOYSA-N 296.327 3.253 5 40 CGBB O=[N+]([O-])c1cccc(C2OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)c1 100350580 JKNFZNJCPQALQA-UYSYKMHKSA-N 287.315 3.223 5 40 CGBB O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1F 12907571 GAMKBRKVVAWXBP-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=c1[nH]c2ccc([N+](=O)[O-])c(Cl)c2c2ccccc12 8627963 CDVPJXNXZHJRIO-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 15744592 ITLQGFWYHCXSAR-JTQLQIEISA-N 290.344 3.190 5 40 CGBB O=[N+]([O-])c1cc(F)ccc1OC(Cl)(Cl)Cl 95215616 NJOAACQTCGEKIG-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB COC(=O)/C=C/c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 216929210 KPYAHLVGKARFTG-NSCUHMNNSA-N 276.075 3.088 5 40 CGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C 1752990 QUBVTFSYMFBYJT-JTQLQIEISA-N 293.323 3.010 5 40 CGBB CC(C)n1nnnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 8882643 FOEYYUPZAVTKHV-VIFPVBQESA-N 293.352 3.016 5 40 CGBB Cc1ccc(-n2ncc3ccccc32)c([N+](=O)[O-])c1 239562567 CPVYHMRPGVHAMZ-UHFFFAOYSA-N 253.261 3.242 5 40 CGBB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 100329971 DKYTXMDJYMJAGI-KBVBSXBZSA-N 294.738 3.167 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1cncc2ccccc12 45028894 ZSXKLNXWTMEIPP-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB c1ccc(Oc2ccccc2C[N+]23CCN(CC2)CC3)cc1 29221621 WXARAJAOLFGVEL-UHFFFAOYSA-N 295.406 3.125 5 40 CGBB Cc1cn(-c2ccc(F)cc2[N+](=O)[O-])nc1C(F)(F)F 575441590 FVALYZACMBFTFT-UHFFFAOYSA-N 289.188 3.247 5 40 CGBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN 4744652 DWGLFUARQBSJRE-UHFFFAOYSA-N 276.343 3.005 5 40 CGBB CCCNC(=O)Nc1cc2cccnc2c2ncccc12 6324107 NVGLGYHALFSPMY-UHFFFAOYSA-N 280.331 3.315 5 40 CGBB Cc1cccc(C)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 4100043 DMRMQGCQZNLKHA-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB O=[N+]([O-])c1ccc(N[C@@H]2CCN3CCCC[C@H]23)c(Cl)c1 47272565 QZEQERWRTZTGNG-ZIAGYGMSSA-N 295.770 3.287 5 40 CGBB Cc1ccc(C)c([C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 226292775 WQIFSGXZWWDJJL-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB CCc1ccc([C@@H](O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292368 AQPUMNRROBRTLZ-MRXNPFEDSA-N 287.315 3.248 5 40 CGBB CCc1ccc(NC(=O)/C=C/c2ccco2)cc1[N+](=O)[O-] 27318210 YKKMDNZJSMJLEL-BQYQJAHWSA-N 286.287 3.402 5 40 CGBB C[C@@H]1CCCCN1c1c([N+](=O)[O-])c(=O)oc2ccccc12 73635671 XZTQMWYHZAIPHH-SNVBAGLBSA-N 288.303 3.080 5 40 CGBB Cc1cc(I)c(Cl)c([N+](=O)[O-])c1 216842718 JIQINSKEMQAILN-UHFFFAOYSA-N 297.479 3.161 5 40 CGBB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 45886668 FVMMHBYUFKFPLE-UHFFFAOYSA-N 295.295 3.256 5 40 CGBB Cc1ccc(C)c(C(=O)COc2cccc([N+](=O)[O-])c2)c1 6060971 ZOJQTLVLAWDXME-UHFFFAOYSA-N 285.299 3.473 5 40 CGBB O=[N+]([O-])c1ccc(OC2CCCCC2)c([N+](=O)[O-])c1 1600138 YNESGXPIJYXUNG-UHFFFAOYSA-N 266.253 3.215 5 40 CGBB Cc1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc2c1=O 685938279 OISDEDYLTMXCOE-UHFFFAOYSA-N 280.283 3.412 5 40 CGBB CCc1ccc(OC(=O)c2csc(C)n2)c([N+](=O)[O-])c1 78814088 SKAQPJCNDXXQEJ-UHFFFAOYSA-N 292.316 3.141 5 40 CGBB O=c1nc(-c2ccc([N+](=O)[O-])cc2)sc2ccccc12 19142859 APBAFVVKFXDLQN-UHFFFAOYSA-N 284.296 3.232 5 40 CGBB O=C(O)c1ccc2sc3ccccc3c(=O)c2c1 5410953 PPFNJKRRFYQNLD-UHFFFAOYSA-N 256.282 3.113 5 40 CGBB Cc1cc(C(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] 284820 OHQMTGKDBIYVBT-UHFFFAOYSA-N 284.315 3.175 5 40 CGBB O=C(O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 37453536 UTACIEYSOXXOIX-UHFFFAOYSA-N 258.233 3.037 5 40 CGBB CC(=O)c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 8178226 BHZGYALWXKISRD-SNVBAGLBSA-N 262.309 3.176 5 40 CGBB CSc1ccc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 29623378 UCYULTMEGPNWKJ-SECBINFHSA-N 292.364 3.223 5 40 CGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@@H]1C2 3900113 JGBBQPNRTHIWRY-NGZCFLSTSA-N 278.283 3.109 5 40 CGBB Cc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 10109749 CIRZZVWDPORZPY-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 9219374 XPVWEUHZNFZKMT-LLVKDONJSA-N 285.303 3.478 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1OCC[C@@H]1CCCNC1 42771349 VBYRTWASJNITIR-JTQLQIEISA-N 284.743 3.017 5 40 CGBB CCc1c(C(C)C)[nH]c2cccc([N+](=O)[O-])c2c1=O 685938199 LPZKXPUABJWJCH-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB O=C(Cc1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl 2597417 IIYPJWWVKVVKJB-UHFFFAOYSA-N 296.735 3.491 5 40 CGBB Cc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] 163875296 HPHMXOPHTDIMOF-NEPJUHHUSA-N 288.351 3.049 5 40 CGBB O=[N+]([O-])c1ccc2c(CN3CCCCC3)c[nH]c2c1 1852915 CGHIJADMYOVGCZ-UHFFFAOYSA-N 259.309 3.062 5 40 CGBB Cc1ccc2cc3c(cc2c1)C[N+]1(CCOCC1)C3 346430 XGXYNOAQHCYUGR-UHFFFAOYSA-N 254.353 3.009 5 40 CGBB CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 3551739 UZFRYHCMAPZWIY-UHFFFAOYSA-N 270.716 3.167 5 40 CGBB CN(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408921065 CJIRGKVZWWNRIO-FOWTUZBSSA-N 296.326 3.224 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCC(F)(F)F 47841559 OYRSBPWZLVBSIW-UHFFFAOYSA-N 298.604 3.359 5 40 CGBB in-vitro C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 37486770 YVYTYYDJRWDWTO-SECBINFHSA-N 288.263 3.071 5 40 CGBB O=C(Nc1ccccc1)n1ncc2cc([N+](=O)[O-])ccc21 16489745 UFTILBYQKIPRNE-UHFFFAOYSA-N 282.259 3.025 5 40 CGBB CCOC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2392598 SHCZCLVDUFEGFY-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB Cc1noc(C)c1[C@H](C)CNCc1cccc([N+](=O)[O-])c1 95434248 SAKFOHQOERFJRA-SNVBAGLBSA-N 289.335 3.093 5 40 CGBB CC(C)[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 7804017 CZKAXEOPUUHRQH-QMMMGPOBSA-N 270.716 3.023 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)CC(C)C 45888265 ZFOBBVGRVUSETB-UHFFFAOYSA-N 250.298 3.196 5 40 CGBB O=[N+]([O-])/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 106947417 BHMHAFIKEABPGP-FPLPWBNLSA-N 260.205 3.102 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2C=C[C@H]1CC2 104104461 REDHCJABWWWJOG-MJVIPROJSA-N 272.304 3.136 5 40 CGBB O=[N+]([O-])c1ccc([C@H]2NCCCN2Cc2ccccc2)cc1 19320991 JSDHCEQSDXLMIB-KRWDZBQOSA-N 297.358 3.089 5 40 CGBB Cc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 96669512 ZSXAKABVIFBTKU-NTEUORMPSA-N 294.310 3.420 5 40 CGBB CN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 45206849 QFYLQUWGEKCVTJ-UHFFFAOYSA-N 282.303 3.204 5 40 CGBB O=[N+]([O-])c1cccc([C@@H]2[C@H](F)[C@H](F)C[C@H](F)[C@@H]2F)c1 1776010783 JBNUXFZRTIWLHK-ZGIVBDMPSA-N 277.217 3.435 5 40 CGBB C[C@H]1CCC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1C(=O)O 20010721 WIKHCNAMNUVCAR-AOOOYVTPSA-N 278.308 3.060 5 40 CGBB O=C1O[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 3847765 TVJIWJQSYXWXMR-VSGCLNPGSA-N 295.294 3.390 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 105836987 UBCQEAQWETXMQV-REJLFOLJSA-N 288.347 3.149 5 40 CGBB Cc1cccc(C(=O)N2CCCc3ccccc32)c1[N+](=O)[O-] 6207705 JHVMNCDJJAPKRV-UHFFFAOYSA-N 296.326 3.496 5 40 CGBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCC1 41690141 JQBVARXKZLIYPH-ZJPYXAASSA-N 298.491 3.065 5 40 CGBB O=[N+]([O-])c1ccc(C(F)F)c(Br)c1 88190186 RAGJDJANFFTMBY-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB CSc1ccc(C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] 10021214 HCZRFSCQOLRXRQ-JTQLQIEISA-N 294.376 3.331 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2CCCC[C@H]21 1020913 UIFLHGMKOCKTAP-SWLSCSKDSA-N 288.347 3.390 5 40 CGBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccccc1 29750842 SFUIOYBHFYGGEE-UHFFFAOYSA-N 285.299 3.473 5 40 CGBB CCc1cnc(COc2cc(Cl)ccc2[N+](=O)[O-])o1 96428862 WWMPXHQEGVBHBX-UHFFFAOYSA-N 282.683 3.378 5 40 CGBB CCCn1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 97037988 ZQAJWEFOYLUKRV-LLVKDONJSA-N 274.324 3.374 5 40 CGBB CC(=O)c1cc(C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 265332 YEACDJXNMABWJA-UHFFFAOYSA-N 299.282 3.325 5 40 CGBB CC(C)Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 3882693 DMKYPCDXPKUTEI-UHFFFAOYSA-N 281.699 3.497 5 40 CGBB O=Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 73642072 BFOKAIVYBQZINR-UHFFFAOYSA-N 268.228 3.216 5 40 CGBB O=c1[nH]c2cc(Br)ccc2c2ccccc12 17020544 KHCWPDDNXZFUQY-UHFFFAOYSA-N 274.117 3.444 5 40 CGBB COc1cccc(/C=C/c2noc(C)c2[N+](=O)[O-])c1 22144270 BNTMWRRBPVVCIR-VOTSOKGWSA-N 260.249 3.070 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccc3)c2c1 72226536 MJERUQJIAZFMSG-UHFFFAOYSA-N 269.260 3.050 5 40 CGBB O=[N+]([O-])c1ccc(N[C@H]2CCN3CCCC[C@H]23)c(Cl)c1 47272566 QZEQERWRTZTGNG-UONOGXRCSA-N 295.770 3.287 5 40 CGBB Cc1csc(COc2cccc(C)c2[N+](=O)[O-])n1 96484686 WUCVIJQQNRPCIB-UHFFFAOYSA-N 264.306 3.247 5 40 CGBB Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccccc2Cl)n1 75177 VJLQBAFJRXLPBF-ZDUSSCGKSA-N 279.727 3.019 5 40 CGBB N=C(N)S[C@@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21 3954481 FRPGRRFCZNFUPG-CYBMUJFWSA-N 285.328 3.291 5 40 CGBB in-vitro O=C(c1ccccc1)N(Cl)c1ccc([N+](=O)[O-])cc1 4897399 NFZIEOLLPQXFEB-UHFFFAOYSA-N 276.679 3.395 5 40 CGBB CN1c2ccc([N+](=O)[O-])cc2Oc2nc3ccccc3nc21 8716994 ICEISSBVDKNHPZ-UHFFFAOYSA-N 294.270 3.412 5 40 CGBB C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 7750961 WPWIIXYKRKTUGA-MXMFLMJRSA-N 286.287 3.078 5 40 CGBB COc1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 13014473 BEHMALQDYUEBFT-UHFFFAOYSA-N 299.330 3.167 5 40 CGBB COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 72193629 FWCSPNCUJASWQH-VMPITWQZSA-N 287.271 3.349 5 40 CGBB Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 8571054 SBLIBFWPECDFLR-DHZHZOJOSA-N 296.326 3.233 5 40 CGBB Nc1cc(NC2CCCC2)c(Cl)cc1[N+](=O)[O-] 45221354 LZEGTGMUNBSIQF-UHFFFAOYSA-N 255.705 3.185 5 40 CGBB COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 60240 IINFCHQXMQXCRX-IZZDOVSWSA-N 298.298 3.255 5 40 CGBB biogenic CCc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 62710505 OHIFMXVUIZHUQV-UHFFFAOYSA-N 268.268 3.207 5 40 CGBB CC(=O)O[C@H]1[C@@H]2CCC[C@@H]1[C@@H]([N+]1(C)CCCCC1)CC2 217352537 KWKSYISARSAIJR-NCOADZHNSA-N 280.432 3.127 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c2nonc12 168608 ZJIWLIYXWOPEDX-UHFFFAOYSA-N 291.263 3.421 5 40 CGBB Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 559903 VXJMYOPNDKZKBA-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=C(Nc1cccc2cnccc12)c1cccc([N+](=O)[O-])c1 7655217 WURXLEXOIKXPNQ-UHFFFAOYSA-N 293.282 3.395 5 40 CGBB C[C@H]1C[C@@H](C)C[C@H](CCn2ccc(=O)c([N+](=O)[O-])c2)C1 252581791 MFTNZGJUHJWDAT-ITGUQSILSA-N 278.352 3.219 5 40 CGBB CC(=O)O[C@H]1[C@H]2CCC[C@@H]1[C@H]([N+]1(C)CCCCC1)CC2 5003805 KWKSYISARSAIJR-HZMVEIRTSA-N 280.432 3.127 5 40 CGBB COc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1O 33960 TYDSNGCBRXYKPA-INIZCTEOSA-N 299.282 3.152 5 40 CGBB O=[N+]([O-])c1cc2c(cc1Cl)OC(F)(F)C(F)(F)O2 95890222 KLDBRLFSXANELD-UHFFFAOYSA-N 287.552 3.205 5 40 CGBB Cc1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 505459 MXPMXEAXBUBXPB-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 1869733 QPUOWBJQCAKKAC-UHFFFAOYSA-N 262.221 3.055 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 58015014 IROZTJFPECGGGS-UHFFFAOYSA-N 267.306 3.328 5 40 CGBB in-vitro Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1 2562026 GIOQMXVYAGBYKZ-UHFFFAOYSA-N 296.326 3.496 5 40 CGBB O=[N+]([O-])c1ccc2nc(COc3ccccc3)[nH]c2c1 16902431 CPQHLIYQDGAJLC-UHFFFAOYSA-N 269.260 3.050 5 40 CGBB Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1N 216926148 SUZRNQHNDZNNAL-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(C)C 48264877 XLJCWVXFJBFDHZ-GFCCVEGCSA-N 264.325 3.068 5 40 CGBB CC(=O)Nc1cc(Cl)cc2c1[nH]c(=O)c1ccccc12 16951721 LCSIDLCXWUKMSG-UHFFFAOYSA-N 286.718 3.293 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)c(CO)cn2Cc1ccccc1 83094 QRVGJGIVPYSMBO-UHFFFAOYSA-N 282.299 3.090 5 40 CGBB Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] 2779518 VIZRYVSGCXTWIK-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccoc1 16236494 WHYLSJHDKXUXQA-SNVBAGLBSA-N 274.276 3.021 5 40 CGBB Cc1cc(C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 5679566 AEAMSQHGLXAGFN-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 376973 VATBFJSGHPZRDB-UHFFFAOYSA-N 277.663 3.467 5 40 CGBB CCC[C@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 6324956 VELRLYZWLHYFGW-NSHDSACASA-N 296.392 3.133 5 40 CGBB O=C(Nc1cc2cccnc2c2ncccc12)NC1CC1 6423061 DGMWDHXCGBDDTA-UHFFFAOYSA-N 278.315 3.067 5 40 CGBB O=[N+]([O-])c1ccc(C(=S)NCCc2ccccc2)cc1 9188117 HBXGHRCPZYKDAS-UHFFFAOYSA-N 286.356 3.103 5 40 CGBB Cc1cc(C)cc(COc2ccc(C)nc2[N+](=O)[O-])c1 13107550 OLUBEPXJQDDIPH-UHFFFAOYSA-N 272.304 3.494 5 40 CGBB CC(C)NC(=O)Nc1cc2ccncc2c2ncccc12 408975254 LIJKHHUEMCURAB-UHFFFAOYSA-N 280.331 3.313 5 40 CGBB CC(C)[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 80789660 LMDIMJNVSHDAQT-SNVBAGLBSA-N 292.257 3.042 5 40 CGBB CCOC(=O)/C=C/c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 216929237 DQDSKPHONNCABL-ONEGZZNKSA-N 290.102 3.478 5 40 CGBB CC(C)c1c(C2CC2)[nH]c2ccc([N+](=O)[O-])cc2c1=O 685938496 VRXFRUFOPDXDCK-UHFFFAOYSA-N 272.304 3.437 5 40 CGBB Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH]1 10895952 DQOUPZIYYHVXLC-UHFFFAOYSA-N 296.286 3.032 5 40 CGBB CSc1ccc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 29623380 UCYULTMEGPNWKJ-VIFPVBQESA-N 292.364 3.223 5 40 CGBB O=[N+]([O-])c1ccccc1Oc1ncnc2sccc12 7779615 OLGYNTMOXQYEDE-UHFFFAOYSA-N 273.273 3.392 5 40 CGBB CCOc1ccc2c(c1)nc1ccccc1[n+]2CC 5700980 OOPLQPTVSOFYQV-UHFFFAOYSA-N 253.325 3.094 5 40 CGBB Cc1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 26690739 BCWXDTDJBORHOU-UHFFFAOYSA-N 286.291 3.060 5 40 CGBB C/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 4499388 XETVRORNRRMXLF-NSCUHMNNSA-N 275.091 3.416 5 40 CGBB CCCNc1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] 4126556 KQJZKEGXWMFEER-UHFFFAOYSA-N 263.219 3.018 5 40 CGBB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-] 43879353 DHPJGNQYQNOIGF-GHMZBOCLSA-N 291.303 3.059 5 40 CGBB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccc([N+](=O)[O-])cc1 43879497 OUMGDKNJBOQXND-CMPLNLGQSA-N 291.303 3.059 5 40 CGBB CC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 5481309 DZVMNHBAJBTQOO-UHFFFAOYSA-N 271.272 3.376 5 40 CGBB Cc1c(C(=O)N2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] 5532729 MHPFATJYHJRMDZ-GHMZBOCLSA-N 276.336 3.306 5 40 CGBB O=[N+]([O-])c1cccc(Oc2cccc([N+](=O)[O-])c2)c1 20095926 QYBOKWQLGVZMHF-UHFFFAOYSA-N 260.205 3.295 5 40 CGBB O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccc([N+](=O)[O-])cc1 1744916 JJXUABQDTODGDH-IAGOWNOFSA-N 295.294 3.234 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1COC1CCCCC1 72209191 GBJHFWYYNDLSQY-UHFFFAOYSA-N 279.292 3.142 5 40 CGBB Cc1cccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 40152095 UFOQUOYDRKSNIA-UHFFFAOYSA-N 297.358 3.230 5 40 CGBB CC(C)(C)OC(=O)n1nc(Cl)c2ccc([N+](=O)[O-])cc21 89195758 GDLPSTZFEFRBQA-UHFFFAOYSA-N 297.698 3.381 5 40 CGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1cnccn1 193504907 XIFQCAVJNWLSKT-MRVPVSSYSA-N 279.296 3.377 5 40 CGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 95470994 MTVWWMIORQQUNY-SNVBAGLBSA-N 286.287 3.043 5 40 CGBB CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 35307614 POOGLDVCZKPSHJ-UHFFFAOYSA-N 286.287 3.115 5 40 CGBB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1ccccc1 2508487 WLSCINFGJHRCIU-UHFFFAOYSA-N 294.314 3.338 5 40 CGBB COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccs1 71802257 CCXKVJLSSYGQPD-UHFFFAOYSA-N 293.300 3.022 5 40 CGBB COc1ccc(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 199523646 NRKRNJKXXGZZQE-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 96007789 NTQROFIZTWSIQJ-LLVKDONJSA-N 298.770 3.107 5 40 CGBB O=C1O/C(=C\Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 100479613 WLDWUVWFUYZBFP-ZROIWOOFSA-N 282.255 3.176 5 40 CGBB CC(C)n1nc(O)c2cc3oc4cc(O)ccc4c3nc21 79493313 ABLPIBNXMVLYGX-UHFFFAOYSA-N 283.287 3.323 5 40 CGBB CSc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 3547948 DZRLERHNGLPUCU-UHFFFAOYSA-N 299.402 3.461 5 40 CGBB CCCOc1cc(Cl)c(C(=O)OCC)cc1[N+](=O)[O-] 225726381 ISTJURLCBZQQJJ-UHFFFAOYSA-N 287.699 3.214 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)nc(S)n2-c1ccccc1 13140518 AIHFDVZZSAZCQP-UHFFFAOYSA-N 271.301 3.222 5 40 CGBB COc1ccc2c(Cl)c([N+](=O)[O-])c(Cl)nc2c1 95098240 HVGNTBNHXHJBNB-UHFFFAOYSA-N 273.075 3.458 5 40 CGBB O=[N+]([O-])c1c(Br)cccc1OCC(F)F 169800478 UHAFRTAQEOJBIQ-UHFFFAOYSA-N 282.040 3.001 5 40 CGBB O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1 186892 JUOVJSFJOBRSEL-UHFFFAOYSA-N 288.156 3.339 5 40 CGBB Cc1c(C(=O)N2CCCc3ccccc32)cccc1[N+](=O)[O-] 63733 GLDYMBRFMSTORH-UHFFFAOYSA-N 296.326 3.496 5 40 CGBB CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 1599518 IFYJJQOERYQZBL-UHFFFAOYSA-N 278.352 3.349 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1OCCC1CCNCC1 42771345 GRKUKKZKUHZAPD-UHFFFAOYSA-N 284.743 3.017 5 40 CGBB O=C(Nc1ccccc1O)c1ccc(Cl)cc1[N+](=O)[O-] 23054869 KKQKRPREQKRZAP-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB Cc1cc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)no1 27880236 SAHDTBDSVUKSIV-HNNXBMFYSA-N 287.319 3.228 5 40 CGBB Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 22531023 SAYXLGUEXDSMMF-LBPRGKRZSA-N 284.315 3.394 5 40 CGBB Cc1ccc(NC(=O)C2[C@H]3CCCC[C@@H]23)cc1[N+](=O)[O-] 18168342 BYZAYPJHKXBYHG-ONXXMXGDSA-N 274.320 3.278 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 35414885 ZMUVJSNUFIEGAJ-UHFFFAOYSA-N 291.234 3.011 5 40 CGBB O=C(O)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 73642017 UBNDVKPOHBJDHB-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB COc1ccc(NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 14258182 BNQZNEZTXNYBFS-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 311666 CBEKKDJKXUXLEX-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC=CCC1 32772652 YCBNMGSERKZSJD-OLZOCXBDSA-N 288.347 3.471 5 40 CGBB CCN(CC)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 292368 YCXCYHOPLQQGAJ-UHFFFAOYSA-N 288.303 3.337 5 40 CGBB COC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 226257567 NGIIQQIYCORCJI-VQHVLOKHSA-N 287.271 3.349 5 40 CGBB O=C(Nc1cccc(O)c1)c1coc2ccc([N+](=O)[O-])cc12 197794742 URVCCLLCCQDFID-UHFFFAOYSA-N 298.254 3.299 5 40 CGBB Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 5675092 AWDZWHVBUBMKIK-UHFFFAOYSA-N 284.315 3.175 5 40 CGBB CC[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)N(CC)CC 6411886 OCHQTXYAWJPADO-ZDUSSCGKSA-N 278.352 3.288 5 40 CGBB CCCCn1c(=S)[nH]c2cc([N+](=O)[O-])ccc21 196547190 RVVYPJLYDCYXIS-UHFFFAOYSA-N 251.311 3.407 5 40 CGBB CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1 95414963 AUAPWTXMCHRASI-GFCCVEGCSA-N 289.339 3.078 5 40 CGBB C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 41155787 ODQFLPQZYKYSNG-LLVKDONJSA-N 298.298 3.023 5 40 CGBB CC[C@H](C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 6723960 ILYQSMOKBANPJV-QMMMGPOBSA-N 278.333 3.380 5 40 CGBB C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 13984803 MFZYEVTXAKPULE-JTQLQIEISA-N 288.278 3.225 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCCC1 3070618 VLHBYLJHMVGTMJ-ZHACJKMWSA-N 288.347 3.447 5 40 CGBB Cc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 26507830 FVURBCJTAGWHNX-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB Cc1ccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)o1 3407607 KNROVNLOHCVEPZ-BQYQJAHWSA-N 287.271 3.253 5 40 CGBB Cc1ccc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 5682062 SSUNTGCIGURFFK-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB O=C(Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1F 71803698 ZTZJDQCQYFBGKR-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 95436578 QNXBTTISXUFVKX-UHFFFAOYSA-N 295.298 3.353 5 40 CGBB COCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 102419415 OPHYGSISRJBWHM-UHFFFAOYSA-N 292.360 3.059 5 40 CGBB C[N+]1(C)[C@H]2CCC[C@@H]1CC(OC(=O)c1ccccc1)C2 485495 YTYIVMLMRFPEDG-XYPWUTKMSA-N 274.384 3.003 5 40 CGBB O=[N+]([O-])C1CCC(C2=CS[C@@H]3CCCC[C@H]3N2)CC1 1735532 OPNMOFNWYVWOHA-UAKHECDHSA-N 282.409 3.311 5 40 CGBB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 3155874 HRUKZMGTKSXMHJ-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 6507544 BKXRSVUVYVKKAN-UHFFFAOYSA-N 290.300 3.111 5 40 CGBB O=[N+]([O-])c1ccc(Cl)cc1/C=C/c1ccncn1 157354074 SLMDGYZBNNPQLO-HNQUOIGGSA-N 261.668 3.209 5 40 CGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 24946472 SMEVWLUJEZEQCW-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB Nc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 39213752 LJISPJGDNVFQQO-UHFFFAOYSA-N 292.298 3.301 5 40 CGBB Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 40169539 WLBQXYRSQLLVQA-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 20490287 NZHUJOXDFCLAOL-UHFFFAOYSA-N 282.727 3.263 5 40 CGBB CCOc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] 131442 UAUOXVKCEUAWFR-UHFFFAOYSA-N 287.271 3.213 5 40 CGBB C[C@@H](N)[C@H](O)c1ccc2ccc3ccccc3c2c1 1595048 VDGUOULOJFVJCZ-DIFFPNOSSA-N 251.329 3.374 5 40 CGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 216767549 KZKJLMJWFPHEIL-QWRGUYRKSA-N 264.325 3.086 5 40 CGBB CCc1[nH]c2cccc([N+](=O)[O-])c2c(=O)c1C(C)C 685938200 LQCKVJNOXJOQKO-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB CC(C)Oc1ccc([N+](=O)[O-])c(Br)c1 95635103 DYABZSCHQLKCLT-UHFFFAOYSA-N 260.087 3.145 5 40 CGBB in-vitro CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 2774120 QJGVPFAVUSMUJU-UHFFFAOYSA-N 266.297 3.122 5 40 CGBB O=[N+]([O-])c1ccccc1Cn1cnc2cc(F)c(F)cc21 24425755 WPLOLFNWPULWGN-UHFFFAOYSA-N 289.241 3.271 5 40 CGBB CCCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 7781205 YLKDIBMSPSTOJG-VIFPVBQESA-N 270.354 3.355 5 40 CGBB CCC(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl 45891847 KYLRAQDEBGEJKN-UHFFFAOYSA-N 297.742 3.197 5 40 CGBB CCOC(=O)c1cc2ccc3ccccc3c2oc1=O 313950 XIKGCKFVQRKFBP-UHFFFAOYSA-N 268.268 3.123 5 40 CGBB CCN(Cc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] 89969315 UPDCPWDBUJRPBO-UHFFFAOYSA-N 289.310 3.151 5 40 CGBB O=[N+]([O-])c1ccc(OCCC2CCNCC2)c(Cl)c1 42774223 WHDYJQIYFTUKSY-UHFFFAOYSA-N 284.743 3.017 5 40 CGBB CC(=O)Nc1c(C)cc(C(C)(C)C)c([N+](=O)[O-])c1C 345652 LSQABBJARYIYBX-UHFFFAOYSA-N 264.325 3.468 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(NNc2ccccn2)c1 6258257 SAVAZLXMFIRKDF-UHFFFAOYSA-N 264.672 3.082 5 40 CGBB O=[N+]([O-])c1ccc(C2OCC3(CO2)C[C@H]2C=C[C@H]3C2)cc1 100350531 VHKIISPXBQUUJF-OXELBQPXSA-N 287.315 3.223 5 40 CGBB O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccccc2o1 8313621 QNUWCHZYPXCLAU-UHFFFAOYSA-N 288.234 3.454 5 40 CGBB CCOc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226292006 HJPWSAGIOGCESV-INIZCTEOSA-N 287.315 3.384 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(F)cc1 4078822 JRFHMMGCNXEXNQ-FNORWQNLSA-N 292.291 3.447 5 40 CGBB O=[N+]([O-])c1ccc(-c2nnc(-c3cccs3)o2)cc1 187421 DHVSQLICXHFNHX-UHFFFAOYSA-N 273.273 3.373 5 40 CGBB CCOC(=O)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1704166 SJHIRUANUBZSJK-UHFFFAOYSA-N 283.283 3.343 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)cc2nc3ccccn3c12 1427147 FGTAQKACKWEUME-UHFFFAOYSA-N 281.193 3.415 5 40 CGBB COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 12617857 MPGGMNDETZJFDL-SNVBAGLBSA-N 273.292 3.172 5 40 CGBB CC(C)CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1599894 LTRILQVJNRNSDS-UHFFFAOYSA-N 296.279 3.096 5 40 CGBB CC(=O)O[C@H]1[C@@H]2CCC[C@@H]1[C@H]([N+]1(C)CCCCC1)CC2 100740919 KWKSYISARSAIJR-VQHPVUNQSA-N 280.432 3.127 5 40 CGBB CCO[C@H]1c2c(C)ccc([N+](=O)[O-])c2OC1(C)C 4105220 KEXBZZJRTCEAQU-LBPRGKRZSA-N 251.282 3.152 5 40 CGBB CCn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1 91365999 FVDDHDMMSRVABH-UHFFFAOYSA-N 296.124 3.241 5 40 CGBB CC1CCN(c2c([N+](=O)[O-])cc(Cl)cc2[N+](=O)[O-])CC1 45886573 YXAQYMQBJWIXTN-UHFFFAOYSA-N 299.714 3.393 5 40 CGBB N=C(N)S[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 6582884 ZCUZLFRPAKXHOZ-ZDUSSCGKSA-N 285.328 3.291 5 40 CGBB Cc1cc(N[C@H](C)CCCO)c2cc([N+](=O)[O-])ccc2n1 96008511 ZFPKRQMIFJXEEX-SNVBAGLBSA-N 289.335 3.024 5 40 CGBB O=c1[nH]c2ccccc2c2ccc(Br)cc12 17020546 PRZKTRKRIPLYEK-UHFFFAOYSA-N 274.117 3.444 5 40 CGBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccs1)C1CC1 30303900 YYBYZYBRVPJFDZ-UHFFFAOYSA-N 292.316 3.054 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 29233038 PBOAQFPAOIJCGO-UHFFFAOYSA-N 298.298 3.076 5 40 CGBB O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2)cc1 72293903 CTFZGGYMFADOQD-OAHLLOKOSA-N 272.304 3.130 5 40 CGBB O=[N+]([O-])c1cc(I)cc2ccccc12 71256894 IIYXVQAXBHZJAX-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 5711788 QEMVLGNOTAXWHG-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB COC(=O)c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 70461249 BZGDSKRBPQYKPO-UHFFFAOYSA-N 275.260 3.258 5 40 CGBB c1ccc(-c2cn3nc4c(nc3n2)[nH]c2ccccc24)cc1 37305 IYMCKIOPEBRFAL-UHFFFAOYSA-N 285.310 3.426 5 40 CGBB CC(C)OCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 88736731 USMJLNJXYPBWPY-ZDUSSCGKSA-N 293.367 3.164 5 40 CGBB CC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 246076 LATCYUKIEIGCCK-UHFFFAOYSA-N 285.303 3.165 5 40 CGBB Cc1noc(C)c1Sc1ccccc1[N+](=O)[O-] 103146 IRTFFPDHOBUUBF-UHFFFAOYSA-N 250.279 3.351 5 40 CGBB O=[N+]([O-])c1c(O)cc(C(F)(F)F)cc1Br 169801777 GGUFNPLROBJXGV-UHFFFAOYSA-N 286.003 3.082 5 40 CGBB O=[N+]([O-])c1cccc(Cn2cc(CO)c3ccccc32)c1 8701657 FZTWDQXBIVQXOK-UHFFFAOYSA-N 282.299 3.090 5 40 CGBB COc1ccc(CN(C)c2ccccc2[N+](=O)[O-])cc1F 24585456 GJNKFRNWCZNWJI-UHFFFAOYSA-N 290.294 3.379 5 40 CGBB O=C(Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 12767973 TUWVOEAXXFGCJZ-UHFFFAOYSA-N 295.298 3.257 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 4948540 GCNZKHJCESWJHX-OLZOCXBDSA-N 282.299 3.337 5 40 CGBB NC(=O)c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 5935308 GCMFQYHDWMHKQX-UHFFFAOYSA-N 291.694 3.091 5 40 CGBB Cc1c(F)c(Br)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1610393 DMJSCTASERIQOR-UHFFFAOYSA-N 293.048 3.021 5 40 CGBB O=[N+]([O-])c1cc([C@H]2CO2)ccc1OCc1ccccc1 21992554 MOGUBMMGIJLRHQ-OAHLLOKOSA-N 271.272 3.245 5 40 CGBB in-vitro Cc1nc(N[C@@H](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] 96472190 OHHLBMPDNXQEHD-CMPLNLGQSA-N 279.340 3.058 5 40 CGBB O=[N+]([O-])c1ccc(OCC(Cl)(Cl)Cl)cc1 1083811842 XEMXNTOQDRHPBD-UHFFFAOYSA-N 270.499 3.344 5 40 CGBB O=C(NC1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 17122515 LXTJTBKCCMYMDC-UHFFFAOYSA-N 297.314 3.231 5 40 CGBB Cc1ccc(NC(=O)NCc2ccccc2)cc1[N+](=O)[O-] 36392613 OEGQWLYPFISXRK-UHFFFAOYSA-N 285.303 3.225 5 40 CGBB CN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1 12750207 GHNSPXBWAZTJOU-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB O=[N+]([O-])c1cccc(-c2csc(NC3CC3)n2)c1 7274399 LIBAABWXCSWTFE-UHFFFAOYSA-N 261.306 3.293 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 305107 JTAMJUIJFCJJAW-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB O=c1c(Cl)c(C(F)(F)F)oc2ccc([N+](=O)[O-])cc12 112306 DYEGRZKBJMKSKD-UHFFFAOYSA-N 293.584 3.373 5 40 CGBB CNC(=S)Nc1ccc2cc3ccccc3nc2c1 409189663 MLXMTGGPMUTBTK-UHFFFAOYSA-N 267.357 3.304 5 40 CGBB C[C@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 76061012 QLEPDXUDPMKCLX-QWHCGFSZSA-N 284.743 3.211 5 40 CGBB O=[N+]([O-])c1ccc(Cl)nc1NCc1ccccc1 36925903 HXZJLZMUMNFWRG-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c3c(oc2c1)CCCC3 12846580 VOHZMDCBWTWNLT-UHFFFAOYSA-N 262.221 3.128 5 40 CGBB Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC1 4565423 OWRYIKXGPKEHDR-UHFFFAOYSA-N 271.660 3.039 5 40 CGBB Cc1cc([N+](=O)[O-])c(Br)cc1Cl 47818700 VPNLTRMMZMKDIL-UHFFFAOYSA-N 250.479 3.319 5 40 CGBB COc1ccc(CNc2ccnc(Cl)c2[N+](=O)[O-])cc1 91302091 USGSNJLNFYSCNL-UHFFFAOYSA-N 293.710 3.264 5 40 CGBB C[C@H](CC(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 4696153 NRMXUVXZYCBQRM-SECBINFHSA-N 291.332 3.184 5 40 CGBB O=c1c2ccccc2c2nccc3c4cc(O)ccc4n1c32 6624596 ULANNPMYNRXRCC-UHFFFAOYSA-N 286.290 3.298 5 40 CGBB biogenic Cc1nc(NC(=O)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] 89536958 AKFAHWFFTSCCOU-QMMMGPOBSA-N 291.332 3.102 5 40 CGBB O=[N+]([O-])c1ccc(CSC(=S)N2CCCC2)cc1 5768538 AVQBOJSUHXMWHZ-UHFFFAOYSA-N 282.390 3.209 5 40 CGBB CC(=O)Nc1c(Cl)cc([N+](=O)[O-])c2ccccc12 4127883 WOIBWFJTHUPFDP-UHFFFAOYSA-N 264.668 3.360 5 40 CGBB C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 12558200 IQZXXMZJDSNAEN-LLVKDONJSA-N 271.320 3.379 5 40 CGBB O=C(NC1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1O 57294245 PNYKJLYTRNDCCF-UHFFFAOYSA-N 298.726 3.016 5 40 CGBB O=C(Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 5676858 SPFHDPDPRPIQIM-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB Cc1cc(CSCCOc2ccc([N+](=O)[O-])cc2)on1 69813540 MSZAIWQROOLVKT-UHFFFAOYSA-N 294.332 3.203 5 40 CGBB CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)s1 79021841 RAMJSXSMKZEVFO-MRVPVSSYSA-N 278.337 3.182 5 40 CGBB CCC(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 4079325 TXPLSTSXEUOSGO-UHFFFAOYSA-N 283.334 3.128 5 40 CGBB CNc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] 12522574 XLRDHAVPRYIAQR-UHFFFAOYSA-N 287.323 3.294 5 40 CGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 22595009 GAPHCKPJFQNGOW-JTQLQIEISA-N 294.376 3.134 5 40 CGBB O=C(O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 104068125 PICSIGUMFUARDG-PJGLDBICSA-N 299.326 3.352 5 40 CGBB CC(C)c1nccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 96001664 UEKIMMPPQAYLPV-UHFFFAOYSA-N 286.291 3.104 5 40 CGBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(C)CC1 45886606 NBTAFPNYZQZCJC-UHFFFAOYSA-N 279.296 3.048 5 40 CGBB Cc1nn(C)c(N2CCC[C@H]2CC(C)(C)C)c1[N+](=O)[O-] 78727493 AEVBXMVTJXSPGN-NSHDSACASA-N 280.372 3.042 5 40 CGBB C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[N+](=O)[O-] 4596821 UFBXKOCYJMQXEY-VQHVLOKHSA-N 274.232 3.492 5 40 CGBB O=[N+]([O-])c1c(OCc2ccccc2)ccnc1Cl 710633409 XAXDHHDENDAFJE-UHFFFAOYSA-N 264.668 3.222 5 40 CGBB O=C(O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 133959 SUOKPGGNWNCXQT-UHFFFAOYSA-N 275.285 3.444 5 40 CGBB Nc1ccccc1Sc1ccc(F)cc1[N+](=O)[O-] 1595365 UQWUSLRRVOVDDY-UHFFFAOYSA-N 264.281 3.467 5 40 CGBB Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)c(C)s1 6879362 CROFTUUMHIZPBP-UHFFFAOYSA-N 277.301 3.492 5 40 CGBB O=[N+]([O-])c1cnccc1NCCCc1ccccc1 37719639 CECYQQDHXWLUEV-UHFFFAOYSA-N 257.293 3.035 5 40 CGBB Nc1cc(Br)cc2c1[nH]c(=O)c1ccccc12 16951705 GFDICJSCQGZLKS-UHFFFAOYSA-N 289.132 3.026 5 40 CGBB COc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 18176748 JKMKYUUDXLRYIW-UHFFFAOYSA-N 287.275 3.247 5 40 CGBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 5210685 YSRIXDTZVKGYKM-UHFFFAOYSA-N 258.277 3.216 5 40 CGBB Cc1c(NC(=O)C(C)(C)C)ccc([N+](=O)[O-])c1C 16697702 BWGAUXFPFOFRKH-UHFFFAOYSA-N 250.298 3.196 5 40 CGBB O=C(O)c1cc2cc3ccccc3cc2ccc1=O 3847107 MSEMYVAJANESFP-UHFFFAOYSA-N 250.253 3.051 5 40 CGBB biogenic CCCN(CCC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 71624593 WDAJSILZCVZHRZ-LBPRGKRZSA-N 278.352 3.347 5 40 CGBB CCCNCCOc1cccc2nc3ccccc3nc12 85390834 OCKKOBGBQPSYTD-UHFFFAOYSA-N 281.359 3.161 5 40 CGBB O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccccc1 1666555 YLWQPIVSPODKCB-RAXLEYEMSA-N 269.256 3.220 5 40 CGBB COc1ccc([N+](=O)[O-])cc1OCc1ccccc1 33822431 MYKBXOQHDQLNGL-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB CCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21 5636429 NSQNYRATCCZVAX-UHFFFAOYSA-N 291.310 3.456 5 40 CGBB Cc1nc(-c2cccc(Oc3ncccc3[N+](=O)[O-])c2)no1 32913362 OQLGWILFFRXGPW-UHFFFAOYSA-N 298.258 3.141 5 40 CGBB CCCC[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2 1833733 VBOCSQAMZGTLAV-URSIVYNOSA-N 288.411 3.253 5 40 CGBB O=C(O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 19806403 RSACONFHXJUVSZ-UHFFFAOYSA-N 275.285 3.444 5 40 CGBB C[C@H]1CCCCN1c1cc(N)c(Cl)cc1[N+](=O)[O-] 45891164 PSINEPAIUQPMJD-QMMMGPOBSA-N 269.732 3.209 5 40 CGBB COC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 226257611 OTIJBGUMLVEJSC-VMPITWQZSA-N 287.271 3.349 5 40 CGBB O=[N+]([O-])c1ccc(CN2CCc3ccccc32)cc1 8308263 XICWXVHVAONPEV-UHFFFAOYSA-N 254.289 3.158 5 40 CGBB O=[N+]([O-])c1ccc(Br)c(Cl)c1F 307538898 WZNRZCUIFMKTCC-UHFFFAOYSA-N 254.442 3.150 5 40 CGBB CCC(CC)CN(CC)c1ccc([N+](=O)[O-])cn1 84727470 UKESFKXGKDOTNR-UHFFFAOYSA-N 251.330 3.252 5 40 CGBB O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl 231391 VSZKAVZUSSOPJU-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB COc1cc2c(=O)n3c4c(cccc4c2cc1OC)CCC3 1561331 DPDRCOHTODECTH-UHFFFAOYSA-N 295.338 3.118 5 40 CGBB O=C(O)c1cc(-c2ccco2)nc2ccc([N+](=O)[O-])cc12 19261961 WKAYTYCZLBGCTH-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])s1 4076708 BOPKXLLUZSPQTQ-UHFFFAOYSA-N 266.253 3.048 5 40 CGBB Nc1cc(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 3887714 RBMIDRFAHQDIRK-UHFFFAOYSA-N 280.287 3.030 5 40 CGBB COc1cc(/C=C\c2ccccn2)c([N+](=O)[O-])cc1OC 33900673 MTHVXOKFZSUGCS-SREVYHEPSA-N 286.287 3.177 5 40 CGBB Cc1c(Cl)ccc([N+](=O)[O-])c1Br 39348289 NWGIVSFDNQDZOV-UHFFFAOYSA-N 250.479 3.319 5 40 CGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1cnccn1 193504895 XIFQCAVJNWLSKT-QMMMGPOBSA-N 279.296 3.377 5 40 CGBB O=C(Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] 304650 VKWOVAJIGQGXAZ-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB CCOC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 1686217 OFCXJCVAOWRTOY-UHFFFAOYSA-N 271.272 3.023 5 40 CGBB Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 6376104 LLNFXCDOUHVUCO-UHFFFAOYSA-N 284.315 3.175 5 40 CGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1C 47546946 XLRSWXYXYVLVCX-UHFFFAOYSA-N 288.303 3.159 5 40 CGBB COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 22798953 LHGJLOXCJSZTPI-CMPLNLGQSA-N 292.335 3.372 5 40 CGBB COc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1 5879910 WWDOOXDLVFPDNB-VOTSOKGWSA-N 290.231 3.111 5 40 CGBB O=[N+]([O-])[C@H]1CCC[C@@H](C2=CS[C@H]3CCCC[C@@H]3N2)C1 5328191 GESRXNOUXNOQGC-UHXUPSOCSA-N 282.409 3.311 5 40 CGBB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1Cl 4514634 KXDOSJYWKWOEIS-RWEMILLDSA-N 294.738 3.167 5 40 CGBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1 3317445 SCXAUDOXQHFBOC-UHFFFAOYSA-N 296.329 3.209 5 40 CGBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 30758533 QWIQWIKONSDYRB-LBPRGKRZSA-N 284.315 3.394 5 40 CGBB CCc1c(C(C)C)[nH]c2c([N+](=O)[O-])cccc2c1=O 685937927 BFPLPUHPKJUZTO-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2ccco2)nc1 95397843 CTBOYEMYXJZDKZ-LBPRGKRZSA-N 273.292 3.314 5 40 CGBB COc1cccc([N+](=O)[O-])c1C(F)(F)C(F)(F)F 169801346 WQXGINUSGKVXEF-UHFFFAOYSA-N 271.141 3.258 5 40 CGBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)nc1 480304 ABQVVZTYWRASMI-UHFFFAOYSA-N 273.273 3.282 5 40 CGBB CCOC(=O)c1cc2c(ccc3ccccc32)oc1=O 193701 FYOZSKRVTISLHE-UHFFFAOYSA-N 268.268 3.123 5 40 CGBB biogenic COc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cn2)cc1 13011905 LNPASEHCUGVLJC-NSHDSACASA-N 287.319 3.196 5 40 CGBB CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 5173598 QXXIZJPWGJDHKR-UHFFFAOYSA-N 293.201 3.344 5 40 CGBB C[C@@H](C(=O)O)n1c2ccccc2c2nc3ccccc3nc21 5508832 SLNFWCCIWNPTMK-JTQLQIEISA-N 291.310 3.383 5 40 CGBB CCCNc1ccc(-c2nc(CC)no2)cc1[N+](=O)[O-] 20897972 AFHUPQYDMFJNFR-UHFFFAOYSA-N 276.296 3.029 5 40 CGBB CC(C)c1cc(Br)cc([N+](=O)[O-])c1N 88611761 PLQCPZLZGMHBKD-UHFFFAOYSA-N 259.103 3.063 5 40 CGBB Cc1c(NC(=O)N[C@@H](C(F)F)C2CC2)cccc1[N+](=O)[O-] 585140760 KMLUKHQTJBUNFH-LLVKDONJSA-N 299.277 3.068 5 40 CGBB Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 12763589 MWCUXRIZDOKUAE-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 56181403 CQWLBNVUWKPCJQ-VIFPVBQESA-N 290.275 3.147 5 40 CGBB COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@H](C2)[N+](C)([O-])CC3 104176242 ZIZQARJISFQDMO-UBLGTCEWSA-N 287.403 3.396 5 40 CGBB O=C1c2ccccc2-c2c([N+](=O)[O-])[nH]c3cccc1c23 35326148 WZVUAOVNBKJWFO-UHFFFAOYSA-N 264.240 3.288 5 40 CGBB C[N+](C)([O-])CC[C@H](c1ccccc1)c1ccccn1 1648421 OBBDJQMNZLQVAZ-OAHLLOKOSA-N 256.349 3.178 5 40 CGBB O=C(OCc1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 1703124 NQCKQAMGKRSLFF-UHFFFAOYSA-N 281.651 3.198 5 40 CGBB CC(C)OCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 88736734 USMJLNJXYPBWPY-CYBMUJFWSA-N 293.367 3.164 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2ccccc21 32851139 HSOMWFRHHZXKSW-HNNXBMFYSA-N 297.314 3.404 5 40 CGBB Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N(C)C 24572967 DJPCFVNQGFKOGF-UHFFFAOYSA-N 299.330 3.222 5 40 CGBB Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 7223328 HDLGIGIPIBXXEI-LBPRGKRZSA-N 299.330 3.342 5 40 CGBB O=C(Oc1ccc2oc3ccccc3c2c1)[C@H]1C[C@@H]1[N+](=O)[O-] 32932049 UTHVAILYIKSVLA-STQMWFEESA-N 297.266 3.157 5 40 CGBB CN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 2753460 IDCLTVSCZJJOLS-ZHACJKMWSA-N 296.326 3.267 5 40 CGBB CCCNC(=S)Nc1ccc2nc3ccccc3nc2c1 6636208 SNAMUYNTJKQUHO-UHFFFAOYSA-N 296.399 3.479 5 40 CGBB CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 22805098 GRGAHIWWQSPDSV-UHFFFAOYSA-N 277.711 3.280 5 40 CGBB CCOc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 7185675 BENDNAUJRCYTOM-UHFFFAOYSA-N 259.265 3.132 5 40 CGBB Cc1cc([N+](=O)[O-])cc2nc(-c3cccc(N)c3)oc12 216925968 KIACWOQHRQVCBA-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB O=[N+]([O-])c1ccccc1OCC(Cl)(Cl)Cl 1565673176 NQNTXUKIRXFXRE-UHFFFAOYSA-N 270.499 3.344 5 40 CGBB Cc1ccc(NC(=O)n2c([N+](=O)[O-])cnc2C(C)C)cc1 16293128 CCLYWUZKNIAQSW-UHFFFAOYSA-N 288.307 3.303 5 40 CGBB O=c1oc2ccc([N+](=O)[O-])cc2n1C/C=C/c1ccccc1 32778962 GENKHPQOCSALFN-QPJJXVBHSA-N 296.282 3.216 5 40 CGBB COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cn1 32899381 GTICUUNFGHYGSM-UHFFFAOYSA-N 260.249 3.099 5 40 CGBB O=C(/C=C/c1ccccc1)Oc1cccc([N+](=O)[O-])c1 588467 ZFKPYJMKBKCQED-MDZDMXLPSA-N 269.256 3.214 5 40 CGBB O=C(Nc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1 6925980 NXPUNELXXALIHY-UHFFFAOYSA-N 298.711 3.349 5 40 CGBB O=CNc1ccccc1Sc1ccc(F)cc1[N+](=O)[O-] 1682082 XPSDLQVCDXGLHV-UHFFFAOYSA-N 292.291 3.453 5 40 CGBB Cc1ccc(C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 6278620 IKXSKMZDKLXOGG-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])n1cnc2ccccc21 4680352 SSXBNTYPZRWHPC-MDZDMXLPSA-N 293.282 3.298 5 40 CGBB CC(C)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 95993868 JYGDWFRGOOQSGP-CYBMUJFWSA-N 284.743 3.109 5 40 CGBB O=[N+]([O-])/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3206437 WATIEYABQZPKMW-VOTSOKGWSA-N 260.205 3.102 5 40 CGBB Cc1ccccc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 5089859 PFSMVNVURBFPAC-MDZDMXLPSA-N 296.326 3.233 5 40 CGBB O=C(N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 5442859 IJXDFNFVODOLNJ-INIZCTEOSA-N 296.326 3.402 5 40 CGBB Cc1cccc(C(=O)Nc2ccccc2)c1[N+](=O)[O-] 6338363 YKUPMOPTDPRVBG-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] 9426452 MYRVFNOWLQSJEQ-LLVKDONJSA-N 296.326 3.495 5 40 CGBB CC(C)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C 69327950 GREUUPRKWPLSSM-UHFFFAOYSA-N 292.364 3.139 5 40 CGBB O=C(O)/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)o1 72228419 SINFUYQMEMQHDW-FNORWQNLSA-N 275.216 3.078 5 40 CGBB Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 78149128 NDKRHSDKBZEOHT-UHFFFAOYSA-N 288.328 3.168 5 40 CGBB O=[N+]([O-])C[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-] 1577825 XTAICHDILDNLBZ-GJZGRUSLSA-N 286.287 3.065 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 288474 YSOSTZJIDQHPMJ-UHFFFAOYSA-N 266.640 3.094 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2c(F)c(F)c(F)c(F)c21 259283 WESFPEHTDPKBIX-UHFFFAOYSA-N 297.163 3.363 5 40 CGBB O=[N+]([O-])c1ccccc1[C@@H](O)Cc1ccc2ccccc2n1 8581512 BTJXFIIVAGFXNK-KRWDZBQOSA-N 294.310 3.419 5 40 CGBB Cc1cccc([N+](=O)[O-])c1NC1CCN(CC(C)C)CC1 95963725 MRLXBCLJVKGLRH-UHFFFAOYSA-N 291.395 3.436 5 40 CGBB O=[N+]([O-])c1cc(F)c(Br)cc1C(F)F 307329627 MDQOYNZHOJVTMA-UHFFFAOYSA-N 270.004 3.434 5 40 CGBB O=C(Oc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1 59649 SKUDPVZRYOVLEZ-UHFFFAOYSA-N 294.266 3.362 5 40 CGBB C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1 932 OEQNVWKWQPTBSC-UHFFFAOYSA-N 271.360 3.367 5 40 CGBB in-man OCC(CO)C1c2cccc3ccc4cccc1c4c23 1618239 LOJTUXVIMRBCTL-UHFFFAOYSA-N 264.324 3.039 5 40 CGBB O=C1c2cc(F)ccc2-c2cc(F)c([N+](=O)[O-])cc21 1688080 DYURKAXDBWRFLK-UHFFFAOYSA-N 261.183 3.084 5 40 CGBB CCOc1cc(CSC2=NCCS2)ccc1[N+](=O)[O-] 276864446 GUTOMWOLIWMGAF-UHFFFAOYSA-N 298.389 3.330 5 40 CGBB COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1 117601 NBXVHJOLIVSNPD-MDZDMXLPSA-N 299.282 3.162 5 40 CGBB biogenic O=C1CCc2cc(OCc3cccc([N+](=O)[O-])c3)ccc2N1 58024058 HKWIXUZVOPTPDS-UHFFFAOYSA-N 298.298 3.059 5 40 CGBB CCOC(=O)c1ccccc1C(=O)c1ccc([N+](=O)[O-])cc1 2392595 RKHBUPYSSMOWMO-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB O=[N+]([O-])c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1 45886540 LKKIMQBJXVZUFR-UHFFFAOYSA-N 285.687 3.147 5 40 CGBB Cc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226291937 VEYNQIIAODTITQ-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+]1(C)CCCC1)C2 101894610 DLBBKYDCFBRYEZ-BFYDXBDKSA-N 266.449 3.458 5 40 CGBB O=[N+]([O-])c1cccc(NC(=S)NCc2ccccc2)c1 5127294 YQTGEFRIHFOBTH-UHFFFAOYSA-N 287.344 3.081 5 40 CGBB O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 409391635 KITBTXHOSRTWRD-UHFFFAOYSA-N 299.311 3.404 5 40 CGBB C[C@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cn1 12528342 NPCOQTRRRMABPF-JTQLQIEISA-N 255.277 3.073 5 40 CGBB O=[N+]([O-])c1cn(Cc2csc(-c3ccsc3)n2)cn1 26123896 GQXLJSSULNXDKU-UHFFFAOYSA-N 292.345 3.025 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc12 83312214 CQRBCTCZUGTDTF-UHFFFAOYSA-N 278.267 3.374 5 40 CGBB CC(C)SCCN(C#N)c1ccc(F)c([N+](=O)[O-])c1 252502984 UWJDPXGCTPLMCC-UHFFFAOYSA-N 283.328 3.163 5 40 CGBB Cc1cc(=O)c2ccc3c(ccc4c(=O)cc(C)[nH]c43)c2[nH]1 16940436 NRYJMAWGDMJRRS-UHFFFAOYSA-N 290.322 3.140 5 40 CGBB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2)n1 34462967 YBCOFTDMYHILAC-UHFFFAOYSA-N 261.306 3.153 5 40 CGBB COc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 42201574 HGVDPIZNWPBQFY-UHFFFAOYSA-N 297.266 3.377 5 40 CGBB C[N+](C)(C)CCCCC[N+](C)(C)C1CCCCC1 3159017 HNACMBMTJODTIE-UHFFFAOYSA-N 256.478 3.272 5 40 CGBB Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1[N+](=O)[O-] 14069907 NYBBYCMUKRLJNK-LLVKDONJSA-N 260.293 3.198 5 40 CGBB CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 18076833 DOMIHWAPZWUPIE-UHFFFAOYSA-N 298.342 3.429 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCC1 5854271 MUZYYPGFSGSNIL-UHFFFAOYSA-N 262.309 3.422 5 40 CGBB O=c1oc2ccccc2cc1-c1ccccc1[N+](=O)[O-] 20134578 BNVJQYFDONFUQQ-UHFFFAOYSA-N 267.240 3.368 5 40 CGBB Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 3204657 AUOVQOKGERFVHI-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 22798959 LHGJLOXCJSZTPI-JQWIXIFHSA-N 292.335 3.372 5 40 CGBB CCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 18247519 WDJBVOOWIKXOIG-UHFFFAOYSA-N 273.292 3.001 5 40 CGBB CN1[C@H]2CCCC[C@@H]1[C@H](CC[N+](C)(C)C)CCC2 71785335 RPCGKTNVLRSHRQ-HRCADAONSA-N 253.454 3.126 5 40 CGBB O=[N+]([O-])c1cc(Br)ccc1-c1ccc(CO)o1 73640457 DXHHNCQERUBEIH-UHFFFAOYSA-N 298.092 3.110 5 40 CGBB CC(C)Cn1nc(Br)c2cc([N+](=O)[O-])ccc21 72220014 AADIASASGINWDR-UHFFFAOYSA-N 298.140 3.363 5 40 CGBB CCC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 892621 GEYRIPNBSUZSBJ-UHFFFAOYSA-N 254.261 3.109 5 40 CGBB Cc1cc(COc2ccc(Cl)cc2[N+](=O)[O-])on1 24416658 AFPCUCZPUOUERT-UHFFFAOYSA-N 268.656 3.124 5 40 CGBB C[N+]1([O-])CC[C@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 104334239 NOWSSEWFWRADOM-JSWLAIEMSA-N 273.376 3.093 5 40 CGBB Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])nc3)ccc12 3339973 WEZVLMSHKJJBRZ-UHFFFAOYSA-N 298.254 3.197 5 40 CGBB O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12 4118181 YLTSDKOGGWHGJN-JXMROGBWSA-N 294.266 3.267 5 40 CGBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)C2)c1 16642509 DYAYVIZJIWYAGH-SNVBAGLBSA-N 294.376 3.189 5 40 CGBB CC(C)OC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 70167255 FZLWVCBTNVCECJ-UHFFFAOYSA-N 278.091 3.467 5 40 CGBB Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 3040109 YRXRRFNOMPZKIE-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB CCCCCOc1ccc(CSC(=N)N)cc1[N+](=O)[O-] 4871761 ZJCAADTWXGBVBW-UHFFFAOYSA-N 297.380 3.290 5 40 CGBB Cc1cc(C(C)(C)C)cc(C)c1C[N+]12CCN(CC1)CC2 5903339 KMICKKKWVQMOEX-UHFFFAOYSA-N 287.471 3.247 5 40 CGBB Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c2c1 179743 IOHRNJSCPYQWPL-UHFFFAOYSA-N 282.255 3.072 5 40 CGBB Cc1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])s2)c(C)o1 78308219 FXOPUSWBCPEFFL-CYBMUJFWSA-N 296.348 3.186 5 40 CGBB COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)[nH]c2c1 3150355 GBZQLEZLTSXODF-UHFFFAOYSA-N 296.282 3.112 5 40 CGBB N=c1cc2oc3cc(N)ccc3nc-2c2ccccc12 4272017 PNEZKPARQSZCID-UHFFFAOYSA-N 261.284 3.147 5 40 CGBB O=[N+]([O-])c1ccc(Br)c(C(F)F)c1 238690475 YHTXWSSPXKCOIL-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 209583 VZWSOLNGXWPCFO-SECBINFHSA-N 282.727 3.263 5 40 CGBB Cc1ccccc1CNC(=S)c1cccc([N+](=O)[O-])c1 408571696 CRVWNBMTLCBYOF-UHFFFAOYSA-N 286.356 3.369 5 40 CGBB Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1[N+](=O)[O-] 114411979 NSRPLMSEFZMMGG-UHFFFAOYSA-N 291.685 3.187 5 40 CGBB CCC[n+]1cccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 226778218 JRYSDDNFORESTR-UHFFFAOYSA-N 298.322 3.409 5 40 CGBB COc1ccc(C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 226292241 ZLLDWWPMOVBSCW-UHFFFAOYSA-N 285.299 3.451 5 40 CGBB C[C@@H]1CC(CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 96468047 MFTNZGJUHJWDAT-RYUDHWBXSA-N 278.352 3.219 5 40 CGBB O=C(CSc1ccccc1)Nc1ccccc1[N+](=O)[O-] 5775109 NCVNKLMLDRLHJN-UHFFFAOYSA-N 288.328 3.326 5 40 CGBB Cc1ccc2[nH]c(=O)c3ccccc3c(=O)c2c1Cl 12462660 OSQCJUCCQDZEPB-UHFFFAOYSA-N 271.703 3.003 5 40 CGBB CC(=O)O[C@@H]1[C@H]2CCC[C@@H]1[C@@H]([N+]1(C)CCCCC1)CC2 354052 KWKSYISARSAIJR-VVLHAWIVSA-N 280.432 3.127 5 40 CGBB O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)cc1 72293844 ZIQSIDNMXZDEJB-LBPRGKRZSA-N 278.333 3.192 5 40 CGBB O=C(COc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 3564376 WWCYCGAEFQIMSU-UHFFFAOYSA-N 296.282 3.338 5 40 CGBB Cc1noc(C2CC2)c1NC(=O)c1cccc([N+](=O)[O-])c1 96012105 YUHFLPZDSAEZCP-UHFFFAOYSA-N 287.275 3.021 5 40 CGBB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] 9426451 MYRVFNOWLQSJEQ-NSHDSACASA-N 296.326 3.495 5 40 CGBB Cc1ccoc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 79630324 XHLGLCJYRNVHBW-UHFFFAOYSA-N 288.303 3.161 5 40 CGBB O=[N+]([O-])c1ccc(OC(F)(F)Cl)c(Cl)c1 95215695 ZCJUEZYNVAGCIM-UHFFFAOYSA-N 258.007 3.416 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/c2cc(F)c(O)c(F)c2)nc1 84503588 NMRONSROPIHPIH-OWOJBTEDSA-N 278.214 3.144 5 40 CGBB O=[N+]([O-])c1ccc(SC2=COCCC2)c([N+](=O)[O-])c1 3012593 RKZJOYKFHFLCNZ-UHFFFAOYSA-N 282.277 3.247 5 40 CGBB O=C(O[C@H]1C=C[C@@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1 100697539 UEZJBGRYPHGUOE-SUHUHFCYSA-N 273.288 3.106 5 40 CGBB O=[N+]([O-])c1ccccc1CNc1nccc(C(F)(F)F)n1 52385419 HETTVFCVTHQILG-UHFFFAOYSA-N 298.224 3.016 5 40 CGBB CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 5418610 GZAPLXSHGKXAEZ-UHFFFAOYSA-N 270.716 3.168 5 40 CGBB CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1669413 IFNDUTHQVGBBFN-UHFFFAOYSA-N 284.482 3.480 5 40 CGBB Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 8286181 TZFIZEMRCYCZLU-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 42293874 RZJSIXBPCABRJR-SECBINFHSA-N 261.256 3.302 5 40 CGBB Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 5331135 NYWRJAXNTJPVMC-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1 95432399 CRJCCRZDKZPIGR-UHFFFAOYSA-N 287.319 3.056 5 40 CGBB COc1ccccc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] 4071311 PSVYUFSFQXFZKE-ZHACJKMWSA-N 298.298 3.255 5 40 CGBB COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 5559894 RJYZCWBAHJOKJM-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1c2occc2cc2c1oc(=O)c1cnccc12 1590259 HUAHUHGFYQDAJK-UHFFFAOYSA-N 251.241 3.396 5 40 CGBB in-vitro C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 8168177 AMSBEJLXLHLRPC-GFCCVEGCSA-N 284.315 3.128 5 40 CGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccco1 3213887 YYAYRDHIHZRYSE-UHFFFAOYSA-N 289.272 3.050 5 40 CGBB C[C@@H]1CCCCN1c1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-] 70462571 OLLDYRWMCYKJGT-MRVPVSSYSA-N 298.726 3.325 5 40 CGBB Cc1cc(C)n(-c2ccc(Cl)cc2[N+](=O)[O-])n1 70461220 XCOCEYUNEVPLNY-UHFFFAOYSA-N 251.673 3.051 5 40 CGBB CCOCCSCc1nc2cc([N+](=O)[O-])ccc2o1 83095772 IGESQEFKBUQXEC-UHFFFAOYSA-N 282.321 3.006 5 40 CGBB O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccccc1 12731555 CCPMJLIQXHEYNU-KHPPLWFESA-N 268.272 3.247 5 40 CGBB C[C@H](Sc1cccc[n+]1[O-])c1cccc([N+](=O)[O-])c1 26592693 HDELJLKBCQFDHU-JTQLQIEISA-N 276.317 3.082 5 40 CGBB Cc1cccc2nc(COc3cccc([N+](=O)[O-])c3)cn12 2608247 PQXGSDNLUFPQJY-UHFFFAOYSA-N 283.287 3.130 5 40 CGBB O=C(c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F 65335482 BKIUJVGTPFKOSG-UHFFFAOYSA-N 263.199 3.104 5 40 CGBB O=[N+]([O-])c1cc(Cl)nc2[nH]cc(C(F)(F)F)c12 95937038 OZXNYYPMIUUHTH-UHFFFAOYSA-N 265.578 3.143 5 40 CGBB Cc1cc(C)c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 5694685 NMFBZTABDSJMLP-UHFFFAOYSA-N 299.330 3.355 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cccnc2)c(Cl)c1 7039807 OXFBSPZZTLLNRF-UHFFFAOYSA-N 250.641 3.436 5 40 CGBB Cc1cccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 13612590 PFLQMYYHRUUJIM-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1ncc([N+](=O)[O-])n1Cc1ccc2ccccc2c1 794561 BZTQXMHYHPMXKT-UHFFFAOYSA-N 267.288 3.301 5 40 CGBB O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 3844670 VPTFXYMUESUDTF-CQSZACIVSA-N 271.272 3.006 5 40 CGBB biogenic COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC 139723592 CGRZZYKBXNQLRB-UHFFFAOYSA-N 259.261 3.279 5 40 CGBB O=[N+]([O-])c1ccc2nc([C@@H](F)C(F)(F)F)[nH]c2c1 72265956 ZVTHOKZXGQYNIT-SSDOTTSWSA-N 263.150 3.044 5 40 CGBB O=c1c(Oc2cccc([N+](=O)[O-])c2)coc2cc(O)ccc12 5996475 QLRUHMDJMHCUJH-UHFFFAOYSA-N 299.238 3.199 5 40 CGBB biogenic O=C(Cc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 67793653 GBUJBNYDPOBPIK-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB CC(=O)Nc1cc2c(cc1[N+](=O)[O-])C1CCC2CC1 71404314 IRNMWZYNJKGUKX-UHFFFAOYSA-N 260.293 3.308 5 40 CGBB O=C(Nc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990666 HNUNDULJSJIERI-UHFFFAOYSA-N 282.299 3.265 5 40 CGBB CC(C)Cn1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1 96500985 NSOLVOUIQXKUNB-ONEGZZNKSA-N 272.308 3.013 5 40 CGBB O=C(O)/C(=C\c1ccccc1)c1ccccc1[N+](=O)[O-] 3844895 QJDMBTXQRHVJFT-RAXLEYEMSA-N 269.256 3.220 5 40 CGBB CC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2[N+](=O)[O-] 44676147 UTYQIVLMFOMOEV-UHFFFAOYSA-N 259.309 3.430 5 40 CGBB O=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 541997 VXFBRDXWYWWDJO-UHFFFAOYSA-N 251.625 3.321 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)C 372623 HDZAWWWMWSXERO-UHFFFAOYSA-N 250.298 3.278 5 40 CGBB O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12)c1ccc([N+](=O)[O-])cc1 4934302 PICSIGUMFUARDG-JZYAIQKZSA-N 299.326 3.352 5 40 CGBB CCCCCCSc1ccc(C(N)=O)cc1[N+](=O)[O-] 6397186 CCYBHNNWVSEJMD-UHFFFAOYSA-N 282.365 3.366 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@@H](C)C1 95458010 VMSRFJAESGQCHN-NWDGAFQWSA-N 264.325 3.130 5 40 CGBB O=[N+]([O-])c1cccc(OCCOc2ccccc2)c1 1619314 PUVXJCIMDXXFNO-UHFFFAOYSA-N 259.261 3.053 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccc([N+](=O)[O-])o2)cc1 6528044 JBDNRGMMPZUANH-UHFFFAOYSA-N 280.261 3.388 5 40 CGBB COc1cc(C=O)ccc1Oc1ccccc1[N+](=O)[O-] 8079632 RSFHHNSNNHYHIW-UHFFFAOYSA-N 273.244 3.208 5 40 CGBB CCCC[C@H](CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 6043097 YZFJBBCPINLPBJ-ZDUSSCGKSA-N 292.379 3.470 5 40 CGBB Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] 15410284 NAONRXDTXFTPEU-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)[nH]1 216903405 WGIQKJOMKUJHPY-UHFFFAOYSA-N 286.263 3.110 5 40 CGBB Cc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 3554379 PEPDUZQYPMXNKN-UHFFFAOYSA-N 284.315 3.142 5 40 CGBB Cc1ccn2c(C=O)c(-c3cccc([N+](=O)[O-])c3)nc2c1 4243363 NWMFZNRHKBSATI-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB CC(C)(C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 39079965 BRTMDLPSCGNGEC-UHFFFAOYSA-N 257.673 3.204 5 40 CGBB CCOc1ccc(NC(=O)c2ccc(C)o2)c([N+](=O)[O-])c1 5475288 RRHFIHNNKBJRQE-UHFFFAOYSA-N 290.275 3.147 5 40 CGBB Cc1c(N)cccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 216925668 MBRCNMJRNKAXIQ-UHFFFAOYSA-N 268.276 3.029 5 40 CGBB O=[N+]([O-])c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1 5749262 ANRISMCNFMGLPP-UHFFFAOYSA-N 267.288 3.431 5 40 CGBB CCS[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] 75105362 WMTSXWXMNNFWFX-CMPLNLGQSA-N 281.381 3.466 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1N=NC[C@H]1c1ccccc1 18202314 BDEHDTHOWLSMEX-LSDHHAIUSA-N 295.298 3.396 5 40 CGBB O=C(Cn1ccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 6270102 PYZFKSZPUNYNFP-UHFFFAOYSA-N 295.298 3.188 5 40 CGBB C[C@@H](O)Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21 2285644 JATCPSXWRIFLAF-SNVBAGLBSA-N 270.288 3.084 5 40 CGBB N[C@H](C(=O)O)c1c2ccccc2cc2ccccc12 72196676 IINMAOAZNKNHNK-HNNXBMFYSA-N 251.285 3.077 5 40 CGBB O=C(NCC1=CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 223374703 KGPOJFPPDNLURI-UHFFFAOYSA-N 294.738 3.478 5 40 CGBB C[C@H](c1ncc(-c2ccccc2)o1)n1cc([N+](=O)[O-])cn1 97048016 GVVWDHOREBGQHL-SNVBAGLBSA-N 284.275 3.056 5 40 CGBB N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 5812103 TZLICMVQPAOMDK-UHFFFAOYSA-N 291.288 3.302 5 40 CGBB CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 32999446 BRVOSJSPGZLTAK-UHFFFAOYSA-N 282.365 3.093 5 40 CGBB C[C@H](Sc1ncccn1)c1cccc([N+](=O)[O-])c1 12686486 OOSTVMHIUZTBQL-VIFPVBQESA-N 261.306 3.238 5 40 CGBB CC(C)Nc1nnc(Sc2ccccc2[N+](=O)[O-])s1 9834999 BSVGABMAUTWTCK-UHFFFAOYSA-N 296.377 3.418 5 40 CGBB COc1ccc2[nH]cc(C(=O)c3ccccc3[N+](=O)[O-])c2c1 199721073 REQMSVXUFPBYNI-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1C1CCNCC1 1536063081 AZHFHOUKWIZKDE-UHFFFAOYSA-N 274.242 3.081 5 40 CGBB CCc1nc(CNc2ccc([N+](=O)[O-])c(OC)c2)cs1 97104598 LUHIFYNAECRMDW-UHFFFAOYSA-N 293.348 3.234 5 40 CGBB Cc1cc2sc3nc(=O)c4cccnc4n3c2cc1C 1016250 ZSMQWJLVBBYKGX-UHFFFAOYSA-N 281.340 3.074 5 40 CGBB CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 56287741 OGNXELNJVHCZKD-UHFFFAOYSA-N 276.336 3.132 5 40 CGBB O=[N+]([O-])c1cc(Br)cc(OCC(F)F)c1 169800490 VMWKXJVYFRQWBD-UHFFFAOYSA-N 282.040 3.001 5 40 CGBB CC(=O)n1nc(C(F)(F)F)c([N+](=O)[O-])c1-c1ccccc1 2526344 LGPGEPINUGSEMR-UHFFFAOYSA-N 299.208 3.137 5 40 CGBB CC[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4350131 NKLPFSZKMVOBNM-FMKPAKJESA-N 254.438 3.314 5 40 CGBB O=[N+]([O-])c1ccccc1NCCc1nc2ccccc2[nH]1 7128712 LSHJLWUBUPQGHR-UHFFFAOYSA-N 282.303 3.126 5 40 CGBB CC(=O)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1 1657241 XJHLYJDEPGQGSO-UHFFFAOYSA-N 286.287 3.132 5 40 CGBB CCc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 7058349 ZHYBRVBTHJSBCR-UHFFFAOYSA-N 298.342 3.429 5 40 CGBB Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 226292754 MJLJVRTUWMJULJ-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 15745080 JOCBFACFBPRMRD-ZDUSSCGKSA-N 298.342 3.057 5 40 CGBB Cc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1[N+](=O)[O-] 4727450 HYQQRMXRMYCPQQ-UHFFFAOYSA-N 290.706 3.370 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 184229 UUVMOUIRARVMEX-CMDGGOBGSA-N 294.310 3.197 5 40 CGBB Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] 209589 MSMZPBGANVGFBL-QWRGUYRKSA-N 276.336 3.021 5 40 CGBB Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(=O)c1ccccc1-2 1599689 IVNZUCYDWVSUAH-UHFFFAOYSA-N 284.227 3.023 5 40 CGBB COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N+](C)([O-])CC3 1648425 ZIZQARJISFQDMO-PYUTUISCSA-N 287.403 3.396 5 40 CGBB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1Cl 100404135 KXDOSJYWKWOEIS-KKFJDGPESA-N 294.738 3.167 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[C@H]2CC[C@H]1C2 104263277 ZOBBQGZZHLXAHB-MRBYEJRBSA-N 261.325 3.226 5 40 CGBB O=C1c2ccc([N+](=O)[O-])cc2N[C@@H]2CCCCC[C@@H]12 226759928 PWENJZSMQGTTKI-ZYHUDNBSSA-N 260.293 3.152 5 40 CGBB CCSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 5107859 PLDCCHJHPDTKRA-UHFFFAOYSA-N 261.306 3.164 5 40 CGBB Cc1noc(/C=C\c2ccc(O)c(Cl)c2)c1[N+](=O)[O-] 408544895 VXHNCDUJEBOYNB-HYXAFXHYSA-N 280.667 3.421 5 40 CGBB Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 5711784 RHRAAKIURVGYPP-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB Cc1ccc(NC(=O)CCc2ccccc2)cc1[N+](=O)[O-] 5754104 MCUDNXJTIYVXCY-UHFFFAOYSA-N 284.315 3.475 5 40 CGBB Cc1ccc(C)c([C@@H](O)c2cccc([N+](=O)[O-])c2)c1 226291488 LMIKCQZLBOFURE-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB O=[N+]([O-])c1ccccc1/C=C/C=C1/SC(=S)N=C1O 2536900 YJHOWNVOZSVMOV-RVAGFXNCSA-N 292.341 3.480 5 40 CGBB COc1ccc(/C=C(\c2ccccc2)[N+](=O)[O-])cc1 1714362 FQZGLHHMTHWCKD-RVDMUPIBSA-N 255.273 3.470 5 40 CGBB CC[C@H]1CCCCN1c1ccc(C(=O)O)cc1[N+](=O)[O-] 37022157 VLHDREVUITYQLN-NSHDSACASA-N 278.308 3.062 5 40 CGBB O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1 2599161 XAAYMWLCUICVSL-UHFFFAOYSA-N 266.252 3.389 5 40 CGBB in-vitro O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccc(Cl)cc1 4409478 AEHSBSZRWKDOJI-UHFFFAOYSA-N 294.654 3.295 5 40 CGBB O=[N+]([O-])c1cc(Cl)c2c(cnn2Cc2ccccn2)c1 97094985 CAIHVJMVPJIVIA-UHFFFAOYSA-N 288.694 3.041 5 40 CGBB Cc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 22161151 BANJSCQOJJKKGL-UHFFFAOYSA-N 274.305 3.356 5 40 CGBB O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 4181249 OFCWRUWGWVDVSM-UHFFFAOYSA-N 299.286 3.066 5 40 CGBB O=[N+]([O-])c1cccc(Oc2cnc3ccccc3n2)c1 3016011 OVBCEUDYAYPUQJ-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB CC[N+](C)(CCO)[C@H](Cc1ccccc1)c1ccccc1 1595166 BJCCWTVUEOJQIR-FIWHBWSRSA-N 284.423 3.429 5 40 CGBB N=[S@](=O)(c1ccccc1)c1ccccc1[N+](=O)[O-] 1630426 NHHZERQGWKPSPS-SFHVURJKSA-N 262.290 3.060 5 40 CGBB COc1cc(C)c(Nc2ncccc2[N+](=O)[O-])cc1OC 7186400 GFFWGADEMPDIAY-UHFFFAOYSA-N 289.291 3.059 5 40 CGBB CCN(CC)c1c(Cl)cc([N+](=O)[O-])cc1OC 45958906 DIFDYACYAFVTHS-UHFFFAOYSA-N 258.705 3.103 5 40 CGBB O=[N+]([O-])c1ccc([C@@H]2CN=C(Nc3ccccc3)O2)cc1 17186121 UKMYPFQCZXXZMJ-AWEZNQCLSA-N 283.287 3.134 5 40 CGBB O=Cc1ccc(N2CCCc3ccccc32)c([N+](=O)[O-])c1 20298761 RTSAAOFFZPFCLS-UHFFFAOYSA-N 282.299 3.492 5 40 CGBB COc1cc(NC[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] 230611155 IUXUAYJOWJQBDR-SECBINFHSA-N 293.348 3.276 5 40 CGBB Cc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1 387320 OXZAYLSFLAKDTK-UHFFFAOYSA-N 253.261 3.218 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 2023524 OUBDKKXSOQPPEM-UHFFFAOYSA-N 285.215 3.311 5 40 CGBB Cc1nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2o1 8369284 GTABLAMKBIFOLL-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)cc1F 95215497 PGWVORZYNAJODA-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB Cc1cc(C)cc(NC(=O)c2ccccc2[N+](=O)[O-])c1 485419 SHWPMLXQJTWPNG-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=[N+]([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccccc1 4701136 XMYWYUJXGBUBLU-GXDHUFHOSA-N 270.244 3.370 5 40 CGBB O=C(O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1386992 RSPUPFIRVICSIZ-UHFFFAOYSA-N 275.285 3.444 5 40 CGBB O=Cc1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 25369242 JVCIVPAXDWUBPK-UHFFFAOYSA-N 261.208 3.339 5 40 CGBB Cc1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 42897059 HGOSAAPOTUWWAL-UHFFFAOYSA-N 272.304 3.394 5 40 CGBB O=[N+]([O-])c1ccccc1/C=C/C=C/c1ccncn1 157280020 LPJMVKJMCOMGQU-JGOQQPJWSA-N 253.261 3.111 5 40 CGBB Cc1cc(NCn2nnc3ccccc32)c([N+](=O)[O-])cc1C 4015188 ZKVVZROOHQMMFX-UHFFFAOYSA-N 297.318 3.026 5 40 CGBB Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 16597810 QIEOSFUFYTZOIH-UHFFFAOYSA-N 270.288 3.084 5 40 CGBB O=[N+]([O-])c1ccc(Cl)cc1OC(F)(F)Cl 95215500 RMFLDRGNSBILEP-UHFFFAOYSA-N 258.007 3.416 5 40 CGBB Cc1cccc(C(=O)N(C)c2ccccc2)c1[N+](=O)[O-] 6524415 WWRPUNMSYPTXAB-UHFFFAOYSA-N 270.288 3.180 5 40 CGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 9157668 KYTRLLSNJZCFMN-SECBINFHSA-N 262.240 3.269 5 40 CGBB CCOc1ccc(-c2ccc(C(=O)OC)o2)c([N+](=O)[O-])c1 70461173 AOWWCOYWLQTKJI-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB Cc1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 130220540 VMBWWDPYRVPFEE-UHFFFAOYSA-N 287.319 3.056 5 40 CGBB CCCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC 22512587 NBNKKZSTIWCYTM-LLVKDONJSA-N 294.351 3.302 5 40 CGBB COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1 24153625 DQMDYYDUPHDZCG-UHFFFAOYSA-N 272.304 3.258 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC=CCC1 12758081 OSDGORVOHMSQGU-LLVKDONJSA-N 260.293 3.198 5 40 CGBB CC(=O)c1ccc(Oc2ccc(C)nc2)c([N+](=O)[O-])c1 49099848 AMQYEMIHWHTJNM-UHFFFAOYSA-N 272.260 3.293 5 40 CGBB Cc1nn(Cc2coc(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] 6542714 KAVIMCLUUJQCGB-UHFFFAOYSA-N 298.302 3.111 5 40 CGBB COc1ccc(NC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 4610872 OMNIZXQHJDOBQQ-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccon1 95985530 NHKDZBHWTYDPGK-ZETCQYMHSA-N 290.304 3.366 5 40 CGBB CCCNC(=S)Nc1cc2ccncc2c2ncccc12 408975269 LOLPZVJFYHEJIK-UHFFFAOYSA-N 296.399 3.479 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(F)F)C(C)C 161909462 BJYJEJLDKUCKOL-UHFFFAOYSA-N 286.278 3.019 5 40 CGBB Cc1nnc(OCc2cccc([N+](=O)[O-])c2)c2ccccc12 32551 BOGPJCFRHVUZIQ-UHFFFAOYSA-N 295.298 3.425 5 40 CGBB CC(C)(CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-] 1576858 BJPQXEZVCKJQEG-MISXGVKJSA-N 255.358 3.273 5 40 CGBB in-vitro C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 12781089 TYFCDSYWYUNOLJ-SECBINFHSA-N 261.256 3.302 5 40 CGBB CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 73640188 FTHVWGAQOPYDMM-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB O=C(O)c1ccc([N+](=O)[O-])c(NC2CCCCC2)c1 5660002 VJXPEUCGFQFSGZ-UHFFFAOYSA-N 264.281 3.038 5 40 CGBB Cc1[nH]c2ccccc2c1CCNc1ncccc1[N+](=O)[O-] 19874728 SPLOIPSPWANNSY-UHFFFAOYSA-N 296.330 3.434 5 40 CGBB CCn1c(=O)c2ccccc2c2cc([N+](=O)[O-])ccc21 1601779 VKXLGSJFIBCTOX-UHFFFAOYSA-N 268.272 3.083 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccccc2Cl)nc1 17118008 LLVFXQXOBUCITR-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB Cc1nc(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)no1 36636056 WCWHABKGLPXWAZ-UHFFFAOYSA-N 271.232 3.213 5 40 CGBB O=[N+]([O-])c1c[nH]c2ncc(C(F)(F)F)c(Cl)c12 95936964 VPSJPRMYBKNGOI-UHFFFAOYSA-N 265.578 3.143 5 40 CGBB O=C(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1Cl 231393 KURUPIRIIPAQRJ-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB O=[N+]([O-])c1cccc(-c2ccnc3nc4ccccc4n23)c1 20635288 GACMPFREYNFDCH-UHFFFAOYSA-N 290.282 3.458 5 40 CGBB CCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1F 48374583 DLYSAKOTOQJTFQ-UHFFFAOYSA-N 277.255 3.271 5 40 CGBB CCOc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225276866 ZZTIXJXJAWXCDE-UHFFFAOYSA-N 251.282 3.104 5 40 CGBB O=[N+]([O-])c1cccnc1Oc1cnc2ccccc2c1 191859700 ZOVVGFWPNJSJLY-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB Cc1nc(CNCc2ccc(Cl)c([N+](=O)[O-])c2)cs1 58139174 QUDPKCFDLIRKPP-UHFFFAOYSA-N 297.767 3.303 5 40 CGBB CCCCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] 20897919 IXDHIHXXBHMQCJ-UHFFFAOYSA-N 276.296 3.165 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 8161023 VZIAEXVCIREFOC-GXTWGEPZSA-N 288.347 3.247 5 40 CGBB COc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1F 9662793 XUBKZOQORYDJEB-UHFFFAOYSA-N 292.266 3.025 5 40 CGBB O=[N+]([O-])c1cccc(C(=S)NCc2ccc(F)cc2)c1 408571756 FGASTKUNFYZBPB-UHFFFAOYSA-N 290.319 3.199 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 123857083 DODWIYCCTJNYRS-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB O=C(O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 5583021 WMVWVHRAIXKTED-UHFFFAOYSA-N 298.345 3.161 5 40 CGBB O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 562746 OXSLHCVONDVRAY-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB O=c1[nH]c2cc([N+](=O)[O-])ccc2c2cccc(Cl)c12 8627961 NSQKNBBRBOOZDA-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB O=C(/C=C\c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)cc1 13882060 MOSSMDUQGHISID-ALCCZGGFSA-N 292.678 3.493 5 40 CGBB CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 36398368 COGOINBWUHIERY-UHFFFAOYSA-N 260.249 3.003 5 40 CGBB COc1ccc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 226292216 TTYDPYUCRVKKGS-UHFFFAOYSA-N 271.272 3.143 5 40 CGBB CCN1Cc2nc3c(ccc4ccccc43)cc2C1=O 96319277 JGIHZNJYYWJQHH-UHFFFAOYSA-N 262.312 3.364 5 40 CGBB COCCN(C)C(=O)c1cc2ccccc2c2cccnc12 55931678 OWKZJFBMEXJUHO-UHFFFAOYSA-N 294.354 3.106 5 40 CGBB CC(=O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 4211629 JKXVEWTVBFBXAA-UHFFFAOYSA-N 256.261 3.220 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CO)o1 4290833 SSAQDGGOUGTTJM-UHFFFAOYSA-N 253.641 3.001 5 40 CGBB Cc1nc2ccccc2nc1COc1ccc([N+](=O)[O-])cc1 16265334 IMXBARJOGRGUNX-UHFFFAOYSA-N 295.298 3.425 5 40 CGBB Cc1ccc2c(c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O2 15109713 NGWIPIOAOVDXIW-UHFFFAOYSA-N 284.271 3.286 5 40 CGBB Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1 265805 WKZPBGCWCPOWNC-UHFFFAOYSA-N 270.288 3.458 5 40 CGBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 156656 ZKMJWBJCNUSXDO-UHFFFAOYSA-N 297.719 3.081 5 40 CGBB in-vitro C[N+]1(CSC(=O)c2ccccc2)CCCCC1 1563662 NDLUFIRWGDFOHY-UHFFFAOYSA-N 250.387 3.148 5 40 CGBB CCC[C@@H](C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1583640 FMQYNJAZGOHAHT-SSDOTTSWSA-N 254.242 3.112 5 40 CGBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1O 3120937 ITOKMJYGXQAYQE-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB CC(C)[C@@H](C)Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 14077238 KJVIQLZEXXMAJR-SECBINFHSA-N 276.292 3.158 5 40 CGBB Cc1cc(OC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl 4503112 YSSSXXWTUOODDS-UHFFFAOYSA-N 281.651 3.369 5 40 CGBB O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 5673500 RQUGPINVFOFVSU-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB O=Cc1cccc2c(Br)ccc([N+](=O)[O-])c12 3844831 PELZLDYCMWFUJW-UHFFFAOYSA-N 280.077 3.323 5 40 CGBB biogenic COc1ccc([C@@H](O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 226292416 KJDIWKMMMGEGJS-MRXNPFEDSA-N 287.315 3.302 5 40 CGBB CCOC(=O)c1csc(N)c1-c1ccc([N+](=O)[O-])cc1 545699 ZSZSPRIPTVJZDS-UHFFFAOYSA-N 292.316 3.082 5 40 CGBB Cc1nc(NC(=O)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] 89536959 AKFAHWFFTSCCOU-MRVPVSSYSA-N 291.332 3.102 5 40 CGBB CC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl 45891631 RTCSMAIYMLLKKZ-UHFFFAOYSA-N 297.742 3.197 5 40 CGBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/[N+](=O)[O-])o1 207058571 ZMQVGMDAEBIXOJ-VOTSOKGWSA-N 290.231 3.111 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1O 2540143 VRQKCPBODHTCFI-UHFFFAOYSA-N 275.104 3.338 5 40 CGBB Cc1cc2c(=O)c3ccccc3oc2c(C(=O)O)c1C 5759975 CZFNWHCMZWJWIW-UHFFFAOYSA-N 268.268 3.261 5 40 CGBB CN(C)CCCNc1c([N+](=O)[O-])sc2ccccc12 4488685 MNMLYJKQYUNBKK-UHFFFAOYSA-N 279.365 3.173 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 3446930 OPAHIRHAOFZMOT-SNVBAGLBSA-N 288.278 3.225 5 40 CGBB O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21 492561 UICVKJHQZUAKLT-ZROIWOOFSA-N 267.240 3.263 5 40 CGBB Cc1cccc(C(=O)Nc2nc(C)c(C)s2)c1[N+](=O)[O-] 9749207 ZMUSOUXAURWPBW-UHFFFAOYSA-N 291.332 3.229 5 40 CGBB CC(=O)c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4079356 YWJZMEUWGXURSE-UHFFFAOYSA-N 299.286 3.441 5 40 CGBB C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 4679792 YNVAQOXIURTABG-JTNHKYCSSA-N 276.336 3.149 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1 22590535 DHBIJHIMJOGDEK-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB COc1ccc(NC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 13950440 HMNJPMNYZIODJK-UHFFFAOYSA-N 287.275 3.247 5 40 CGBB Cc1ccc2c(ccc3ncc(C(=O)O)c(Cl)c32)n1 218259629 KDZWDEMYGSNBSO-UHFFFAOYSA-N 272.691 3.443 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 5578111 PIVPSDRRRPHHGT-CMDGGOBGSA-N 286.262 3.386 5 40 CGBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc[n+](CC)c3)oc12 226234652 IWCFWRLWSFPNJW-UHFFFAOYSA-N 298.322 3.273 5 40 CGBB C[C@@H](CNc1ccncc1[N+](=O)[O-])c1nc2ccccc2o1 96446573 FNLLUZLXIQUGHT-JTQLQIEISA-N 298.302 3.347 5 40 CGBB Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 21806956 PWJUMWVAWWCHAJ-UHFFFAOYSA-N 272.260 3.345 5 40 CGBB C[C@@H]1CCCCN1c1cc2sc(N)nc2cc1[N+](=O)[O-] 20154709 CFBXOHRXVNMKKC-MRVPVSSYSA-N 292.364 3.166 5 40 CGBB CCc1ccc(NC(=O)CC(C)C)cc1[N+](=O)[O-] 27318143 SMXPRLKYQBWGMJ-UHFFFAOYSA-N 250.298 3.142 5 40 CGBB C[C@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cn1 13012934 BCKXHCNBASZJQI-SNVBAGLBSA-N 275.283 3.326 5 40 CGBB COc1ccc(C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 226292224 YFUKQRKXOXFEOO-UHFFFAOYSA-N 285.299 3.451 5 40 CGBB Cc1ccc(-n2nc(C)c(/C=C/[N+](=O)[O-])c2C)cc1 6503662 KHYMDDVEGHBAGG-CMDGGOBGSA-N 257.293 3.045 5 40 CGBB C[N+]1(C)CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 338173 NXTWYDPQNKVDLP-OAHLLOKOSA-N 294.374 3.312 5 40 CGBB biogenic,in-vitro Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 304722 JLPQXRMIYNILFF-QWRGUYRKSA-N 276.336 3.021 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F 35334131 KFMJYTHOZJAJBK-UHFFFAOYSA-N 290.250 3.000 5 40 CGBB Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 40169835 QAINHVMXBULJEN-UHFFFAOYSA-N 253.261 3.447 5 40 CGBB Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1C 197086301 LTJOUDWSMUMIPS-UHFFFAOYSA-N 269.393 3.050 5 40 CGBB O=[N+]([O-])c1ccc(OCCCOc2ccccc2)cc1 1555821 HZJOEFOOGWNEJW-UHFFFAOYSA-N 273.288 3.443 5 40 CGBB CCOC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2Cl)no1 508171 MNVVMKVJQKIVRY-UHFFFAOYSA-N 296.666 3.080 5 40 CGBB CC(C)(C)SC(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1 1557959 GIGOHCOJLQPALA-RISCZKNCSA-N 295.360 3.483 5 40 CGBB CCCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1 1703922 UENNBMDLAPCFCW-UHFFFAOYSA-N 251.282 3.330 5 40 CGBB Cc1cc(F)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 3558998 HXMBSXDUPLGTEU-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CN(C)C(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160225 SMHLNISXPUOAQI-UHFFFAOYSA-N 284.724 3.165 5 40 CGBB O=[N+]([O-])[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-] 1715631 QRFGNIXDMFSDQA-KBPBESRZSA-N 272.260 3.022 5 40 CGBB biogenic CCc1ccc(NC(=O)c2ccc(C)nc2)cc1[N+](=O)[O-] 32796325 KMXZCQPLOJHPKA-UHFFFAOYSA-N 285.303 3.113 5 40 CGBB CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])nc3)c2O1 5689495 FCQPATSUTCCXOL-UHFFFAOYSA-N 286.287 3.496 5 40 CGBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nccs1 84777537 NMCAHKGTMXLDIU-UHFFFAOYSA-N 277.349 3.073 5 40 CGBB CC(=O)c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 40039717 KKVAMBURNKVZJI-UHFFFAOYSA-N 274.320 3.398 5 40 CGBB Cc1ccc(NC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 6922618 ORWWBKYHZBMPMM-UHFFFAOYSA-N 277.324 3.357 5 40 CGBB CC(C)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 95993867 JYGDWFRGOOQSGP-ZDUSSCGKSA-N 284.743 3.109 5 40 CGBB CC(C)CN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1 1599305 ZBKDSVUUADGUBH-UHFFFAOYSA-N 278.352 3.349 5 40 CGBB C[C@H]([C@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1 163981 GEBWLJOOGXIBCH-QAPCUYQASA-N 270.396 3.385 5 40 CGBB COC(=O)c1ccccc1-c1ccccc1[N+](=O)[O-] 1724165 WXDGYVUEKOPCSW-UHFFFAOYSA-N 257.245 3.048 5 40 CGBB O=c1c2ccccc2cc2nc(O)c3ccc(Cl)cc3n12 28113973 IRLGABSQJYZACJ-UHFFFAOYSA-N 296.713 3.360 5 40 CGBB CCCc1cc(=O)oc2c(C)c3occc(=O)c3cc12 12902808 WFKXWVIKXMDMFI-UHFFFAOYSA-N 270.284 3.160 5 40 CGBB biogenic C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)O 20549282 OHCHYALIUQFVJN-SKDRFNHKSA-N 278.308 3.284 5 40 CGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F 56271586 SACYFIVZPYVJGW-ZETCQYMHSA-N 297.213 3.384 5 40 CGBB O=[N+]([O-])c1ccc2[nH]nc(OCc3cccc(F)c3)c2c1 72226538 BMCFVCFRGMAQLJ-UHFFFAOYSA-N 287.250 3.189 5 40 CGBB Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1 75191 ZEJWZGJVLLMJLE-ZDUSSCGKSA-N 279.727 3.019 5 40 CGBB O=[N+]([O-])/C(=C(\c1ccccc1)[N+](=O)[O-])c1ccccc1 2584595 NQAQCAROZAAHGL-BUHFOSPRSA-N 270.244 3.066 5 40 CGBB O=C(Cc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 6406085 WHTICWBJIILNSU-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB CCc1ccc(NCc2c(C)noc2C)cc1[N+](=O)[O-] 26788873 CIDLCPVWKSWSJK-UHFFFAOYSA-N 275.308 3.374 5 40 CGBB C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 84439770 LTFPNPNORKKXMR-MRVPVSSYSA-N 254.717 3.136 5 40 CGBB COc1cc([N+](=O)[O-])ccc1N(C)C1CCCCC1 216772358 SEDREETYSFWJBN-UHFFFAOYSA-N 264.325 3.372 5 40 CGBB O=[N+]([O-])c1ccc(-c2csc(Nc3ccccn3)n2)o1 13212963 SPGVIIBDOMJNRJ-UHFFFAOYSA-N 288.288 3.450 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C 502776 BFOHQOJZKOZPPA-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 559895 CQRPYTIXUBMWHF-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Cc1ccc(OC/C=C/c2ccccc2)c([N+](=O)[O-])n1 5970387 DUWXOALTJVZKHP-VMPITWQZSA-N 270.288 3.390 5 40 CGBB CCOP(=O)(OCC)[C@@H](C[N+](=O)[O-])c1ccccc1 3011992 IVURFUDNUSBKNB-LBPRGKRZSA-N 287.252 3.271 5 40 CGBB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1 7911950 UTFUXBJSDKZRSI-ZHACJKMWSA-N 289.312 3.039 5 40 CGBB CCOC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4294161 ISOKBFRRQLYGHM-CSKARUKUSA-N 287.271 3.431 5 40 CGBB Cc1noc(/C=C/Nc2cc(Cl)ccc2O)c1[N+](=O)[O-] 100151918 OGOLEBQHVSGGMJ-SNAWJCMRSA-N 295.682 3.333 5 40 CGBB CCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)OC)o1 226314838 JSASTXOGAKHHIS-UHFFFAOYSA-N 275.260 3.204 5 40 CGBB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1 100449385 HUXYVLZRNKGAMY-UMSPYCQHSA-N 291.303 3.059 5 40 CGBB CC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3121492 LSVKWLBIKOYJJX-MRXNPFEDSA-N 299.282 3.082 5 40 CGBB biogenic CCOc1ccc(-c2ccc(C(=O)OC)o2)cc1[N+](=O)[O-] 73640208 FYXZOXYZPZLLOX-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB Cc1nn([C@@H](C)c2ncc(C(C)(C)C)o2)c(C)c1[N+](=O)[O-] 89124263 JRZPXDPPBIYOLU-JTQLQIEISA-N 292.339 3.303 5 40 CGBB Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 38546 ONJIHOGCLPHZSU-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)O 20549283 OHCHYALIUQFVJN-CABZTGNLSA-N 278.308 3.284 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\C(=O)O)o1 6130948 CGSJRTMBJMQGOB-DAXSKMNVSA-N 273.244 3.261 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2[nH]ccc2c1 92549256 DOBJJVUNGXBLEI-UHFFFAOYSA-N 297.270 3.034 5 40 CGBB Cc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1 226291943 VEYNQIIAODTITQ-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB O=C1OCC(c2ccc(F)cc2)=C1c1ccc([N+](=O)[O-])cc1 3291922 SIINIMQNFITAMQ-UHFFFAOYSA-N 299.257 3.202 5 40 CGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 4036956 IOSKOYRBNSDYOE-UHFFFAOYSA-N 266.640 3.094 5 40 CGBB CCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1689193 QIGBDFYIJOJSBO-UHFFFAOYSA-N 257.673 3.205 5 40 CGBB CCCCNc1c([N+](=O)[O-])c(=O)sc2ccccc12 3897545 UPNQLLFJPFVYHB-UHFFFAOYSA-N 278.333 3.382 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C 4064735 UTSXCLQQDIBOGU-QZOZAFJCSA-N 276.444 3.256 5 40 CGBB biogenic O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 16305196 XLOGABOVXZYNEQ-UHFFFAOYSA-N 292.241 3.054 5 40 CGBB COc1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 20897516 AFJCIKJEACZMFC-UHFFFAOYSA-N 299.286 3.059 5 40 CGBB COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 3065523 FFZVHMSSPVPLCB-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 3481561 MWYWLGZQXIAHKS-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Cc1ccc2c(c1)NC(=O)c1cc([N+](=O)[O-])ccc1O2 88720 UAZQPUJBGXZXBM-UHFFFAOYSA-N 270.244 3.261 5 40 CGBB O=[N+]([O-])c1cccc(OCCCOc2ccccc2)c1 1619313 JCXYOTRMYJMLSI-UHFFFAOYSA-N 273.288 3.443 5 40 CGBB CC(C)c1cnc(COc2ccc([N+](=O)[O-])cc2)o1 78680242 PTSQKDXIBBVUIB-UHFFFAOYSA-N 262.265 3.285 5 40 CGBB CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])o2)cc1 1667255 NPAJZEQRHDGSIE-UHFFFAOYSA-N 278.289 3.297 5 40 CGBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)nc1 13207476 VNSVXIFNTLTYDL-UHFFFAOYSA-N 272.289 3.017 5 40 CGBB O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1 98210990 VQWAHDWQOWAMDO-UHFFFAOYSA-N 289.131 3.467 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccnc1Cl 14258300 VRORZFHEWVYDAI-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB Cc1c(NC(=O)C2CCCCC2)cccc1[N+](=O)[O-] 86071 YQAYRYZQIFJVRB-UHFFFAOYSA-N 262.309 3.422 5 40 CGBB CC(C)(C)SC(=O)[C@@]1(C)O[C@H]1c1ccc([N+](=O)[O-])cc1 1557960 GIGOHCOJLQPALA-FZMZJTMJSA-N 295.360 3.483 5 40 CGBB CC(C)[C@H](C)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 95964731 BCLGNZIACWFPAM-LBPRGKRZSA-N 278.352 3.030 5 40 CGBB COc1ccc(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 199523670 YLRDPWCOWPJMIF-UHFFFAOYSA-N 296.282 3.316 5 40 CGBB O=[N+]([O-])c1ccc(CNCc2ccc(F)cc2)cc1 16401625 OEXNINVXUJRIDU-UHFFFAOYSA-N 260.268 3.024 5 40 CGBB O=C(O)c1cccc2c(Cl)ccc([N+](=O)[O-])c12 62719841 IUYBBROSODRECV-UHFFFAOYSA-N 251.625 3.100 5 40 CGBB CN(c1ccc([N+](=O)[O-])cc1C=O)C1CCCCC1 7719378 OOYMKDNVQYYCNI-UHFFFAOYSA-N 262.309 3.176 5 40 CGBB COc1cccc2c1CC[C@H]2Nc1cc(N)ccc1[N+](=O)[O-] 193476455 GJSDDOUWRNWAFR-CYBMUJFWSA-N 299.330 3.285 5 40 CGBB O=C(O)c1cc2cc3c(cc2c2ccccc12)OCO3 1569656 GNWWDKHZJOUXAD-UHFFFAOYSA-N 266.252 3.420 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2cc(Cl)ccc21 1698858 PDFMQJNEKZVVGB-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 36562538 LUWYKQFRZUBSLH-OAHLLOKOSA-N 284.315 3.476 5 40 CGBB CCc1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291411 HRTMQKCJWREYHC-HNNXBMFYSA-N 257.289 3.239 5 40 CGBB O=[N+]([O-])c1ccc(OCC[C@H]2CCCCN2)c(Cl)c1 42774239 YVXGGQZGEAHKMV-SNVBAGLBSA-N 284.743 3.159 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 262055 ZVHMVWZNUNXORH-DHZHZOJOSA-N 268.272 3.247 5 40 CGBB CCN(CC)c1cc2oc3cc(=N)cc(N)c-3nc2cc1C 5840353 WZPYLANIYWZQPO-UHFFFAOYSA-N 296.374 3.149 5 40 CGBB COc1c(O)cc2c3c(cc4ccccc4c13)N(C)C2=O 5996060 WRFZNTLPRUIGKH-UHFFFAOYSA-N 279.295 3.297 5 40 CGBB biogenic,in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccnc1Cl 6268379 YHYHPDIMSWMNNR-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB CCC[C@@H]1[C@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 84740580 ZXGAJGQMXVHRTN-DGCLKSJQSA-N 263.341 3.395 5 40 CGBB O=C(c1cc(Cl)c([N+](=O)[O-])[nH]1)C(Cl)(Cl)Cl 217653670 PAWYNDCSAZJVNZ-UHFFFAOYSA-N 291.905 3.129 5 40 CGBB COc1cc([N+](=O)[O-])ccc1NC1CCCCC1 37061974 FUQUYDVLJJRHTH-UHFFFAOYSA-N 250.298 3.348 5 40 CGBB CC[N+](CC)(CC)CC(F)(F)[C@@H](F)C(F)(F)F 98210539 YWJHIAVBVBUEHY-MRVPVSSYSA-N 266.249 3.399 5 40 CGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 95470993 MTVWWMIORQQUNY-JTQLQIEISA-N 286.287 3.043 5 40 CGBB Cc1c(NC(=O)CCc2ccco2)cccc1[N+](=O)[O-] 30057767 IZGLSFQVHNXYAE-UHFFFAOYSA-N 274.276 3.068 5 40 CGBB CC[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100820739 NKLPFSZKMVOBNM-LZWOXQAQSA-N 254.438 3.314 5 40 CGBB O=[N+]([O-])c1ccccc1CNC1(c2ccccc2)CC1 69486834 VTOVBUHNSDRMJN-UHFFFAOYSA-N 268.316 3.374 5 40 CGBB Cc1nc([C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C(C)C)n[nH]1 79022779 WCIBQIWEPDDZLN-ZDUSSCGKSA-N 289.339 3.139 5 40 CGBB COc1ccc([N+](=O)[O-])cc1-c1cc2ccccc2oc1=O 20134505 XMFLBFMBCVMQBD-UHFFFAOYSA-N 297.266 3.377 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/c2ccnnc2)c(Cl)c1 96009387 YQNRYPQWBKIYMM-OWOJBTEDSA-N 261.668 3.209 5 40 CGBB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 5679712 QVAGRHKBRGIVHH-UHFFFAOYSA-N 290.706 3.429 5 40 CGBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 32124702 WCRQLJGHODRJJF-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB CC(C)(C)OC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O 228927719 CRIMWKUPTUBXDD-UHFFFAOYSA-N 288.687 3.301 5 40 CGBB Cc1nn(Cc2ncc(-c3ccccc3)o2)c(C)c1[N+](=O)[O-] 6602646 XOSRFCBOZNZJKZ-UHFFFAOYSA-N 298.302 3.111 5 40 CGBB CCN(CC)C(=S)SCc1ccc([N+](=O)[O-])cc1 6400568 RACFPESJWFWBPJ-UHFFFAOYSA-N 284.406 3.455 5 40 CGBB O=C(O)c1cccc2nc3cc(Cl)ccc3nc12 6745374 BKNYZPGHEKKBDS-UHFFFAOYSA-N 258.664 3.135 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@H](C)C1 95458008 VMSRFJAESGQCHN-VXGBXAGGSA-N 264.325 3.130 5 40 CGBB Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1[N+](=O)[O-] 12598993 IJDATBFVMWCOEB-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(O)c1 3569970 DVJHCPYTENYASH-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+]1(C)CCCC1 252505290 JQBVARXKZLIYPH-XMTFNYHQSA-N 298.491 3.065 5 40 CGBB CCOC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 35333388 SHBDHFAADUABST-UHFFFAOYSA-N 264.064 3.078 5 40 CGBB C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1 339162 MCCRVVXXYSKXAG-UHFFFAOYSA-N 268.789 3.007 5 40 CGBB O=[N+]([O-])c1ccc2nc(N3CCCCC3)sc2c1 66686 PLSZRVGIOIGRNA-UHFFFAOYSA-N 263.322 3.195 5 40 CGBB C[C@H](O)Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21 502589 JATCPSXWRIFLAF-JTQLQIEISA-N 270.288 3.084 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ncc[nH]2)c2ccncc12 78469913 ZOBUPGRNIPXQBI-UHFFFAOYSA-N 272.289 3.017 5 40 CGBB Cc1cccn2c(C=O)c(-c3ccc([N+](=O)[O-])cc3)nc12 2510939 XNNYSZNKUJNECV-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB CC[C@@H](NCc1ccccn1)c1cccc([N+](=O)[O-])c1 37010472 ITOPSUWJJYOYLF-OAHLLOKOSA-N 271.320 3.231 5 40 CGBB O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CCCC2)nc1 71817208 AMBVSUIZFSTTQZ-ZDUSSCGKSA-N 261.325 3.149 5 40 CGBB Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 32796724 ALDRHRAJNHCPLF-UHFFFAOYSA-N 296.286 3.032 5 40 CGBB Cc1ccccc1CNCCNc1ccc([N+](=O)[O-])cc1 8415651 MIYQJBFFKNGKEK-UHFFFAOYSA-N 285.347 3.105 5 40 CGBB CC1CCN(c2cc(Cl)c3nonc3c2[N+](=O)[O-])CC1 3882572 CLZKWKBSTKVFOK-UHFFFAOYSA-N 296.714 3.021 5 40 CGBB Cc1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 6522239 MQHPZQIMFKINKE-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB Cc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)s1 8413771 ZYNXFUJZHWGXKJ-UHFFFAOYSA-N 291.376 3.166 5 40 CGBB O=[N+]([O-])c1cccc(CNc2cc(CO)ccc2Cl)c1 76062080 WVGFFFHSJJZRAR-UHFFFAOYSA-N 292.722 3.353 5 40 CGBB O=[N+]([O-])c1ccc(Cl)nc1N1CCCCCC1 36925878 BBVYEOPHSWKAIM-UHFFFAOYSA-N 255.705 3.024 5 40 CGBB COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 231411 VSWKBRYAWOEADX-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 8406575 SNUWUHFJILTYKY-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB O=[N+]([O-])c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 91252297 DKCNPCFJMKMXAB-SSDOTTSWSA-N 289.131 3.467 5 40 CGBB Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 9721782 BEWBPUBZRIWTSZ-UHFFFAOYSA-N 279.683 3.137 5 40 CGBB Cc1c(CN(C(C)C)C2CCOCC2)cccc1[N+](=O)[O-] 96419592 MASUSQUHLAAUNG-UHFFFAOYSA-N 292.379 3.293 5 40 CGBB O=[N+]([O-])c1cccc(C2OCC3(CO2)C[C@@H]2C=C[C@H]3C2)c1 3852115 JKNFZNJCPQALQA-UXWRLGMKSA-N 287.315 3.223 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Oc1cc(Cl)ccc1Cl 8318062 UFJYMQLMPKPDRQ-UHFFFAOYSA-N 288.090 3.427 5 40 CGBB O=C1NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)N1 1098661 SBPYHDWXMCLEJG-MHWRWJLKSA-N 288.306 3.173 5 40 CGBB COc1ccc(CN(C)c2cccc(F)c2[N+](=O)[O-])cc1 48802033 IHDOWIGMOFYBCI-UHFFFAOYSA-N 290.294 3.379 5 40 CGBB C[N+]1([O-])CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 17284666 NOWSSEWFWRADOM-PNQBHLATSA-N 273.376 3.093 5 40 CGBB Cc1ccc(F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 8079208 HJIKULJZCBRXHH-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB COc1ccc2nc3ccccc3nc2c1NC(=O)C(C)C 8558312 NCAXSHGFZKCGSV-UHFFFAOYSA-N 295.342 3.386 5 40 CGBB Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 39931871 JYNXNFGIONBZQH-NSHDSACASA-N 257.293 3.471 5 40 CGBB CCOC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 35186092 GRHLOUHESRFTGP-UHFFFAOYSA-N 264.064 3.078 5 40 CGBB O=[N+]([O-])c1c[nH]nc1-c1cc(Cl)cc(Cl)c1 96527472 OVICXOKNQACMOI-UHFFFAOYSA-N 258.064 3.292 5 40 CGBB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 43879494 DUHMXOBTXXLZLS-CMPLNLGQSA-N 291.303 3.059 5 40 CGBB CC(C)[C@H](C)Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 14077240 KJVIQLZEXXMAJR-VIFPVBQESA-N 276.292 3.158 5 40 CGBB Cc1cc(Oc2nn(C)cc2[N+](=O)[O-])ccc1Cl 95098618 NUFAQMIUMNEXNQ-UHFFFAOYSA-N 267.672 3.082 5 40 CGBB CCOC(=O)c1oc2ccc([N+](=O)[O-])c3c2c1CCC3 5811594 KVSSXNFYCCIYSG-UHFFFAOYSA-N 275.260 3.006 5 40 CGBB Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 242509 VXCLPVZGTDMDND-UHFFFAOYSA-N 257.245 3.122 5 40 CGBB Cc1ccc(-c2nc(Cn3cnc([N+](=O)[O-])c3)co2)c(C)c1 12520598 NZFLFIPGKVYNPX-UHFFFAOYSA-N 298.302 3.111 5 40 CGBB Cc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2o1 58245696 AZLBTVWQTSFOSP-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB COc1cc(NCc2ccoc2C)ccc1[N+](=O)[O-] 96429225 NAGJZBGIURZWDK-UHFFFAOYSA-N 262.265 3.117 5 40 CGBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 13596325 UUHNMQLUYQRTML-LLVKDONJSA-N 282.299 3.186 5 40 CGBB O=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 288728 RJJVFCLRUMMJCK-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB O=C(Nc1cc2cccnc2c2cccnc12)N1CCCC1 408975836 OCBLHAQOZIMCDJ-UHFFFAOYSA-N 292.342 3.411 5 40 CGBB CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 7804096 ATBMMMZWBSWMQD-QMMMGPOBSA-N 270.716 3.023 5 40 CGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccccc1 40509269 YKNLKIGKTAKLPU-UHFFFAOYSA-N 298.342 3.186 5 40 CGBB COc1cc(C)c([N+](=O)[O-])cc1OCc1ccccc1 2583524 LBLJFBODCWOVTJ-UHFFFAOYSA-N 273.288 3.491 5 40 CGBB in-vitro O=C(c1ccsc1)N1CCCc2c1cccc2[N+](=O)[O-] 95436664 SWBQTTKKYWPRFD-UHFFFAOYSA-N 288.328 3.249 5 40 CGBB CCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 6011040 UQPGRLJUCKUOIR-UHFFFAOYSA-N 282.295 3.399 5 40 CGBB Cc1ccc2nc(Sc3ncccc3[N+](=O)[O-])[nH]c2c1 13575455 LCJHNIZHHBVZPN-UHFFFAOYSA-N 286.316 3.326 5 40 CGBB O=C1c2cc(F)ccc2-c2c(F)cc([N+](=O)[O-])c(F)c21 1638405 WXMVIRWZCGWDMC-UHFFFAOYSA-N 279.173 3.224 5 40 CGBB O=[N+]([O-])c1ccc(C2OCC3(CO2)C[C@H]2C=C[C@@H]3C2)cc1 3852133 VHKIISPXBQUUJF-VZVMWQMNSA-N 287.315 3.223 5 40 CGBB Brc1cnc2nc3[nH]c4ccccc4c3nc2c1 6534252 NFDGDDVRSOPLGK-UHFFFAOYSA-N 299.131 3.422 5 40 CGBB CC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 8055729 MPQFMIKJHRQTSX-UHFFFAOYSA-N 284.315 3.452 5 40 CGBB Cc1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 26717741 LHBZHXXXSRHTCG-UHFFFAOYSA-N 283.331 3.467 5 40 CGBB O=C(O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 3844671 VPTFXYMUESUDTF-AWEZNQCLSA-N 271.272 3.006 5 40 CGBB biogenic Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 15541768 XSSQMHRXBUDYGR-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB C[N+]1(C)CCCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 4692462 KTNUVEVUPCPDIR-LJQANCHMSA-N 296.434 3.204 5 40 CGBB O=C(c1ccccc1)[C@H]1N=NC[C@H]1c1ccc([N+](=O)[O-])cc1 100478006 UZLZXBNRZHPDMM-GJZGRUSLSA-N 295.298 3.396 5 40 CGBB Cc1c(-c2ccc(/C=C/C(=O)O)o2)cccc1[N+](=O)[O-] 8728951 MUYBKZWIZRGYNM-SOFGYWHQSA-N 273.244 3.261 5 40 CGBB CCOC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 73640176 ILEDHCBNUPTKEC-UHFFFAOYSA-N 275.260 3.340 5 40 CGBB O=C(Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])s1 12772339 PZLPTZIPEDHBKU-UHFFFAOYSA-N 284.243 3.187 5 40 CGBB Cc1c(C(=O)Nc2ccc3[nH]ncc3c2)cccc1[N+](=O)[O-] 20479277 GIRZUDNYCZZJIS-UHFFFAOYSA-N 296.286 3.032 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100757508 UBCQEAQWETXMQV-CVMIBZJCSA-N 288.347 3.149 5 40 CGBB C[C@H]1CCCC[C@H]1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3913739 JZOBUCVZJDQOFJ-GXSJLCMTSA-N 278.308 3.284 5 40 CGBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccs2)nc1 25370591 PSEQIJZJFXYAGH-NSHDSACASA-N 275.333 3.393 5 40 CGBB O=[N+]([O-])c1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 3251399 MIFLRNVWNRYFFE-UHFFFAOYSA-N 292.222 3.221 5 40 CGBB C[C@@]1(c2ccccc2)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]21 101424052 NNEFSNCOOGBWSC-XIRDDKMYSA-N 294.310 3.285 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc12 73641990 DCCQTVCJSYGINH-UHFFFAOYSA-N 298.254 3.190 5 40 CGBB Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2)c1C 6029470 PBQDEVWOOGANFX-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 3885683 AKEPGVUQZMXFOD-UHFFFAOYSA-N 278.695 3.409 5 40 CGBB O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])cc1 65663662 HBTGYTMFCQDSDB-UHFFFAOYSA-N 277.301 3.056 5 40 CGBB O=c1ccc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2o1 30714823 RQMMWXCTOSWGAQ-UHFFFAOYSA-N 281.267 3.292 5 40 CGBB Cc1c(N)cccc1-c1nc2cc([N+](=O)[O-])ccc2o1 216926034 QAPUCXFUTLFGPR-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB CC(C)Cn1cc(NCc2cccc([N+](=O)[O-])c2)cn1 90200070 HZYKTUQEZYDUAU-UHFFFAOYSA-N 274.324 3.059 5 40 CGBB O=[N+]([O-])c1cc2ccccc2cc1I 14628814 POLBDBRAOAFURG-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB in-vitro COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cn2)cc1 13011904 LNPASEHCUGVLJC-LLVKDONJSA-N 287.319 3.196 5 40 CGBB O=[N+]([O-])C1CCC(C2=CS[C@H]3CCCC[C@@H]3N2)CC1 1735535 OPNMOFNWYVWOHA-BUCSNLDVSA-N 282.409 3.311 5 40 CGBB Cc1noc(C)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 47220978 RCIXVWBXNSDTQU-UHFFFAOYSA-N 295.682 3.105 5 40 CGBB O=Cc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1 5827526 JKVOPUGGMWPFOI-UHFFFAOYSA-N 257.676 3.147 5 40 CGBB O=[N+]([O-])c1cccnc1NCc1ccc(Cl)cc1 20135268 QJOVPRXBSUNPRO-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCCCC1 32819999 YPWPQEOTOGUCOR-UHFFFAOYSA-N 287.319 3.092 5 40 CGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 27356663 JAKMMGQZVRQIKY-UHFFFAOYSA-N 285.303 3.259 5 40 CGBB O=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1 2627185 FWBKRKRIEVYPPP-UHFFFAOYSA-N 281.271 3.117 5 40 CGBB O=c1[nH]c2ccccc2c2nnc(-c3ccccc3)cc12 6666568 IJKWMBDHVKONDQ-UHFFFAOYSA-N 273.295 3.138 5 40 CGBB O=C(c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 71163764 ALOZRIAVASXXGE-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB O=[N+]([O-])c1c(N[C@H]2CCc3ccccc32)nc2ccccn12 58406532 QBJMAOHDUDVZQU-ZDUSSCGKSA-N 294.314 3.342 5 40 CGBB O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1 8419018 VQLAMHXKKXYCEO-UHFFFAOYSA-N 299.330 3.175 5 40 CGBB Cc1ccncc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 69777416 GDMDGDBEERKOML-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB C[C@@H](Sc1cccc[n+]1[O-])c1cccc([N+](=O)[O-])c1 26592691 HDELJLKBCQFDHU-SNVBAGLBSA-N 276.317 3.082 5 40 CGBB CN(c1ccc([N+](=O)[O-])cc1C(=O)O)C1CCCCC1 19844971 JEUXTFIBUNJFBM-UHFFFAOYSA-N 278.308 3.062 5 40 CGBB Cc1ccc([N+](=O)[O-])c(N[C@@H](C)COCC(F)(F)F)c1 88715809 YNSXHGVMGXUNJW-VIFPVBQESA-N 292.257 3.283 5 40 CGBB CN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 9313579 APOXJCACQZNCKH-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB COc1ccc([C@@H](O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 226292400 JDPFBBPMOYEEBO-MRXNPFEDSA-N 287.315 3.302 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl 91252365 QAVLVSIYNZSAEF-UHFFFAOYSA-N 270.550 3.175 5 40 CGBB Cc1ccc(CNC(=S)c2ccc([N+](=O)[O-])cc2)cc1 9188158 OHXCNUBRHVFBJY-UHFFFAOYSA-N 286.356 3.369 5 40 CGBB Cc1cccc(C(=O)N[C@@H](C)CCC(C)C)c1[N+](=O)[O-] 3486891 IAGOFDHXQHOVRV-LBPRGKRZSA-N 278.352 3.458 5 40 CGBB O=[N+]([O-])c1ccc(N(Cc2cccs2)C2CC2)nc1 12909462 VHKCRVKCVPLBLU-UHFFFAOYSA-N 275.333 3.220 5 40 CGBB CCc1cc([N+](=O)[O-])ccc1N(CC)C(=O)C(F)(F)F 226314992 VBQOOHCJZWBZFJ-UHFFFAOYSA-N 290.241 3.072 5 40 CGBB Cc1nc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 10643055 QEODXFJCTXSSSH-QPJJXVBHSA-N 289.316 3.012 5 40 CGBB Cc1cccc([N+](=O)[O-])c1NC(=O)NC1CCCCC1 6924625 QKAQZRSHDNXVJE-UHFFFAOYSA-N 277.324 3.357 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(OCc2cscn2)c1 93307891 UWIZQLJDEPLFJL-UHFFFAOYSA-N 270.697 3.284 5 40 CGBB Cc1nc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 96476423 NMEAJDNBIUVLOR-SNVBAGLBSA-N 291.376 3.253 5 40 CGBB COc1ccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 1578114 ASQILWIGQHHKOO-GDNBJRDFSA-N 299.282 3.229 5 40 CGBB CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 20298522 SWBPZUGVLXPNAL-MRVPVSSYSA-N 270.716 3.023 5 40 CGBB CC1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 225593 RFGCJYYPTFAWBC-UHFFFAOYSA-N 263.293 3.330 5 40 CGBB COc1ccccc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 12137860 JXQPBVFDCDZEQU-UHFFFAOYSA-N 297.270 3.320 5 40 CGBB Cc1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 3554512 BHRBRUPATWLSPK-ZHACJKMWSA-N 296.326 3.233 5 40 CGBB CN(C)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921451 HWERLAXQMNNFPZ-FOWTUZBSSA-N 296.326 3.224 5 40 CGBB O=[N+]([O-])c1c(Cl)nc2c([N+](=O)[O-])cccc2c1Cl 95098225 JEASBNOGJSYDAQ-UHFFFAOYSA-N 288.046 3.358 5 40 CGBB O=Cc1ccc2oc(C(=O)c3cccc([N+](=O)[O-])c3)cc2c1 163454 IWAIXMUXSLYQRE-UHFFFAOYSA-N 295.250 3.385 5 40 CGBB CCOC(=O)c1cc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 509168 QXXNXLCLMWFBBX-UHFFFAOYSA-N 296.666 3.080 5 40 CGBB O=c1c2c3ccccc3[nH]c2c2cccc3c2n1CC3 4174799 QFVCUWRAJGNVLD-UHFFFAOYSA-N 260.296 3.192 5 40 CGBB in-vitro CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 8772472 BXEOZXAWQZCGMA-UHFFFAOYSA-N 287.319 3.300 5 40 CGBB O=[N+]([O-])c1ccc(/C=C/c2ccncn2)cc1Cl 126497944 LXXSQDPSKXGDIW-HNQUOIGGSA-N 261.668 3.209 5 40 CGBB CC[N+](C)(CC)CCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 1673481 PZLBVPITADZBAL-IRXDYDNUSA-N 268.489 3.130 5 40 CGBB CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@@H]2C 491248 UTSXCLQQDIBOGU-JFRPJSFFSA-N 276.444 3.256 5 40 CGBB biogenic C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CC[C@H]1C2 104263275 ZOBBQGZZHLXAHB-BLFANLJRSA-N 261.325 3.226 5 40 CGBB O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(F)c1 95215753 KRCFPEFERQFWDW-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C/c2ccncn2)c1 16931276 SYRWVMXADLIYPA-OWOJBTEDSA-N 261.668 3.209 5 40 CGBB CC(C)c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 8729180 GXMSFFXPIYAYBC-UHFFFAOYSA-N 267.672 3.422 5 40 CGBB CC[C@H](NCc1ccccn1)c1cccc([N+](=O)[O-])c1 37010471 ITOPSUWJJYOYLF-HNNXBMFYSA-N 271.320 3.231 5 40 CGBB COc1ccccc1/C=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 17379533 LYOFGDFZPCZEQI-MDWZMJQESA-N 296.282 3.096 5 40 CGBB C[N+](C)([O-])[C@H]1CCCC[C@@H]([N+](C)(C)[O-])CCCC1 100357291 FGQDRXHASLSPIL-HDJSIYSDSA-N 258.406 3.006 5 40 CGBB COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1 408541627 DTOPMWRGSFZRMM-SREVYHEPSA-N 260.249 3.070 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)C)cc1 17024753 NQUJCTYHNIKYRZ-UHFFFAOYSA-N 299.330 3.222 5 40 CGBB CCc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])s1 36395544 DXKJEDCBEUJLCE-UHFFFAOYSA-N 290.344 3.149 5 40 CGBB COC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 226256764 DREWHXQWWAHPNV-VQHVLOKHSA-N 273.244 3.041 5 40 CGBB Cc1csc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)n1 273305431 MLVRHZBFWGJOFM-VIFPVBQESA-N 292.364 3.279 5 40 CGBB O=C(O)c1ccc(N2CCCc3ccccc32)c([N+](=O)[O-])c1 42783479 WHHGCGKAWLPAJJ-UHFFFAOYSA-N 298.298 3.377 5 40 CGBB CCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc1c23 41124585 SLXAPFKAYRZQQD-UHFFFAOYSA-N 256.261 3.118 5 40 CGBB CCNc1ccnc(COc2ccc([N+](=O)[O-])cc2)c1 89977934 VJUCTMAJUKSMDN-UHFFFAOYSA-N 273.292 3.001 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1CCCCC1 3537199 DZFFTDJXZFFXLH-MDZDMXLPSA-N 288.347 3.305 5 40 CGBB CC(C)(C)c1n[nH]c(Sc2ccsc2[N+](=O)[O-])n1 32911828 GVPFRCALOGQQPF-UHFFFAOYSA-N 284.366 3.223 5 40 CGBB C[C@@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cn1 12528341 NPCOQTRRRMABPF-SNVBAGLBSA-N 255.277 3.073 5 40 CGBB O=C(OC[C@H]1C[C@H]2CC[C@H]1C2)c1csc([N+](=O)[O-])c1 107333988 CQRFSZOLLHRUKT-LPEHRKFASA-N 281.333 3.249 5 40 CGBB CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 9647254 MTNVPAGUUIGCPS-UHFFFAOYSA-N 294.694 3.258 5 40 CGBB Cc1ccc(C)c(C(=O)COc2ccccc2[N+](=O)[O-])c1 3438426 HCUCHSNADJUAJW-UHFFFAOYSA-N 285.299 3.473 5 40 CGBB CCc1ccc([C@H](O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292375 AQPUMNRROBRTLZ-INIZCTEOSA-N 287.315 3.248 5 40 CGBB Cc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 5418412 ZKPWAHWZQCHVQZ-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 180472 RKQDYYVNSLKFON-UHFFFAOYSA-N 289.316 3.067 5 40 CGBB C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40150049 XNKSAFXXNIRYIJ-SNVBAGLBSA-N 289.335 3.390 5 40 CGBB CCCCNc1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12 5555632 AGWLXHPUBXRYKK-UHFFFAOYSA-N 289.335 3.142 5 40 CGBB O=C(Cc1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 8286378 ZAVIELAFXOKHBT-UHFFFAOYSA-N 295.298 3.257 5 40 CGBB CCCNC(=O)Nc1cc2ccncc2c2ncccc12 408975861 OKQXNQGHYHRORP-UHFFFAOYSA-N 280.331 3.315 5 40 CGBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 36562537 LUWYKQFRZUBSLH-HNNXBMFYSA-N 284.315 3.476 5 40 CGBB C[N+]1(C)CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 338172 NXTWYDPQNKVDLP-HNNXBMFYSA-N 294.374 3.312 5 40 CGBB biogenic,in-vitro COC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1 70462187 UCTPESMIKUCHQG-UHFFFAOYSA-N 298.726 3.025 5 40 CGBB C[C@H]1CCCCN1c1c([N+](=O)[O-])c(=O)oc2ccccc12 73635674 XZTQMWYHZAIPHH-JTQLQIEISA-N 288.303 3.080 5 40 CGBB CN(C)C(=S)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 40542508 WLSLDRGNOJTSKC-UHFFFAOYSA-N 276.317 3.092 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 566788 BKKSKIXTCATTGD-UHFFFAOYSA-N 275.235 3.125 5 40 CGBB Cc1cc(NC(=O)c2ccoc2)c2cc([N+](=O)[O-])ccc2n1 97142425 HKFCZICXICWDKO-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB Cc1ccccc1[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C 47331225 JWEADXZNMNAXIK-JTQLQIEISA-N 274.324 3.118 5 40 CGBB COc1ccc([N+](=O)[O-])c2sc(C(=O)O)c(Cl)c12 228967135 DSWQXGROTJTCQZ-UHFFFAOYSA-N 287.680 3.170 5 40 CGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC1 161763 VHUUZDSFAUSHTO-UHFFFAOYSA-N 283.715 3.266 5 40 CGBB CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)O[C@@H](C)C1 226315774 CCIOICIIFLCIHC-UWVGGRQHSA-N 298.770 3.424 5 40 CGBB Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O 175742 HPXYNQDLLRNQEM-UHFFFAOYSA-N 287.322 3.326 5 40 CGBB O=C1Nc2ccccc2/C1=C\c1csc([N+](=O)[O-])c1 48578974 LRBYHOIHYZMCON-BJMVGYQFSA-N 272.285 3.149 5 40 CGBB Cc1n[nH]c(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] 8994382 XUACXNMCCDZZNB-UHFFFAOYSA-N 266.688 3.332 5 40 CGBB Cc1[nH]c(=O)c2oc3cc4ccccc4cc3c2c1C(=O)O 5503800 YAMFJLJQNZGQRO-UHFFFAOYSA-N 293.278 3.434 5 40 CGBB COc1cccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)c1 1748115 YYRHLLBVFIMNOJ-DHDCSXOGSA-N 299.282 3.229 5 40 CGBB Cc1ccccc1COc1ccc([N+](=O)[O-])cc1C(=O)O 35414882 FUVODKMTRWMVMY-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB CC(C)(C)c1nc(CNc2ccc(F)cc2[N+](=O)[O-])no1 75092145 VBUXJPXEGJDZEI-UHFFFAOYSA-N 294.286 3.027 5 40 CGBB COCc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C=CCC1 83914624 VIICDLNYWKMCMV-LLVKDONJSA-N 290.319 3.036 5 40 CGBB CC1(C)OC(c2ccc([N+](=O)[O-])cc2)OC1(C)C 5523090 LZEKVKFGECEUKA-UHFFFAOYSA-N 251.282 3.197 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)nc1 23652375 LFMPMGMOZZZSDX-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB COc1ccc(C)cc1C(=O)c1cccc([N+](=O)[O-])c1 5793454 ZKDXHSMTAWVMQS-UHFFFAOYSA-N 271.272 3.143 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccc(N3CCOCC3)s2)cc1 16429580 OVHFSUREOPITDV-UHFFFAOYSA-N 290.344 3.160 5 40 CGBB Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 3845535 NSVAVOSVRIFNMF-DAFODLJHSA-N 285.259 3.256 5 40 CGBB CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4994819 VRTHQXNFFIFWHS-UHFFFAOYSA-N 271.276 3.263 5 40 CGBB C[C@H]1Cc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 13596337 TYEQNZMLXOTUHL-NSHDSACASA-N 282.299 3.186 5 40 CGBB CC(C)c1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1 165674235 JCAMLYAKKPJZOJ-UHFFFAOYSA-N 276.214 3.219 5 40 CGBB Cc1cc(F)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 6500920 RTMNYELOWQOICB-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CCCc1n[nH]c(SCc2cccc([N+](=O)[O-])c2C)n1 40543252 ZATPGBCYPMZYIJ-UHFFFAOYSA-N 292.364 3.266 5 40 CGBB CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O 3848505 DBCUWRNJOMRLSX-UHFFFAOYSA-N 289.287 3.003 5 40 CGBB biogenic Cc1c2ccccc2c([C@@H](N)C(=O)O)c2ccccc12 199809060 QEXRSARWHMFKSF-MRXNPFEDSA-N 265.312 3.386 5 40 CGBB O=[N+]([O-])c1cc(Cl)c(N2CCCC2)cc1NC1CC1 20428681 XBSRNVQYXZGWPV-UHFFFAOYSA-N 281.743 3.423 5 40 CGBB CC(C)C[C@H](C)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 1727665 RRPNEQZFHPPPDM-JGVFFNPUSA-N 292.590 3.453 5 40 CGBB Cc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 28651925 DKGAUUAVZGGUIJ-UHFFFAOYSA-N 267.288 3.301 5 40 CGBB COc1ccc(C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 226292233 DJJKLKUXJXHIKX-UHFFFAOYSA-N 285.299 3.451 5 40 CGBB CCc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)O[C@H](C)C1 226315768 CCIOICIIFLCIHC-AOOOYVTPSA-N 298.770 3.424 5 40 CGBB O=[N+]([O-])C1CCC(C2=CS[C@H]3CCCC[C@H]3N2)CC1 1735534 OPNMOFNWYVWOHA-YZVRNYIASA-N 282.409 3.311 5 40 CGBB CCCCNC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 20030819 WRLJTLPRHTZLNZ-UHFFFAOYSA-N 294.336 3.126 5 40 CGBB Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(C=O)n2c1 2599660 NAOIFZMTEGMMGD-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB CC(=O)Nc1ccc2[nH]c(=O)c3cc(Cl)ccc3c2c1 8627891 XWRQGESLJXCKTI-UHFFFAOYSA-N 286.718 3.293 5 40 CGBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccncc3)oc12 73639246 CEIUCSGZRLWEDP-UHFFFAOYSA-N 255.233 3.106 5 40 CGBB Cc1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 45886734 XYWZUXQXLUANBJ-SNVBAGLBSA-N 279.296 3.190 5 40 CGBB Cc1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)cc1C 226291464 DOEFDDZJWYMHQG-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1Cl 7068191 GWJVFAFHYZCXQB-FNORWQNLSA-N 292.678 3.493 5 40 CGBB CCc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 4812715 CNJLPPPOMZTHSV-UHFFFAOYSA-N 284.275 3.437 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccc1)CC2 31687545 AGFPKVWDPOICML-UHFFFAOYSA-N 268.316 3.153 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1CCCCC1 45799410 ZDUSKISBVRKZIC-UHFFFAOYSA-N 292.335 3.150 5 40 CGBB O=[N+]([O-])c1cccc([C@@H](O)Cc2ccc3ccccc3n2)c1 8581502 KFAZYKIZFLTBCT-KRWDZBQOSA-N 294.310 3.419 5 40 CGBB COc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1C 303909 CMBAUJJFZRLSON-UHFFFAOYSA-N 287.271 3.131 5 40 CGBB Cc1c(NC(=O)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] 8266264 GMHAYLOVIVPKGU-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB O=[N+]([O-])c1cccc(-c2nc(-c3cccs3)no2)c1 109460789 PEJDGWDNMGYURH-UHFFFAOYSA-N 273.273 3.373 5 40 CGBB CCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCC 3882232 UJDGWRRYNYHJJD-UHFFFAOYSA-N 284.268 3.081 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CC1 4687611 CZBSAUXFQLIXPQ-UHFFFAOYSA-N 291.185 3.096 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 7642671 COATWQXBCUZTKO-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB COc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 252483535 FDRVNTZBWDXYME-UHFFFAOYSA-N 270.288 3.298 5 40 CGBB O=[N+]([O-])c1cccc([S@@](=O)NCCC2=CCCCC2)c1 7602781 RGDCYPQCVYMJBC-FQEVSTJZSA-N 294.376 3.098 5 40 CGBB O=[N+]([O-])c1ccnn1Cc1c(Cl)ccc2cccnc12 48706005 ZDJWMZQUAOPWGS-UHFFFAOYSA-N 288.694 3.041 5 40 CGBB O=[N+]([O-])c1cc(OC(F)F)ccc1C(F)(F)F 95215685 GVXBMRAPMUUKPQ-UHFFFAOYSA-N 257.114 3.215 5 40 CGBB COc1cc(C=O)ccc1O/C=C/c1ccc([N+](=O)[O-])o1 162098 SOGWACSPDWWJSR-VOTSOKGWSA-N 289.243 3.059 5 40 CGBB C[C@H]1OC(c2c(Cl)cccc2[N+](=O)[O-])O[C@@H]1C 1591134 KQYZVALQCRXSTA-RNFRBKRXSA-N 257.673 3.071 5 40 CGBB CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 4859552 AIOAPRKFNGAHAF-UHFFFAOYSA-N 279.296 3.272 5 40 CGBB O=[N+]([O-])c1cccc(OC(F)(F)Cl)c1Cl 95215571 RVDLDYAROKXZRX-UHFFFAOYSA-N 258.007 3.416 5 40 CGBB CCn1c(=S)[nH]c2cc3ccccc3cc2c1=O 5266909 KBADWLPCUBJALR-UHFFFAOYSA-N 256.330 3.232 5 40 CGBB C[C@H](Sc1nncs1)c1cccc([N+](=O)[O-])c1 7815972 ZWTRZDUZXYJUBJ-ZETCQYMHSA-N 267.335 3.300 5 40 CGBB O=[N+]([O-])c1ccc(C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 15356979 OLDMLYOVKIBLLL-RJAIZQQDSA-N 273.332 3.178 5 40 CGBB O=C1c2cccnc2-c2nccc3c2c1nc1ccccc13 1645485 BTAIBIXHXSXUFN-UHFFFAOYSA-N 283.290 3.389 5 40 CGBB biogenic O=[N+]([O-])c1cccnc1Oc1ccc2c(c1)CCC2 7186525 ZGBLGMXPBJRROM-UHFFFAOYSA-N 256.261 3.271 5 40 CGBB COc1ccc(-c2nc3ccc([N+](=O)[O-])cn3c2C)cc1 82238029 LCOALWRTWBVRRL-UHFFFAOYSA-N 283.287 3.227 5 40 CGBB COc1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 45886748 ZWKGOPFNLTWZQA-UHFFFAOYSA-N 295.295 3.256 5 40 CGBB CC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3121491 LSVKWLBIKOYJJX-INIZCTEOSA-N 299.282 3.082 5 40 CGBB biogenic CCCC[C@@H](CC)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] 24765944 RYDBOSPXRAKBOI-LLVKDONJSA-N 293.367 3.322 5 40 CGBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+]1(C)CCCC1)C2 100732647 DLBBKYDCFBRYEZ-UXLLHSPISA-N 266.449 3.458 5 40 CGBB O=[N+]([O-])c1ccc2cnn(C(=S)Nc3ccccc3)c2c1 6276910 VGNWBBTZGAQDHQ-UHFFFAOYSA-N 298.327 3.190 5 40 CGBB Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 3561993 FKVWOXZMHFVJDM-UHFFFAOYSA-N 297.723 3.265 5 40 CGBB O=C(c1ccc(F)c([N+](=O)[O-])c1)N(C1CCCC1)C1CC1 65621098 AWUNBFHBZZECHM-UHFFFAOYSA-N 292.310 3.281 5 40 CGBB CC(C)(C)OC(=O)NC1(c2ccc([N+](=O)[O-])cc2)CCC1 95097992 TWJSBMRRGUPIPW-UHFFFAOYSA-N 292.335 3.499 5 40 CGBB CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 4078614 WVFFTWMQRQELFR-UHFFFAOYSA-N 276.317 3.471 5 40 CGBB CC[N+](C)(CC)CCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 1673480 PZLBVPITADZBAL-IAGOWNOFSA-N 268.489 3.130 5 40 CGBB O=[N+]([O-])c1ccc(CNc2ncnc3ccccc23)cc1 37715787 KGGZVZVJALMBMY-UHFFFAOYSA-N 280.287 3.150 5 40 CGBB Cc1ccc(C)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 2833581 UVCWYPUAGFGJCI-UHFFFAOYSA-N 271.272 3.431 5 40 CGBB COc1cccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 38126269 AHMRQMSYPZMSQQ-UHFFFAOYSA-N 271.272 3.029 5 40 CGBB CC(=O)O[C@@H]1[C@@H]2CCC[C@@H]1[C@@H]([N+]1(C)CCCCC1)CC2 217352463 KWKSYISARSAIJR-WCXIOVBPSA-N 280.432 3.127 5 40 CGBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(N)cc3)oc12 216925424 WJRVTXNPCIVPAV-UHFFFAOYSA-N 269.260 3.294 5 40 CGBB COC(=O)/C=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 226257377 XVBSAZKBQVZFDK-SOFGYWHQSA-N 287.271 3.349 5 40 CGBB O=[N+]([O-])c1cccnc1Nc1ccc2c(c1)CCC2 7186365 UPZPUZGQQDEECG-UHFFFAOYSA-N 255.277 3.222 5 40 CGBB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 78998250 PKEUUZGGOFCNDL-SECBINFHSA-N 299.286 3.202 5 40 CGBB O=C(NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 3562289 IHDKAALQXUEFCB-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB O=[N+]([O-])c1ccc2nc(NCCCO)c3ccccc3c2c1 31719276 HRKWJOCWEBGVFH-UHFFFAOYSA-N 297.314 3.091 5 40 CGBB Cc1c(OCc2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] 59012412 KSUVDWSQROVRFB-UHFFFAOYSA-N 291.307 3.163 5 40 CGBB CC[C@]1(C)CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 79102112 PRHYLBIKCRRTLV-KXPUMZMLSA-N 288.347 3.257 5 40 CGBB Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 4905300 OSSMYPCKJASJKJ-UHFFFAOYSA-N 272.260 3.345 5 40 CGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cc(Cl)cn1 22637655 WJUKSGKJEJDTEZ-UHFFFAOYSA-N 291.616 3.453 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 2392550 QWTRXOQFGKHZBP-UHFFFAOYSA-N 261.664 3.479 5 40 CGBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 35414887 FMXDVYITXNFSSX-UHFFFAOYSA-N 287.271 3.180 5 40 CGBB O=S(=O)(O)c1ccc2c(ccc3ccccc32)c1 1641031 LUDIBEMMLLZFBF-UHFFFAOYSA-N 258.298 3.240 5 40 CGBB CCOc1ccc(Nc2ncccc2[N+](=O)[O-])cc1OC 7187797 YZCFLLWTJALILV-UHFFFAOYSA-N 289.291 3.141 5 40 CGBB Cc1ccc(OCc2cccc([N+](=O)[O-])c2C)cn1 72073240 CDWLZQHITRZUSN-UHFFFAOYSA-N 258.277 3.186 5 40 CGBB Cc1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 8286396 HLYNCSFZXIBKDJ-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=[N+]([O-])c1c[nH]nc1-c1ccc(Cl)cc1Cl 34440675 ZTBKRERULYZGHA-UHFFFAOYSA-N 258.064 3.292 5 40 CGBB CCN(CC)c1cc(NC(C)=O)c(Cl)cc1[N+](=O)[O-] 45891663 NJTBQEFOCFFZPH-UHFFFAOYSA-N 285.731 3.053 5 40 CGBB O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(CO)c1 191945918 NRJCUCDGRGXTHC-UHFFFAOYSA-N 292.722 3.353 5 40 CGBB O=C(O[C@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 95611369 MHCARQORFIQGRY-AWEZNQCLSA-N 269.256 3.049 5 40 CGBB Cc1c(-c2ccccc2)[nH]c(-c2ccccc2[N+](=O)[O-])[n+]1[O-] 5535725 GUFZOFXFQQUICD-UHFFFAOYSA-N 295.298 3.199 5 40 CGBB Cc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2795895 AZQSVPILAAHFRR-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] 5536561 CYSPJMPZNCQSNP-RYUDHWBXSA-N 276.336 3.306 5 40 CGBB Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 311561 SGWLTJVSUHBTTG-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB C[C@@H](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCC1 95463009 OLONBPWGQRFQEI-LBPRGKRZSA-N 278.352 3.196 5 40 CGBB O=C(/C=C/c1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 2749004 FACQCRZZMWBMOL-GQCTYLIASA-N 292.291 3.447 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C1CC=CC1 84086161 WVDZSBMBESVBAU-UHFFFAOYSA-N 260.293 3.116 5 40 CGBB O=[N+]([O-])/C(=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 1714357 ILMKYKYICJNYPH-UVTDQMKNSA-N 270.244 3.370 5 40 CGBB Cc1ccnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 38990 QQNPAXBOTBDGML-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1ccc([C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])o1 21673821 HSQTWJCCHVBLOV-JTQLQIEISA-N 286.291 3.317 5 40 CGBB O=C(Nc1nccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4771226 CIVTZHFTSBIWJJ-UHFFFAOYSA-N 298.711 3.349 5 40 CGBB Cc1cc(SCc2ccc([N+](=O)[O-])cc2)nc(C)n1 12016899 ZGDWZWZWKMIAHC-UHFFFAOYSA-N 275.333 3.294 5 40 CGBB O=[N+]([O-])[C@H]1CCC[C@@H](C2=CS[C@@H]3CCCC[C@@H]3N2)C1 5328190 GESRXNOUXNOQGC-OWTLIXCDSA-N 282.409 3.311 5 40 CGBB CCCCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] 5417661 CLOIKZABIUWBEE-UHFFFAOYSA-N 250.298 3.340 5 40 CGBB O=c1[nH]c2ccccc2nc1/C=C\c1cccc([N+](=O)[O-])c1 17290097 MIDHEQVEQSEWKD-HJWRWDBZSA-N 293.282 3.002 5 40 CGBB CC(=O)n1nc(-c2ccccc2)c([N+](=O)[O-])c1C(F)(F)F 2379309 SJVMBPNOGVYEFU-UHFFFAOYSA-N 299.208 3.137 5 40 CGBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC(C)C 32744444 TYDHUGLQFBGUSK-LLVKDONJSA-N 294.351 3.158 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 12822680 QXUPCJZWFWZDJM-UHFFFAOYSA-N 297.314 3.185 5 40 CGBB CCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4054450 XUDHZSFABKEGLF-UHFFFAOYSA-N 291.395 3.297 5 40 CGBB CNC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408994154 GPGYEJTUEIMSFB-UHFFFAOYSA-N 291.314 3.016 5 40 CGBB Cc1c2ccccc2c([C@H](N)C(=O)O)c2ccccc12 72196831 QEXRSARWHMFKSF-INIZCTEOSA-N 265.312 3.386 5 40 CGBB CC(C)[C@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] 78903492 JXWQFJQZMXQHLI-JTQLQIEISA-N 272.732 3.067 5 40 CGBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccccn3)nc2c1 6694806 NRZSDZHUBUQWFJ-UHFFFAOYSA-N 286.316 3.158 5 40 CGBB O=C1OCC(c2ccccc2)=C1c1ccc([N+](=O)[O-])cc1 3291917 OZHAONKCGXHDBZ-UHFFFAOYSA-N 281.267 3.062 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F 13001021 CQZKZXHBQZHDDI-UHFFFAOYSA-N 292.241 3.054 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(OCC(F)(F)F)c1 84199252 BQSKXLFOAKIURR-UHFFFAOYSA-N 255.579 3.189 5 40 CGBB O=[N+]([O-])c1c(Cl)sc(NCC2CC2)c1[N+](=O)[O-] 5184872 BAHQWUMTFRNEPA-UHFFFAOYSA-N 277.689 3.040 5 40 CGBB O=[N+]([O-])c1cccnc1NC1C2CC3CC(C2)CC1C3 20052248 QNXUKGBGSJXVSK-UHFFFAOYSA-N 273.336 3.226 5 40 CGBB CC(C)NC(=S)Nc1cc2cccnc2c2ncccc12 6349322 JCLVBFCVZKEUMP-UHFFFAOYSA-N 296.399 3.478 5 40 CGBB C[N+](C)(C)Cc1c(-c2ccccc2)nc2sccn12 13138227 VKXMDBNBTPJZBW-UHFFFAOYSA-N 272.397 3.269 5 40 CGBB CCC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 9218883 DFPXWILSOXCJJN-UHFFFAOYSA-N 270.716 3.167 5 40 CGBB CCOc1ccccc1CNc1ncccc1[N+](=O)[O-] 19875073 FBWFACVCLKUFOP-UHFFFAOYSA-N 273.292 3.001 5 40 CGBB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 43879491 FEWDUDHZWVICKS-WDEREUQCSA-N 291.303 3.059 5 40 CGBB O=C(COc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 6546172 QGQYOYBOXUWYDZ-UHFFFAOYSA-N 296.282 3.338 5 40 CGBB O=C(O)c1sc2c([N+](=O)[O-])cccc2c1Cl 40545603 QBHQCJUMDOVUPX-UHFFFAOYSA-N 257.654 3.161 5 40 CGBB Cc1ccc(CNCc2ccccc2)cc1[N+](=O)[O-] 6940447 ZHMSNWNAFWEPMA-UHFFFAOYSA-N 256.305 3.193 5 40 CGBB Cc1cc(NCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 42244415 NFWOQTZBPXITTJ-UHFFFAOYSA-N 286.287 3.244 5 40 CGBB COc1cc(-c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 1686629 PIYBVUXDFLSBHN-UHFFFAOYSA-N 274.232 3.179 5 40 CGBB CC[N+](CC)(CC)CCC[n+]1ccc2ccccc2c1 1998278 UMEBHWOQWNMZNC-UHFFFAOYSA-N 272.436 3.394 5 40 CGBB CCOC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 40174191 NZGPKFULPQRJOB-UHFFFAOYSA-N 291.259 3.040 5 40 CGBB O=C1c2ccccc2CC[C@]12O[C@H]2c1ccc([N+](=O)[O-])cc1 1744922 JJXUABQDTODGDH-IRXDYDNUSA-N 295.294 3.234 5 40 CGBB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(CO)c1O 96288818 HMEYPAJCDNCCLJ-UHFFFAOYSA-N 293.706 3.037 5 40 CGBB O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])s1 12735434 IKROZGLCRCGLBN-UHFFFAOYSA-N 266.253 3.048 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5CC=C[C@@H]54)[C@H]32)cc1 3901028 MZGICHGTRFQXQA-KXKVQDCLSA-N 296.330 3.361 5 40 CGBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1Cl 32152005 RUZCDLMYLTUSGB-UHFFFAOYSA-N 297.719 3.081 5 40 CGBB O=[N+]([O-])c1ccc(OCc2ccccc2)c(S)c1 6529625 IKWZPZBLGGOXNT-UHFFFAOYSA-N 261.302 3.463 5 40 CGBB in-vitro CC(C)(CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-] 100136082 BJPQXEZVCKJQEG-JTNHKYCSSA-N 255.358 3.273 5 40 CGBB in-vitro O=C(c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 90623680 HZVYZDPDMJLFJW-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB CC(C)c1c(C2CC2)[nH]c2cc([N+](=O)[O-])ccc2c1=O 685938655 YKHCCDIITBNEFP-UHFFFAOYSA-N 272.304 3.437 5 40 CGBB NC(=O)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 16384428 RRFODZAANGOJIZ-UHFFFAOYSA-N 280.349 3.119 5 40 CGBB Cc1ccc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1 1508878 WIOKCUYBBSZAOG-UHFFFAOYSA-N 255.273 3.443 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1Oc1cccnc1 7902666 KIDNUZYSIYKULM-UHFFFAOYSA-N 250.641 3.436 5 40 CGBB CC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 1906952 WVLIXAVJELRRRP-UHFFFAOYSA-N 275.311 3.327 5 40 CGBB O=C(Nc1ccc2ccccc2c1[N+](=O)[O-])C1CCC1 4666287 OATNIOOXEJEYEV-UHFFFAOYSA-N 270.288 3.487 5 40 CGBB CCOc1cc(NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 1772714921 FKEYBVCNQHXBHF-UHFFFAOYSA-N 282.296 3.341 5 40 CGBB O=C1c2cc(F)ccc2-c2c1cc(F)cc2[N+](=O)[O-] 1592342 FRQXIUNDGJHIMF-UHFFFAOYSA-N 261.183 3.084 5 40 CGBB CC(=O)O[C@H](C[N+]1(C)CCCCCC1)c1ccccc1 185817 TWZTWUWHHWIWNW-QGZVFWFLSA-N 276.400 3.311 5 40 CGBB COc1ccc2sc3ccccc3c(=O)c2c1OC 4174677 LZAPWMRTQFPWQE-UHFFFAOYSA-N 272.325 3.432 5 40 CGBB O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 72265953 JEOWEMPCQGMUDQ-UHFFFAOYSA-N 281.140 3.125 5 40 CGBB COc1ccc(Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 95629667 CKJWDLCHHHACAN-UHFFFAOYSA-N 283.287 3.001 5 40 CGBB CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1 95414962 AUAPWTXMCHRASI-LBPRGKRZSA-N 289.339 3.078 5 40 CGBB COc1ccccc1/C=C\c1onc(C)c1[N+](=O)[O-] 5921383 QRDFNIVYTDSVQX-FPLPWBNLSA-N 260.249 3.070 5 40 CGBB CN(C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1 26720064 FTIZNOAXTTYPAG-AWEZNQCLSA-N 291.376 3.371 5 40 CGBB COc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2o1 61997445 UFOUARFMCFYGOE-UHFFFAOYSA-N 270.244 3.412 5 40 CGBB CCC(CC)(CC(=O)O)C(=O)c1cccc([N+](=O)[O-])c1 39319979 LZZGAXZTDQAHHH-UHFFFAOYSA-N 279.292 3.059 5 40 CGBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+]1(C)CCCC1)C2 4350114 DLBBKYDCFBRYEZ-ZMSDIMECSA-N 266.449 3.458 5 40 CGBB C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1 156772 GEBWLJOOGXIBCH-MAUKXSAKSA-N 270.396 3.385 5 40 CGBB Cc1cccc(NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 1857775536 XYXSNQRACCDORV-UHFFFAOYSA-N 252.270 3.250 5 40 CGBB Cc1ccn2cc(CNc3ccccc3[N+](=O)[O-])nc2c1 58154712 UAGPXUGDZDTBIP-UHFFFAOYSA-N 282.303 3.163 5 40 CGBB CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(F)ccc1F 91549344 KDMIKDCIJGGVHM-UHFFFAOYSA-N 296.277 3.010 5 40 CGBB Cc1ccn2c(C=O)c(-c3ccc([N+](=O)[O-])cc3)nc2c1 4243366 FJULGNDKGMLSGJ-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB CC(C)(NCc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 80347288 YNTFRLMGQQRKHQ-UHFFFAOYSA-N 286.331 3.325 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1cccs1 19845116 REKABMKTQCKVOR-UHFFFAOYSA-N 292.316 3.009 5 40 CGBB Cc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)o1 12922978 YNRCVECNYQAMIV-UHFFFAOYSA-N 278.239 3.196 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 8919345 LVZUSTPGZTVFPA-UHFFFAOYSA-N 297.314 3.185 5 40 CGBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3cccc(F)c3)n2)c1 40164174 SEUHSTKVRGVUQW-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB O=[N+]([O-])c1cccnc1NCCc1c[nH]c2ccccc12 20135302 XZRKMLTVFCCYGB-UHFFFAOYSA-N 282.303 3.126 5 40 CGBB NC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 3411165 JIUUTDPANFTRQJ-UHFFFAOYSA-N 292.678 3.139 5 40 CGBB Cc1ccc(C(=O)NCC2=CCCCC2)cc1[N+](=O)[O-] 223381693 QNUMZQBAAXVEPO-UHFFFAOYSA-N 274.320 3.133 5 40 CGBB O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc32)nc2ccccn12 58406533 QBJMAOHDUDVZQU-CYBMUJFWSA-N 294.314 3.342 5 40 CGBB CCCCn1c(Cl)nc2cc([N+](=O)[O-])ccc21 256051786 KMLUNSRLSQVUPG-UHFFFAOYSA-N 253.689 3.398 5 40 CGBB CC[N+]1(CCOCC[N+]2(CC)CCCCC2)CCCCC1 5469484 JLDIGAFBAUKYGP-UHFFFAOYSA-N 298.515 3.044 5 40 CGBB Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3524019 ATXKVZGWARXJMS-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB COc1cc(C(F)(F)F)nc2ccc(C)c([N+](=O)[O-])c12 161455 JXZITCZYZVYHHV-UHFFFAOYSA-N 286.209 3.479 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@@H]21 8406592 PAYZXRVLYVNQGZ-DOMZBBRYSA-N 288.347 3.390 5 40 CGBB O=[N+]([O-])c1c(NCCC2CCCC2)nc2sccn12 103016614 YPTQOKJGEILDQL-UHFFFAOYSA-N 280.353 3.296 5 40 CGBB CC(C)CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 40465495 XEEGICGVLXPVQF-LLVKDONJSA-N 264.325 3.160 5 40 CGBB Cc1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])s2)c(C)o1 78308224 FXOPUSWBCPEFFL-ZDUSSCGKSA-N 296.348 3.186 5 40 CGBB Cc1c(O)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 3078383 SRSKCLFYEWYYHT-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1N1CCCCC1 4347648 DDOJRLHGOPCXFN-UHFFFAOYSA-N 285.687 3.147 5 40 CGBB CN(C)NC(=S)Nc1ccc2cc3ccccc3nc2c1 33742959 ASWBLXLAPVWNLT-UHFFFAOYSA-N 296.399 3.151 5 40 CGBB O=[N+]([O-])c1ccc(Br)cc1C(F)F 143783739 URUDZZHALBNCAP-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB CC(C)c1nnc(COc2cc([N+](=O)[O-])ccc2Cl)o1 96447832 HDHRGCSSOUSJPI-UHFFFAOYSA-N 297.698 3.334 5 40 CGBB CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 3069574 MIBRNBJERDATRJ-ZHACJKMWSA-N 288.347 3.399 5 40 CGBB CN1CC[C@@]23CC=CC[C@@H]2[C@@H]1Cc1ccc([N+](=O)[O-])cc13 5158870 TYALTDRESBQHEV-PVAVHDDUSA-N 284.359 3.059 5 40 CGBB CCC[C@@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 84740584 ZXGAJGQMXVHRTN-WCQYABFASA-N 263.341 3.395 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 5677077 OGSKPZMSEPYGKE-UHFFFAOYSA-N 280.261 3.388 5 40 CGBB C[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OCC1(C)C 1679856 UXTXZUGUFFSYSY-JOYOIKCWSA-N 251.282 3.055 5 40 CGBB Cc1c(NC(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] 8268115 FMZYFAYCUUWXFE-UHFFFAOYSA-N 288.278 3.224 5 40 CGBB COc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 44550816 ALBGTLCEMRDPLW-UHFFFAOYSA-N 269.260 3.147 5 40 CGBB CCCC[N+](CCCC)(CCCC)S(=O)(=O)O 165619954 YZJZNKDOSHAIFQ-UHFFFAOYSA-O 266.427 3.006 5 40 CGBB CCc1n[nH]c(Sc2c(Cl)cccc2[N+](=O)[O-])n1 70462290 UMKFWXYOWMKWAY-UHFFFAOYSA-N 284.728 3.080 5 40 CGBB COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 47004 YTRXYZQOCQHIMO-VMPITWQZSA-N 260.249 3.070 5 40 CGBB O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)c(CO)c1 35414920 MEJIUSZXLUZKNC-UHFFFAOYSA-N 293.706 3.320 5 40 CGBB O=[N+]([O-])c1c(Nc2cccc(F)c2)ccc2nonc12 4974110 QMETXUTZEYHEJB-UHFFFAOYSA-N 274.211 3.014 5 40 CGBB in-vitro CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 225990101 RZLWMMGJGDRFPD-UHFFFAOYSA-N 296.326 3.289 5 40 CGBB CCCc1ccccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 24501156 UCAXWYGMUAWYNQ-UHFFFAOYSA-N 299.330 3.382 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccc(N3CCOCC3)s2)s1 16430816 KLPBLXXUVAGHDC-UHFFFAOYSA-N 296.373 3.221 5 40 CGBB O=[N+]([O-])c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 3157403 LCSJIELLQPDAGL-UHFFFAOYSA-N 260.205 3.295 5 40 CGBB CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 4946047 SACPOVZYRYEAEN-UHFFFAOYSA-N 286.287 3.132 5 40 CGBB N=C1c2ccccc2CN1c1ccc(F)c([N+](=O)[O-])c1 3235098 NGVUVWZCLSNJSG-UHFFFAOYSA-N 271.251 3.079 5 40 CGBB Cc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 3333410 ACAMMISBQDDNRD-UHFFFAOYSA-N 280.283 3.387 5 40 CGBB CCC[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 12920686 VNTCVTNZNKWQBW-QMMMGPOBSA-N 270.716 3.167 5 40 CGBB Cc1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 20897940 JLOROHCEFHBXRI-UHFFFAOYSA-N 288.307 3.308 5 40 CGBB COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 361154 OWZRAUSRJPRWBV-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB CC(=O)O[C@H]1[C@H]2CCC[C@@H]1[C@@H]([N+]1(C)CCCCC1)CC2 3177888 KWKSYISARSAIJR-YVSFHVDLSA-N 280.432 3.127 5 40 CGBB CC(=O)OCCC/C(=C\c1c[nH]c2ccccc12)[N+](=O)[O-] 8649776 KKHQNMJEDHUHCX-UKTHLTGXSA-N 288.303 3.129 5 40 CGBB Cc1oc2cc(O)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 5955730 TXGJXULXQOZKBO-UHFFFAOYSA-N 297.266 3.382 5 40 CGBB C[C@H](CNc1ccncc1[N+](=O)[O-])c1nc2ccccc2o1 96446574 FNLLUZLXIQUGHT-SNVBAGLBSA-N 298.302 3.347 5 40 CGBB O=c1[nH]c2cc([N+](=O)[O-])ccc2c2ccc(Cl)cc12 17021239 DDWRZBARTQMGEL-UHFFFAOYSA-N 274.663 3.243 5 40 CGBB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 18144004 JLPQXRMIYNILFF-PHIMTYICSA-N 276.336 3.021 5 40 CGBB O=[N+]([O-])C[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-] 1577823 XTAICHDILDNLBZ-LSDHHAIUSA-N 286.287 3.065 5 40 CGBB Cc1cccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 16903846 YJRXUEXFJIESTJ-UHFFFAOYSA-N 283.287 3.359 5 40 CGBB O=[N+]([O-])c1ccc(SC2CCOCC2)c(F)c1 96484868 HPHCZVGGGDLCMM-UHFFFAOYSA-N 257.286 3.005 5 40 CGBB O=[N+]([O-])c1ccc(NC2CCCC2)c2ccncc12 5701814 ZURVPYGUMUJFBD-UHFFFAOYSA-N 257.293 3.498 5 40 CGBB Cc1ccc2c([N+](=O)[O-])c(Br)ccc2n1 72207233 MLAYXTOLDSSLFW-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 44838788 QTDVPPUJTSCXIE-MDZDMXLPSA-N 274.320 3.009 5 40 CGBB C[C@@H](NC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 59853924 RXGSQCGHBDUEGP-GFCCVEGCSA-N 291.351 3.241 5 40 CGBB Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)o1 3255681 HNKKAJVTZXLQTH-UHFFFAOYSA-N 275.260 3.162 5 40 CGBB CCOc1cc([N+](=O)[O-])ccc1N1Cc2ccccc2C1=N 28115902 AHIXZVOHUBVIBN-UHFFFAOYSA-N 297.314 3.339 5 40 CGBB Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 15744314 DYWZUXOWNWFLFN-CYBMUJFWSA-N 298.342 3.437 5 40 CGBB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1 43879356 MAUMNNKUSFXYAU-ZWNOBZJWSA-N 291.303 3.059 5 40 CGBB CN(Cc1c(F)cccc1Cl)c1ncccc1[N+](=O)[O-] 40160651 MMYNYBPHNGLBON-UHFFFAOYSA-N 295.701 3.419 5 40 CGBB CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12 653 VOPWPUXOWBDNBN-MRXNPFEDSA-N 288.411 3.064 5 40 CGBB in-man Cn1cnc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl 8308623 ARUKQPQUFCQQPJ-UHFFFAOYSA-N 288.090 3.427 5 40 CGBB COc1ccccc1/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O 1748104 ZEXNDJWNSXZPHB-UVTDQMKNSA-N 299.282 3.229 5 40 CGBB O=C1O/C(=C\Oc2ccc([N+](=O)[O-])cc2)c2ccccc21 5604659 YKHDYXMJVBNPJJ-ZROIWOOFSA-N 283.239 3.143 5 40 CGBB O=[N+]([O-])c1ccc(C(=S)NCc2ccccc2)cc1 9188085 PCOOPOVRNKELTM-UHFFFAOYSA-N 272.329 3.060 5 40 CGBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F 24107680 YPANABFFHAAFGD-MRVPVSSYSA-N 279.246 3.441 5 40 CGBB Cc1ccc(-c2csc(-c3cnccn3)n2)cc1[N+](=O)[O-] 57991423 JXBFARYLIRYVDU-UHFFFAOYSA-N 298.327 3.484 5 40 CGBB COc1ccc2c(c1)[C@@H](C#N)Cc1cc([N+](=O)[O-])ccc1-2 133233 VVNCQFFCOQYNDF-LLVKDONJSA-N 280.283 3.434 5 40 CGBB O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])o2)cc1 1667551 PIEVMGDPUYKMOP-UHFFFAOYSA-N 266.234 3.247 5 40 CGBB CC[N+](C)(C)CC[N+](C)(CC)Cc1cc2ccccc2o1 1807670 GATRIJUKKNLVDE-UHFFFAOYSA-N 290.451 3.496 5 40 CGBB Cc1cnccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 69515828 VFBAKUQGTQZCRK-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB CCCNC(=O)Nc1cc2cccnc2c2cccnc12 6138687 DMZDSOPTGGQRIF-UHFFFAOYSA-N 280.331 3.315 5 40 CGBB C[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C 4680565 VFAVJEWMCUMXJP-WDMOLILDSA-N 276.336 3.149 5 40 CGBB CN1c2ccc([N+](=O)[O-])cc2N(C)[C@]1(C)c1ccccc1 4793606 OWUUZSMCTWKDQE-MRXNPFEDSA-N 283.331 3.354 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1F 25125896 KBJYDSUJZVALGW-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCC1 41690135 JQBVARXKZLIYPH-BRSBDYLESA-N 298.491 3.065 5 40 CGBB CCN(Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 93338739 GFTRZFNBYBCBOA-UHFFFAOYSA-N 285.347 3.320 5 40 CGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 14292017 NTAGUTLZQASFKK-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1cccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 25836715 DYCNTPVZWURNGY-GFCCVEGCSA-N 299.330 3.131 5 40 CGBB O=[N+]([O-])c1cc(F)c(Oc2cccnc2)c(F)c1 97229459 AUWSCWFUPFBGLB-UHFFFAOYSA-N 252.176 3.060 5 40 CGBB O=[N+]([O-])c1cccc(OC(C(F)(F)F)C(F)(F)F)c1 1083811734 JWURKVIIQQJEER-UHFFFAOYSA-N 289.131 3.467 5 40 CGBB O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)nc1 59382407 RMSQICIPJUILIS-UHFFFAOYSA-N 273.336 3.371 5 40 CGBB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 284829 GLHLTSHFKQRRLY-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB O=P(O)(O)Oc1c(O)c2ccccc2c2ccccc12 1689477 FBPTUSDSHLVZBC-UHFFFAOYSA-N 290.211 3.170 5 40 CGBB CC1(C)Cc2cccc(Oc3ncccc3[N+](=O)[O-])c2O1 3385275 ZDEYFOTZNNRHPD-UHFFFAOYSA-N 286.287 3.496 5 40 CGBB Cc1cc(C)nc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5394259 VBAXVIWYLQLNJI-UHFFFAOYSA-N 285.303 3.167 5 40 CGBB Cc1nc(Oc2c(F)cccc2F)ccc1[N+](=O)[O-] 132570600 SYUNFATXMBZUSQ-UHFFFAOYSA-N 266.203 3.369 5 40 CGBB CCc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 65050557 YDTQRPVQYGKUGS-UHFFFAOYSA-N 295.295 3.005 5 40 CGBB Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 3569952 KLYLQZZQWUIMNX-UHFFFAOYSA-N 286.287 3.170 5 40 CGBB Cn1cnc([N+](=O)[O-])c1Sc1ccc(Cl)cc1 13148536 ABXJMGCTZDFESX-UHFFFAOYSA-N 269.713 3.133 5 40 CGBB C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 9726537 MFZYEVTXAKPULE-SNVBAGLBSA-N 288.278 3.225 5 40 CGBB O=C1c2ccc([N+](=O)[O-])cc2N[C@H]2CCCCC[C@H]12 226759945 PWENJZSMQGTTKI-JQWIXIFHSA-N 260.293 3.152 5 40 CGBB CC(C)c1ncc([N+](=O)[O-])n1C(=S)Nc1ccccc1 16576032 XTWPBFOSSSYGDV-UHFFFAOYSA-N 290.348 3.160 5 40 CGBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCCC1 2741388 QWBLDRWIVXOQHE-UHFFFAOYSA-N 282.727 3.264 5 40 CGBB CC1CCC(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 1600149 JMHOHOCZHPQGRG-UHFFFAOYSA-N 280.280 3.461 5 40 CGBB CC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 2491610 FCOYEURPIOTRFX-UHFFFAOYSA-N 274.301 3.344 5 40 CGBB CC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 8053640 ILAJMGYQZDSJKR-JTQLQIEISA-N 285.303 3.366 5 40 CGBB COc1ccc(-c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 216937390 APPLBKMFVSHBNN-UHFFFAOYSA-N 297.266 3.377 5 40 CGBB COc1cc2ccc(/C=C\[N+](=O)[O-])cc2cc1OC 5369428 YBDAKNRCMRSZFU-WAYWQWQTSA-N 259.261 3.104 5 40 CGBB C[C@H](c1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 32841956 ICKNKBJDVHSRBB-SNVBAGLBSA-N 290.344 3.490 5 40 CGBB O=[N+]([O-])c1ccc(SN2[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 1563799 LMJIHHSPEGLNNJ-UWVGGRQHSA-N 295.320 3.137 5 40 CGBB Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2ncccc12 98063814 LVOAMVGEUOCQDM-UHFFFAOYSA-N 271.301 3.454 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cccc(F)c2F)nc1 68916833 YXMCSAIRMZCNLR-UHFFFAOYSA-N 252.176 3.060 5 40 CGBB O=C(NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 10109366 BYDQXNVKKCWLIT-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB Cc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1 26504997 JGYLXQRUTDQBKM-UHFFFAOYSA-N 280.287 3.151 5 40 CGBB CCOC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 39241391 KIBKCNUEUZOFGL-UHFFFAOYSA-N 261.233 3.032 5 40 CGBB S=C(Nc1cc2cccnc2c2ncccc12)NC1CC1 6815934 CPGIQHXKXFMTME-UHFFFAOYSA-N 294.383 3.232 5 40 CGBB O=C(CCc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 7126993 ALUVQSFXMQLYDZ-UHFFFAOYSA-N 288.278 3.305 5 40 CGBB O=C(OC/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 4523367 XCMXILLCTHAGGD-DAXSKMNVSA-N 283.283 3.465 5 40 CGBB O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccn1 4739197 QKIFWDUIUAILIS-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB O=[N+]([O-])c1ccc2nc(NCc3ccncc3)sc2c1 34936031 HVPJRVFATLISNQ-UHFFFAOYSA-N 286.316 3.212 5 40 CGBB Cn1c2nc3ccccc3c-2nc2cc([N+](=O)[O-])ccc21 494348 CPKWHCQURVMPFD-UHFFFAOYSA-N 278.271 3.135 5 40 CGBB CC[C@@]1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 97080987 JHFGUUXZUCGRLE-AWEZNQCLSA-N 292.339 3.034 5 40 CGBB CC(=O)Nc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-] 83138984 SIRGERWJRKQESY-UHFFFAOYSA-N 299.330 3.474 5 40 CGBB CC(C)[N+](C)(C)C[C@H](O)COc1cccc2ccccc12 5003998 VOPWPUXOWBDNBN-INIZCTEOSA-N 288.411 3.064 5 40 CGBB in-man O=C(c1ccccc1[N+](=O)[O-])N1CCCCCCC1 3100407 SNNGEKNGQVNMFL-UHFFFAOYSA-N 262.309 3.001 5 40 CGBB O=C(O)c1ccc2ccc3ccccc3c2c1C(=O)O 1634269 IZXDSGJZIWWWKG-UHFFFAOYSA-N 266.252 3.389 5 40 CGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 10109638 URYYSZSUHNZAKF-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB O=C(CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 4602541 SRFQIDSDNDEYGS-UHFFFAOYSA-N 270.288 3.166 5 40 CGBB Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] 9355780 KPBPZKMOYYEVLT-GFCCVEGCSA-N 296.326 3.495 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1OCC[C@H]1CCCCN1 42771360 SNTHFAZOLCHVMZ-LLVKDONJSA-N 284.743 3.159 5 40 CGBB Cc1ccc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 6845836 YCORDZUXPMVYTD-UHFFFAOYSA-N 288.328 3.153 5 40 CGBB C[N+](C)(C)[C@H]1CCCC[C@@H]([N+](C)(C)C)CCCC1 100357305 PGODDFWWJLSAMA-WKILWMFISA-N 256.478 3.270 5 40 CGBB O=C(O)c1cccc2c(Br)ccc([N+](=O)[O-])c12 62719843 OLDSMHRBRMMBTJ-UHFFFAOYSA-N 296.076 3.209 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@H]([C@@H]32)[C@@H]2CC=C[C@H]42)cc1 217472770 MZGICHGTRFQXQA-OHQCYIMMSA-N 296.330 3.361 5 40 CGBB Cc1ccc(-c2ccc(C(=S)N(C)C)o2)cc1[N+](=O)[O-] 40542520 QGGXYMORKOZJNP-UHFFFAOYSA-N 290.344 3.400 5 40 CGBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)C2)c1 16642510 DYAYVIZJIWYAGH-JTQLQIEISA-N 294.376 3.189 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CO)o2)c1 4290831 DJYBORSKJQQRIJ-UHFFFAOYSA-N 253.641 3.001 5 40 CGBB Cc1ccc(OCc2ccccc2C)c([N+](=O)[O-])n1 7980785 GYQXAWPAENXUSQ-UHFFFAOYSA-N 258.277 3.186 5 40 CGBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 35128070 WZNWWUWYGSKPFU-UHFFFAOYSA-N 288.303 3.224 5 40 CGBB CCc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C(C)C 685937922 BBEKKSYRKOSJHR-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB O=[N+]([O-])c1cccnc1NCc1ccccc1Cl 20405185 SQDPVHRCUACLHP-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 100329977 DKYTXMDJYMJAGI-LNLATYFQSA-N 294.738 3.167 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F 35414875 KQSATUDRBYNUMQ-UHFFFAOYSA-N 291.234 3.011 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3294591 QFTKDGUBCGPCME-UHFFFAOYSA-N 284.271 3.050 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 25125918 IEOUVRAHNLMHRE-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB CCCCOc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-] 225726092 VJNTZFMDUZLOJJ-UHFFFAOYSA-N 273.672 3.125 5 40 CGBB COc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 529139 ZZOKRSMDAVZBOF-UHFFFAOYSA-N 270.244 3.412 5 40 CGBB O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 1599330 DXFDGFNDWPFRSA-UHFFFAOYSA-N 261.664 3.479 5 40 CGBB CC1CCN(c2c(Cl)cc(C(=O)O)cc2[N+](=O)[O-])CC1 70462573 GCNWDZPLJPWIKH-UHFFFAOYSA-N 298.726 3.183 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 258639 RAJLMRFUCSSKPK-UHFFFAOYSA-N 282.299 3.188 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[C@H]2CC[C@H]1C2 104738372 NLUYJTPKNZKMJT-XWLWVQCSSA-N 294.376 3.211 5 40 CGBB Cn1cnc([N+](=O)[O-])c1NCCc1cccc2ccccc12 29626274 CPLLPLMWEAQENS-UHFFFAOYSA-N 296.330 3.136 5 40 CGBB CC(C)(C)SC(=O)[C@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1 5437264 GIGOHCOJLQPALA-BXUZGUMPSA-N 295.360 3.483 5 40 CGBB O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 208163 KZZRNKLESVOZGL-UHFFFAOYSA-N 266.640 3.094 5 40 CGBB CC[N+](C)(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(OC)c1 488906 RJAROMXLRSTRGU-FUHWJXTLSA-N 292.443 3.169 5 40 CGBB O=[N+]([O-])c1cccc(OCC(F)(F)C(F)(F)F)c1 1083811794 PUCGBIHGRDAUMH-UHFFFAOYSA-N 271.141 3.171 5 40 CGBB N=C(N)S[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 16890130 ZCUZLFRPAKXHOZ-CYBMUJFWSA-N 285.328 3.291 5 40 CGBB O=C1c2ccccc2-c2cc([N+](=O)[O-])c(Cl)cc21 1569609 RIRJJCJZFSFOHX-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB COC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 4668435 GNBNXKBBMFFTRD-UHFFFAOYSA-N 298.298 3.076 5 40 CGBB Cc1cc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])no1 29527117 IOTIDDOXJNUAFP-LBPRGKRZSA-N 273.292 3.233 5 40 CGBB Cc1cc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])no1 23053712 XCPCXVDTWPNTBJ-OAHLLOKOSA-N 287.319 3.228 5 40 CGBB Cc1cc(C)c([N+](=O)[O-])c(OCc2ccccc2)n1 96006429 KHRASGROHPTQBP-UHFFFAOYSA-N 258.277 3.186 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCCC[C@H]2C1 8161107 CDEUIZXPPIBTLT-OCCSQVGLSA-N 288.347 3.247 5 40 CGBB CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5336421 ABYHRFIAIQLDRP-UHFFFAOYSA-N 286.287 3.246 5 40 CGBB Cc1ccc(-n2nc(C)c(/C=C/[N+](=O)[O-])c2C)cc1C 6449731 LQDUJLOVWLSBTG-BQYQJAHWSA-N 271.320 3.353 5 40 CGBB O=[N+]([O-])c1ccccc1-c1nnc(-c2cccs2)o1 39020 WTLOQEQRDOYZMC-UHFFFAOYSA-N 273.273 3.373 5 40 CGBB Cc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 3442976 BIMAHHYGWNEDSF-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB O=c1cc(-c2ccccc2)c2nc3ccccc3nc2o1 1410039 CJOAAPNIVBVIOP-UHFFFAOYSA-N 274.279 3.403 5 40 CGBB C[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C 4680564 VFAVJEWMCUMXJP-GYSYKLTISA-N 276.336 3.149 5 40 CGBB Nc1ccc(SCc2ccc([N+](=O)[O-])cc2)cc1 5571707 KLUSTEYRTVHSNK-UHFFFAOYSA-N 260.318 3.469 5 40 CGBB Cc1cccc(C)c1OC(=O)c1cccc([N+](=O)[O-])c1 325539 NZBFEYPHGAVWNA-UHFFFAOYSA-N 271.272 3.431 5 40 CGBB O=[N+]([O-])c1ccc(C2=NOc3cc(Cl)ccc3N2)cc1 52690 PHCVBVNBDZCMKA-UHFFFAOYSA-N 289.678 3.414 5 40 CGBB Cc1nccn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 95990951 FBESLFATFWPRTL-UHFFFAOYSA-N 285.225 3.167 5 40 CGBB CC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2)nc1C 91624075 UBQAIGLQXPBDCC-UHFFFAOYSA-N 285.303 3.113 5 40 CGBB O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2sccc2N1 12429144 WKXPMRIDOSKGCK-JTQLQIEISA-N 274.301 3.130 5 40 CGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105836981 UBCQEAQWETXMQV-UHXUCMFUSA-N 288.347 3.149 5 40 CGBB Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 6430656 ZWXYITDNMZUXCO-UHFFFAOYSA-N 271.272 3.260 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1=CCCCC1 223377086 UWXNEJGIOQILCC-DHZHZOJOSA-N 286.331 3.225 5 40 CGBB O=[N+]([O-])c1ccc(NCCSc2ccccc2)nc1 19874168 ZJSLRAVVMURKLA-UHFFFAOYSA-N 275.333 3.194 5 40 CGBB Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 39209476 ICTPDKGRILSAJE-UHFFFAOYSA-N 255.273 3.443 5 40 CGBB Cc1ccc(NC(=O)CSC(F)(F)F)cc1[N+](=O)[O-] 32644160 VJQCXOBHRLQZKY-UHFFFAOYSA-N 294.254 3.095 5 40 CGBB CSC(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C 96433733 LLKBEMYADYBJLJ-UHFFFAOYSA-N 297.380 3.166 5 40 CGBB O=[N+]([O-])c1ccc(O[P@](=O)(O)Oc2ccccc2)cc1 71789564 OHIMRTPHCMVSEZ-UHFFFAOYSA-N 295.187 3.153 5 40 CGBB NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 85346865 CCAZCOFVXLKUNY-ZZXKWVIFSA-N 292.678 3.007 5 40 CGBB O=[N+]([O-])c1cc(F)cc(Cl)c1OC(F)(F)F 95215723 QRSSGQFAHBSOCN-UHFFFAOYSA-N 259.542 3.286 5 40 CGBB Cc1cc(C(=O)CNc2cccc([N+](=O)[O-])c2)ccc1F 1421709 FGABFAQJDQVROK-UHFFFAOYSA-N 288.278 3.337 5 40 CGBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)o1 3289680 FCTUTLDYAWDQFR-ZDUSSCGKSA-N 270.288 3.478 5 40 CGBB CCOC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 15443079 FVPWNXJDSFAPEO-UHFFFAOYSA-N 292.335 3.008 5 40 CGBB O=[N+]([O-])c1cc(-c2ccc(CO)o2)ccc1Cl 558846 AJOLSHDPULRMEK-UHFFFAOYSA-N 253.641 3.001 5 40 CGBB CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 78705752 VFKYYMMUWFQPQN-UHFFFAOYSA-N 271.704 3.168 5 40 CGBB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1Cl 4514631 KXDOSJYWKWOEIS-IGJMFERPSA-N 294.738 3.167 5 40 CGBB Cc1c([C@@H](C)NCCc2ccccn2)cccc1[N+](=O)[O-] 95419144 TYZDEHPHJVHFFK-CYBMUJFWSA-N 285.347 3.192 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1OCC[C@H]1CCCNC1 42771352 VBYRTWASJNITIR-SNVBAGLBSA-N 284.743 3.017 5 40 CGBB CC(C)(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1F 138980762 NIWDYRHQEVOEHF-UHFFFAOYSA-N 274.223 3.220 5 40 CGBB O=C1c2cc(Cl)ccc2-c2ccc([N+](=O)[O-])cc21 1693086 IQLDKRFAFAYVKI-UHFFFAOYSA-N 259.648 3.460 5 40 CGBB Cc1cc(C)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 5539054 CANIGTVETAAYHX-UHFFFAOYSA-N 296.282 3.012 5 40 CGBB Cc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C 226291455 DOEFDDZJWYMHQG-HNNXBMFYSA-N 257.289 3.293 5 40 CGBB C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)O 20549285 OHCHYALIUQFVJN-JOYOIKCWSA-N 278.308 3.284 5 40 CGBB O=C(Cn1ccc2ccccc21)c1cccc([N+](=O)[O-])c1 582075 CYBVYIAFCSXVLT-UHFFFAOYSA-N 280.283 3.432 5 40 CGBB C[N+]1([O-])CC[C@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 104334243 NOWSSEWFWRADOM-QTXGHNMQSA-N 273.376 3.093 5 40 CGBB O=[N+]([O-])c1cc(F)ccc1N1CC(Oc2ccccc2)C1 65609400 DCQXDOVHACIMCZ-UHFFFAOYSA-N 288.278 3.002 5 40 CGBB CCCC[C@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1 4506205 HSPKPPHNQJNEDV-QMMMGPOBSA-N 271.342 3.206 5 40 CGBB O=[N+]([O-])c1ccc(NCc2ccccn2)c(Cl)c1 8147292 NAAIBDRBIDLPAN-UHFFFAOYSA-N 263.684 3.255 5 40 CGBB CN(C)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1 26720069 FTIZNOAXTTYPAG-CQSZACIVSA-N 291.376 3.371 5 40 CGBB Cc1cc([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])no1 23053711 XCPCXVDTWPNTBJ-HNNXBMFYSA-N 287.319 3.228 5 40 CGBB C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cn1 13012933 PZSURUXFGSULAG-VIFPVBQESA-N 263.322 3.249 5 40 CGBB C[C@@H]1CCCN(C(=S)c2ccc([N+](=O)[O-])cc2)C1 4680608 QSRLXVACMDPTSE-SNVBAGLBSA-N 264.350 3.002 5 40 CGBB COC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 725328011 GGWGUIPZTFRPAZ-UHFFFAOYSA-N 291.225 3.064 5 40 CGBB C[C@H]1CCCCN1c1cc(Cl)c2nonc2c1[N+](=O)[O-] 5477557 NUBZXFRDCXTUAK-ZETCQYMHSA-N 296.714 3.163 5 40 CGBB O=[N+]([O-])c1ccc([C@@H]2NCCCN2Cc2ccccc2)cc1 19324402 JSDHCEQSDXLMIB-QGZVFWFLSA-N 297.358 3.089 5 40 CGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 44018816 RQAKQKFPWMUVKB-LLVKDONJSA-N 270.288 3.337 5 40 CGBB Cc1cc([N+](=O)[O-])c2ncccc2c1Br 95935690 NMSZUBQNKATDFJ-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)c([N+](=O)[O-])c1 4294426 PHEPHHWAAYYNEQ-QPJJXVBHSA-N 273.244 3.261 5 40 CGBB CC(=O)Nc1cccc(NCc2ccccc2[N+](=O)[O-])c1C 75092039 IQGFMJZOAJNTOW-UHFFFAOYSA-N 299.330 3.474 5 40 CGBB O=C(O)c1cc2ccccc2c2c3c(ccc12)OCO3 1716378 DPHBABDLCQBJHS-UHFFFAOYSA-N 266.252 3.420 5 40 CGBB Cc1ccccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 16902397 KBZSYNFXJAPMHN-UHFFFAOYSA-N 283.287 3.359 5 40 CGBB CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 60645092 RJZNJYJTUZYTNN-UHFFFAOYSA-N 262.309 3.034 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100757515 UBCQEAQWETXMQV-NLRBGTRBSA-N 288.347 3.149 5 40 CGBB CCN(Cc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 58306935 AWKWHLPGLIMWSA-UHFFFAOYSA-N 286.331 3.114 5 40 CGBB O=[N+]([O-])c1c(Cl)nc(-c2ccccc2)nc1Cl 1577985 SDWYUIVXOJWKKA-UHFFFAOYSA-N 270.075 3.359 5 40 CGBB CC(C)NC(=S)Nc1cc2ncccc2c2cccnc12 408976947 TZKJXPBZOQUALS-UHFFFAOYSA-N 296.399 3.478 5 40 CGBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 16525109 YOJOPCNHDUUFOM-UHFFFAOYSA-N 299.311 3.435 5 40 CGBB O=[N+]([O-])c1ccc(/C=C\[n+]2ccc3ccccc3c2)o1 17106458 YLEJLAVIMIGUGC-NTMALXAHSA-N 267.264 3.256 5 40 CGBB COc1ccc2ccc(/C=C/[N+](=O)[O-])cc2c1OC 1559755 SLNZQOVIKAQZAU-BQYQJAHWSA-N 259.261 3.104 5 40 CGBB O=[N+]([O-])c1ccc(NCCc2ccccn2)c(Cl)c1 8149201 WHLRYDHBBDGRQV-UHFFFAOYSA-N 277.711 3.298 5 40 CGBB O=[N+]([O-])c1c(Oc2ccc(F)cc2)nc2sccn12 8308596 QQTFZYYXYASQNR-UHFFFAOYSA-N 279.252 3.235 5 40 CGBB O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 1095849 AYKTVOLPMVPDMN-UVTDQMKNSA-N 269.256 3.220 5 40 CGBB Cc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 259015 LFYXALLUODLTQG-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=[N+]([O-])c1ccccc1OCCCCNCc1ccco1 3247008 FGAFDROPXCVWFN-UHFFFAOYSA-N 290.319 3.137 5 40 CGBB Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2Cl)c1 4105506 DQCYJCGBLZUTSO-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=c1nc(Nc2ccccc2)sc2ccc([N+](=O)[O-])cc12 17889283 KOPIUBDXEWDVQV-UHFFFAOYSA-N 299.311 3.308 5 40 CGBB O=[N+]([O-])c1cccc(Cl)c1-n1ccc(C(F)(F)F)n1 72334105 UESFCJMQZNIULD-UHFFFAOYSA-N 291.616 3.453 5 40 CGBB CCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(C)C 685938434 RTRWJZBUQYBUNH-UHFFFAOYSA-N 260.293 3.122 5 40 CGBB CC[C@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 76061192 OZUCMCZUTTVGJY-CQSZACIVSA-N 285.347 3.447 5 40 CGBB CCSc1cnc(-c2cccc([N+](=O)[O-])c2)cn1 1775973387 AFGBKAATYQSTNL-UHFFFAOYSA-N 261.306 3.164 5 40 CGBB O=[N+]([O-])c1ncccc1OCc1nc2ccccc2s1 7044907 QCNRFBQJZSHLPS-UHFFFAOYSA-N 287.300 3.179 5 40 CGBB Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 12756360 ORTXNMYLCONQTL-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(OC)c1 408544055 ROQCHHBIUHZXJE-PLNGDYQASA-N 290.275 3.079 5 40 CGBB OCCNc1nc2ccc(Cl)cc2c2ccccc12 31716644 PGQDRTVUXRLIPZ-UHFFFAOYSA-N 272.735 3.446 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1C 226289500 AWHJMQSAIQQQRG-GWCFXTLKSA-N 292.335 3.372 5 40 CGBB CCn1ccnc1CNc1ccc(Cl)cc1[N+](=O)[O-] 51921971 KFSVUDJNTQGRFF-UHFFFAOYSA-N 280.715 3.077 5 40 CGBB O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl 4409481 SYDNVZOSGOWCBQ-UHFFFAOYSA-N 294.654 3.295 5 40 CGBB N=C(N)S[C@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21 13099139 FRPGRRFCZNFUPG-ZDUSSCGKSA-N 285.328 3.291 5 40 CGBB in-vitro Cc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] 8337448 RFMADEJGCVDMMD-UHFFFAOYSA-N 288.332 3.225 5 40 CGBB O=C1c2ccccc2-c2cc(S)c([N+](=O)[O-])cc21 1706443 DBHAPQOKRNTQAN-UHFFFAOYSA-N 257.270 3.095 5 40 CGBB O=[N+]([O-])c1cccc(Cc2nncc3ccccc23)c1 1757491 JELNSXUXUIPHBY-UHFFFAOYSA-N 265.272 3.129 5 40 CGBB Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 4838059 PCPSBNJTDDRZLJ-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB O=[N+]([O-])c1ccc2nc(NCc3cccnc3)sc2c1 95948557 CZCJTQQGBXQMNQ-UHFFFAOYSA-N 286.316 3.212 5 40 CGBB Cn1c2ccccc2c(=O)c2cc(Br)ccc21 35092025 WECNQMJRZGFLPC-UHFFFAOYSA-N 288.144 3.454 5 40 CGBB O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCCC[C@H]2C1 245228097 DBMUSVAVJRUCDD-RYUDHWBXSA-N 261.325 3.006 5 40 CGBB Cc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] 163875543 HPHMXOPHTDIMOF-VXGBXAGGSA-N 288.351 3.049 5 40 CGBB C[N+](C)(C)C/C=C/C(O)(c1ccccc1)c1ccccc1 504032 ZWZZJARDWMCYOZ-XNTDXEJSSA-N 282.407 3.185 5 40 CGBB Cc1ccc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] 3523382 SSWARQGJDUVVLW-UHFFFAOYSA-N 276.336 3.213 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1O 4014136 ALSFHFRMXBCGJT-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB COC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 81010036 UGZHIUOMMMJESS-CYBMUJFWSA-N 276.292 3.296 5 40 CGBB O=[N+]([O-])c1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1 160305770 ZXIWJKSKWDJXRG-UHFFFAOYSA-N 291.288 3.190 5 40 CGBB CCC[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2 198171 SXNLYKALCQBBGR-UYJPIKCFSA-N 264.414 3.197 5 40 CGBB CC[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 373117 AHMQEOKUCDUMMS-ZETCQYMHSA-N 256.689 3.233 5 40 CGBB CC[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)N(CC)CC 1577311 OCHQTXYAWJPADO-CYBMUJFWSA-N 278.352 3.288 5 40 CGBB Cc1cc(C(=O)Nc2nc(C)c(C)s2)ccc1[N+](=O)[O-] 2729528 PYYACXDODNCQKL-UHFFFAOYSA-N 291.332 3.229 5 40 CGBB O=C1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2N1 100879716 POQTVRJVXIRDNO-UHFFFAOYSA-N 281.271 3.058 5 40 CGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F 56271587 SACYFIVZPYVJGW-SSDOTTSWSA-N 297.213 3.384 5 40 CGBB Cc1cnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 39315307 XCNUOWLAWRAMMF-UHFFFAOYSA-N 271.198 3.108 5 40 CGBB c1ccc(CC[N+]23CCN(CC2)c2ccccc23)cc1 3197219 YILXYXRJYFSIQQ-UHFFFAOYSA-N 265.380 3.070 5 40 CGBB COc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 21046154 VIHPQSXPTMCYHC-UHFFFAOYSA-N 288.259 3.045 5 40 CGBB CCC[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 97080992 OYXCYYSWOXYRAR-LLVKDONJSA-N 292.339 3.034 5 40 CGBB CC[C@]1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 97080986 JHFGUUXZUCGRLE-CQSZACIVSA-N 292.339 3.034 5 40 CGBB Cc1cc(NCc2cccnc2)c2cc([N+](=O)[O-])ccc2n1 97083746 TXJYMLOMSLMJBX-UHFFFAOYSA-N 294.314 3.459 5 40 CGBB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1cccc([N+](=O)[O-])c1 100449353 JJUCIUPTTHLMTM-XYPYZODXSA-N 291.303 3.059 5 40 CGBB C[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3913738 JZOBUCVZJDQOFJ-MWLCHTKSSA-N 278.308 3.284 5 40 CGBB CC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)nc1C 40445663 KFLWWZKPZACANU-UHFFFAOYSA-N 262.290 3.229 5 40 CGBB O=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccc([N+](=O)[O-])cc1 4726267 UZLZXBNRZHPDMM-LSDHHAIUSA-N 295.298 3.396 5 40 CGBB COc1ccc2c(c1)C[C@@H](c1ccc([N+](=O)[O-])cc1)OC2=O 3847769 XZZBLLNQLNVZEE-HNNXBMFYSA-N 299.282 3.058 5 40 CGBB biogenic CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 73640148 DODGTYKFMFISRK-UHFFFAOYSA-N 275.260 3.340 5 40 CGBB O=C(COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 32727370 CYBRYVGVTJRBAH-UHFFFAOYSA-N 293.225 3.135 5 40 CGBB CC(C)C[C@H](C)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl 1727663 RRPNEQZFHPPPDM-YUMQZZPRSA-N 292.590 3.453 5 40 CGBB Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 2514080 ZRIDZCNDZSXRSY-UHFFFAOYSA-N 259.236 3.273 5 40 CGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@H]2C1 8161103 CDEUIZXPPIBTLT-JSGCOSHPSA-N 288.347 3.247 5 40 CGBB Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] 18024456 MSMZPBGANVGFBL-PHIMTYICSA-N 276.336 3.021 5 40 CGBB COc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 16215583 ZVDKLOLBBLQPLV-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)C1CCCC1 2797407 RUXHHTVLPDJIRD-UHFFFAOYSA-N 299.330 3.213 5 40 CGBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)s1 3246266 WBMGTBAKUCXBKM-UHFFFAOYSA-N 277.301 3.322 5 40 CGBB O=[N+]([O-])C[C@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-] 1577822 XTAICHDILDNLBZ-HUUCEWRRSA-N 286.287 3.065 5 40 CGBB O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)cc1 1848300 MOSSMDUQGHISID-FNORWQNLSA-N 292.678 3.493 5 40 CGBB O=C(CCN1CCCCCCC1)c1cccc([N+](=O)[O-])c1 1873054 SWIKOYQIUWXARK-UHFFFAOYSA-N 290.363 3.434 5 40 CGBB COc1ccccc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 1924773 IUQOITJFXQHCAJ-MDZDMXLPSA-N 298.298 3.255 5 40 CGBB O=C(O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1 104068132 PICSIGUMFUARDG-HSZNGYFJSA-N 299.326 3.352 5 40 CGBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 5942773 QRZSMBXKYHRMSK-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB O=C(O)CCc1c2ccccc2nc2ccccc12 4384577 IXQDDWNYDRVIHS-UHFFFAOYSA-N 251.285 3.405 5 40 CGBB Cc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 10447432 XFAWSQKYXMJEEN-JXMROGBWSA-N 296.326 3.233 5 40 CGBB O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(CO)c1 20468426 UGOLMLISZQOPIE-UHFFFAOYSA-N 293.706 3.320 5 40 CGBB O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)n2)cc1 366047 YPBQULUMQROUSN-UHFFFAOYSA-N 267.244 3.312 5 40 CGBB CNc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] 8019428 MUHYJCPXLUWAPS-UHFFFAOYSA-N 291.351 3.089 5 40 CGBB O=[N+]([O-])c1ccc(O)c(NC(=S)Nc2ccccc2)c1 8581758 ZKFLJXAZHSLWDS-UHFFFAOYSA-N 289.316 3.109 5 40 CGBB CC(C)[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] 75124060 MIDXKVNJLCJYID-LLVKDONJSA-N 252.289 3.359 5 40 CGBB Cn1cc([N+](=O)[O-])c(Oc2cccc(C(F)(F)F)c2)n1 95098487 FAENGZJGHZPJCW-UHFFFAOYSA-N 287.197 3.139 5 40 CGBB COC(=O)c1ccc(-c2cc([N+](=O)[O-])c(F)cc2F)cc1 1857793920 WUDYSWUIDQBKLI-UHFFFAOYSA-N 293.225 3.327 5 40 CGBB Cc1cc(C)n2nc3c4ccsc4ncc3c2n1 1578466 MZBFZKWSQBGAHQ-UHFFFAOYSA-N 254.318 3.109 5 40 CGBB O=C(Sc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 6651521 FPTOYVMOCUPADE-UHFFFAOYSA-N 299.311 3.404 5 40 CGBB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] 9355779 KPBPZKMOYYEVLT-LBPRGKRZSA-N 296.326 3.495 5 40 CGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)CC(C)C 45888269 ZPZQQSULMLOWMA-UHFFFAOYSA-N 264.325 3.450 5 40 CGBB CC(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1621476 WWPFQCWHUPBVAI-UHFFFAOYSA-N 257.245 3.187 5 40 CGBB Cc1cc(C(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 38755806 UCDUSYCQAWXOFW-UHFFFAOYSA-N 276.336 3.308 5 40 CGBB O=[N+]([O-])c1ccccc1N[C@@H](CCO)c1cccs1 72293849 KIHCKEGQCJHQLR-NSHDSACASA-N 278.333 3.192 5 40 CGBB CCOC(=O)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1 2392591 WMSZMJXCZHWMQV-UHFFFAOYSA-N 299.282 3.003 5 40 CGBB CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F 89969262 HAYKORBDHKWNGA-UHFFFAOYSA-N 289.310 3.151 5 40 CGBB O=[N+]([O-])c1ncccc1OCc1cc(F)cc2cccnc12 31613389 HPPJTTQLACWTFB-UHFFFAOYSA-N 299.261 3.256 5 40 CGBB CCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 235691 GBUPYIVWDKVSPP-VQHVLOKHSA-N 287.271 3.431 5 40 CGBB CC[C@](C)(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 5468318 SMLAOXIFMXTNOK-SFHVURJKSA-N 292.443 3.384 5 40 CGBB COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 23035980 DYBDOVKHIAJFQP-UHFFFAOYSA-N 272.260 3.125 5 40 CGBB COc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 26507821 XIYKCQFBFQNBHZ-UHFFFAOYSA-N 296.286 3.056 5 40 CGBB Cc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)o1 3289682 FCTUTLDYAWDQFR-CYBMUJFWSA-N 270.288 3.478 5 40 CGBB O=[N+]([O-])c1ccc(Oc2cccnc2[N+](=O)[O-])c(Cl)c1 7814002 YZUDTMVRNFGSAM-UHFFFAOYSA-N 295.638 3.344 5 40 CGBB Cc1cc(-c2ccc(C(=O)O)o2)c([N+](=O)[O-])cc1C 70461248 MOOHUCYHFODOGV-UHFFFAOYSA-N 261.233 3.170 5 40 CGBB Cc1cc([N+](=O)[O-])cnc1Oc1ccc(-n2cccn2)cc1 92656100 VZLIDHGEGXPZLW-UHFFFAOYSA-N 296.286 3.276 5 40 CGBB C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 72238805 MFWUGLVAZFNJAW-UHFFFAOYSA-N 293.394 3.141 5 40 CGBB CC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 8055459 JBCHSQFNBMJXAK-UHFFFAOYSA-N 270.288 3.410 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccccc1 4583117 KAZFVPYWGKVIEH-UHFFFAOYSA-N 299.330 3.267 5 40 CGBB Cc1cccc(C)c1NC(=O)CNc1cccc([N+](=O)[O-])c1 7954138 VGGJUTWSHQKXBK-UHFFFAOYSA-N 299.330 3.262 5 40 CGBB COc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1 33968 VWHLPNCPVHZLQX-MRXNPFEDSA-N 283.283 3.447 5 40 CGBB CCCCCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-] 1792000 NWOVMCPAEWSAEF-UHFFFAOYSA-N 289.335 3.409 5 40 CGBB CCOc1ccc(NC(=O)c2ccsc2)c([N+](=O)[O-])c1 61997209 JZBUZYKBQSVYQG-UHFFFAOYSA-N 292.316 3.307 5 40 CGBB Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3o2)nc1 89652311 LAMASGFXYVLOIL-UHFFFAOYSA-N 285.259 3.018 5 40 CGBB C[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 4679793 YNVAQOXIURTABG-MISXGVKJSA-N 276.336 3.149 5 40 CGBB CCc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 226291407 HRTMQKCJWREYHC-OAHLLOKOSA-N 257.289 3.239 5 40 CGBB Nc1cccc2c1CCCN2Cc1ccccc1[N+](=O)[O-] 37906203 UTAVCIOTMGOZPH-UHFFFAOYSA-N 283.331 3.130 5 40 CGBB Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(O)cc1F 70333128 AQXLWVHSOKHZNQ-UHFFFAOYSA-N 290.250 3.000 5 40 CGBB CCNCCCc1cccc2nc3ccccc3nc12 85390689 QCYBSGXOOUZMNO-UHFFFAOYSA-N 265.360 3.325 5 40 CGBB CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 12952945 PCTOSPURPIATBZ-UHFFFAOYSA-N 277.711 3.280 5 40 CGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1N1CCCC1 5023847 DUVDWCVYJTUSBX-UHFFFAOYSA-N 287.275 3.256 5 40 CGBB Cc1occc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 186310021 YODCBZQMKGRGBM-UHFFFAOYSA-N 294.694 3.080 5 40 CGBB O=C(Nc1ccccc1[N+](=O)[O-])OCc1ccccc1 5064209 LGFRPSBWXQHKGN-UHFFFAOYSA-N 272.260 3.344 5 40 CGBB Cc1cc(Oc2ncnc(N)c2[N+](=O)[O-])ccc1C(C)C 3912748 UAHQDODGRQQGBN-UHFFFAOYSA-N 288.307 3.191 5 40 CGBB Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 175120034 NNJDRBVFEFKJJO-JTQLQIEISA-N 280.324 3.489 5 40 CGBB Cn1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 96421303 NCHRGJKBHJQCOX-UHFFFAOYSA-N 286.316 3.119 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccccc1 255189049 NJEZMZRWXNHEPF-UHFFFAOYSA-N 271.272 3.051 5 40 CGBB O=C(NC(C1CC1)C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] 32900685 RRXIJJHUXGFGGB-UHFFFAOYSA-N 294.738 3.167 5 40 CGBB COc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1 33967 VWHLPNCPVHZLQX-INIZCTEOSA-N 283.283 3.447 5 40 CGBB CC1(C)CC(C)(C)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc21 1747467 LPVQBBKYNPXKHP-UHFFFAOYSA-N 264.281 3.462 5 40 CGBB O=[N+]([O-])c1ccc(-c2nc3ncccc3[nH]2)c(Cl)c1 96009359 VFOXGQAHHKHKTM-UHFFFAOYSA-N 274.667 3.187 5 40 CGBB O=[N+]([O-])c1cc(NCc2nc3ccccc3o2)ccc1F 9516424 BJMDESSLDHCNOZ-UHFFFAOYSA-N 287.250 3.487 5 40 CGBB O=C(O)c1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 73642110 HWPKOBDQKUHOES-UHFFFAOYSA-N 284.227 3.101 5 40 CGBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccncc3)oc12 73642633 AZQWCPKTMVMYGA-UHFFFAOYSA-N 269.260 3.360 5 40 CGBB O=C(O)c1ccc(/C=C/c2cccc([N+](=O)[O-])c2)o1 85390197 WGHJZWSVCHUIBO-SNAWJCMRSA-N 259.217 3.056 5 40 CGBB O=[N+]([O-])c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 3014568 FWKHHCMJMJILKW-UHFFFAOYSA-N 278.195 3.434 5 40 CGBB Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] 8417884 XCCONFFFCYGZJB-UHFFFAOYSA-N 274.120 3.215 5 40 CGBB C[C@@H](Cc1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1 3211590 DOZOLDXFHVPQEM-JTQLQIEISA-N 290.344 3.017 5 40 CGBB Cc1c(NC(=O)CSC(C)(C)C)cccc1[N+](=O)[O-] 13004065 JMZZLGOPIJTKBT-UHFFFAOYSA-N 282.365 3.373 5 40 CGBB C[C@H](NC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 59853919 RXGSQCGHBDUEGP-LBPRGKRZSA-N 291.351 3.241 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1 83428770 VJPDDMKAPSYDDQ-UHFFFAOYSA-N 282.255 3.441 5 40 CGBB O=[N+]([O-])c1ccc(I)c2ccccc12 5517955 HZUQHYNECCOGSL-UHFFFAOYSA-N 299.067 3.353 5 40 CGBB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cn1 5631972 WLWXXCRMIAEJKE-UHFFFAOYSA-N 289.316 3.099 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 8161037 VZIAEXVCIREFOC-JSGCOSHPSA-N 288.347 3.247 5 40 CGBB CCCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] 78574542 JWFSLFHNIFLUDS-UHFFFAOYSA-N 250.298 3.400 5 40 CGBB CC(C)(C)OC(=O)n1cc(C=O)c2c([N+](=O)[O-])cccc21 95093479 KXQLLEWIPLWWHS-UHFFFAOYSA-N 290.275 3.145 5 40 CGBB Cc1ccccc1-n1ncc2c([N+](=O)[O-])cc([N+](=O)[O-])cc21 3617489 IDJAKSPDYNCANX-UHFFFAOYSA-N 298.258 3.150 5 40 CGBB CN(OCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] 92826194 MAMHNLLRTFVPCT-UHFFFAOYSA-N 276.267 3.302 5 40 CGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1=CCCCC1 223376409 IXYHBDQYOSPZDP-MDZDMXLPSA-N 286.331 3.225 5 40 CGBB Cc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cccc2c1=O 685938274 OFGOENGYTHVYOR-UHFFFAOYSA-N 280.283 3.412 5 40 CGBB O=C(NCC1=CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 223434341 ISMUEXUBDYXRHI-UHFFFAOYSA-N 294.738 3.478 5 40 CGBB C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 12552729 VRJKVMXFZZHYLE-CYBMUJFWSA-N 298.342 3.357 5 40 CGBB O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1 71405109 NFTUWVYXQIPKAA-UHFFFAOYSA-N 292.682 3.287 5 40 CGBB Cc1ccc(CC(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cc1 24947932 VKFBNRTUFNDQOH-UHFFFAOYSA-N 298.342 3.104 5 40 CGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C 580860 NFOFNVOIDKRVSR-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=C(/C=C/c1ccccc1)OCc1cccc([N+](=O)[O-])c1 3390828 VWJCIVSMCPJSTM-MDZDMXLPSA-N 283.283 3.351 5 40 CGBB CCOc1cccc2nc3ccc(OC)cc3nc12 5336714 KQTWRSFPSCGPGG-UHFFFAOYSA-N 254.289 3.190 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F 5717263 HUSMRMLPLLEACV-UHFFFAOYSA-N 292.241 3.054 5 40 CGBB Cc1cc(CNc2ccc([N+](=O)[O-])cn2)ccc1F 22195731 FXXWIHBCPNKKJC-UHFFFAOYSA-N 261.256 3.049 5 40 CGBB CCOc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292656 AKVGTLANWNOUBJ-OAHLLOKOSA-N 273.288 3.075 5 40 CGBB O=C(/C=C\c1ccccc1)Nc1cccc([N+](=O)[O-])c1 16991345 WGBZHIZJROMONE-KTKRTIGZSA-N 268.272 3.247 5 40 CGBB CC(=O)c1cc([N+](=O)[O-])c(N2CCCCCC2)s1 95465669 ATJSNDHXGUKFFH-UHFFFAOYSA-N 268.338 3.239 5 40 CGBB CCc1n[nH]c(Sc2ccc(Cl)cc2[N+](=O)[O-])n1 70462308 GKKTXAPSTHSODY-UHFFFAOYSA-N 284.728 3.080 5 40 CGBB CCOC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 40174189 FAUNICJMGCOZMV-UHFFFAOYSA-N 275.260 3.340 5 40 CGBB O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc23)c(F)c1 97758366 MQBWIDXXJFSQOA-UHFFFAOYSA-N 273.223 3.403 5 40 CGBB C[N@+]1([O-])CCO[C@H](c2ccccc2)c2ccccc2C1 255961774 ADOSMCNCNFMWSW-MSOLQXFVSA-N 269.344 3.251 5 40 CGBB O=[N+]([O-])c1ccccc1[C@H]1[C@H](F)[C@H](F)C[C@H](F)[C@@H]1F 1615159232 HQFPSBTUJFRBOM-NJKWGNSISA-N 277.217 3.435 5 40 CGBB CN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 6429828 RHEHCWPTOBKTGA-UHFFFAOYSA-N 288.278 3.006 5 40 CGBB Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 347604 IODIHKWIRVQZRS-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 9229342 WTZCGDSZPGECJG-FMIVXFBMSA-N 288.347 3.399 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1NCc1ccco1 19233410 QRUCWMVJKDYPRR-UHFFFAOYSA-N 252.657 3.453 5 40 CGBB O=[N+]([O-])c1ccc(Nc2cnn(CC(F)(F)F)c2)cc1 91484239 VARPGTWKMDBNSS-UHFFFAOYSA-N 286.213 3.097 5 40 CGBB CC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 12790861 WZTKMJKFFZQIJH-UHFFFAOYSA-N 298.298 3.358 5 40 CGBB C[N+](C)(C)CCN(Cc1ccccc1)c1ccccc1 5336335 UGQGWMBWGXIIMJ-UHFFFAOYSA-N 269.412 3.399 5 40 CGBB Cc1ccc(NC(=O)OCC(F)(F)F)cc1[N+](=O)[O-] 32628889 VXLCTEVJRXVGFO-UHFFFAOYSA-N 278.186 3.014 5 40 CGBB in-vitro CCN(CC)C(=O)c1ccc2nc3ccccc3nc2c1 4834125 PDNWOCJEXZBGMN-UHFFFAOYSA-N 279.343 3.265 5 40 CGBB O=[N+]([O-])c1cccnc1Oc1cc(F)c(F)c(F)c1 95836332 NKGXSKNXDNPJPG-UHFFFAOYSA-N 270.166 3.199 5 40 CGBB Cc1nc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 96476421 NMEAJDNBIUVLOR-JTQLQIEISA-N 291.376 3.253 5 40 CGBB O=[N+]([O-])c1oc2ccc3ccccc3c2c1CCO 1589243 DMTZMRKTFPMXSU-UHFFFAOYSA-N 257.245 3.029 5 40 CGBB Cc1ccccc1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 40509286 QPFTZDKEEMYSQQ-UHFFFAOYSA-N 298.342 3.104 5 40 CGBB C[N+]1(C)[C@H]2CCC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 100745361 YTYIVMLMRFPEDG-ZSHCYNCHSA-N 274.384 3.003 5 40 CGBB Cc1cccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 26507825 YIQPFWBDDPZFKH-UHFFFAOYSA-N 280.287 3.355 5 40 CGBB CN1c2ccc([N+](=O)[O-])cc2N(C)[C@@]1(C)c1ccccc1 4793600 OWUUZSMCTWKDQE-INIZCTEOSA-N 283.331 3.354 5 40 CGBB O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 6925715 DKYTXMDJYMJAGI-PTRXPTGYSA-N 294.738 3.167 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\[N+](=O)[O-])o1 197749755 NCVIIBREUARFMY-SREVYHEPSA-N 274.232 3.411 5 40 CGBB O=C(O[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 10449172 BXPVVAJCDGFHFR-OAHLLOKOSA-N 283.283 3.439 5 40 CGBB COc1cc(Cl)c(Br)c([N+](=O)[O-])c1 216843208 HTXZALVTMLPRHS-UHFFFAOYSA-N 266.478 3.019 5 40 CGBB Cc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c2c1=O 685938238 MQCAMMGBENOGOO-UHFFFAOYSA-N 280.283 3.412 5 40 CGBB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] 58218040 AQPLXYYHXRTHIZ-OAHLLOKOSA-N 299.330 3.209 5 40 CGBB O=[N+]([O-])c1c[nH]c2ncnc(SCc3ccccc3)c12 1699647 PFOHLQJEGHIEGY-UHFFFAOYSA-N 286.316 3.158 5 40 CGBB COc1ccc2cc(C(=O)CC[N+](C)(C)C)ccc2c1 3844001 QPIGCWPJGLTZCO-UHFFFAOYSA-N 272.368 3.127 5 40 CGBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1 12821133 VPJBKMJZKDEASZ-UHFFFAOYSA-N 296.204 3.264 5 40 CGBB Cc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 8308400 PNGVBCBWWPJJLF-UHFFFAOYSA-N 274.305 3.356 5 40 CGBB NC(=O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 44263199 JPRWFQGYFONSSF-ZZXKWVIFSA-N 292.678 3.007 5 40 CGBB Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1 196094680 ILIGUMCFUBWZQQ-UHFFFAOYSA-N 255.273 3.443 5 40 CGBB O=C(Nc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 8804147 WJDYUMOXAOWFCA-UHFFFAOYSA-N 299.311 3.457 5 40 CGBB O=C(Nc1cccc2ncccc12)c1ccc([N+](=O)[O-])cc1 7757874 AJYOYSZPMPPVIG-UHFFFAOYSA-N 293.282 3.395 5 40 CGBB O=C(Nc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1F 71803709 ZDYFAHBEUWZHDO-UHFFFAOYSA-N 295.657 3.035 5 40 CGBB C[C@@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 76061023 QLEPDXUDPMKCLX-OLZOCXBDSA-N 284.743 3.211 5 40 CGBB Cc1cc2c(=O)c3ccccc3c(=O)[nH]c2cc1Cl 226760219 TYOYFVLEPPFXDZ-UHFFFAOYSA-N 271.703 3.003 5 40 CGBB CCOC(=O)c1cnc2c(ccc3ncccc32)c1OCC 13215002 LPIWHZUXJFWRMS-UHFFFAOYSA-N 296.326 3.358 5 40 CGBB Cc1c(C(=O)NC[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 15745059 VYRDZHNKYQAAQB-GFCCVEGCSA-N 298.342 3.437 5 40 CGBB O=[N+]([O-])c1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@H]3C2)cc1 3852131 VHKIISPXBQUUJF-UXWRLGMKSA-N 287.315 3.223 5 40 CGBB Cc1nc(COc2cc([N+](=O)[O-])ccc2Cl)oc1C 93307928 MIYNXZQOHQIIRW-UHFFFAOYSA-N 282.683 3.432 5 40 CGBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1N 216926353 APBMRANFSKITEU-UHFFFAOYSA-N 299.286 3.302 5 40 CGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc2ccccc2[nH]1 5492316 SPRLVXNSIUCKGF-UHFFFAOYSA-N 296.282 3.433 5 40 CGBB O=[N+]([O-])c1cn(Cc2c(Cl)cccc2Cl)cn1 37050 HDLZZOPBUWSSJE-UHFFFAOYSA-N 272.091 3.146 5 40 CGBB Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2o1 58244485 RJNWXAQUQKUBAT-UHFFFAOYSA-N 297.270 3.297 5 40 CGBB C[C@H]1CCCN(C(=S)c2ccc([N+](=O)[O-])cc2)C1 4680609 QSRLXVACMDPTSE-JTQLQIEISA-N 264.350 3.002 5 40 CGBB CC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 8053648 ILAJMGYQZDSJKR-SNVBAGLBSA-N 285.303 3.366 5 40 CGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@@H](C)C1 216767456 KZKJLMJWFPHEIL-PHIMTYICSA-N 264.325 3.086 5 40 CGBB COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C(=O)O 45957619 NXLYLVOECWFXAI-UHFFFAOYSA-N 294.307 3.046 5 40 CGBB Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccccc2Cl)n1 75181 VJLQBAFJRXLPBF-CYBMUJFWSA-N 279.727 3.019 5 40 CGBB O=[N+]([O-])c1ccc(C[n+]2cccc3ccccc32)cc1 3167862 LAPZJZNMHMLIPU-UHFFFAOYSA-N 265.292 3.084 5 40 CGBB Cc1cc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])no1 29527119 IOTIDDOXJNUAFP-GFCCVEGCSA-N 273.292 3.233 5 40 CGBB Cc1cccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)c1 10110604 DHQAUGZJNJRDQX-UHFFFAOYSA-N 298.342 3.266 5 40 CGBB Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 7538104 TZWYIAHTROSWJT-UHFFFAOYSA-N 256.305 3.193 5 40 CGBB COC(=O)CCCCCCCCCCC[N+](=O)[O-] 137311912 SJVAZOSTYXOYOA-UHFFFAOYSA-N 259.346 3.337 5 40 CGBB C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccco1 8374707 KXBSNXUHNSRTPT-SSDOTTSWSA-N 278.293 3.070 5 40 CGBB COc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 3158077 NAKKMJRALDCXKE-UHFFFAOYSA-N 259.261 3.182 5 40 CGBB Cc1nn(CCCc2ccccc2)c(C)c1[N+](=O)[O-] 58799910 XPYBOSAOSQTFHK-UHFFFAOYSA-N 259.309 3.041 5 40 CGBB O=[N+]([O-])c1ccc(OC(F)F)c(C(F)(F)F)c1 2540266 NNSOMFYZAXRBJY-UHFFFAOYSA-N 257.114 3.215 5 40 CGBB O=C(c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 2559782 GAEBFYZMMWAODI-UHFFFAOYSA-N 261.664 3.479 5 40 CGBB COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 96007790 NTQROFIZTWSIQJ-NSHDSACASA-N 298.770 3.107 5 40 CGBB O=[N+]([O-])c1ccc(F)cc1CSC1=NCCS1 193214708 DDJJVPOUONYXAU-UHFFFAOYSA-N 272.326 3.070 5 40 CGBB COC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl 95486396 GUPRPFBJAHJHKL-UHFFFAOYSA-N 283.589 3.054 5 40 CGBB CC(C)(C)NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1Cl 33373965 BCPWXKPVYHIBTH-DAXSKMNVSA-N 282.727 3.176 5 40 CGBB Cc1ccc([N+](=O)[O-])c(Nc2cc(C)c3n[nH]cc3c2)n1 1772715276 NMYLFDSOTLEVJZ-UHFFFAOYSA-N 283.291 3.227 5 40 CGBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 13596328 UUHNMQLUYQRTML-NSHDSACASA-N 282.299 3.186 5 40 CGBB COc1ccccc1[C@@H](C)Nc1ncccc1[N+](=O)[O-] 21760400 QORYVYRGYQJWMZ-SNVBAGLBSA-N 273.292 3.172 5 40 CGBB Cc1nc(N)c2c(=O)oc3ccccc3c2c1C(C)C 226761351 JYKKPWHIDUUHSO-UHFFFAOYSA-N 268.316 3.355 5 40 CGBB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1 43879426 MAUMNNKUSFXYAU-GXFFZTMASA-N 291.303 3.059 5 40 CGBB COC(=O)c1cc(-c2ccc(C)cc2F)cc([N+](=O)[O-])c1 91252344 WUSFDDCYMAGBBK-UHFFFAOYSA-N 289.262 3.496 5 40 CGBB Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 225365 ZPXQNFOOIYUOSR-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB O=C(O)CCn1c2ccccc2c2nc3ccccc3nc21 133956 ZNYVWYUAXRQFMR-UHFFFAOYSA-N 291.310 3.212 5 40 CGBB O=c1c2ccccc2nc2c3ccccc3c(Cl)nn12 126689 MUHBDIDXVUEIHJ-UHFFFAOYSA-N 281.702 3.049 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1N1C=CC(C)(C)N=C1S 54957293 NXNALRCWULMEIA-UHFFFAOYSA-N 277.349 3.301 5 40 CGBB CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nccs2)c1 14129190 PUQCITLMMYEHIJ-UHFFFAOYSA-N 295.345 3.026 5 40 CGBB CC(=O)c1ccc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c1 71904126 XNNCRRSEPZYJDN-UHFFFAOYSA-N 290.241 3.186 5 40 CGBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 8780545 JCROIYNYFCWZHE-UHFFFAOYSA-N 285.303 3.197 5 40 CGBB N[C@@H](CC(=O)O)c1c2ccccc2cc2ccccc12 44197309 RWSBGGWIFLOGNU-HNNXBMFYSA-N 265.312 3.468 5 40 CGBB CC(C)NCc1cccc2nc3ccccc3nc12 85390715 WURILLXKCCIFPL-UHFFFAOYSA-N 251.333 3.281 5 40 CGBB CCc1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292713 MQUOCSXGJKGCHA-OAHLLOKOSA-N 257.289 3.239 5 40 CGBB CCc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 226292721 MQUOCSXGJKGCHA-HNNXBMFYSA-N 257.289 3.239 5 40 CGBB CC(=O)N(C)c1ccccc1NCc1ccccc1[N+](=O)[O-] 96446944 DYAQGJVRJBJRKY-UHFFFAOYSA-N 299.330 3.190 5 40 CGBB C[C@@H](N)[C@@H](O)c1ccc2ccc3ccccc3c2c1 1595050 VDGUOULOJFVJCZ-PIGZYNQJSA-N 251.329 3.374 5 40 CGBB O=[N+]([O-])c1cccc(/C=C/c2ncc3ccccn23)c1 3892522 VTSLMDLWDORMQH-BQYQJAHWSA-N 265.272 3.413 5 40 CGBB Cc1ccc(C)c(OCCNc2ccc([N+](=O)[O-])cn2)c1 19875065 SXRVSKIRXYSMEP-UHFFFAOYSA-N 287.319 3.098 5 40 CGBB COCc1nc(COc2ccc(C)cc2[N+](=O)[O-])cs1 96455680 KODXOGGPVVFORD-UHFFFAOYSA-N 294.332 3.085 5 40 CGBB O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 140457 MNOXMLFPCBCFJG-MRXNPFEDSA-N 297.266 3.167 5 40 CGBB biogenic,in-vitro Cc1ccc(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408598787 JSEHIMZSPUCDHZ-UHFFFAOYSA-N 299.330 3.262 5 40 CGBB CSc1ccc(C(=O)N2CCCCCC2)cc1[N+](=O)[O-] 6510304 HPSGRDLBTBWXPJ-UHFFFAOYSA-N 294.376 3.333 5 40 CGBB O=C(Nc1cc2ncccc2c2cccnc12)N1CCCC1 408976827 SNMOTIGDRUWRJW-UHFFFAOYSA-N 292.342 3.411 5 40 CGBB O=[N+]([O-])c1cccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c1 9513722 YCSBHMUJRKKIKK-BETUJISGSA-N 291.376 3.098 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 4725422 GOAJCPPVHZDVSW-UHFFFAOYSA-N 297.314 3.185 5 40 CGBB COCCCNC(=O)c1cc2ccccc2c2cccnc12 48237321 PVJPDXXYJORIJF-UHFFFAOYSA-N 294.354 3.154 5 40 CGBB COc1c(Br)ccc(Cl)c1[N+](=O)[O-] 97447151 YVUXRKOZXUCXIC-UHFFFAOYSA-N 266.478 3.019 5 40 CGBB O=C(NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 3562298 YCDNGYWZZPNCAV-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB O=[N+]([O-])c1ccc(Nc2nc3ccccc3o2)cc1 3850814 VITGTHQUYHJKCN-UHFFFAOYSA-N 255.233 3.480 5 40 CGBB biogenic O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1 226864373 ILONKTAHYYJPML-UHFFFAOYSA-N 288.328 3.326 5 40 CGBB O=c1cc(-c2ccc(F)cc2)[nH]c2ccc([N+](=O)[O-])cc12 91692572 ZZGBBJNNYPCZPG-UHFFFAOYSA-N 284.246 3.242 5 40 CGBB CC[C@H](C)n1ncc([N+](=O)[O-])c1NC(=O)OC(C)(C)C 1548918624 BBXLRYVSFJZKLN-QMMMGPOBSA-N 284.316 3.109 5 40 CGBB C[C@H](N)[C@H](O)c1ccc2ccc3ccccc3c2c1 1595047 VDGUOULOJFVJCZ-GTNSWQLSSA-N 251.329 3.374 5 40 CGBB O=Cc1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 2243852 SOPMEIKWKUESBL-UHFFFAOYSA-N 280.283 3.410 5 40 CGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 10278889 UKAGJUVTNFKCHR-SECBINFHSA-N 276.317 3.147 5 40 CGBB COc1ccc(Nc2ccccc2[N+](=O)[O-])cc1OC 4905648 CJJIMRYSCLOREI-UHFFFAOYSA-N 274.276 3.356 5 40 CGBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3ccccc3)n2)c1 24605636 DXSNGTXDHJUOTB-UHFFFAOYSA-N 266.260 3.047 5 40 CGBB CC(C)(C)SCC(=O)N1CCc2c1cccc2[N+](=O)[O-] 78148615 IHABDEGJONXZJL-UHFFFAOYSA-N 294.376 3.016 5 40 CGBB CCOc1cccc(N(C)Cc2nccs2)c1[N+](=O)[O-] 97108544 RPQDBEFANVPHQO-UHFFFAOYSA-N 293.348 3.086 5 40 CGBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/[N+](=O)[O-])o1 215617430 ZFVGNDVUPQWRCO-VOTSOKGWSA-N 274.232 3.411 5 40 CGBB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 172512 LHTJBSHDDMLMGH-UHFFFAOYSA-N 285.225 3.416 5 40 CGBB C[N+]1(C)CCC(=O)C(c2ccccc2)(c2ccccc2)CC1 1681677 DKPIOJQYDUJMMQ-UHFFFAOYSA-N 294.418 3.412 5 40 CGBB Cc1cccc(N/C=C/c2onc(C)c2[N+](=O)[O-])c1 100151927 ZCDZBHJMKUNNAN-VOTSOKGWSA-N 259.265 3.282 5 40 CGBB C[C@@H](Cc1ccsc1)NCc1csc([N+](=O)[O-])c1 49157236 RADSMJJXYWCMMY-VIFPVBQESA-N 282.390 3.439 5 40 CGBB COC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408722727 WOCPFJWYZOAQQX-UHFFFAOYSA-N 277.283 3.051 5 40 CGBB O=[N+]([O-])c1ccc(C(F)F)cc1Br 238700917 QONCDGCMLOSTOP-UHFFFAOYSA-N 252.014 3.295 5 40 CGBB CCc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10812380 ZJCXKJROVHEJIL-UHFFFAOYSA-N 284.315 3.338 5 40 CGBB COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@@H]1C 226289493 AWHJMQSAIQQQRG-GXFFZTMASA-N 292.335 3.372 5 40 CGBB Cc1ccc(NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 6923987 IDGLOLBKICNISI-UHFFFAOYSA-N 276.317 3.146 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 5717251 ABPQLYQATNJNJM-UHFFFAOYSA-N 292.241 3.054 5 40 CGBB CC(=O)Nc1cc(Nc2ccccc2)ccc1[N+](=O)[O-] 1888989104 WFIYHLDPZYNHJO-UHFFFAOYSA-N 271.276 3.297 5 40 CGBB O=[N+]([O-])c1c(Oc2ccccc2)nc2sccn12 1395919 AZZMGAIWMXPUHS-UHFFFAOYSA-N 261.262 3.096 5 40 CGBB CC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12557551 BMBFJPMXHBXSSC-UHFFFAOYSA-N 271.320 3.379 5 40 CGBB CCS[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] 75105365 WMTSXWXMNNFWFX-ZYHUDNBSSA-N 281.381 3.466 5 40 CGBB C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 44315707 HNIWWKYNEXTPNZ-SSDOTTSWSA-N 282.346 3.209 5 40 CGBB Cc1cc(N[C@@H](C)CCCO)c2cc([N+](=O)[O-])ccc2n1 96008510 ZFPKRQMIFJXEEX-JTQLQIEISA-N 289.335 3.024 5 40 CGBB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 43879359 ZBGLYSOHRIXRFD-DGCLKSJQSA-N 291.303 3.059 5 40 CGBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(C(C)C)no1 29751230 KULQBKLLAOTERX-UHFFFAOYSA-N 291.307 3.297 5 40 CGBB Cc1cccc(C(=O)N[C@H](C)CCC(C)C)c1[N+](=O)[O-] 3486892 IAGOFDHXQHOVRV-GFCCVEGCSA-N 278.352 3.458 5 40 CGBB O=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 8732336 LNRRSCXPTBKRIR-UHFFFAOYSA-N 296.076 3.430 5 40 CGBB Cc1ccc(-n2nc(C)c(/C=C/[N+](=O)[O-])c2C)c(C)c1 33859588 PMBSXNAWMYKHEF-BQYQJAHWSA-N 271.320 3.353 5 40 CGBB O=[N+]([O-])c1ccc(N[C@@H]2CCN3CCCC[C@@H]23)c(Cl)c1 195529116 QZEQERWRTZTGNG-KGLIPLIRSA-N 295.770 3.287 5 40 CGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc21 32851138 HSOMWFRHHZXKSW-OAHLLOKOSA-N 297.314 3.404 5 40 CGBB COc1c(C)cc([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 1656031 YHFKPMJWBHTUDN-UHFFFAOYSA-N 268.269 3.118 5 40 CGBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nccc(C)n1 60645103 SMJFCPDKWNFIMD-UHFFFAOYSA-N 289.316 3.047 5 40 CGBB Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 1640271 HANVJEAYFREZQI-UHFFFAOYSA-N 297.525 3.212 5 40 CGBB C[N+](C)(C)CCC[N+]1(C)CCC2(CCCCC2)CC1 1698293 DBVHWXNVCIKRDC-UHFFFAOYSA-N 268.489 3.274 5 40 CGBB N=C(N)SCc1cc(=O)oc2ccc3ccccc3c12 7715608 YHABHZWETGODPR-UHFFFAOYSA-N 284.340 3.073 5 40 CGBB CCc1nc(COc2cc([N+](=O)[O-])ccc2OC)cs1 31674225 LFJDDZBRHCBBCZ-UHFFFAOYSA-N 294.332 3.201 5 40 CGBB Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3)cn2c1 8134307 FPXQWPQGHFRWRO-UHFFFAOYSA-N 283.287 3.130 5 40 CGBB CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)cc1 84503339 XFJYPNISGIWVSH-GORDUTHDSA-N 283.287 3.119 5 40 CGBB Cc1ccc(OCc2nc(C)c(C)o2)cc1[N+](=O)[O-] 95438581 BYGJDMMYVCPPMN-UHFFFAOYSA-N 262.265 3.087 5 40 CGBB CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 40474168 PWHBDEHDAWLQCF-UHFFFAOYSA-N 263.297 3.001 5 40 CGBB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 6236252 ZIDDRKBKJRWGNC-UHFFFAOYSA-N 282.299 3.336 5 40 CGBB O=[N+]([O-])c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 5799341 QPHWRNORYDZJEC-UHFFFAOYSA-N 273.248 3.115 5 40 CGBB CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4613928 XOXPGMUCORHECU-UHFFFAOYSA-N 266.297 3.122 5 40 CGBB CCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] 27313046 UQVZIRPPYRTBAK-LLVKDONJSA-N 274.320 3.452 5 40 CGBB C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 84439768 LTFPNPNORKKXMR-QMMMGPOBSA-N 254.717 3.136 5 40 CGBB COc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 521162 IVBSXXZHDBWYRK-UHFFFAOYSA-N 281.271 3.214 5 40 CGBB O=c1oc2c(-c3ccc([N+](=O)[O-])cc3)cc(O)cc2s1 533863 NGGKZEUPYOGAHM-UHFFFAOYSA-N 289.268 3.135 5 40 CGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C 2034935 QUBVTFSYMFBYJT-SNVBAGLBSA-N 293.323 3.010 5 40 CGBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2C[C@@H]1CO1 8040515 UNVIOCFVCMFMFJ-CYBMUJFWSA-N 295.298 3.010 5 40 CGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1 4412226 SXKADGUBGRJHJH-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB O=[N+]([O-])c1ccc(-c2ccc(CO)o2)c(Br)c1 4736814 SUEOPLRHWBSCRE-UHFFFAOYSA-N 298.092 3.110 5 40 CGBB CC(C)CNc1ccc(Br)cc1[N+](=O)[O-] 20564198 BLEICSXGBOWIBD-UHFFFAOYSA-N 273.130 3.425 5 40 CGBB COc1ccc2c(c1)[C@H](C#N)Cc1cc([N+](=O)[O-])ccc1-2 133235 VVNCQFFCOQYNDF-NSHDSACASA-N 280.283 3.434 5 40 CGBB O=C(Nc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 251012 MFVSRDVRQCNZQK-UHFFFAOYSA-N 282.299 3.336 5 40 CGBB CC(=O)c1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] 3287951 GDIYLFJXKRHPBN-UHFFFAOYSA-N 285.255 3.017 5 40 CGBB CCN(c1ccc(C(=O)O)cc1[N+](=O)[O-])C1CCCCC1 20000172 MIFATPOJHQVMHU-UHFFFAOYSA-N 292.335 3.452 5 40 CGBB Cc1cc(=O)n2c(n1)sc1ccc3ccccc3c12 1591159 AQRZJIMEWOWVIA-UHFFFAOYSA-N 266.325 3.371 5 40 CGBB CCOc1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12 36719680 MXCVHBTUPDNVRW-UHFFFAOYSA-N 262.221 3.055 5 40 CGBB COc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1O 33961 TYDSNGCBRXYKPA-MRXNPFEDSA-N 299.282 3.152 5 40 CGBB CN(C)CCCNc1sc2ccccc2c1[N+](=O)[O-] 4488694 KTQLBRRWCYQKFA-UHFFFAOYSA-N 279.365 3.173 5 40 CGBB Cc1nn(CCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 5797523 XHWABXHBIOUIHN-UHFFFAOYSA-N 295.726 3.141 5 40 CGBB O=[N+]([O-])c1cccc(OC(Cl)(Cl)Cl)c1F 95215407 MMNZRUCRYFLFMH-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB COc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21 2556384 HHEZPZWGHDOWCQ-UHFFFAOYSA-N 282.251 3.407 5 40 CGBB endogenous,in-man Cc1ncc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])s1 178833818 OPFIBIVRZPLNSZ-UHFFFAOYSA-N 298.755 3.045 5 40 CGBB C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccco1 8374705 KXBSNXUHNSRTPT-ZETCQYMHSA-N 278.293 3.070 5 40 CGBB O=[N+]([O-])c1cccc(CNCc2ccc(F)cc2)c1 16399863 XCFOSYNXFIRPHX-UHFFFAOYSA-N 260.268 3.024 5 40 CGBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 24107035 DAOYGDOHOCGFMB-SECBINFHSA-N 261.256 3.302 5 40 CGBB O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@H]([C@@H]32)[C@@H]2CC=C[C@@H]42)cc1 247324320 MZGICHGTRFQXQA-XMEMRUQMSA-N 296.330 3.361 5 40 CGBB O=C(O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2141982 ZUDRZKWAUVPDHR-BJMVGYQFSA-N 299.282 3.272 5 40 CGBB O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc2c1 13285078 LUPBTDLFUOLFAC-UHFFFAOYSA-N 284.231 3.046 5 40 CGBB C[C@H]1C[N+](Cc2ccccc2)(Cc2ccccc2)O[C@@H]1O 3151202 DNZYVJMPVPIUFD-YJBOKZPZSA-N 284.379 3.103 5 40 CGBB CC1(C)COC(c2ccc3ccc4cccnc4c3n2)=N1 642814189 HLTAMVODSLPKSD-UHFFFAOYSA-N 277.327 3.338 5 40 CGBB CCNCc1cc(=O)oc2ccc3ccccc3c12 12974446 JFERYJMJOMXTOS-UHFFFAOYSA-N 253.301 3.056 5 40 CGBB CCCCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 20887182 HCSCKFLZUKSABQ-UHFFFAOYSA-N 293.367 3.093 5 40 CGBB CC1=C[C@@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C 4064732 UTSXCLQQDIBOGU-FEFYEGHMSA-N 276.444 3.256 5 40 CGBB Nc1cc2c(cc1[N+](=O)[O-])-c1ccc(Cl)cc1C2=O 4963456 DLIKELPRTIHVAV-UHFFFAOYSA-N 274.663 3.042 5 40 CGBB O=C(Cn1ccc2ccccc21)Nc1ccccc1[N+](=O)[O-] 6757518 LXSULGUENPVFPP-UHFFFAOYSA-N 295.298 3.188 5 40 CGBB Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1[N+](=O)[O-] 26755575 DHKIWJGUYSVQLM-ZDUSSCGKSA-N 298.342 3.437 5 40 CGBB CC(C)CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 10410899 ZBLGUZXOUORHJV-LLVKDONJSA-N 264.325 3.149 5 40 CGBB Cc1ccc(NC(=O)c2occc2C)cc1[N+](=O)[O-] 25318311 GMGCNHDENUHTNI-UHFFFAOYSA-N 260.249 3.057 5 40 CGBB CNc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] 9322610 AXPICXPMKDSNCQ-UHFFFAOYSA-N 291.351 3.041 5 40 CGBB CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 7804094 ATBMMMZWBSWMQD-MRVPVSSYSA-N 270.716 3.023 5 40 CGBB C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 71914289 BHQVWYHUJGOTMT-SYTKJHMZSA-N 298.298 3.307 5 40 CGBB Cc1cc(NS(C)(=O)=O)c2ccc3ccccc3c2n1 40384515 AWLSFDDSEXIVOD-UHFFFAOYSA-N 286.356 3.068 5 40 CGBB Cc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] 163875426 HPHMXOPHTDIMOF-RYUDHWBXSA-N 288.351 3.049 5 40 CGBB COc1cccc(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])c1 6235704 BGTQADOHXVDXIO-UHFFFAOYSA-N 294.698 3.099 5 40 CGBB CC(=O)Nc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1 25369659 KRFIUYPPBCHOEV-UHFFFAOYSA-N 290.250 3.485 5 40 CGBB Nc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 27642778 YHFYMEUEZNOARW-UHFFFAOYSA-N 280.287 3.030 5 40 CGBB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc([N+](=O)[O-])ccc1Cl 249893084 FAQKTCOOVWCSGT-MWODSPESSA-N 294.738 3.167 5 40 CGBB CCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 7781203 YLKDIBMSPSTOJG-SECBINFHSA-N 270.354 3.355 5 40 CGBB O=[N+]([O-])c1ccc(Cl)c(/C=C\c2ncccn2)c1 5119137 VTQOZIYFJSBGCE-DJWKRKHSSA-N 261.668 3.209 5 40 CGBB O=C(OC[C@@H]1C[C@H]2CC[C@H]1C2)c1csc([N+](=O)[O-])c1 107333986 CQRFSZOLLHRUKT-GUBZILKMSA-N 281.333 3.249 5 40 CGBB C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 108335865 MXIPPRVEUBMSCQ-BJDJZHNGSA-N 261.325 3.226 5 40 CGBB O=[N+]([O-])c1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)cc1 100350539 VHKIISPXBQUUJF-UYSYKMHKSA-N 287.315 3.223 5 40 CGBB O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCCC[C@@H]2C1 24153493 DBMUSVAVJRUCDD-NWDGAFQWSA-N 261.325 3.006 5 40 CGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1F 32124948 GXPCBMVJAFOZQT-UHFFFAOYSA-N 275.235 3.091 5 40 CGBB COc1c(C)cccc1C(=O)Nc1ccccc1[N+](=O)[O-] 14258291 NBCBFSZAKKXHNV-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 38992 SQYAIQNKMWPDLW-UHFFFAOYSA-N 291.694 3.204 5 40 CGBB Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 6152000 BNACZIKKAFLTSU-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB C/C=C/C=C/C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 27310602 RZQFWZZAMKVGHS-TWTPFVCWSA-N 260.293 3.228 5 40 CGBB COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 21465796 IIQFHWOSJSYFSH-UHFFFAOYSA-N 281.651 3.295 5 40 CGBB COCCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 63630257 BMQSOYWDFTZSLV-UHFFFAOYSA-N 278.333 3.297 5 40 CGBB CCCCc1cc2c(c(N)n1)c(=O)oc1ccccc12 226756704 DDZBHJVLDAEUTP-UHFFFAOYSA-N 268.316 3.266 5 40 CGBB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccccc1[N+](=O)[O-] 100449331 YRQGIMYHPKDGPX-XYPYZODXSA-N 291.303 3.059 5 40 CGBB CCN(CC)C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 117241 ILVGIAUYQCDGEZ-UHFFFAOYSA-N 288.303 3.337 5 40 CGBB C[N+]1(CCC(=O)c2ccco2)CC2CCC(CC2)C1 1615806 XHNQBPQYDLJHKL-UHFFFAOYSA-N 262.373 3.119 5 40 CGBB in-vitro CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC 1675024 SDEXVKFYBBHUKN-UHFFFAOYSA-N 273.441 3.122 5 40 CGBB in-man CC[n+]1cccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 226778208 UANYPDOSLBZLER-UHFFFAOYSA-N 284.295 3.019 5 40 CGBB COC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])cc1 338759 LDXCGBKZIUEMQG-UHFFFAOYSA-N 271.272 3.357 5 40 CGBB Cc1ccc(NCCO)c2c(=O)c3ccccc3sc12 4824661 GMHLLRHVFDXGKU-UHFFFAOYSA-N 285.368 3.127 5 40 CGBB COc1ccc(NC(=O)c2ccccc2C)cc1[N+](=O)[O-] 6816206 UBNUVEWSDYTYQR-UHFFFAOYSA-N 286.287 3.164 5 40 CGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl 3308611 KXMKFSVIJUWWSF-UHFFFAOYSA-N 292.678 3.000 5 40 CGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@H]1C=CCC1 32748286 YDVYKFHJGZWLOR-OLZOCXBDSA-N 288.347 3.471 5 40 CGBB Cc1cccc2nc(COc3ccccc3[N+](=O)[O-])cn12 35229 YTZUZQFFSLUZDM-UHFFFAOYSA-N 283.287 3.130 5 40 CGBB C[N+](C)(C)Cc1ccccc1CC(=O)c1ccccc1 2022054 MELLSVYYPSDBAN-UHFFFAOYSA-N 268.380 3.318 5 40 CGBB O=[N+]([O-])c1ccc(SCc2ccccc2)c2nonc12 1757975 XEAGLFCHDKJWSY-UHFFFAOYSA-N 287.300 3.423 5 40 CGBB CN(C)C(=S)Nc1ccc2nc3ccccc3nc2c1 107923625 TZWUGABAZXBNKQ-UHFFFAOYSA-N 282.372 3.041 5 40 CGBB CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923672 ZUOPHTCIYFYSGB-FOWTUZBSSA-N 296.326 3.272 5 40 CGBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC[C@@H]1C 45886611 XYQOSFNOTXCKNS-JTQLQIEISA-N 279.296 3.190 5 40 CGBB Cc1c(C(=O)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] 267075 HMPKWPGYYQUZJP-UHFFFAOYSA-N 296.326 3.102 5 40 CGBB CN1CC[C@]23CC=CC[C@@H]2[C@@H]1Cc1ccc([N+](=O)[O-])cc13 103836499 TYALTDRESBQHEV-HYVNUMGLSA-N 284.359 3.059 5 40 CGBB Cc1ccc2c([N+](=O)[O-])ccc(Br)c2n1 26441179 RFTVAXCFWFXWOB-UHFFFAOYSA-N 267.082 3.214 5 40 CGBB Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Cl)c1 216925594 IPGPSYILLXATBL-UHFFFAOYSA-N 288.694 3.374 5 40 CGBB O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 39216433 WHHGIGBKDCWEQP-UHFFFAOYSA-N 266.256 3.351 5 40 CGBB CCCCC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C 45888222 VCGKKQPAVADXFJ-UHFFFAOYSA-N 250.298 3.340 5 40 CGBB Cc1cccc(C(=O)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] 6524577 GCDFYFABQCBFHS-GFCCVEGCSA-N 284.315 3.394 5 40 CGBB O=[N+]([O-])c1ncn(Cc2csc3c(Cl)cccc23)n1 84840754 DUQIDQGBCQXMOF-UHFFFAOYSA-N 294.723 3.103 5 40 CGBB O=C(Cc1ccccc1[N+](=O)[O-])NC1CCCCCCC1 32492770 YUEXDPKVWGKXEA-UHFFFAOYSA-N 290.363 3.366 5 40 CGBB Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])s1 5699233 XHOAAJWWLWNDCA-UHFFFAOYSA-N 280.280 3.356 5 40 CGBB COC(=O)/C(=C/c1cccs1)c1ccc([N+](=O)[O-])s1 69978588 RRGPUXBUFDIWOX-VQHVLOKHSA-N 295.341 3.431 5 40 CGBB CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 75138135 DMUHJGPYBTXOAD-SNVBAGLBSA-N 297.318 3.429 5 40 CGBB CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 73640153 VJGNDDYHWMVAAO-UHFFFAOYSA-N 275.260 3.340 5 40 CGBB CCNc1nc(C)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 36708775 JNTZMIXQZDUMQB-UHFFFAOYSA-N 291.286 3.008 5 40 CGBB CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 19933081 JNWZJYNFTJPJSM-UHFFFAOYSA-N 282.727 3.263 5 40 CGBB O=C1c2cc([N+](=O)[O-])ccc2-c2c(S)cccc21 1705955 DFCQMSLYXDDAKQ-UHFFFAOYSA-N 257.270 3.095 5 40 CGBB COc1cc([N+](=O)[O-])c(-n2cccc2)cc1Cl 52508172 ILFYGBJSMQIDFB-UHFFFAOYSA-N 252.657 3.048 5 40 CGBB O=[N+]([O-])c1c(F)cccc1N[C@H](CCO)c1cccs1 75145298 CHGZOAVUKRAEON-SNVBAGLBSA-N 296.323 3.331 5 40 CGBB CC1=CC(C)(C)N=C(S)N1c1ccc([N+](=O)[O-])cc1 5421581 CPIHDWICCAVJDB-UHFFFAOYSA-N 277.349 3.383 5 40 CGBB Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl 64220098 YDTCHBOCQJBWCF-UHFFFAOYSA-N 251.025 3.118 5 40 CGBB CC[N+](C)(C)C[C@@H]1CCCC[C@]1(O)c1cccc(OC)c1 490001 RJAROMXLRSTRGU-WMZOPIPTSA-N 292.443 3.169 5 40 CGBB biogenic O=Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 60020 JLJJSJNBZGPGHO-BJMVGYQFSA-N 297.266 3.026 5 40 CGBB biogenic CC(C)Oc1ccc(Br)cc1[N+](=O)[O-] 42389362 BAIZWELNDHXHRW-UHFFFAOYSA-N 260.087 3.145 5 40 CGBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 5548255 UVVAJXRUJIBXPD-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 22804762 WZSCECTXUNIICU-HNNXBMFYSA-N 299.330 3.340 5 40 CGBB O=C(O[C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 10449171 BXPVVAJCDGFHFR-HNNXBMFYSA-N 283.283 3.439 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2ccccc21 17024234 OPRFYLSVLHUXLL-UHFFFAOYSA-N 297.314 3.498 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 17022610 IKHPEAQGRLJROV-PHIMTYICSA-N 291.351 3.413 5 40 CGBB Cc1ccccc1[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C 47331224 JWEADXZNMNAXIK-SNVBAGLBSA-N 274.324 3.118 5 40 CGBB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 43879428 ZBGLYSOHRIXRFD-WCQYABFASA-N 291.303 3.059 5 40 CGBB CCCN(CCC)CCc1cccc([N+](=O)[O-])c1 34080146 MBYONJMRGQEVSK-UHFFFAOYSA-N 250.342 3.259 5 40 CGBB in-vitro O=[N+]([O-])c1ccc(/C=C/[n+]2ccc3ccccc3c2)o1 1565739 YLEJLAVIMIGUGC-CSKARUKUSA-N 267.264 3.256 5 40 CGBB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 331300 DKYTXMDJYMJAGI-YGOYTEALSA-N 294.738 3.167 5 40 CGBB CN(C)C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59843410 CVCCTSZNMJOQBF-UHFFFAOYSA-N 294.694 3.210 5 40 CGBB Cc1ccc(C(=O)Nc2ccsc2)cc1[N+](=O)[O-] 72288162 VAYGUIYBTZXHGN-UHFFFAOYSA-N 262.290 3.217 5 40 CGBB O=[N+]([O-])c1ccc2nn(Cc3cccc(F)c3)cc2c1 66354214 VKTLNNHESRZDEY-UHFFFAOYSA-N 271.251 3.132 5 40 CGBB Cc1ccc(-c2nc3ccccn3c2C=O)cc1[N+](=O)[O-] 36138717 RALORJMXRVETPR-UHFFFAOYSA-N 281.271 3.030 5 40 CGBB CC(C)OC(=O)c1cccc2c([N+](=O)[O-])cccc12 40545892 WLFROGWSWNIKCH-UHFFFAOYSA-N 259.261 3.313 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F 22590087 ZTIVKNWYMPFWNK-UHFFFAOYSA-N 278.214 3.125 5 40 CGBB Cc1ccsc1/C=C/c1onc(C)c1[N+](=O)[O-] 9295469 JCMYWAGOGPOSKN-ONEGZZNKSA-N 250.279 3.432 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 17022613 IKHPEAQGRLJROV-QWRGUYRKSA-N 291.351 3.413 5 40 CGBB O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 33979745 CEYBCWUOMMOBMH-UHFFFAOYSA-N 266.256 3.307 5 40 CGBB COC(=O)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 73642016 YZQJJFVVAQQRJO-UHFFFAOYSA-N 298.254 3.190 5 40 CGBB Cc1cc([N+](=O)[O-])ccc1NCCc1nccn1C(F)F 80611080 XLOIBSZBRLFADC-UHFFFAOYSA-N 296.277 3.149 5 40 CGBB O=[N+]([O-])c1ccc(F)c(OC(Cl)(Cl)Cl)c1 95215568 SHVBFGPZSJEQIM-UHFFFAOYSA-N 274.462 3.440 5 40 CGBB Cc1c(NC(=O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] 12825537 XTBQZGMUSSQMIG-UHFFFAOYSA-N 292.241 3.434 5 40 CGBB C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 5533589 RDGLGHADSRYBFW-VIFPVBQESA-N 282.727 3.120 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CC[C@H]1C2 104263270 ZOBBQGZZHLXAHB-ZPFDUUQYSA-N 261.325 3.226 5 40 CGBB O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccccn1 5701189 DZJUZYHLDKWARS-UHFFFAOYSA-N 277.711 3.298 5 40 CGBB CC[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100716385 NKLPFSZKMVOBNM-IJEWVQPXSA-N 254.438 3.314 5 40 CGBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3ccc(F)cc3)n2)c1 40175837 NYSQKODJBATSCU-UHFFFAOYSA-N 284.250 3.186 5 40 CGBB CCCN(C(=O)c1cscn1)c1cccc([N+](=O)[O-])c1 194146582 ZSABNAIHRAEUEA-UHFFFAOYSA-N 291.332 3.108 5 40 CGBB O=Cc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3844963 KOGAWECZSJQKJW-AATRIKPKSA-N 298.254 3.486 5 40 CGBB O=[N+]([O-])c1cccnc1Oc1ccc2ccncc2c1 7777712 SABFWTTYKZIBBZ-UHFFFAOYSA-N 267.244 3.330 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCCC1 9256894 CDFBPRCEOIBCIK-UHFFFAOYSA-N 263.297 3.003 5 40 CGBB CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccnc1 97113597 ANZUWAWDRMHZCU-VMPITWQZSA-N 283.331 3.135 5 40 CGBB COc1cc(NC[C@H](C)c2nccs2)ccc1[N+](=O)[O-] 230611168 IUXUAYJOWJQBDR-VIFPVBQESA-N 293.348 3.276 5 40 CGBB Cc1cn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 36108814 JNEYVESGYDQMHN-UHFFFAOYSA-N 259.290 3.279 5 40 CGBB O=C(OC/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 1602790 XCMXILLCTHAGGD-QPJJXVBHSA-N 283.283 3.465 5 40 CGBB O=c1oc2c(-c3ccccc3[N+](=O)[O-])cc(O)cc2s1 538779 PKCIITVQCFGKJK-UHFFFAOYSA-N 289.268 3.135 5 40 CGBB O=C(Nc1nc(=S)ss1)c1cccc([N+](=O)[O-])c1 3104753 YVRVGGPZCLVDKN-UHFFFAOYSA-N 299.358 3.095 5 40 CGBB O=C(c1ccccc1)c1ccc(N2CCC2)c([N+](=O)[O-])c1 12527752 OONVCSZEYCXRMU-UHFFFAOYSA-N 282.299 3.036 5 40 CGBB COc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2o1 216732219 SNPIVDIPQHOROZ-UHFFFAOYSA-N 270.244 3.412 5 40 CGBB C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 41155542 HRFOFZOBRIBMEA-NSHDSACASA-N 298.298 3.023 5 40 CGBB CCNC(=S)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl 255190055 URSVSSGXXJUWOU-UHFFFAOYSA-N 295.147 3.175 5 40 CGBB CCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 360771 QGCGDHKBZFQRIF-UHFFFAOYSA-N 255.273 3.388 5 40 CGBB Sc1nc2cc3c(cc2c2nc4ccccc4n12)OCO3 424511 RZSPRVUJHAKGTH-UHFFFAOYSA-N 295.323 3.053 5 40 CGBB Cc1ccc(-c2nc(Cn3nccc3[N+](=O)[O-])co2)c(C)c1 57516132 HNIRRPHPQGORBG-UHFFFAOYSA-N 298.302 3.111 5 40 CGBB O=C(N[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 16471661 OMZVDYGWMSAVDI-HNNXBMFYSA-N 282.299 3.012 5 40 CGBB Cn1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 535496 IGGILZIEELKLJU-UHFFFAOYSA-N 253.261 3.149 5 40 CGBB CC1(C)Oc2ccc(Nc3ncccc3[N+](=O)[O-])cc2O1 4624020 CTCLFGMWEFMSHV-UHFFFAOYSA-N 287.275 3.241 5 40 CGBB CC(=O)Cn1c2ccc(F)cc2c2nc3ccccc3nc21 9422767 KOOMUAHRURJBLG-UHFFFAOYSA-N 293.301 3.466 5 40 CGBB CC(C)(C)Cc1nnc(NCc2ccc([N+](=O)[O-])cc2)o1 97045497 JZODNWVJNZNVIW-UHFFFAOYSA-N 290.323 3.179 5 40 CGBB O=[N+]([O-])c1ccc2nc(Cc3ccccc3)oc2c1 73640026 RHNBLZYPEXWDMW-UHFFFAOYSA-N 254.245 3.327 5 40 CGBB O=[N+]([O-])c1ccc(NC2[C@H]3CCCC[C@H]23)c(F)c1 101455071 LZZRYCACMDIUSE-UWVGGRQHSA-N 250.273 3.334 5 40 CGBB CN(C)[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 4975122 TURYQPXPVGECME-OAHLLOKOSA-N 254.289 3.226 5 40 CGBB Cc1nn(C)c(N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] 47331082 KWWAQGFDXNUADZ-ZETCQYMHSA-N 296.277 3.088 5 40 CGBB Cc1nc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)no1 9669036 ZNBBOEKYHJVOOJ-UHFFFAOYSA-N 288.307 3.308 5 40 CGBB C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 44315705 HNIWWKYNEXTPNZ-ZETCQYMHSA-N 282.346 3.209 5 40 CGBB O=c1c2ccccc2oc2c1cnc1ccc([N+](=O)[O-])cc12 12880136 DIUORTPOGRQWKG-UHFFFAOYSA-N 292.250 3.403 5 40 CGBB COc1ccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O)cc1 1581311 ICWNENJXDATFIQ-UVTDQMKNSA-N 299.282 3.229 5 40 CGBB CCCC[C@H](CC)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] 24765950 RYDBOSPXRAKBOI-NSHDSACASA-N 293.367 3.322 5 40 CGBB CC(C)N(CCNc1ccc([N+](=O)[O-])cc1)C(C)C 19984577 JJLSMMORYMBMKX-UHFFFAOYSA-N 265.357 3.126 5 40 CGBB O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nccs2)nc1 89794287 BMEYGIJRDGAMBF-NSHDSACASA-N 290.348 3.178 5 40 CGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 558013 XAVHCEPRAQTAOI-UHFFFAOYSA-N 270.288 3.464 5 40 CGBB COC(=O)c1ccccc1Nc1ccccc1[N+](=O)[O-] 4113987 SGNHAYBFPWBEPU-UHFFFAOYSA-N 272.260 3.125 5 40 CGBB CC(=O)O[C@@H]1[C@H]2CCC[C@@H]1CC[C@H]2[N+]1(C)CCCCC1 36367384 KWKSYISARSAIJR-TWMKSMIVSA-N 280.432 3.127 5 40 CGBB COc1ccccc1C(=O)Cc1ccc([N+](=O)[O-])cc1 38126262 UBBGMLKSMRKWPQ-UHFFFAOYSA-N 271.272 3.029 5 40 CGBB Cc1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5549093 SPUYSVPRSCTXFR-UHFFFAOYSA-N 274.251 3.295 5 40 CGBB CCn1c(C(=O)c2ccccc2)nc2cc([N+](=O)[O-])ccc21 16778586 RTMZBKVLQKSPMN-UHFFFAOYSA-N 295.298 3.195 5 40 CGBB Cc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12 4733713 ISVONNYLGIYJIB-UHFFFAOYSA-N 270.248 3.183 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 5048741 REDHCJABWWWJOG-UHIISALHSA-N 272.304 3.136 5 40 CGBB O=C(NC1CCCCC1)OCc1cccc([N+](=O)[O-])c1 16399869 KTQKMIHQOZVZOS-UHFFFAOYSA-N 278.308 3.154 5 40 CGBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(C)C 48264875 XLJCWVXFJBFDHZ-LBPRGKRZSA-N 264.325 3.068 5 40 CGBB O=c1oc2ccccc2c(CNc2ccccc2)c1[N+](=O)[O-] 267601 BWZIECBEDZUMEX-UHFFFAOYSA-N 296.282 3.313 5 40 CGBB C[C@@H]1C[N+](Cc2ccccc2)(Cc2ccccc2)O[C@@H]1O 3151203 DNZYVJMPVPIUFD-QAPCUYQASA-N 284.379 3.103 5 40 CGBB O=[N+]([O-])c1cccc2c(O)c(-c3ccccc3)c(O)nc12 36185266 XWRIMEVQDODFAZ-UHFFFAOYSA-N 282.255 3.221 5 40 CGBB in-vivo CCS[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] 75105367 WMTSXWXMNNFWFX-PWSUYJOCSA-N 281.381 3.466 5 40 CGBB O=[N+]([O-])c1ccc2nc(-c3ccc(F)cc3)cn2c1 8855428 NJKNWPSOLIXLGG-UHFFFAOYSA-N 257.224 3.049 5 40 CGBB CCC(O)(CC)CNc1ccc([N+](=O)[O-])c2cccnc12 63992656 UVQWUNVMEHZDOC-UHFFFAOYSA-N 289.335 3.106 5 40 CGBB Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 226292764 MJLJVRTUWMJULJ-OAHLLOKOSA-N 257.289 3.293 5 40 CGBB NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 226256946 YJEYYTWWUVZMRT-ZZXKWVIFSA-N 292.678 3.007 5 40 CGBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 24107038 DAOYGDOHOCGFMB-VIFPVBQESA-N 261.256 3.302 5 40 CGBB O=[N+]([O-])c1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 2023514 MIPOWFJJQUUMTF-UHFFFAOYSA-N 284.231 3.046 5 40 CGBB CCc1cc(NCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905640 KALIYBUMFDXNCZ-UHFFFAOYSA-N 298.346 3.436 5 40 CGBB CCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-] 122033 BLEYVVGMXJJTRI-UHFFFAOYSA-N 283.287 3.308 5 40 CGBB biogenic Cc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cn1 12539351 UZJIFMMMVXUGOE-UHFFFAOYSA-N 269.304 3.383 5 40 CGBB O=[N+]([O-])c1ccc(SCc2cccc([N+](=O)[O-])c2)nc1 159623683 NVYMMEMOBMGZFM-UHFFFAOYSA-N 291.288 3.190 5 40 CGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 12781092 TYFCDSYWYUNOLJ-VIFPVBQESA-N 261.256 3.302 5 40 CGBB O=[N+]([O-])c1ccc(OCC[C@@H]2CCCNC2)c(Cl)c1 42774227 XCTQWLFORJWVPJ-JTQLQIEISA-N 284.743 3.017 5 40 CGBB CC(C)NCCOc1cccc2nc3ccccc3nc12 85392188 ZAXFXXHIOLQAGK-UHFFFAOYSA-N 281.359 3.160 5 40 CGBB CCN(CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 76552575 MXFGRDAVIGZBNZ-UHFFFAOYSA-N 291.229 3.011 5 40 CGBB CSc1ccc(C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 10109358 GLLHZGKFCNVLTL-UHFFFAOYSA-N 294.376 3.189 5 40 CGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC1 23239226 JUZZBRFXARGZJT-UHFFFAOYSA-N 282.299 3.265 5 40 CGBB O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2742170 RCJIDXMKBRNIMU-UHFFFAOYSA-N 290.706 3.178 5 40 CGBB CN(c1ccc(C(=O)O)cc1[N+](=O)[O-])C1CCCCC1 3913785 VSPIHBDRJRMTKQ-UHFFFAOYSA-N 278.308 3.062 5 40 CGBB O=[N+]([O-])c1c(-c2ccccc2)nc2n1Cc1ccccc1-2 26507024 PUHXJRDBDMQKFE-UHFFFAOYSA-N 277.283 3.487 5 40 CGBB CC(C)n1nnnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 8882646 FOEYYUPZAVTKHV-SECBINFHSA-N 293.352 3.016 5 40 CGBB Cc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 124585 TUWMEXJVQMVNGH-UHFFFAOYSA-N 298.298 3.115 5 40 CGBB O=C(Nc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1O 3156692 GRRJJWXJFONNIM-UHFFFAOYSA-N 292.678 3.206 5 40 CGBB C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 71914290 BHQVWYHUJGOTMT-NNNHXZLVSA-N 298.298 3.307 5 40 CGBB Cc1ccc(CNc2ccncc2F)cc1[N+](=O)[O-] 192149984 OWZQXVUONMIQHE-UHFFFAOYSA-N 261.256 3.049 5 40 CGBB COc1cc(CNc2ccccc2F)c([N+](=O)[O-])cc1O 95448691 AARDZZAGZLSNCX-UHFFFAOYSA-N 292.266 3.060 5 40 CGBB O=C(CC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 100522471 PJOADLHPDKWDCC-UHFFFAOYSA-N 269.256 3.051 5 40 CGBB Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 261088 QEPSIRAPSOKGGM-UHFFFAOYSA-N 256.261 3.156 5 40 CGBB Cc1nc([C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C(C)C)n[nH]1 79022775 WCIBQIWEPDDZLN-CYBMUJFWSA-N 289.339 3.139 5 40 CGBB O=C(O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 1711051 NCHLUKFIXIOAPI-UHFFFAOYSA-N 259.217 3.085 5 40 CGBB CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1Br 9235752 VWCQLSNCTGQALQ-AATRIKPKSA-N 286.125 3.484 5 40 CGBB O=C(Nc1cnc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1 96007849 KKFGBCKPFOJEEY-UHFFFAOYSA-N 297.314 3.121 5 40 CGBB Cc1ccc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 5538980 FRWNWEUHAXOFTQ-UHFFFAOYSA-N 284.315 3.393 5 40 CGBB Cc1csc([C@H](Nc2ncccc2[N+](=O)[O-])C2CC2)n1 78381431 AOPFWPKXUOIDLS-LLVKDONJSA-N 290.348 3.318 5 40 CGBB Cc1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 15744945 PSHVGLBTJYOQKC-ZDUSSCGKSA-N 298.342 3.437 5 40 CGBB O=C(CCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 253698 AGDQZJPULREBJW-UHFFFAOYSA-N 288.278 3.305 5 40 CGBB