smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C)c2ccc3c4ccccc4c(C)cc3c2c1 198546436 UGLPREDFUVNEMJ-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE Cc1cc2cc3ccccc3c(Br)c2cc1C 221252972 XWTCUMKTPIJYEZ-UHFFFAOYSA-N 285.184 5.372 5 10 CKBE Cc1cc(N[C@@H](C)CCC(C)(C)C)c([N+](=O)[O-])cc1Cl 2236954078 PWICLKONSSBETP-NSHDSACASA-N 298.814 5.183 5 10 CKBE C[C@@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCCC1 2173471960 ZURKNDBMYBCSSS-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2ccc(Cl)cc2[N+](=O)[O-])C1 2192745541 RXLRAIACWCOKNW-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE Cc1ccc(-c2nc3ccccc3c3cc(C)ccc23)cc1 5330913 KQEFTGCNCXHPJC-UHFFFAOYSA-N 283.374 5.672 5 10 CKBE CC[C@H](Nc1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 2158497789 VANLBULLAOVPGE-LBPRGKRZSA-N 296.798 5.019 5 10 CKBE C[C@@H]1CCCc2nc3c(ccc4ccccc43)c(Cl)c21 2204315552 POHHIFIFIPHZFT-LLVKDONJSA-N 281.786 5.481 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@H](C)CCCC(C)C)cc1Cl 2206595360 RJNMHRWAYFLSRG-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE c1ccc2c(c1)CCc1cc3ccc4ccccc4c3cc1-2 95811423 SNUBUFJMVIEEBG-UHFFFAOYSA-N 280.370 5.759 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899846 MYBGTPYPENMWNB-YPMHNXCESA-N 296.798 5.019 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(ccc12)[C@H]1O[C@@H]1C=C3 100831000 UZKWBBZEYBCHIN-UYAOXDASSA-N 272.347 5.077 5 10 CKBE in-man Cc1cc([N+](=O)[O-])c(Cl)cc1OC1CCCCCCC1 721088103 YDCOXHMIEYSNIN-UHFFFAOYSA-N 297.782 5.048 5 10 CKBE C1=C[CH-]C=C2C=C3C=C4C=CC=CC(=CC(=CC(=C1)C2)C3)C4 103214512 QCXPPMKWDDJDHI-UHFFFAOYSA-N 283.394 5.642 5 10 CKBE c1ccc2c(c1)-c1cc3c(ccc4ccccc43)cc1[C@@H]1O[C@H]21 6118388 HYIJISJPIKQWJG-YADHBBJMSA-N 294.353 5.786 5 10 CKBE Cc1c2ccccc2c(C)c2c1ccc1c(F)cccc12 1632913 CVPDOJLPICSIGR-UHFFFAOYSA-N 274.338 5.902 5 10 CKBE CC(C)(C)[C@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2)CC1 86956702 CTJOPIWOJSDCFD-UONOGXRCSA-N 290.407 5.002 5 10 CKBE Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])c(Cl)c1 2226062267 PLXAHMOBZCUKPY-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE c1cc2sc3c4sccc4sc3c2s1 115358121 HVBNNPNJIAMKAD-UHFFFAOYSA-N 252.410 5.392 5 10 CKBE CCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(Cl)c1 211530220 SQDMGJUSDRGXFZ-NSHDSACASA-N 284.787 5.019 5 10 CKBE O=[N+]([O-])c1ccc(Cl)cc1SCCCCCC1CC1 2227195290 GNENAXVPCJGVKO-UHFFFAOYSA-N 299.823 5.311 5 10 CKBE c1ccc2c(c1)-c1c(c3ccccc3c3ccccc13)[C@H]1N[C@H]21 101237278 PVJBULRDYUGSDW-FGZHOGPDSA-N 293.369 5.359 5 10 CKBE CC[C@H](C)C[C@H](CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229132258 JCODEXJHNRILOK-JQWIXIFHSA-N 298.814 5.183 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 709205395 UULXVJLNZUUCNW-FZMZJTMJSA-N 296.798 5.019 5 10 CKBE CC[C@@H](CCC(C)C)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236877728 QEJYDGWOLUFYHO-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE CC(C)CC(CC(C)C)Nc1ccc(Cl)c([N+](=O)[O-])c1 37060857 CXSSHHASUOHGFE-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2C)CC1 86942256 HXYPQQIFRAXJNT-CABCVRRESA-N 290.407 5.064 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Cl 719298409 NQSFDNVUTATWSX-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2cccc(Cl)c2[N+](=O)[O-])C1 2192746318 VJSZWEVIYMKALF-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE Oc1ccc2c(c1)c1ccccc1c1cc3ccccc3cc21 6118937 KAQLRXMJTBTBCX-UHFFFAOYSA-N 294.353 6.005 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)CC1 86945608 HRVDENSIPQNNLA-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 719296893 HUTBXHYQTYWGJO-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1OCCCCCC(C)C 2284896637 AMQGULSKUHGSFT-UHFFFAOYSA-N 299.798 5.152 5 10 CKBE Clc1nc(-c2ccsc2)nc2c1ccc1ccccc12 165996450 LITCKKZZGGQFPB-UHFFFAOYSA-N 296.782 5.165 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1CSCCCCC1CC1 2228613076 UQJVYWGQHSARIE-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE c1ccc2c(c1)Cc1c(c3ccccc3c3ccccc13)C2 95842089 KLFMBPASUWJAGD-UHFFFAOYSA-N 280.370 5.488 5 10 CKBE Nc1cc2c3c(cc4cccc5ccc1c3c54)-c1ccccc1-2 146306827 WVGOOTWNYBOJKX-UHFFFAOYSA-N 291.353 5.814 5 10 CKBE CCCCCC[N+](CCC)(CCC)Cc1ccccc1 199207533 WADDXUBZOSNPNL-UHFFFAOYSA-N 276.488 5.404 5 10 CKBE CCC1(C)CCC(Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 2171375152 XXWPTFMQNXDCRX-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCCC1 2173472874 PEYNCRZWPSGPFR-LLVKDONJSA-N 296.798 5.019 5 10 CKBE C1=Cc2cc3c4ccccc4ccc3c3cccc1c23 90755089 HSKOKJQCYMCTGU-UHFFFAOYSA-N 252.316 5.630 5 10 CKBE CC(F)(F)c1cc(Cl)c2ccc3ccccc3c2n1 2119064410 VMETWLYYMAGJBQ-UHFFFAOYSA-N 277.701 5.153 5 10 CKBE Cc1ccc(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 2226071075 CDINJCFCGKQNIX-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE C(=C\c1c2ccccc2nc2ccccc12)\c1ccccc1 111336139 QDHGVUVFSCAOBM-PFONDFGASA-N 281.358 5.558 5 10 CKBE Cc1cc([N+](=O)[O-])c(SCC2=CCCCC2)cc1Cl 2266475226 YNILMROKARNKJS-UHFFFAOYSA-N 297.807 5.149 5 10 CKBE Cc1cc(NCC(C)(C)C(C)(C)C)c([N+](=O)[O-])cc1Cl 2236955427 GNBDTXTWJZMUNZ-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE CCCC[C@@H](CC)CNc1cc(C)c([N+](=O)[O-])cc1Cl 2204629728 NGWNZGWBMSEYTJ-GFCCVEGCSA-N 298.814 5.185 5 10 CKBE CCCCC[C@@H](CC)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593281 HXNYUHPCZVCPQD-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE COc1ccc2c(c1)cc(C)c1c3ccccc3ccc21 196194108 YJEVGOVJNRHZST-UHFFFAOYSA-N 272.347 5.463 5 10 CKBE CC(C)c1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1 2234447004 HYWFLLPSRZOSOP-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE CC1CC(C(=O)c2ccc3ccc4cccc5ccc2c3c45)C1 2059984891 IJGXNYMGPKBVDH-UHFFFAOYSA-N 298.385 5.813 5 10 CKBE CCCc1nc2c(ccc3ccccc32)c(Cl)c1Cl 2130772518 XEMAPGOQMQGYQQ-UHFFFAOYSA-N 290.193 5.647 5 10 CKBE CC(C)C(C)(C)CSc1cccc(Cl)c1[N+](=O)[O-] 718724509 NPGUWWGJUPCBFO-UHFFFAOYSA-N 287.812 5.023 5 10 CKBE O=[N+]([O-])c1ccc(NCCCCCCC2CC2)c(Cl)c1 2234192160 PYNBBWURISZRNS-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC=Cc1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-] 1912114564 JKKYTKZQSDLWGK-UHFFFAOYSA-N 289.718 5.074 5 10 CKBE c1ccc2c3c4c(ccc5cccc(c54)[C@@H]4O[C@H]34)cc2c1 2001171 ISBWKKKMLFVMHH-VQTJNVASSA-N 268.315 5.272 5 10 CKBE in-vitro Cc1cccc(-c2c3ccccc3nc3ccccc23)c1 5659642 DOGGTYYFTFGYQM-UHFFFAOYSA-N 269.347 5.363 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1c(Cl)cccc1[N+](=O)[O-] 694716639 XGORGDTXRWYUSO-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204611576 WPTTVJCRNHXXNH-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE CC[C@H](CCC(C)C)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236877727 QEJYDGWOLUFYHO-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 691187261 OKKXMTNOLKSHIH-YPMHNXCESA-N 296.798 5.019 5 10 CKBE CCCC[C@H](CC)CSc1cc(F)cc([N+](=O)[O-])c1 2278364237 STTRSBGNUMIOBT-NSHDSACASA-N 285.384 5.042 5 10 CKBE C[C@H](CC1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 689759424 BNXPQPWBYPEQHI-LLVKDONJSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1ccc(-c2ccc(-c3ccccc3)s2)s1 1616046059 MJXBBLYOWIUDCR-UHFFFAOYSA-N 287.365 5.052 5 10 CKBE CCCCCCSc1cc(Cl)c(C)cc1[N+](=O)[O-] 2263819084 QUILGJNRNLCUOS-UHFFFAOYSA-N 287.812 5.229 5 10 CKBE Cc1ccc2cc(C)c3c4ccccc4ccc3c2c1 198549392 OARLDAXNFWKBIM-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE in-vitro Oc1ccc2c(c1)-c1cc3cccc4ccc5ccc-2c1c5c43 6094841 QWCHTXRTHHPKLZ-UHFFFAOYSA-N 292.337 5.937 5 10 CKBE CCC1(C)CCC(Nc2cccc(Cl)c2[N+](=O)[O-])CC1 2171537167 IUFCQIHIARTKBL-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCCC[C@H](CC)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236884870 QGQLEVBEXFKETL-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CCCC[C@H](CC)CNc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206595368 RNCQGSHRYFOIBY-LBPRGKRZSA-N 298.814 5.185 5 10 CKBE CC[C@H]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899812 VZPICESXBHAECP-AAEUAGOBSA-N 296.798 5.019 5 10 CKBE CC(C)C(C)(C)CSc1ccc([N+](=O)[O-])c(Cl)c1 2218963778 LBCVAHUDEDEHDQ-UHFFFAOYSA-N 287.812 5.023 5 10 CKBE C[C@H](CC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 689770701 ZDOUGAYGRRLMHI-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Cc1cc(N[C@H](C)[C@@H](C)CC(C)C)c(Cl)cc1[N+](=O)[O-] 2204625871 SZYHUEJAXRXBDQ-CMPLNLGQSA-N 298.814 5.039 5 10 CKBE CCCCCC[C@H](C)Oc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206806540 LLFAUUSWQDFFPE-LBPRGKRZSA-N 299.798 5.294 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@@H](C)CCC(C)(C)C)cc1Cl 2206599644 VQURZKDMPGMKQI-NSHDSACASA-N 298.814 5.183 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899816 VZPICESXBHAECP-DGCLKSJQSA-N 296.798 5.019 5 10 CKBE C[C@@H]1CCC[C@H](SCc2cc([N+](=O)[O-])ccc2Cl)C1 110346393 YXRFIAXZQAZOCI-MFKMUULPSA-N 299.823 5.060 5 10 CKBE CC1(C)CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899858 CDNHBAHVBMCHMP-LBPRGKRZSA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709202152 LZPCCPIJHCFEKV-FZMZJTMJSA-N 296.798 5.019 5 10 CKBE CC(C)(C)C(Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 2281568274 VANVTJDLAIHGSK-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CC(C)[C@H](C)Sc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213742911 MGLAHUOZPWQYPI-ZETCQYMHSA-N 294.203 5.038 5 10 CKBE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1 86956718 PGJKUMGLXNKPEX-UONOGXRCSA-N 290.407 5.002 5 10 CKBE O=[N+]([O-])c1ccc2c(ccc3c4ccccc4ccc23)c1 1849856 HYNWUPUJMIJKMW-UHFFFAOYSA-N 273.291 5.054 5 10 CKBE Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1[N+](=O)[O-] 2141816702 WDIHMZNXVOHXSN-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE c1ccc2c(c1)ccc1nc3c(cc12)sc1ccccc13 2003971 VXAKDCGUCHZXLG-UHFFFAOYSA-N 285.371 5.756 5 10 CKBE Cc1c2cccc(C)c2c(C)c2c1ccc1ccccc12 90375853 DVTFHVUXUPURTI-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 110918223 BUQJRMHQCQBCHZ-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1cccc(Oc2c([N+](=O)[O-])ccc(Cl)c2Cl)c1 2103436090 OSYIXEWUYYPLLV-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Brc1cc(C2CC2)nc2c1ccc1ccccc12 2067153760 DQNWAPPXOGADDW-UHFFFAOYSA-N 298.183 5.028 5 10 CKBE Clc1cccc2ccc3c4ccccc4[nH]c3c12 5518067 IODMEDLYHBCMBL-UHFFFAOYSA-N 251.716 5.128 5 10 CKBE Cc1cc([N+](=O)[O-])c(Oc2ccc(Cl)cc2)cc1Cl 2141829478 MYNZEXKXUNPUQJ-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC=Cc1ccccc1Oc1cc(Cl)ccc1[N+](=O)[O-] 2206779218 ISWMOIPIVAZBEP-UHFFFAOYSA-N 289.718 5.074 5 10 CKBE C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCCC1 2157603738 ARWDSBKMGIWQQF-LLVKDONJSA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)-c1cccc3nc4ccccc4c-2c13 31597255 QKNNKYUQAGCZNS-UHFFFAOYSA-N 253.304 5.035 5 10 CKBE CCCCC[C@@H](CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2193624072 UBROUPVAJLPOHU-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE CCCCC[N+](CCCC)(CCCC)CCCCC 140686331 KHQRIXZSDGPKKX-UHFFFAOYSA-N 270.525 5.784 5 10 CKBE Cc1cc(Cl)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1 2231298054 KSCFGNWCCPWCPC-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC(C)C[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985650 ZQCHYWJGPFPTBG-LJQANCHMSA-N 288.390 5.664 5 10 CKBE CC(C)C(C)(C)CSc1cc(Cl)ccc1[N+](=O)[O-] 2085769977 YWRPAVOKODPCJJ-UHFFFAOYSA-N 287.812 5.023 5 10 CKBE C1=C[C@@H]2O[C@H]2c2cc3ccc4cccc5ccc(c21)c3c45 2008437 OLLMQFHYRYHKTD-PXNSSMCTSA-N 268.315 5.051 5 10 CKBE biogenic,in-man Nc1cc2cccc3ccc4cc5ccccc5c1c4c32 2021853 TUBZHGZORWJWIY-UHFFFAOYSA-N 267.331 5.319 5 10 CKBE Fc1cc2ccc3c4c(cc5cccc1c5c24)-c1ccccc1-3 138884896 XXOFJIWUGVSSBI-UHFFFAOYSA-N 294.328 6.371 5 10 CKBE CC(C)C[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985648 ZQCHYWJGPFPTBG-IBGZPJMESA-N 288.390 5.664 5 10 CKBE C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCCC1 2157604693 GRACKBVUZKDAGP-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Oc1cc2ccc3cc4ccccc4c4ccc(c1)c2c34 4655110 KAXJMEFTXJWMLE-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro Cc1cccc2cc3c(ccc4ccccc43)c(C)c12 81946224 VKXBZRGZQZQJJW-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CCCCCC[C@@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 312518870 FROXUVCKZQWWDM-LLVKDONJSA-N 298.814 5.327 5 10 CKBE C[C@H]1CCc2c(nc3c(ccc4ccccc43)c2Cl)C1 1916082424 RDUBZOIEFFFRBN-NSHDSACASA-N 281.786 5.166 5 10 CKBE Cc1ccc(Sc2cccc(Cl)c2[N+](=O)[O-])cc1C 126779974 MQAQZLRQJPWNRH-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE Cc1cc([N+](=O)[O-])c(SC[C@H]2CC[C@@H](C)C2)cc1Cl 2268691869 WSTQKPHKBUYZTL-KOLCDFICSA-N 299.823 5.085 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])CC1 158642646 ZQDXEOBKYKDHEM-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE CCC[C@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 313410786 FYJCAFLCIDVAPT-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE C[C@H]1CCC[C@@H](SCc2cc([N+](=O)[O-])ccc2Cl)C1 110346406 YXRFIAXZQAZOCI-GXFFZTMASA-N 299.823 5.060 5 10 CKBE Clc1c2ccccc2nc2c(-c3ccccc3)cccc12 196201015 XUHXFEWUWHRCKZ-UHFFFAOYSA-N 289.765 5.708 5 10 CKBE CCCCC[C@H](CC)Nc1ccc(Cl)cc1[N+](=O)[O-] 1879209790 QIQYYDWWRFYKBU-LBPRGKRZSA-N 284.787 5.019 5 10 CKBE C[C@H](CC1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 689763722 MEFNCRXSLQEOLC-LLVKDONJSA-N 296.798 5.019 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 689770702 ZDOUGAYGRRLMHI-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCCC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 135436821 WGNYLSXWBHIAOR-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC1(CCNc2c(Cl)cccc2[N+](=O)[O-])CCCCC1 2150587660 QQQKZHCJVZBKES-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CCCCC[C@H](CC)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593282 HXNYUHPCZVCPQD-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CCCCc1cccc2cc3c(ccc4ccccc43)cc12 95852078 HMFLIULWWNWGBP-UHFFFAOYSA-N 284.402 6.489 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2ccc(C)c([N+](=O)[O-])c2)CC1 86942244 PILIVRUBSROIHS-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE CCCC[C@H](CC)CNc1cc(C)c([N+](=O)[O-])cc1Cl 2204629729 NGWNZGWBMSEYTJ-LBPRGKRZSA-N 298.814 5.185 5 10 CKBE CCCC[C@H](CCC)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236957216 ZWHTUNBHTNHHAN-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC1CCC(CSc2ccc([N+](=O)[O-])c(Cl)c2)CC1 2335261310 UNFFKAYUDHAZCZ-UHFFFAOYSA-N 299.823 5.167 5 10 CKBE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccsc2[N+](=O)[O-])CC1 2159442193 RSJPPSUVGWDQIY-NWDGAFQWSA-N 296.436 5.063 5 10 CKBE CCCCC[N+](CCC)(CCCCC)CCCCC 34206841 JZIJYAHEYCCHLE-UHFFFAOYSA-N 270.525 5.784 5 10 CKBE CC1(C)CCC[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901456 NNZAFJWPKXXIOG-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211438516 IFMXFMIJXAIVLL-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 313445491 QFPRMHHEXGYXHL-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Cl 691184980 KEEJMFYGNWOLBZ-FZMZJTMJSA-N 296.798 5.019 5 10 CKBE C1=Cc2c3c1cccc3cc1ccc3ccccc3c21 70666013 ICRHCNSZHYPRNZ-UHFFFAOYSA-N 252.316 5.630 5 10 CKBE in-vitro c1ccc2c(c1)ccc1c3c4c(ccc5c4c(c12)CC5)CC3 95850199 JOSBVBHHXHTLSU-UHFFFAOYSA-N 280.370 5.343 5 10 CKBE CCCC[C@H](CC)CNc1cc(Cl)c([N+](=O)[O-])cc1C 233035425 IVWQETOIEREVCX-LBPRGKRZSA-N 298.814 5.185 5 10 CKBE Cc1ccccc1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl 2226073043 PHGJBVKKZUBSQJ-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCCC1 2173472493 BNMMFZXTUVRMBN-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1ccc(Cl)cc1[N+](=O)[O-] 2159844328 CGQSMYPNSJVVSF-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE CC(C)c1nc2c(C(C)C)cccc2c(Cl)c1[N+](=O)[O-] 2187316909 ZTVXUMADWCZPKP-UHFFFAOYSA-N 292.766 5.043 5 10 CKBE CC1(C)CCC[C@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312414682 XPBVWCFNVIUBOF-NSHDSACASA-N 296.798 5.019 5 10 CKBE Cc1cc(N[C@@H](C)CCCC(C)C)c(Cl)cc1[N+](=O)[O-] 2204630763 ZGVVAZINEZFFPC-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE O=[N+]([O-])c1cccc2c(Nc3ccc(Cl)cc3)cccc12 616220932 FQOUCIYLPASENR-UHFFFAOYSA-N 298.729 5.145 5 10 CKBE Cc1ccc(-c2c3ccccc3nc3ccccc23)cc1 32106110 KORJZGKNZUDLII-UHFFFAOYSA-N 269.347 5.363 5 10 CKBE Cc1ccc2ccc3c4ccccc4c(C)c4ccc1c2c43 95842453 ZLEKZYUYMYKKML-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE Cc1c2ccc3ccccc3c2c(C)c2cccc(F)c12 71610819 LPUIOFMNAMJTCW-UHFFFAOYSA-N 274.338 5.902 5 10 CKBE Cc1c(Cl)nc2c(ccc3ccccc32)c1Cl 693885400 CWGFJSAAYRSHLC-UHFFFAOYSA-N 262.139 5.003 5 10 CKBE CC[C@@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 1927711106 BUNHLLQWNCXMMU-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2C)CC1 86942353 XCENRKPDUCTAFT-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE c1ccc2c(c1)-c1cc3c(ccc4ccccc43)cc1[C@H]1O[C@H]21 104834800 HYIJISJPIKQWJG-FGZHOGPDSA-N 294.353 5.786 5 10 CKBE CCC(CC)(CC)CNc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206589067 JXOBZYRBSNOHPJ-UHFFFAOYSA-N 298.814 5.185 5 10 CKBE C[C@@H]1CCC[C@H](SCc2cccc(Cl)c2[N+](=O)[O-])C1 2228611328 BWBYDHNLZJADOU-PWSUYJOCSA-N 299.823 5.060 5 10 CKBE CCCC1CCC(Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211476524 CSBWXEMIYALXCN-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Cc1cc(NC2(C)CCCCCC2)c([N+](=O)[O-])cc1Cl 2236954865 AKXQWIJWQFPSEN-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE O=C1CCCc2cc3ccc4cccc5ccc(c21)c3c45 104831822 ZIAZPOXTSCKUDZ-UHFFFAOYSA-N 270.331 5.103 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccsc2[N+](=O)[O-])CC1 2159442195 RSJPPSUVGWDQIY-VXGBXAGGSA-N 296.436 5.063 5 10 CKBE O=[N+]([O-])c1cccc2ccc3c4ccccc4ccc3c12 31517666 UIXODYUOGZNODG-UHFFFAOYSA-N 273.291 5.054 5 10 CKBE O=C(Cc1ccc2cc3ccccc3cc2c1)c1ccccc1 205316731 JWCZBJAJBOUKSO-UHFFFAOYSA-N 296.369 5.418 5 10 CKBE CCC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 313422809 FWSFVBHDYSYNLW-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE O=C1CCC[C@H](c2c3ccccc3cc3ccccc23)C1 725425091 FZPGOEBZHSDVAJ-INIZCTEOSA-N 274.363 5.220 5 10 CKBE CCCCC[C@@H](CC)OCc1cc([N+](=O)[O-])ccc1Cl 2207462786 YIWUQHWTOITVIC-CQSZACIVSA-N 299.798 5.124 5 10 CKBE CCCCCC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 135436801 WGNYLSXWBHIAOR-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE c1cc2cc3ccc4cc5ccc6cc(c1)c2c(c34)c65 196414197 GIUTTXOFOWHPLW-UHFFFAOYSA-N 250.300 5.766 5 10 CKBE C/C=C/c1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-] 125302644 JKKYTKZQSDLWGK-QHHAFSJGSA-N 289.718 5.074 5 10 CKBE CCCC[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985538 HTJZDIBVGTYWLA-IBGZPJMESA-N 288.390 5.808 5 10 CKBE c1ccc(-c2cccc3cc4ccccc4nc23)cc1 32265882 IPRGHGCTYDQKFD-UHFFFAOYSA-N 255.320 5.055 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 689763726 MEFNCRXSLQEOLC-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CCC)Nc1c(Cl)cccc1[N+](=O)[O-] 226088243 OXAJTMHUPFXTNJ-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 2159437882 SLUFRTPCOXYSDA-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE C[C@@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1CCCCCC1 2173472949 ZDVJDUPULKURRC-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC(C)c1cc(Cl)c2ccc3ccccc3c2n1 36912923 VBYDRIBSVBIRKZ-UHFFFAOYSA-N 255.748 5.165 5 10 CKBE CC[C@@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 125471916 DILIPMFJSUJMAO-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE Clc1nc(-c2cccs2)nc2cc3ccccc3cc12 165743889 NMMFVRHYKODPFO-UHFFFAOYSA-N 296.782 5.165 5 10 CKBE CCCCCC[C@@H](C)Oc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206806539 LLFAUUSWQDFFPE-GFCCVEGCSA-N 299.798 5.294 5 10 CKBE CCCNc1c(CC)c(C)nc2c1ccc1ccccc12 110112006 YCCFKNSYZQPSIW-UHFFFAOYSA-N 278.399 5.081 5 10 CKBE CCCC[C@H](CC)CSc1cccc(F)c1[N+](=O)[O-] 2278374323 YFIRPDCFQLSZES-NSHDSACASA-N 285.384 5.042 5 10 CKBE CCCCCC[C@@H](C)OCc1cc([N+](=O)[O-])ccc1Cl 36964956 ZZSOCMFDPMFYMZ-GFCCVEGCSA-N 299.798 5.124 5 10 CKBE O[C@H](c1ccc2ccc3cccc4ccc1c2c34)C1CCC1 2059985408 PQTXUIXEXHIEIK-NRFANRHFSA-N 286.374 5.418 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SCC1CCCCC1 2089257097 NVNQXFSDTBSOOZ-UHFFFAOYSA-N 299.823 5.229 5 10 CKBE CC(C)(Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 2150554034 LCCZXHRXUQYBBV-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1ccc2ccc3cccc4c5ccccc5c1c2c34 2383034 MXWQJYPMZBPDRV-UHFFFAOYSA-N 297.313 5.645 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)CC1 86945604 HRVDENSIPQNNLA-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE O=[N+]([O-])c1cccc(NC2CCCCCCCC2)c1Cl 2168753778 LYHMVPAYTDRVMC-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE Cc1cc(Cl)cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 2231312057 UIBNQMTXXIBYHS-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1cc(Cl)cc(Oc2cccc(Cl)c2[N+](=O)[O-])c1 2231323787 XHGCKNDLYKIPJZ-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1cc(C)c(-c2c3ccccc3nc3ccccc23)c(C)c1 222267982 BTFLOAKCZOMKJT-UHFFFAOYSA-N 297.401 5.980 5 10 CKBE CCCCC[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1Cl 1879208189 AWRFFVFWGFVAGK-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Cc1cc(C)c2nc3c(ccc4ccccc43)c(C)c2c1 5419526 ZEQJEFOPTOCNRF-UHFFFAOYSA-N 271.363 5.466 5 10 CKBE C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCCC1 2157604694 GRACKBVUZKDAGP-NSHDSACASA-N 296.798 5.019 5 10 CKBE Cc1c2ccccc2c(CO)c2c1ccc1ccc(F)cc12 6069422 XWCJLBRXSGTDSS-UHFFFAOYSA-N 290.337 5.086 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SC[C@@H]1CC[C@H](C)C1 2268694816 DXLYCUACDKYVCO-GXSJLCMTSA-N 299.823 5.085 5 10 CKBE CCCCC[C@H](CC)Nc1c(Cl)cccc1[N+](=O)[O-] 1879162302 PULBYLFNAIVTHO-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@@H](C[C@H](C)CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229132252 JCODEXJHNRILOK-PWSUYJOCSA-N 298.814 5.183 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])CC1 86942278 LJZBDOFRBZJCGJ-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE O=[N+]([O-])c1ccc(SCCCCCC2CC2)cc1Cl 2227196029 HXNSRXIWKPTQPR-UHFFFAOYSA-N 299.823 5.311 5 10 CKBE CCCCC(=Cc1ccc(Cl)c(Cl)c1C)[N+](=O)[O-] 2318090477 RNRVGGXHZCYVHI-UHFFFAOYSA-N 288.174 5.110 5 10 CKBE CCC[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 313419885 QMJGESFNSFWFMC-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1ccc2c(C)c3c(ccc4ccccc43)c(C)c2c1 95852028 SIMOYBMZOXLETF-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE Cc1cc([N+](=O)[O-])c(S[C@H]2CCC[C@H](C)C2)cc1Cl 2141808989 NYKODKLJJITSAQ-ONGXEEELSA-N 299.823 5.227 5 10 CKBE C[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(C)CCCCC1 2157609481 ZJXBBXLZAROKLR-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CCC)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593309 ILVMPZWFXQKTNF-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE Brc1cccc2oc3c4ccccc4ccc3c12 1775937670 FAHHZSWXOUVTNP-UHFFFAOYSA-N 297.151 5.502 5 10 CKBE Oc1cc2cccc3cc4c5c(ccc1c5c23)-c1ccccc1-4 34108075 ULIYAJHTKVZKJF-UHFFFAOYSA-N 292.337 5.937 5 10 CKBE Cc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1 4829583 JBDXTNVEZNZFCQ-UHFFFAOYSA-N 262.139 5.003 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 2159437885 SLUFRTPCOXYSDA-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)CC1 86945606 HRVDENSIPQNNLA-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE CC(=O)c1ccccc1-c1cc2ccccc2c2ccccc12 90759357 ASMMNEKIHDMDDH-UHFFFAOYSA-N 296.369 5.863 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1cccc([N+](=O)[O-])c1Cl 719297844 MEYWEFZMGGJMTA-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE Nc1cc2cc3ccccc3c3ccc4cccc1c4c23 2021854 BJHPDTFXCVOKGZ-UHFFFAOYSA-N 267.331 5.319 5 10 CKBE CCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl 36971095 ZBMGEKNMFSOOOQ-LLVKDONJSA-N 284.787 5.019 5 10 CKBE C[C@@H]1CCC[C@@H](SCc2ccc(Cl)c([N+](=O)[O-])c2)C1 110346383 XKXRAEXFXYTUCC-ZYHUDNBSSA-N 299.823 5.060 5 10 CKBE CCC1(C)CCC(Nc2cc([N+](=O)[O-])ccc2Cl)CC1 2171372965 IPNRLUVVQJVSKN-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901406 CJHQFLLGCJZWSN-NSHDSACASA-N 296.798 5.019 5 10 CKBE C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1(C)CCCCC1 2157571361 KIOGMHYPBKJTCO-LLVKDONJSA-N 296.798 5.019 5 10 CKBE C[C@H](CC1CCCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 689763415 KYPGAZFFSPWXKP-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Cc1cc2ccc3cc4ccccc4c4ccc(c1C)c2c34 95842458 BKXHRQZQCCZOKZ-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 691187251 OKKXMTNOLKSHIH-AAEUAGOBSA-N 296.798 5.019 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 719300803 UFSZCTUEGWZHSA-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2C)CC1 86942355 XCENRKPDUCTAFT-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE Clc1cccc2oc3cc4ccccc4cc3c12 1848350076 YNPIRTDONNKWJW-UHFFFAOYSA-N 252.700 5.393 5 10 CKBE CC[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 117097446 QCTXZQXMCHOOPR-KRWDZBQOSA-N 260.336 5.027 5 10 CKBE COc1ccc2c(ccc3c4ccccc4c(C)cc23)c1 204876435 MLAHJFNOOYVOCN-UHFFFAOYSA-N 272.347 5.463 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 691188015 QYPBYIAVFHNRHX-YPMHNXCESA-N 296.798 5.019 5 10 CKBE c1ccc2c(Nc3ccncc3)c3ccccc3cc2c1 3145132 WFTXUYRIMPZEDZ-UHFFFAOYSA-N 270.335 5.132 5 10 CKBE Cc1cc([N+](=O)[O-])c(Oc2cccc(Cl)c2)cc1Cl 2141830475 SMDFTEUAWYRPKK-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE c1ccc2c(c1)-c1cc3c(ccc4ccccc43)cc1[C@@H]1O[C@@H]21 104834797 HYIJISJPIKQWJG-VXKWHMMOSA-N 294.353 5.786 5 10 CKBE CC[C@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312391431 SVVPEJSANOIHAZ-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE Cc1ccc(Sc2ccc([N+](=O)[O-])c(Cl)c2)cc1C 2226070101 XLHNKVNLQSZUDN-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE C1=C[C@H]2O[C@H]2c2c1cc1ccc3cccc4ccc2c1c34 2008430 GOEJUYABKOTLJA-OXQOHEQNSA-N 268.315 5.051 5 10 CKBE biogenic,in-man Clc1nc(-c2ccsc2)nc2cc3ccccc3cc12 165744023 DSRIXSDMWUCALL-UHFFFAOYSA-N 296.782 5.165 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211431392 BVEHFMVVAUZJCT-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CC[C@@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 2158494567 IALNXNPYJFPKGX-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1cc2c3ccccc3c(C)cc2c2ccccc12 114184800 VWPUAQJGAUPPIB-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE c1cc2c3c(c1)c1cccc4ccc5ccc(c3c5c41)CC2 199860865 STUHEQLGYKSSCX-UHFFFAOYSA-N 278.354 5.836 5 10 CKBE C[C@H](CC1CCCCC1)Nc1c(Cl)cccc1[N+](=O)[O-] 694716638 XGORGDTXRWYUSO-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCCC(=Cc1cc(-c2cccs2)cs1)[N+](=O)[O-] 2123456374 IUBJUIRAWIZVGR-UHFFFAOYSA-N 293.413 5.284 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)CC(C)C)cc1Cl 2206590914 KOKCFGFAQNXJRO-CMPLNLGQSA-N 298.814 5.039 5 10 CKBE OCc1cc2c3ccccc3cc3ccc4cccc1c4c32 6118182 QFZVPWWLRDQHEP-UHFFFAOYSA-N 282.342 5.230 5 10 CKBE CC(C)CC(CC(C)C)Oc1cccc(Cl)c1[N+](=O)[O-] 2360459598 SILSYLVJYKYDRN-UHFFFAOYSA-N 299.798 5.088 5 10 CKBE Cc1cc([N+](=O)[O-])c(S[C@@H]2CCC[C@H](C)C2)cc1Cl 2141808948 NYKODKLJJITSAQ-GXSJLCMTSA-N 299.823 5.227 5 10 CKBE CCCCC[C@H](CC)N(C)c1ccc([N+](=O)[O-])c(Cl)c1 2234456793 IINSUNNFCKPLNL-LBPRGKRZSA-N 298.814 5.043 5 10 CKBE Cc1c2ccc(F)cc2c(C)c2c1ccc1ccccc12 95852062 LSMDFKIGMKDUOJ-UHFFFAOYSA-N 274.338 5.902 5 10 CKBE CC(C)CCCCCCNc1ccc([N+](=O)[O-])cc1Cl 232542108 XCPYNIYPEJGWOY-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE C[C@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1(C)CCCCC1 2157606779 PVKOZLLYWLGVHL-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCC[C@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 2159438252 VIIYSCHAEALXFL-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE C(=Cc1c2ccccc2cc2ccccc12)c1ccncc1 2297314991 HCWWXYWWSQQPAD-UHFFFAOYSA-N 281.358 5.558 5 10 CKBE O=[N+]([O-])c1cccc(NCC2CCCCCCC2)c1Cl 312247629 BQDVAGKEDKZOPD-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC(C)c1ccccc1Oc1cc(Cl)ccc1[N+](=O)[O-] 2206778620 CKPXZIPLJCSPLB-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1ccc([N+](=O)[O-])c(Cl)c1 2159827642 DFCHMJXTJOJLLE-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)Oc1cc(Cl)c(C)cc1[N+](=O)[O-] 2207470772 UNKJYNRZPYMWLH-GFCCVEGCSA-N 299.798 5.294 5 10 CKBE Cc1cc2ccccc2c2ccc3c(O)cccc3c12 6070530 YJUSKPQLBFFCLV-UHFFFAOYSA-N 258.320 5.160 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709202154 LZPCCPIJHCFEKV-SMDDNHRTSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(NCC(C)(C)CC(C)C)cc1Cl 2206589258 MQAIJPQKKZCOMY-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE Cc1cc(N[C@@H](C)[C@H](C)CC(C)C)c([N+](=O)[O-])cc1Cl 2236956019 MQKMHNFWJLWOHB-PWSUYJOCSA-N 298.814 5.039 5 10 CKBE CCCCc1c2ccccc2c(C(=O)O)c2ccccc12 217390030 CBQNYJJTUMDEBO-UHFFFAOYSA-N 278.351 5.034 5 10 CKBE CC(C)CCCCCCNc1cccc(Cl)c1[N+](=O)[O-] 232542412 LDKAGSXMEAXHLT-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE c1ccc(-c2nc3ccccc3c3cc4ccccc4n23)cc1 140339012 PBACGMMXGWSLTR-UHFFFAOYSA-N 294.357 5.308 5 10 CKBE c1ccc2c(c1)cc1c3c2ccc2cccc(c23)[C@H]2O[C@@H]12 2008017 XGZQLNASOQVQTD-UXHICEINSA-N 268.315 5.272 5 10 CKBE in-man,metabolite CC(C)CC(CC(C)C)Nc1ccc([N+](=O)[O-])c(Cl)c1 211430258 BDGAOMAHIDRSHO-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CCCCCCSCc1cccc(Cl)c1[N+](=O)[O-] 2263800509 FWZWFBVJNVYVCH-UHFFFAOYSA-N 287.812 5.062 5 10 CKBE CC(C)(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 1927658988 HUDJSWFYGDDMRG-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1(C)CCCCC1 2157608347 WRHIGVPNNGRUQO-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCCC[C@@H](C)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593338 IWBNUCYZLMGWHB-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE C[C@@H]1CCC[C@@H](SCc2cc([N+](=O)[O-])ccc2Cl)C1 110346403 YXRFIAXZQAZOCI-ZWNOBZJWSA-N 299.823 5.060 5 10 CKBE CC(C)c1cc2ccccc2c2cc3ccccc3cc12 223577559 NQCBZBMGMJCOBP-UHFFFAOYSA-N 270.375 6.270 5 10 CKBE CCc1c2ccccc2c(CC)c2c1ccc1ccccc12 95852075 CIFPUMMYFBMFKK-UHFFFAOYSA-N 284.402 6.271 5 10 CKBE Cc1cc([N+](=O)[O-])c(OC2CCCCCCC2)cc1Cl 2206808757 HSWRMMXDABHCCZ-UHFFFAOYSA-N 297.782 5.048 5 10 CKBE C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCCC1 2157603739 ARWDSBKMGIWQQF-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCNc1c(C)c(CC)nc2c1ccc1ccccc12 110479952 XYXIONLOOFNXDO-UHFFFAOYSA-N 278.399 5.081 5 10 CKBE c1ccc2c(c1)Cc1ccc3ccc4ccccc4c3c1-2 90755144 FMBIUNYFMCJJEE-UHFFFAOYSA-N 266.343 5.564 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H](C)[C@@H](C)CC(C)C 2153918224 CJBVXIRPXWAXGO-CMPLNLGQSA-N 298.814 5.039 5 10 CKBE Nc1ccc2cccc3c4cccc5cccc(c1c23)c54 2383164 XDCVFPZJEDYBRG-UHFFFAOYSA-N 267.331 5.319 5 10 CKBE Cc1ccc(Sc2cc(Cl)c(C)cc2[N+](=O)[O-])cc1 2141807602 BUJGEMFZSKGGNO-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE Cc1cc2cc3ccc4ccccc4c3cc2cc1C 71618653 GKVUDAZMZLMNJQ-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CCCC1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 37883071 AGAJMRSPGGRCIN-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2ccc([N+](=O)[O-])cc2Cl)C1 2192742216 CFTGXBQTMIQJGN-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE C1=C[C@H]2O[C@H]2c2cc3ccc4cccc5ccc(c21)c3c45 2008434 OLLMQFHYRYHKTD-XLIONFOSSA-N 268.315 5.051 5 10 CKBE biogenic,in-man CCC[C@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2C)CC1 86942351 XCENRKPDUCTAFT-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE COc1ccccc1-c1c2ccccc2nc2ccccc12 167550959 MVWULSRTGYHNNN-UHFFFAOYSA-N 285.346 5.064 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1cccc(Cl)c1[N+](=O)[O-] 2159845362 LJGIXEHXOJGHBE-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE Nc1ccc2ccc3cc4ccccc4c4ccc1c2c34 5162861 WIMQQKPBZXDQBF-UHFFFAOYSA-N 267.331 5.319 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2C)CC1 86942261 HXYPQQIFRAXJNT-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE CN(C)c1ccc(-c2nc3ccccc3c3ccccc23)cc1 5328741 GUNJAKUTKIFMFJ-UHFFFAOYSA-N 298.389 5.121 5 10 CKBE CCCCCC(C)(C)CNc1ccc(Cl)cc1[N+](=O)[O-] 94990361 NMNSKDGDISWEBW-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 689763417 KYPGAZFFSPWXKP-NSHDSACASA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)cc1sc3cccc4ccc2c1c43 6118134 OKEYYZJTTUDDGO-UHFFFAOYSA-N 258.345 5.799 5 10 CKBE CC(C)CC(=Cc1ccc(-c2cccs2)s1)[N+](=O)[O-] 2140980147 QEOJKHGIMQEYDE-UHFFFAOYSA-N 293.413 5.140 5 10 CKBE C(=Cc1c2ccccc2cc2ccccc12)c1ccccc1 2038566042 HCSGQHDONHRJCM-UHFFFAOYSA-N 280.370 6.163 5 10 CKBE CC1(C)CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899822 MMEAJFGDQBUTMM-LBPRGKRZSA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCC[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901448 LWLDOXWRKKQAKP-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE CC1(C)CCCC[C@]1(C)Nc1c(Cl)cccc1[N+](=O)[O-] 2159844022 ABFZORIWCOIEDJ-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE c1cc2ssc3ccc4ssc1c4c23 34261068 WQABVGWPUFXJDQ-UHFFFAOYSA-N 252.410 5.392 5 10 CKBE Cc1cc2c3ccccc3cc(C)c2c2ccccc12 90376980 MAMUUFOIMDXRPP-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1cccc(Cl)c1[N+](=O)[O-] 718954801 JWOGPWHSDPPGOJ-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE CC(C)(Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 2150552873 FVIUFBIPYABOTC-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC(C)=CCC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2190615001 KTFPDYBQANARSP-GFCCVEGCSA-N 296.798 5.103 5 10 CKBE CCCCCC[C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 232951266 JIZGTLNMUNNKAQ-GFCCVEGCSA-N 274.364 5.150 5 10 CKBE CCC[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 313441704 NAARZBRQVVIIKO-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CC)CSc1cc(F)cc([N+](=O)[O-])c1 2278364236 STTRSBGNUMIOBT-LLVKDONJSA-N 285.384 5.042 5 10 CKBE CCC[C@H]1CCC[C@@H](Nc2ccc(C)c([N+](=O)[O-])c2)CC1 86942247 PILIVRUBSROIHS-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE Clc1nc(-c2ccccc2)nc2c1ccc1ccccc12 165996190 MGDQSFNKBCBNDQ-UHFFFAOYSA-N 290.753 5.103 5 10 CKBE CCCC[C@@H](CCC)Nc1cccc(Cl)c1[N+](=O)[O-] 226094671 HGSPGRCEGUGIME-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC1(C)CCC[C@](C)(Nc2cccc(Cl)c2[N+](=O)[O-])C1 2192746317 VJSZWEVIYMKALF-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])CC1 86956708 CFWZKAFSBQSOCS-ZIAGYGMSSA-N 290.407 5.002 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1NC1CCCCCCC1 135434535 LAQABIFZBJQBOR-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE c1ccc2c(c1)ccc1sc3cnc4cnccc4c3c12 252536708 JFRFCDLFPIOZQH-UHFFFAOYSA-N 286.359 5.151 5 10 CKBE O=[N+]([O-])c1cc2ccccc2c2ccc3ccccc3c12 6118327 QLZJJKYYXIPEGC-UHFFFAOYSA-N 273.291 5.054 5 10 CKBE CCCCCC[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 36971535 UYYOSYDGSUUELB-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Cc1cccc2c1ccc1c3ccccc3cc(C)c21 90377120 WYLORHVCADFKHH-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H](C)CCC(C)(C)C 312470396 FURAZXRSMIADCY-LLVKDONJSA-N 298.814 5.183 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1cccc([N+](=O)[O-])c1Cl 691187510 PUGNLQDFOZJHBQ-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709202153 LZPCCPIJHCFEKV-RISCZKNCSA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)Oc1cc(Cl)c([N+](=O)[O-])cc1C 2207458423 SNEXJNNJHZXYDM-GFCCVEGCSA-N 299.798 5.294 5 10 CKBE Cc1cccc2c1ccc1c3occ(C)c3c3ocnc3c21 85948831 ZBXNXVRDRXYXHY-UHFFFAOYSA-N 287.318 5.497 5 10 CKBE Cc1ccc2c(C)cc3cc4ccccc4c4ccc1c2c34 95842456 COUWIODFWWMEFK-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE O=[N+]([O-])c1cc(Cl)ccc1NCC1CCCCCCC1 312170395 OHQZVCRTYTWSNO-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE C[C@H]1CCC[C@H](SCc2cccc(Cl)c2[N+](=O)[O-])C1 2228611325 BWBYDHNLZJADOU-JQWIXIFHSA-N 299.823 5.060 5 10 CKBE CC(C)c1ccc2sc3ccccc3c(=O)c2c1C(C)C 113224863 SUDVPELGFZKOMD-UHFFFAOYSA-N 296.435 5.662 5 10 CKBE CCCCC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(Cl)c1 1879209714 PTYORDHVUCJVDC-LLVKDONJSA-N 284.787 5.019 5 10 CKBE O=[N+]([O-])c1ccc2ccc3nc4ccccc4c4ccc1c2c34 5162815 KMFFXLGXJLRRPO-UHFFFAOYSA-N 298.301 5.040 5 10 CKBE CCCC[C@@H](CCC)Nc1ccc([N+](=O)[O-])c(Cl)c1 1927691998 ZUEFUKJDPBUAFM-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Cc1cccc(Sc2cc(Cl)c(C)cc2[N+](=O)[O-])c1 2141810097 WRIAGDQJYUYWCI-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211438456 IFMXFMIJXAIVLL-NSHDSACASA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)[nH]c1ccc3oc4ccccc4c3c12 1542033368 WQPIMPUXOWHPME-UHFFFAOYSA-N 257.292 5.221 5 10 CKBE CCCCC[C@@H](CC)Nc1cc(Cl)ccc1[N+](=O)[O-] 1879208633 FYKVQISMDFIGDI-GFCCVEGCSA-N 284.787 5.019 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 689760731 GHLFGXDZSOIENF-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 313422810 FWSFVBHDYSYNLW-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1cc2ccccc2c2c(C)cc3ccccc3c12 95818211 XNZPTUHWIUJQKB-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CC(C)c1cc(C(C)C)c2c(=S)c3ccccc3oc2c1 207616041 YZJXQIWERZFMCW-UHFFFAOYSA-N 296.435 6.562 5 10 CKBE C[C@H](CC1CCCCC1)Nc1cccc(Cl)c1[N+](=O)[O-] 694710772 FCEARIFKHABYKF-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCCCC1CC(Nc2cccc(Cl)c2[N+](=O)[O-])C1 2180051865 BXVJENKNUGTNNF-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCC(C)(C)C1CCC(Nc2ccccc2[N+](=O)[O-])CC1 35014138 FHVQFLDODSNTNO-UHFFFAOYSA-N 290.407 5.002 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211431325 BVEHFMVVAUZJCT-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE FC(F)(F)Sc1c2ccccc2cc2ccccc12 643919770 HKIUEWBLXVWJKA-UHFFFAOYSA-N 278.298 5.605 5 10 CKBE C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCCC1 2173472641 PEYNCRZWPSGPFR-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCC[C@H](CC)Oc1cc(Cl)c([N+](=O)[O-])cc1C 2207458425 SNEXJNNJHZXYDM-LBPRGKRZSA-N 299.798 5.294 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 691188006 QYPBYIAVFHNRHX-DGCLKSJQSA-N 296.798 5.019 5 10 CKBE CO/C=C/c1ccc2ccc3cccc4ccc1c2c34 2565927 SGTJXHYDKUXJRK-VAWYXSNFSA-N 258.320 5.201 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(ccc12)[C@H]1O[C@H]1C=C3 70647069 UZKWBBZEYBCHIN-AZUAARDMSA-N 272.347 5.077 5 10 CKBE in-man Cc1cc2ccccc2c2c3ccccc3c3ccccc3c12 503998148 CBVGOILIIDOXIJ-UHFFFAOYSA-N 292.381 6.608 5 10 CKBE in-vitro O[C@@H](c1ccc2ccc3cccc4ccc1c2c34)C1CC1 2059985449 RUFJSELXWUHMEV-HXUWFJFHSA-N 272.347 5.027 5 10 CKBE N[C@@H](c1cccs1)c1cc2ccccc2c2ccccc12 725274928 DVWHHGBUKMWFEF-LJQANCHMSA-N 289.403 5.103 5 10 CKBE C[C@H](Nc1cccc([N+](=O)[O-])c1Cl)C1(C)CCCCC1 2157605813 LVPTYGQQADSGCI-NSHDSACASA-N 296.798 5.019 5 10 CKBE Cc1ccc(Sc2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 2141808890 NOAIXHLRYYPIQO-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1cc(Cl)ccc1[N+](=O)[O-] 2159846680 WGMWALHNBCBRGZ-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE c1cc2ccc3ccc(CN4CCCC4)c4ccc(c1)c2c34 15768084 DJOXUJLIZLPLOR-UHFFFAOYSA-N 285.390 5.180 5 10 CKBE CCCC(=Cc1c(Cl)ccc(Cl)c1Cl)[N+](=O)[O-] 2008987121 WEHFKBWDPRDLST-UHFFFAOYSA-N 294.565 5.065 5 10 CKBE CC[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 2158495355 KUSDAHCPHIFFPP-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CCNc1cc(C(C)(C)C)nc2c1ccc1ccccc12 110112022 KDGNLHKDRWOBIP-UHFFFAOYSA-N 278.399 5.117 5 10 CKBE CCCCC[C@@H](CC)OCc1ccc(Cl)c([N+](=O)[O-])c1 2207462291 UYDXEERATLGCKC-CYBMUJFWSA-N 299.798 5.124 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl 691184986 KEEJMFYGNWOLBZ-SMDDNHRTSA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)ccc1cc3c4c(cccc4c12)CCC3 95933078 CQBUZOZBDTVHSL-UHFFFAOYSA-N 268.359 5.635 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1NCC(C)(C)C(C)(C)C 313421250 XFMDGXLIIWOMRE-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE CCCCCC1CC(Nc2cc([N+](=O)[O-])ccc2Cl)C1 2179958615 XASCIVAELPTKME-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CC)CSCc1cc(F)ccc1[N+](=O)[O-] 2295790837 FSOQIARVEVWGFC-GFCCVEGCSA-N 299.411 5.184 5 10 CKBE c1ccc2c(c1)ccc1c3ccccc3c3ncccc3c21 2040926 ASOZIQLEGCCDBT-UHFFFAOYSA-N 279.342 5.694 5 10 CKBE C[C@@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1(C)CCCCC1 2157606778 PVKOZLLYWLGVHL-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 704391641 RAXUWNVOVUHTNE-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCc1c2ccccc2cc2ccc3ccccc3c12 95852059 ZZIFQBYIKWXEHJ-UHFFFAOYSA-N 256.348 5.709 5 10 CKBE CCCNc1nc2c(ccc3ccccc32)cc1CCC 110313359 FIWXUICUEXSGFE-UHFFFAOYSA-N 278.399 5.162 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1Nc1ccc2ccccc2c1 126682988 DNKJPKSNGRDOFC-UHFFFAOYSA-N 298.729 5.145 5 10 CKBE CCCCC1=C(C)[N+](C)(C)c2ccc3ccccc3c21 166676501 VESJHAILSLENBT-UHFFFAOYSA-N 266.408 5.342 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1ccc([N+](=O)[O-])cc1Cl 2159845168 JIYDFAJVPXIOBY-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE Cc1c2ccccc2cc2c1ccc1ccc(F)cc12 1602134 CCGBZTMYGNQCBD-UHFFFAOYSA-N 260.311 5.594 5 10 CKBE CCCC[C@@H](CCC)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236957215 ZWHTUNBHTNHHAN-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(ccc12)CCCC3 43834437 URVUETLPSZQMCM-UHFFFAOYSA-N 260.380 5.489 5 10 CKBE Clc1cc(-c2ccccc2)nc2c1ccc1ccccc12 36912920 AOKNQTXOAZTNJP-UHFFFAOYSA-N 289.765 5.708 5 10 CKBE CCCCC[C@@H](CC)Nc1cccc(Cl)c1[N+](=O)[O-] 1879162305 PUWYBQIVIUVODH-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC(C)CC(=CC1CCC(C(C)(C)C)CC1)[N+](=O)[O-] 1881396616 BZRFRVAMOTVJTJ-UHFFFAOYSA-N 267.413 5.046 5 10 CKBE CCCCCC(C)(C)CNc1ccc([N+](=O)[O-])c(Cl)c1 1927636990 JAKWDYDURASPHO-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE C[C@@H](O)c1c2ccccc2c2ccc3cccc4ccc1c2c43 31545162 PUSCZGPNNARBNH-CYBMUJFWSA-N 296.369 5.791 5 10 CKBE CCCC(=Cc1ccc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] 2178730435 ZJKAPXXOGHBVNJ-UHFFFAOYSA-N 291.734 5.018 5 10 CKBE CC(C)(C)[C@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2)CC1 86956697 CTJOPIWOJSDCFD-KBPBESRZSA-N 290.407 5.002 5 10 CKBE CC1(C)CCCC[C@]1(C)Nc1cccc(Cl)c1[N+](=O)[O-] 2159845361 LJGIXEHXOJGHBE-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1c(Cl)cccc1[N+](=O)[O-] 718952828 AUJRAMBPCZCCSS-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE CCC[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 81149881 HQAOHWHHJQFYHU-SFHVURJKSA-N 274.363 5.418 5 10 CKBE CCCCCC[C@@H](C)Nc1ccc(Cl)c([N+](=O)[O-])c1 37061006 ZDQJVHIMPDJHRY-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1 86956716 PGJKUMGLXNKPEX-ZIAGYGMSSA-N 290.407 5.002 5 10 CKBE c1ccc2c(c1)ccc1cc3c4c(ccc3cc12)CCCC4 90755161 UYKUFJXADUOEKW-UHFFFAOYSA-N 282.386 6.025 5 10 CKBE c1ccc2c(c1)Cc1c(c3ccccc3c3ccccc13)O2 118615815 NBJKWEHXLWUBOS-UHFFFAOYSA-N 282.342 5.690 5 10 CKBE Fc1c(F)c2cc3ccccc3c3ccc4cccc1c4c23 96347697 LQXHWHJFDOGIIU-UHFFFAOYSA-N 288.296 6.015 5 10 CKBE CCCCCC[C@@H](C)Oc1cc(Cl)c([N+](=O)[O-])cc1C 312378720 BLPNIURWYHTLLX-GFCCVEGCSA-N 299.798 5.294 5 10 CKBE CCCCCCSc1ccc([N+](=O)[O-])c(NCCC)c1 2295764734 WFGJSBIJLZBGGH-UHFFFAOYSA-N 296.436 5.089 5 10 CKBE c1ccc(-c2cc3ccccc3c3nc4ccccc4n23)cc1 39003453 HNOKOSGPBNJJIZ-UHFFFAOYSA-N 294.357 5.308 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 2192730188 RIQBFUSUIFCMQO-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1NCCCC1CCCCC1 694041160 CSLGYLFAVBGTMI-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE Oc1cc2cc3ccccc3c3ccc4cccc1c4c23 4655182 URKORCVBWWKYKY-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro O=[N+]([O-])c1c(Cl)cccc1NCCCCCCC1CC1 2234193109 ZVJOSOGHCBMVTM-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE Cc1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl 2141813688 KRUCHQFSQGKCLG-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC(C)(C)C(Nc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C 2281575505 WBKHQZULFCBXOA-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Oc1c2c3c(ccc4ccc5cccc1c5c43)-c1ccccc1-2 6116861 ZDFADKWBHKVUIB-UHFFFAOYSA-N 292.337 5.937 5 10 CKBE CCCC[C@H](CCC)Nc1c(Cl)cccc1[N+](=O)[O-] 226088249 OXAJTMHUPFXTNJ-NSHDSACASA-N 284.787 5.019 5 10 CKBE CCCC1(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CCCC1 2204606931 VLZUZYBVUBRFII-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE c1cncc(NCc2c3ccccc3cc3ccccc23)c1 90751851 TVTQLNGPKLJKFL-UHFFFAOYSA-N 284.362 5.000 5 10 CKBE CCCC1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 110384278 FHILYNNEQGTZDP-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211431266 BVEHFMVVAUZJCT-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 719302481 YGJYXOVODHNMMK-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)-c1cc3c(ccc4ccccc43)cc1[C@H]1O[C@@H]21 6118387 HYIJISJPIKQWJG-FCHUYYIVSA-N 294.353 5.786 5 10 CKBE CC1(C)CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899861 CDNHBAHVBMCHMP-GFCCVEGCSA-N 296.798 5.019 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899852 MYBGTPYPENMWNB-DGCLKSJQSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])CC1 158642494 ZQDXEOBKYKDHEM-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE c1ccc2c(c1)cc1c3c2ccc2ccc4cccc-1c4c23 2558794 NUYMQZQMXDQUCC-UHFFFAOYSA-N 276.338 6.280 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)CC1 86945602 HRVDENSIPQNNLA-CABCVRRESA-N 290.407 5.064 5 10 CKBE CC(C)c1ccccc1Nc1ccc([N+](=O)[O-])c(Cl)c1 2234247340 WMPKMNBAVZCQGO-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCCC1 2173472528 GAQKEOHBLHHQBA-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2)CC1 86956699 CTJOPIWOJSDCFD-ZIAGYGMSSA-N 290.407 5.002 5 10 CKBE CCCC[C@H](CC)CNc1c([N+](=O)[O-])ccc(Cl)c1C 312860726 YJHLFZLNVWXVIL-LBPRGKRZSA-N 298.814 5.185 5 10 CKBE Cc1ccc(Oc2c([N+](=O)[O-])ccc(Cl)c2Cl)cc1 2103435849 LQVXZTCYCLEPQH-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE O=[N+]([O-])c1cc(F)cc(SCCCCCCC2CC2)c1 2239539809 GGMOVVYGJJRNFX-UHFFFAOYSA-N 297.395 5.187 5 10 CKBE OCc1cccc(-c2c3ccccc3cc3ccccc23)c1 71792074 BXSHJMWXZLFLNT-UHFFFAOYSA-N 284.358 5.152 5 10 CKBE c1cc2c3c(c1)c1cccc4c1c1c(ccc(c31)CC2)CC4 96332328 LHZJGHOQJMSPOM-UHFFFAOYSA-N 280.370 5.343 5 10 CKBE CCCCCC[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] 110383716 XUYUKBAYRYNPMO-NSHDSACASA-N 284.787 5.019 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1Oc1ccc2ccccc2c1 125314730 SGUVLYQCSPSFBI-UHFFFAOYSA-N 299.713 5.194 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2C)CC1 86942348 XCENRKPDUCTAFT-CABCVRRESA-N 290.407 5.064 5 10 CKBE Cc1cc2ccc(O)cc2c2cc(F)c3ccccc3c12 207484851 UDTXXIMONGGAFF-UHFFFAOYSA-N 276.310 5.299 5 10 CKBE Cc1cc(NC2CCCCCCC2)c([N+](=O)[O-])cc1Cl 2236954609 XHGAXKFTWBUEGJ-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CC(C)c1cccc(Nc2cccc(Cl)c2[N+](=O)[O-])c1 126595225 YHDREJQCFLZDEQ-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE c1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1 205489718 UKIUNGIXDFIMST-UHFFFAOYSA-N 294.353 6.406 5 10 CKBE Oc1cc2cccc3ccc4c5ccccc5cc1c4c32 4655181 ZQOKZAPJXRMEJW-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro O=C1CCC[C@@H](c2c3ccccc3cc3ccccc23)C1 725425092 FZPGOEBZHSDVAJ-MRXNPFEDSA-N 274.363 5.220 5 10 CKBE CCC1(C)CCC(Nc2cccc([N+](=O)[O-])c2Cl)CC1 2171372638 GRGMZWWCCYMRGM-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Brc1cc2ccccc2c2oc3ccccc3c12 1775937673 HKOSVJNOASITNN-UHFFFAOYSA-N 297.151 5.502 5 10 CKBE O=C(c1ccc2ccc3cccc4ccc1c2c34)C1CC1 2059984991 PDFBRZSJYLFDBZ-UHFFFAOYSA-N 270.331 5.177 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1cccc(Cl)c1[N+](=O)[O-] 694710773 FCEARIFKHABYKF-NSHDSACASA-N 296.798 5.019 5 10 CKBE C[C@H]1CCc2c1nc1c(ccc3ccccc31)c2Cl 2111975076 XIYDIUIJVZQURS-JTQLQIEISA-N 267.759 5.091 5 10 CKBE CC[C@H](C)CSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213742123 AGUPUBGZHGCBHJ-ZETCQYMHSA-N 294.203 5.040 5 10 CKBE c1ccc2c(c1)cc1c3c2ccc2cccc(c23)[C@@H]2O[C@@H]12 2008020 XGZQLNASOQVQTD-PMACEKPBSA-N 268.315 5.272 5 10 CKBE in-man,metabolite CCC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)CC1 86942387 NQDOZXIJDQLTBQ-LSDHHAIUSA-N 290.407 5.064 5 10 CKBE O[C@H](c1ccc2ccc3cccc4ccc1c2c34)C1CC1 2059985447 RUFJSELXWUHMEV-FQEVSTJZSA-N 272.347 5.027 5 10 CKBE CC(C)=CCC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2190615002 KTFPDYBQANARSP-LBPRGKRZSA-N 296.798 5.103 5 10 CKBE Cc1cc2cccc3ccc4cc5ccccc5c1c4c32 95842444 ZWJRHJOLMBZEMI-UHFFFAOYSA-N 266.343 6.046 5 10 CKBE Cc1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2 95827108 DYGZCALVTOKEJQ-UHFFFAOYSA-N 268.359 5.553 5 10 CKBE Cc1ccc(Sc2cccc(Cl)c2[N+](=O)[O-])c(C)c1 126777183 FCEWQYNHKWPTSN-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE Cc1cc(C)c([N+](=O)[O-])cc1NC(CC(C)C)CC(C)C 159673305 OVLGVYOCUNCKSO-UHFFFAOYSA-N 292.423 5.084 5 10 CKBE CC(C)(Nc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 2150553900 KJLDFQQSYXQUEM-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Cc1cc(-c2ccccc2)c(C)c2c1ccc1ccccc12 67734056 KQDNNOVCVLDHOT-UHFFFAOYSA-N 282.386 6.277 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899836 KNLFMKGVZVADQO-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CC[C@@H](C)c1ccccc1Oc1cccc(F)c1[N+](=O)[O-] 110240591 UDBCWNNYJYNEGO-LLVKDONJSA-N 289.306 5.040 5 10 CKBE Cc1cc(C(C)(C)C)cc(C)c1C[N+](C)(C)C1CCCC1 57940000 PMVOLGKROHZCHM-UHFFFAOYSA-N 288.499 5.120 5 10 CKBE Cc1ccc2ccc3cc4c(ccc5ccccc54)cc3c2c1 95811419 OKVUWFFXNPQIPB-UHFFFAOYSA-N 292.381 6.608 5 10 CKBE CCCCC[C@H](CC)Nc1cccc([N+](=O)[O-])c1Cl 1879208530 FAVRUXNFMUMLSI-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@H]1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 2159437884 SLUFRTPCOXYSDA-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE CC[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 110385741 OEZTXDLUCJXYEG-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE C1=Cc2c(ccc3nc4ccc5ccccc5c4cc23)CC1 6118443 FEKYREOUKCKIGZ-UHFFFAOYSA-N 281.358 5.501 5 10 CKBE CCc1c2ccccc2c(C)c2c1ccc1ccccc12 95852058 KGHAOMPXHGIHAL-UHFFFAOYSA-N 270.375 6.017 5 10 CKBE CC(C)CC(CC(C)C)Nc1ccc([N+](=O)[O-])cc1Cl 36970909 HWFSFDKMUIUMTC-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Cc1ccc(Cl)c2c(=O)c3cc(Cl)ccc3sc12 142055483 UTXHOBSVFUMONP-UHFFFAOYSA-N 295.190 5.030 5 10 CKBE CC[C@@H](C)C[C@@H](CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229132238 JCODEXJHNRILOK-ZYHUDNBSSA-N 298.814 5.183 5 10 CKBE CCCCCC(C)(C)CNc1cc(Cl)ccc1[N+](=O)[O-] 122613500 UHYXBXKBMOGYPC-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE Cc1ccc(Cl)c(Oc2cccc(Cl)c2[N+](=O)[O-])c1 125320594 VJGADZBOUMOPPP-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE O=C(Nc1c2ccccc2cc2ccccc12)c1ccccc1 205343897 MRGYEWYAVKQUEA-UHFFFAOYSA-N 297.357 5.245 5 10 CKBE C[C@@H]1CCc2c1nc1c(ccc3ccccc31)c2Cl 2111975077 XIYDIUIJVZQURS-SNVBAGLBSA-N 267.759 5.091 5 10 CKBE Cc1ccc(C)c(Sc2cc(Cl)ccc2[N+](=O)[O-])c1 2141809728 TWXYQMRWIFCOKY-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CC1(C)CCC[C@](C)(Nc2ccc([N+](=O)[O-])cc2Cl)C1 2192742215 CFTGXBQTMIQJGN-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709202150 LZPCCPIJHCFEKV-BXUZGUMPSA-N 296.798 5.019 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 719300810 UNDNJASAQPBEEH-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CCCCCC1CC(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 2179957419 DQQGXZXYPLKNDQ-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Cc1cccc(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 2226074527 YXXXECKCZKVNEG-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 691188011 QYPBYIAVFHNRHX-WCQYABFASA-N 296.798 5.019 5 10 CKBE Clc1ccc2ccc3ccc(Cl)c4ccc1c2c34 90493953 QBYRCJCPADWWBX-UHFFFAOYSA-N 271.146 5.891 5 10 CKBE in-vitro CCCC[C@@H](CC)CNc1cc(Cl)c([N+](=O)[O-])cc1C 233055235 IVWQETOIEREVCX-GFCCVEGCSA-N 298.814 5.185 5 10 CKBE CC(C)CC(CC(C)C)Nc1ccc(Cl)cc1[N+](=O)[O-] 36971353 DGBRJDRMWCYKSO-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CCCCCC[C@H](C)OCc1ccc(Cl)c([N+](=O)[O-])c1 37404231 QGAVOGUFNGNSSG-LBPRGKRZSA-N 299.798 5.124 5 10 CKBE CCCCC[C@@H](N)c1cc2ccccc2c2ccccc12 575248052 CECKCGLWKOIYOF-HXUWFJFHSA-N 277.411 5.573 5 10 CKBE CC1(C)CCCC[C@@]1(C)Nc1c(Cl)cccc1[N+](=O)[O-] 2159844023 ABFZORIWCOIEDJ-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE c1ccc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc1 90751470 CCIRWPQIFNLNMJ-UHFFFAOYSA-N 278.354 6.251 5 10 CKBE CCc1nc2c(ccc3ccccc32)c(Cl)c1Cl 2067153168 SJAPWTWCADRFQC-UHFFFAOYSA-N 276.166 5.257 5 10 CKBE CCCCCC[C@H](C)OCc1cccc(Cl)c1[N+](=O)[O-] 2236876274 VRTZCZFAVYEINF-LBPRGKRZSA-N 299.798 5.124 5 10 CKBE Clc1ccc(-c2c3ccccc3nc3ccccc23)cc1 34154383 VZRCSQXNWRZMAR-UHFFFAOYSA-N 289.765 5.708 5 10 CKBE COc1cccc2c1ccc1c(C)c3ccccc3c(C)c12 6069436 LJLLJQAPUIVZJF-UHFFFAOYSA-N 286.374 5.772 5 10 CKBE Cc1cc2ccccc2c2ccc3ccc(F)cc3c12 95818206 WYWINKYOWCBNEB-UHFFFAOYSA-N 260.311 5.594 5 10 CKBE c1cc2cc3c4c(ccc5cc6c(c1CCC6)c2c54)CCC3 90751161 ZSZZSGNVFIHJFK-UHFFFAOYSA-N 282.386 5.561 5 10 CKBE O=Nc1c2ccccc2c2ccc3cccc4ccc1c2c43 6117907 ICRDTHCKNWXAFG-UHFFFAOYSA-N 281.314 6.135 5 10 CKBE c1ccc2c(c1)CCc1cc3c(ccc4ccccc43)cc1-2 90755160 CGVKCCJKUPLUIW-UHFFFAOYSA-N 280.370 5.759 5 10 CKBE C[C@H](CC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 689769439 XAIQBKWIPDDKPM-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])CC1 86942276 LJZBDOFRBZJCGJ-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE CCCc1cccc2cc3c(ccc4ccccc43)cc12 95852041 MUVMFAXETLUFCG-UHFFFAOYSA-N 270.375 6.099 5 10 CKBE c1cc2ccc3ccc([C@H]4CCCN4)c4ccc(c1)c2c34 575183542 VMELYHAZBPIMCK-GOSISDBHSA-N 271.363 5.009 5 10 CKBE C[C@@H]1CCc2nc3c(ccc4ccccc43)c(Cl)c2C1 2203304023 MBBJZDSHZRIQQO-LLVKDONJSA-N 281.786 5.166 5 10 CKBE CC1(C)CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901411 CJHQFLLGCJZWSN-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC(C)c1cccc(Oc2cccc(Cl)c2[N+](=O)[O-])c1 125308532 SYZMTYNRQXIBRT-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE CCCCCC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl 94990456 IRUUBHVFSVYFEI-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE Cc1cc2ccc3c4ccccc4cc4ccc(c1C)c2c43 95842454 VMRBTVWTNAWCTJ-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE CCCCCC[C@@H](C)Nc1cccc(Cl)c1[N+](=O)[O-] 125441583 ZTAAHYNRSSHMPT-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C[C@@H]3O 2027149 CHNZFZQGTXDBFI-IBGZPJMESA-N 284.358 5.044 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901402 ZWKVPDWTDSSGDJ-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CC)CNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236956885 WGSRNGABWNXGRO-GFCCVEGCSA-N 298.814 5.185 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SCC1CC(C)(C)C1 2268464492 NWTDDFRNGXILCQ-UHFFFAOYSA-N 299.823 5.085 5 10 CKBE Brc1ccc2c(c1)oc1cccc3cccc2c31 1772820712 WCEBGEPQNMFINU-UHFFFAOYSA-N 297.151 5.502 5 10 CKBE O=[N+]([O-])c1ccc(Cl)cc1NCC1CCCCCCC1 312167293 HCHVPOTZCPIJQA-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43 148504842 OIJKDHDRKJJPGS-UHFFFAOYSA-N 286.418 6.831 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)CC(C)C)cc1Cl 2206590919 KOKCFGFAQNXJRO-PWSUYJOCSA-N 298.814 5.039 5 10 CKBE Cc1cc2c(O)cccc2c2cc3ccccc3cc12 6070451 OFTOPIBLHIACCO-UHFFFAOYSA-N 258.320 5.160 5 10 CKBE Oc1cccc2ccc3cc4c(ccc5ccccc54)cc3c12 6118495 SYQAGIAAIJMPQS-UHFFFAOYSA-N 294.353 6.005 5 10 CKBE S=c1c2cc(Cl)ccc2oc2ccc(Cl)cc12 207339840 PNUJHXKJJPRPSG-UHFFFAOYSA-N 281.163 5.622 5 10 CKBE Cc1cc(Cl)ccc1Oc1cc(Cl)ccc1[N+](=O)[O-] 2141812050 BWFYXSAVSLFYNF-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE C(=C\c1c2ccccc2cc2ccccc12)\c1ccncc1 5932518 HCWWXYWWSQQPAD-KTKRTIGZSA-N 281.358 5.558 5 10 CKBE CCCCC[C@@H](CC)Nc1ccc(Cl)c([N+](=O)[O-])c1 1879208818 HWLUQMOIGBIJQA-LLVKDONJSA-N 284.787 5.019 5 10 CKBE c1ccc2cc3nc4c(ccc5ccccc54)cc3cc2c1 6118612 XVWMDKOMMYJZJO-UHFFFAOYSA-N 279.342 5.694 5 10 CKBE c1ccc(-c2cccc3cc4ccccc4cc23)cc1 59304083 BRSRUYVJULRMRQ-UHFFFAOYSA-N 254.332 5.660 5 10 CKBE Clc1ccc2c3cccc4cccc(c5cccc1c52)c43 140862557 SCQIKQJOYFRONC-UHFFFAOYSA-N 286.761 6.391 5 10 CKBE c1cc2ccc3ccc(C[C@@H]4CCCCN4)c4ccc(c1)c2c34 2060432107 PAGYBQNDPYGYCS-IBGZPJMESA-N 299.417 5.269 5 10 CKBE Cc1ccc(Sc2cc(Cl)ccc2[N+](=O)[O-])cc1C 2141807786 FLVPRTWLTCFEPV-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE Cc1c2ccc3c(c2nc2c1ccc1ccccc12)CCCC3 5419456 LQOBCWOBZYRUBR-UHFFFAOYSA-N 297.401 5.728 5 10 CKBE c1ccc2nc3ccc4nc5ccccc5cc4c3cc2c1 149129618 UNCAYXRSJSUBAI-UHFFFAOYSA-N 280.330 5.089 5 10 CKBE CCCCC[C@H](CC)Nc1cccc(Cl)c1[N+](=O)[O-] 1879162306 PUWYBQIVIUVODH-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 709205393 UULXVJLNZUUCNW-BXUZGUMPSA-N 296.798 5.019 5 10 CKBE CCCCCC1CC(Nc2ccc(Cl)cc2[N+](=O)[O-])C1 2179958703 YJVQOHYLRNMSND-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Nc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1 90600217 NSJJPJYWWKAYMQ-UHFFFAOYSA-N 293.369 5.882 5 10 CKBE CC1(CNc2cccc(Cl)c2[N+](=O)[O-])CCCCCC1 2172656595 RBHKHCODGLVNSH-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC[C@@H](CCC(C)C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 2186036305 GZKFWYTZJHLQRW-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE C[C@H]1CCc2nc3c(ccc4ccccc43)c(Cl)c2C1 2203304024 MBBJZDSHZRIQQO-NSHDSACASA-N 281.786 5.166 5 10 CKBE C1=Cc2ccc3nc4ccc5ccccc5c4cc3c2CC1 6118446 DWBOIABARBCRSQ-UHFFFAOYSA-N 281.358 5.501 5 10 CKBE CC(C)CC(CC(C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1 2360459967 YKFQMCLYSIQUJQ-UHFFFAOYSA-N 299.798 5.088 5 10 CKBE C[C@H]1CCC[C@@H](SCc2ccc(Cl)c([N+](=O)[O-])c2)C1 110346387 XKXRAEXFXYTUCC-CMPLNLGQSA-N 299.823 5.060 5 10 CKBE CC(C)(C)[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985870 YNTVQDGDWXDUDW-FQEVSTJZSA-N 288.390 5.664 5 10 CKBE CCCC[C@H](CC)CSCc1ccc([N+](=O)[O-])cc1F 2295707701 HAIPCDPAYRIHJQ-LBPRGKRZSA-N 299.411 5.184 5 10 CKBE Clc1c(C2CC2)nc2c(ccc3ccccc32)c1Cl 2130765827 YWYYHPJGSWUEHG-UHFFFAOYSA-N 288.177 5.572 5 10 CKBE CCCCCC[C@@H](C)c1c[nH]c2c([N+](=O)[O-])cccc12 232950833 ISZVSYJYPDSXRC-GFCCVEGCSA-N 274.364 5.150 5 10 CKBE CC1(CCNc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 1927659702 PIXSTWIZGUXLON-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE c1ccc2c3c4ccccc4c4c5ccccc5c(c2c1)-c=4-3 201180225 CKDFMWMJCAFTPH-UHFFFAOYSA-N 276.338 5.851 5 10 CKBE CCCC[C@H](CCC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 226090312 ZQFAVDCJKISDSD-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC[C@@H](C)[C@H](N)c1ccc2ccc3cccc4ccc1c2c34 725275207 UNPVCCNWCQKFTP-ASSNKEHSSA-N 287.406 5.630 5 10 CKBE CCCCCC(C)(C)CNc1cccc(Cl)c1[N+](=O)[O-] 125530659 DFEJORKSJBVXAK-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE CCCCC[C@H](CC)Nc1cc(Cl)ccc1[N+](=O)[O-] 1879208634 FYKVQISMDFIGDI-LBPRGKRZSA-N 284.787 5.019 5 10 CKBE c1ccc(-c2cccc3nc4ccccc4cc23)cc1 115285914 INUMMPHTUPBOEU-UHFFFAOYSA-N 255.320 5.055 5 10 CKBE C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1CCCCCC1 2173472879 PUBLYESUXHYYEG-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2ccc(C)c([N+](=O)[O-])c2)CC1 86942245 PILIVRUBSROIHS-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE O=[N+]([O-])c1ccc(NCCCCCCC2CC2)cc1Cl 2234181884 BWDCAPURSUQGKO-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCCC1 2173472808 GAQKEOHBLHHQBA-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCC(=Cc1ccc(-c2ccccc2Cl)s1)[N+](=O)[O-] 1879765560 HEQWVWQRZUQEQR-UHFFFAOYSA-N 293.775 5.096 5 10 CKBE CC(C)c1ccc(Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 2234246080 GYVYGDWLZPQKCM-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE CCC[C@H](Nc1cccc([N+](=O)[O-])c1Cl)C1CCCC1 313443305 OJFMLLUCNHBNAQ-LBPRGKRZSA-N 296.798 5.019 5 10 CKBE Cc1cc(NCC(C)(C)C(C)(C)C)c(Cl)cc1[N+](=O)[O-] 2204628763 AFNALOASUDWGPS-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE CCCc1c(C)cnc2c1ccc1c(CCC)c(C)cnc12 5311226 DGFQWCADBZUDPH-UHFFFAOYSA-N 292.426 5.305 5 10 CKBE CCCCCC[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] 110383713 XUYUKBAYRYNPMO-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Clc1ccc2c(Cl)c3cc(Cl)ccc3nc2c1 196422564 UMHGLGIOPWQTHG-UHFFFAOYSA-N 282.557 5.348 5 10 CKBE C[C@@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1(C)CCCCC1 2157605511 KFQBFQVGOFNNPL-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCC[C@H](CC)CSCc1ccc([N+](=O)[O-])c(F)c1 2295791420 KVXCGZADTUIXBW-LBPRGKRZSA-N 299.411 5.184 5 10 CKBE COc1cccc2cc3c(ccc4cc(C)cc(O)c43)cc12 514288273 ZYLTZNBTJYZBDA-UHFFFAOYSA-N 288.346 5.169 5 10 CKBE biogenic CC(C)c1cccc(Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 2234247474 YKZYUWHCYZYKTR-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE CC(C)c1ccc(Sc2cccc(F)c2[N+](=O)[O-])cc1 109670346 JPQZVRYIXDMUNY-UHFFFAOYSA-N 291.347 5.009 5 10 CKBE C[C@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCCC1 2173469550 ZURKNDBMYBCSSS-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC(C)(C)CSc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997320528 TYQAWMSTTSYXIC-UHFFFAOYSA-N 294.203 5.040 5 10 CKBE CC(C)(Nc1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 2150557651 ZEPGPZMTGSRORB-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1ccc2ccc3c4ccccc4nc4ccc1c2c43 5162817 WHTPKLNBMXPXHD-UHFFFAOYSA-N 298.301 5.040 5 10 CKBE Clc1ccc2[nH]c3ccc4ccccc4c3c2c1 1542033322 FOWVHELGPBRYCI-UHFFFAOYSA-N 251.716 5.128 5 10 CKBE Oc1ccc2ccc3cc4ccccc4c4ccc1c2c34 5935140 GPIRWWPRDKGKPS-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE CC(C)c1ccc(Nc2cccc(Cl)c2[N+](=O)[O-])cc1 126602104 FPTCVEAHLKTMII-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE CCC1(C)CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 2171372863 IDDZZNMVXBKTKS-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Cc1cc(N[C@H](C)[C@H](C)CC(C)C)c([N+](=O)[O-])cc1Cl 2236956020 MQKMHNFWJLWOHB-ZYHUDNBSSA-N 298.814 5.039 5 10 CKBE CCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(Cl)c1 211530124 SQDMGJUSDRGXFZ-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 110385771 LMGRBLHBPPPTTQ-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE CCCCCC(CCCCC)Nc1cccc([N+](=O)[O-])c1 109865177 KDTZHBSKJMQHEO-UHFFFAOYSA-N 292.423 5.536 5 10 CKBE C[C@@H](Nc1cccc([N+](=O)[O-])c1Cl)C1(C)CCCCC1 2157605812 LVPTYGQQADSGCI-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCCCC[C@@H](C)OCc1cccc(Cl)c1[N+](=O)[O-] 2236876273 VRTZCZFAVYEINF-GFCCVEGCSA-N 299.798 5.124 5 10 CKBE C[C@H]1CCCc2c1nc1c(ccc3ccccc31)c2Cl 2202968177 VZJCWWMQYYYPFB-NSHDSACASA-N 281.786 5.481 5 10 CKBE Cc1cc(NCC(C)(C)CC(C)C)c([N+](=O)[O-])cc1Cl 2236954384 UYACGPDXHIYHGP-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE CC(C)(C)C(Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C 2281574378 SEAFIKNZLKIBPP-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Cc1ccccc1Oc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103436238 QNOREKFKNCWXOZ-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE c1ccc2c(c1)Cc1c-2ccc2c1ccc1ccccc12 90755096 JPAMAQWNSMPRLT-UHFFFAOYSA-N 266.343 5.564 5 10 CKBE CCCC[N+](CCCC)(CCCC)CCC(C)C 117910910 YNWKOLFCHXFCSK-UHFFFAOYSA-N 256.498 5.250 5 10 CKBE CCCC[C@@H](CC)COc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206807016 QJHKDBFAKVTXHS-GFCCVEGCSA-N 299.798 5.152 5 10 CKBE CC(C)(C)C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C 2281566176 AMIRHNGDFNAQFD-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Oc1cc2ccc3c4c(cc5cccc1c5c24)-c1ccccc1-3 34108077 QKSSXBSVSWIBCR-UHFFFAOYSA-N 292.337 5.937 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2)CC1 86956696 CTJOPIWOJSDCFD-KGLIPLIRSA-N 290.407 5.002 5 10 CKBE CC1(C)CCC[C@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 697564017 OQLYAUUZKLZPRD-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 719296895 HUTBXHYQTYWGJO-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CCCCCCSc1cc(NCCC)ccc1[N+](=O)[O-] 2295763055 DMJFLCDDUMNYMB-UHFFFAOYSA-N 296.436 5.089 5 10 CKBE COc1ccc2c3ccc(OC)cc3c3ccccc3c2c1 35307227 MDILQAKUYPNNON-UHFFFAOYSA-N 288.346 5.163 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)CC1 86942379 NQDOZXIJDQLTBQ-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE O=[N+]([O-])c1ccccc1-c1cccc2c1oc1ccccc12 114582926 ZPVONLLRBPTGCG-UHFFFAOYSA-N 289.290 5.161 5 10 CKBE CCCC[C@H](CC)COc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206807017 QJHKDBFAKVTXHS-LBPRGKRZSA-N 299.798 5.152 5 10 CKBE Oc1c2ccc3ccccc3c2cc2ccc3ccccc3c12 6118496 WEWYKLLGYQXFFJ-UHFFFAOYSA-N 294.353 6.005 5 10 CKBE Cc1c(C)c2c3ccccc3ccc2c2ccccc12 72170648 SDOJHDGZFOGOFD-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CC[C@H](CCC(C)C)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206590227 AZEKODPFYCUCHR-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE C[C@H]1CCC[C@H](SCc2cc([N+](=O)[O-])ccc2Cl)C1 110346397 YXRFIAXZQAZOCI-GWCFXTLKSA-N 299.823 5.060 5 10 CKBE O=c1cc(/C=C/c2ccccc2)oc2c1ccc1ccccc12 2484583 QTUBLJQKQPSHAO-ZRDIBKRKSA-N 298.341 5.117 5 10 CKBE biogenic CC1(C)CCCC[C@]1(C)Nc1ccc([N+](=O)[O-])cc1Cl 2159845167 JIYDFAJVPXIOBY-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE C[C@@H]1CCCc2c1nc1c(ccc3ccccc31)c2Cl 2202968173 VZJCWWMQYYYPFB-LLVKDONJSA-N 281.786 5.481 5 10 CKBE O=[N+]([O-])c1ccc(Cl)cc1NCCCCCCC1CC1 2234186131 NBKIZGDYSXLQRA-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CCCCC[C@@H](CC)Nc1ccc(Cl)cc1[N+](=O)[O-] 1879209789 QIQYYDWWRFYKBU-GFCCVEGCSA-N 284.787 5.019 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(ccc12)[C@@H]1O[C@@H]1C=C3 70647070 UZKWBBZEYBCHIN-QUCCMNQESA-N 272.347 5.077 5 10 CKBE in-man CCCCC[C@@H](CC)Nc1cccc([N+](=O)[O-])c1Cl 1879208529 FAVRUXNFMUMLSI-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CCCCCCSc1cc(Cl)c([N+](=O)[O-])cc1C 2263819599 XDDMKJWOVPMYJE-UHFFFAOYSA-N 287.812 5.229 5 10 CKBE CC(C)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 1661378 VHLPIUHOHBHFNH-UHFFFAOYSA-N 286.374 5.813 5 10 CKBE CC(C)(C)c1ccc([N+](=O)[O-])cc1CC1CCCCC1 725387829 OJMUWURMRYATJS-UHFFFAOYSA-N 275.392 5.015 5 10 CKBE O=[N+]([O-])c1ccc(Cl)cc1NC1CCCCCCCC1 2168754817 UHQLYTFCPFOZBC-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CC(C)c1cc2ccc3ccccc3c2nc1Cl 110312059 DOCQCHBKDCKTKI-UHFFFAOYSA-N 255.748 5.165 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)CC(C)C)cc1Cl 2206590917 KOKCFGFAQNXJRO-JQWIXIFHSA-N 298.814 5.039 5 10 CKBE Clc1ccc2c(c1)ncc1cnc3cc(Cl)ccc3c12 6094073 FWUWMLQWAPUUNK-UHFFFAOYSA-N 299.160 5.243 5 10 CKBE Cc1cccc2nc3ccccc3c(Oc3ccccc3)c12 206603117 XFDHUSFXMCPNNU-UHFFFAOYSA-N 285.346 5.489 5 10 CKBE CC(C)CCCCCCNc1cc(Cl)ccc1[N+](=O)[O-] 232541470 IHPUQXGBZHSOLL-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE C[C@H]1CC[C@H](CSc2cc(Cl)ccc2[N+](=O)[O-])CC1 2335256218 FRSNLMMAMXHGGR-XYPYZODXSA-N 299.823 5.167 5 10 CKBE Cc1ccc2c(Cl)c3ccccc3c(Cl)c2c1 65740163 HTOMZQOCAIGICG-UHFFFAOYSA-N 261.151 5.608 5 10 CKBE in-vitro c1ccc(-c2c3ccccc3[s+]c3ccccc23)cc1 100631942 FVILORHITBSBLX-UHFFFAOYSA-N 273.380 6.003 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2c(Cl)cccc2[N+](=O)[O-])C1 2192742803 HMOMBJUXFINURH-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE CCCCCC[C@H](C)Nc1cccc(Cl)c1[N+](=O)[O-] 125441702 ZTAAHYNRSSHMPT-NSHDSACASA-N 284.787 5.019 5 10 CKBE c1ccc2c(c1)ccc1c2ncc2ccc3ccccc3c21 96334019 VJKYEEBALQPYGH-UHFFFAOYSA-N 279.342 5.694 5 10 CKBE CCC1(Nc2cc(Cl)c(C)cc2[N+](=O)[O-])CCCCC1 2206801245 GSMJXODZHCDFFS-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCc1ccc(NC(CC(C)C)CC(C)C)cc1[N+](=O)[O-] 37104330 IJFIAHLLKUOLJO-UHFFFAOYSA-N 292.423 5.030 5 10 CKBE CC[C@@H](CCC(C)C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204630367 VSPPMYDBNKBUGC-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE Cc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 2141815408 QAGHTPLPXLTDJK-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CCC(CC)(CC)CNc1cc(C)c([N+](=O)[O-])cc1Cl 2204610730 QGBAFYSIXCMODH-UHFFFAOYSA-N 298.814 5.185 5 10 CKBE O=Nc1ccc2ccc3c4c(cc5ccc1c2c53)CCCC4 6094387 BQARVUKCXRAJKO-UHFFFAOYSA-N 285.346 5.861 5 10 CKBE CC(C)c1nc2c(ccc3ccccc32)c(Cl)c1Cl 2130765006 VVSOYPWOSVNQFK-UHFFFAOYSA-N 290.193 5.818 5 10 CKBE O=[N+]([O-])c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1 8436397 DVYAXLAGSWEPRF-UHFFFAOYSA-N 290.322 5.005 5 10 CKBE CC(C)CC(CC(C)C)Nc1cc(Cl)ccc1[N+](=O)[O-] 36970270 QAEDRQXKUKSULJ-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CCCNc1cc(C(C)C)nc2c1ccc1ccccc12 110112034 CCTOWWPDUREYPP-UHFFFAOYSA-N 278.399 5.333 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1cccc(Cl)c1[N+](=O)[O-] 718954804 JWOGPWHSDPPGOJ-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE CC1CCC(CSc2cccc(Cl)c2[N+](=O)[O-])CC1 2335251543 XEAZDXRSBSOKRT-UHFFFAOYSA-N 299.823 5.167 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 719300812 UNDNJASAQPBEEH-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1ccc(/C=C\c2cc3ccccc3c3ccccc23)cc1 725427298 IFQMSBNZYDQSOZ-PFONDFGASA-N 294.397 6.472 5 10 CKBE Fc1c2ccccc2c2ccc3cccc4ccc1c2c43 1561339 WELROXOUKNZNRH-UHFFFAOYSA-N 270.306 5.876 5 10 CKBE Cc1cc(NC2(C)CCCCCC2)c(Cl)cc1[N+](=O)[O-] 2204620501 BGHNHOVWIPIVLI-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCCCCSc1cc(NCCC)c(C)cc1[N+](=O)[O-] 2206797296 FIDYJMSSIVZOTO-UHFFFAOYSA-N 296.436 5.007 5 10 CKBE CCCCCC[C@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 232983247 JIZGTLNMUNNKAQ-LBPRGKRZSA-N 274.364 5.150 5 10 CKBE CC1(C)CCCC[C@]1(C)Nc1cc(Cl)ccc1[N+](=O)[O-] 2159846679 WGMWALHNBCBRGZ-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE COc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45 137862393 AWKUPXWHDHJBDW-UHFFFAOYSA-N 282.342 5.746 5 10 CKBE Cc1cc(N[C@H](C)[C@@H](C)CC(C)C)c([N+](=O)[O-])cc1Cl 2236956017 MQKMHNFWJLWOHB-CMPLNLGQSA-N 298.814 5.039 5 10 CKBE CCCC[C@H](CCC)Nc1ccc([N+](=O)[O-])c(Cl)c1 1927691999 ZUEFUKJDPBUAFM-NSHDSACASA-N 284.787 5.019 5 10 CKBE Oc1cc2cccc3ccc4cc5ccccc5c1c4c32 4655184 JATVWVYVLWEYNL-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro CC1(C)CCC[C@](C)(Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 2192730187 RIQBFUSUIFCMQO-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CCCC1(Nc2cc(C)c(Cl)cc2[N+](=O)[O-])CCCC1 2236954196 RNIDUMFOAUSJHO-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)CC1 86942378 NQDOZXIJDQLTBQ-CABCVRRESA-N 290.407 5.064 5 10 CKBE c1cc2ccc3ccc4ccc5c6ccc1c6c2c3c45 196486855 QXSDCABVNSUOIG-UHFFFAOYSA-N 250.300 5.766 5 10 CKBE C[C@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1CCCCCC1 2173472763 ZDVJDUPULKURRC-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCC[C@H](N)c1cc2ccccc2c2ccccc12 575248992 CECKCGLWKOIYOF-FQEVSTJZSA-N 277.411 5.573 5 10 CKBE CCCC[C@H](CC)CSCc1cccc([N+](=O)[O-])c1F 2295710258 ZDRBRUMJXIVBQP-LBPRGKRZSA-N 299.411 5.184 5 10 CKBE CCCC[C@H](CCC)Nc1cc(Cl)ccc1[N+](=O)[O-] 226087373 JIQANVLPMUZQNN-LBPRGKRZSA-N 284.787 5.019 5 10 CKBE CC(C)(C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1 86956714 PGJKUMGLXNKPEX-KBPBESRZSA-N 290.407 5.002 5 10 CKBE Cc1cc([N+](=O)[O-])c(SCCCCC2CC2)cc1Cl 2227209581 XDJALUOAHDDUTH-UHFFFAOYSA-N 299.823 5.229 5 10 CKBE CC[C@H](C)c1ccccc1Oc1cccc(F)c1[N+](=O)[O-] 110240594 UDBCWNNYJYNEGO-NSHDSACASA-N 289.306 5.040 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 691187999 QYPBYIAVFHNRHX-AAEUAGOBSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SC[C@H]1CC[C@H](C)C1 2268694819 DXLYCUACDKYVCO-ONGXEEELSA-N 299.823 5.085 5 10 CKBE CCCC1CCC(Nc2cc([N+](=O)[O-])ccc2Cl)CC1 37893401 HTSISWGGQSKBHY-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Clc1nc(-c2cccs2)nc2c1ccc1ccccc12 165996330 FVNIKLIVKFUQCV-UHFFFAOYSA-N 296.782 5.165 5 10 CKBE Cc1ccc(Cl)cc1Oc1cccc(Cl)c1[N+](=O)[O-] 125342369 BFAKNKVOJJWKGV-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC[C@@H](CCC(C)C)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206590228 AZEKODPFYCUCHR-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE c1ccc2cc3c(ccc4ccc5ccccc5c43)cc2c1 2583670 HAJMQPPSPOBCLG-UHFFFAOYSA-N 278.354 6.299 5 10 CKBE Fc1ccc2ccc3c4ccccc4cc4ccc1c2c43 90558517 MIFPAGBVRLCYLC-UHFFFAOYSA-N 270.306 5.876 5 10 CKBE Cc1cc([N+](=O)[O-])c(SCC2CC(C)(C)C2)cc1Cl 2268467769 RWGOWRVVCSYEMJ-UHFFFAOYSA-N 299.823 5.085 5 10 CKBE CC1(C)Cc2nc3c(ccc4ccccc43)c(Cl)c2C1 2202062118 XIVOENUAKPUMPO-UHFFFAOYSA-N 281.786 5.166 5 10 CKBE Cc1ccc2ccc3cc(C(C)(C)C)c(Cl)nc3c2n1 109607351 RCTRSSRXQLKRKV-UHFFFAOYSA-N 284.790 5.042 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1CSCC1CCCCC1 2228610024 KTUGTJFRBVBJKG-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1(C)CCCCC1 2157571362 KIOGMHYPBKJTCO-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC(C)(C)C(Nc1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C 2281567192 IDFSJSBDPGKZLM-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Cc1cccc2c(C)c3c(ccc4ccccc43)c(C)c12 95852029 NQIIOABBGPROQW-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE CC1(C)CCC[C@](C)(Nc2ccc(Cl)cc2[N+](=O)[O-])C1 2192745540 RXLRAIACWCOKNW-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1cccc(Cl)c1NCCCCCCC1CC1 2234193108 ZVAVWYMWTUDEDY-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CCCC[C@@H](CCC)Nc1ccc([N+](=O)[O-])cc1Cl 226088189 PJPFDNPTKFYZLH-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CCCc1ccc(CCC)c2cc3ccccc3cc12 90423733 CALWCMSWKMWPEV-UHFFFAOYSA-N 262.396 5.898 5 10 CKBE CC[C@@H](C)CSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213742122 AGUPUBGZHGCBHJ-SSDOTTSWSA-N 294.203 5.040 5 10 CKBE Cc1cccc2c1[nH]c1cc3c(cc12)[nH]c1c(C)cccc13 6071781 GJLBEBYUZRVGSD-UHFFFAOYSA-N 284.362 5.572 5 10 CKBE Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3=O 2027139 MNJLMJJOUUALAQ-UHFFFAOYSA-N 282.342 5.193 5 10 CKBE c1cc2ccc3c4cccc5ccc(c6ccc(c1)c2c36)c54 90751163 KTUUKOLUMWVAQP-UHFFFAOYSA-N 276.338 6.328 5 10 CKBE CC1(C)CCC[C@](C)(Nc2c(Cl)cccc2[N+](=O)[O-])C1 2192742802 HMOMBJUXFINURH-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])CC1 158642369 ZQDXEOBKYKDHEM-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901404 ZWKVPDWTDSSGDJ-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CC(C)Cc1cc(Cl)c2ccc3ccccc3c2n1 131701021 HERSGCXGHGVBRS-UHFFFAOYSA-N 269.775 5.240 5 10 CKBE CCCCCC1CC(Nc2cccc([N+](=O)[O-])c2Cl)C1 2179957546 GJUPEONMJUCXFH-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 2159438251 VIIYSCHAEALXFL-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CCC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 226090299 ZQFAVDCJKISDSD-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE CC=Cc1ccccc1Oc1ccc([N+](=O)[O-])c(Cl)c1 2234449399 WJCLZKUNAMCTAC-UHFFFAOYSA-N 289.718 5.074 5 10 CKBE CCCC[C@@H](CC)CNc1c([N+](=O)[O-])ccc(Cl)c1C 312860722 YJHLFZLNVWXVIL-GFCCVEGCSA-N 298.814 5.185 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 691183485 GHNVPJZOIJUTNS-SMDDNHRTSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CC)CSc1cccc(F)c1[N+](=O)[O-] 2278374322 YFIRPDCFQLSZES-LLVKDONJSA-N 285.384 5.042 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901445 LWLDOXWRKKQAKP-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE Cc1nc2ccccc2c2[nH]c3cc4ccccc4cc3c12 146419360 FFQKMZZULOIQOS-UHFFFAOYSA-N 282.346 5.331 5 10 CKBE Cc1cc([N+](=O)[O-])c(SCC2CCCCC2)cc1Cl 2141816163 UAAWUXRSGYPMHP-UHFFFAOYSA-N 299.823 5.229 5 10 CKBE Cc1cc([N+](=O)[O-])c(NC2(C)CCCCCC2)cc1Cl 2206590989 BZQZEIYILGIPGO-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE C[C@H]1CCC[C@@H](SCc2cccc(Cl)c2[N+](=O)[O-])C1 2228611321 BWBYDHNLZJADOU-CMPLNLGQSA-N 299.823 5.060 5 10 CKBE O=[N+]([O-])c1c(F)cccc1SCCCCCCC1CC1 2239323395 AMUBOOOAKQPRHO-UHFFFAOYSA-N 297.395 5.187 5 10 CKBE Cc1cc2c3ccccc3cc(C)c2c2cccc(O)c12 6070529 LVOOPPOTUWNMEF-UHFFFAOYSA-N 272.347 5.469 5 10 CKBE CC(C)CCCCCCNc1c(Cl)cccc1[N+](=O)[O-] 232541008 DPKAPWHNMKYIJW-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE c1ccc2c3c4c(ccc5cccc(c54)[C@H]4O[C@H]34)cc2c1 2001170 ISBWKKKMLFVMHH-WOJBJXKFSA-N 268.315 5.272 5 10 CKBE in-vitro Cc1cc([N+](=O)[O-])c(Sc2ccccc2C)cc1Cl 2141809498 RNHDZGDXEABLBI-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE N[C@H](c1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F 72195981 DMRYRLWFVKZHBR-QGZVFWFLSA-N 299.295 5.146 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(c(F)cc12)CCCC3 104948139 QXYAADVFUJBGCF-UHFFFAOYSA-N 278.370 5.628 5 10 CKBE Cc1ccc(Oc2cccc(Cl)c2[N+](=O)[O-])c(Cl)c1 125332752 LRNLZUUVGHKNNN-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE O=[N+]([O-])c1cc(F)cc(Sc2ccc3ccccc3c2)c1 126112405 NEMFHQFJJLIDDG-UHFFFAOYSA-N 299.326 5.038 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)CC(C)C 2153922057 KVAIIQSRXDAPBH-CMPLNLGQSA-N 298.814 5.039 5 10 CKBE CC(C)C/C(=C\c1ccc(-c2ccccc2)cc1)[N+](=O)[O-] 109989994 ZMBIMJWMURUZML-QGOAFFKASA-N 281.355 5.017 5 10 CKBE COc1cc2c(C)c3ccccc3cc2c2ccccc12 5765066 PRLOOJMAUMLKMS-UHFFFAOYSA-N 272.347 5.463 5 10 CKBE Cc1ccc2cc3c(ccc4ccccc43)c3c2c1[C@@H](O)C3 2027264 VDFMUCPEGUQOGZ-IBGZPJMESA-N 284.358 5.044 5 10 CKBE Cc1cc([N+](=O)[O-])c(SC[C@@H]2CC[C@H](C)C2)cc1Cl 2268691867 WSTQKPHKBUYZTL-GXSJLCMTSA-N 299.823 5.085 5 10 CKBE C1=Cc2cc3cc4cc5ccccc5cc4cc3cc2NC1 199867316 OKWPQKQLOLBZHL-UHFFFAOYSA-N 281.358 5.585 5 10 CKBE O=[N+]([O-])c1cc(CSCCCCC2CC2)ccc1Cl 2227194129 BFKJDNFUQFSQEP-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE CC(C)(C)c1cc2ccc3ccccc3c2nc1Cl 103917787 WQBLYXTVJNKXTR-UHFFFAOYSA-N 269.775 5.339 5 10 CKBE Cc1cccc2c(C)c3ccc4ccccc4c3cc12 95852066 CDDPPWIZRARCKC-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1NC1CCCCCCCC1 2168725446 IANOYOMFDOABNA-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CCCCCC(CCCCC)Nc1ccc([N+](=O)[O-])cc1 109869625 PAHLXAKJCXFJKC-UHFFFAOYSA-N 292.423 5.536 5 10 CKBE CCCC[C@H](CCC)Nc1ccc([N+](=O)[O-])cc1Cl 226088199 PJPFDNPTKFYZLH-NSHDSACASA-N 284.787 5.019 5 10 CKBE C[C@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1(C)CCCCC1 2157605513 KFQBFQVGOFNNPL-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCCCCC1CC(Nc2cc(Cl)ccc2[N+](=O)[O-])C1 2179957343 CIOSSBZXUQFDER-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 697564016 OQLYAUUZKLZPRD-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Cc1cc2ccc3c4ccccc4ccc3c2cc1C 90377094 LJVLHKHBUZWKTN-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE CC(C)c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1 2206779160 HZWIVWTZGVDJFD-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE c1ccc2c(c1)ccc1c3ccc4ccccc4c3sc21 5669562 RHACEINAFSEPBJ-UHFFFAOYSA-N 284.383 6.361 5 10 CKBE Cc1ccc(Oc2c3ccccc3nc3ccccc23)cc1 196244421 UHLQKQUPWAPTQB-UHFFFAOYSA-N 285.346 5.489 5 10 CKBE CCCCC(=Cc1ccc(-c2cccs2)s1)[N+](=O)[O-] 2140981673 UZJCIIPJUNRNSU-UHFFFAOYSA-N 293.413 5.284 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1NC1(C)CCCCCC1 2150837991 UQSHGSNBSSEQBK-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCCCC[C@H](CC)Nc1ccc(Cl)c([N+](=O)[O-])c1 1879208819 HWLUQMOIGBIJQA-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 122599902 GGBNJHFOLQTFQC-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE CCC(=Cc1ccc(-c2cccc(Cl)c2)s1)[N+](=O)[O-] 1899081146 MVKBLFMUBLHIGZ-UHFFFAOYSA-N 293.775 5.096 5 10 CKBE Cc1cc(NCC(C)(C)CC(C)C)c(Cl)cc1[N+](=O)[O-] 2204608677 FXKUBULVKHSCDL-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE CCCCCc1cccc2cc3c(ccc4ccccc43)cc12 95852043 YRGQCRCSPPKSOL-UHFFFAOYSA-N 298.429 6.879 5 10 CKBE Cc1cc([N+](=O)[O-])c(NC2CCCCCCC2)cc1Cl 2206595869 LOEYAUDMZZGBSA-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCCCCC[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] 36970622 QKHVVHBIDPRSNE-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899830 KNLFMKGVZVADQO-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE CCCCC[C@H](CC)Nc1cc([N+](=O)[O-])ccc1Cl 1879210726 ZJLCOZRGYNUCGV-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 691187258 OKKXMTNOLKSHIH-WCQYABFASA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12 95775677 XNKVIGSNRYAOQZ-UHFFFAOYSA-N 266.343 5.564 5 10 CKBE CCC[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 313441712 NAARZBRQVVIIKO-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE Cc1c(Cl)cccc1Oc1cc(Cl)ccc1[N+](=O)[O-] 2141818654 WPPGDHUAHRIWJR-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](C)[C@H](C)CC(C)C 2153918226 CJBVXIRPXWAXGO-PWSUYJOCSA-N 298.814 5.039 5 10 CKBE CCCCCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204629830 OWDINKBGAMGBRW-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1SCCCCCC1CC1 2227193279 AZADWXMVYVXEPI-UHFFFAOYSA-N 299.823 5.311 5 10 CKBE CCCC[C@H](CC)CSCc1cc([N+](=O)[O-])ccc1F 2295707298 COPVFENWBNQXOH-LBPRGKRZSA-N 299.411 5.184 5 10 CKBE CC(C)C[C@H](N)c1ccc2ccc3cccc4ccc1c2c34 575244771 XQPYPGRWIGRZBI-IBGZPJMESA-N 287.406 5.630 5 10 CKBE Cc1cc(Cl)ccc1Oc1cccc(Cl)c1[N+](=O)[O-] 125314925 PCSUFGNFQNAKSC-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CCCC1CCC(Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 37893407 UXMQJZABCVWJIC-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 110918220 BUQJRMHQCQBCHZ-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CCCCC[C@H](CC)Nc1c([N+](=O)[O-])ccc(Cl)c1C 2193576151 JNBIEVALBRSVRN-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC(C)CCSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213743596 RLEHIPWCNZIKMK-UHFFFAOYSA-N 294.203 5.040 5 10 CKBE Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])c(Cl)c2)c1 2226069452 RYVMPPLBQHEFLD-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE c1ccc2c3c4c(ccc5cccc(c54)[C@H]4O[C@@H]34)cc2c1 2001172 ISBWKKKMLFVMHH-UXHICEINSA-N 268.315 5.272 5 10 CKBE in-vitro CCCC[C@H](CCC)Nc1cccc(Cl)c1[N+](=O)[O-] 226094679 HGSPGRCEGUGIME-NSHDSACASA-N 284.787 5.019 5 10 CKBE CCCCC(=CC1CCC(C(C)(C)C)CC1)[N+](=O)[O-] 2123456130 GZDGMQUSDAUFJW-UHFFFAOYSA-N 267.413 5.190 5 10 CKBE O=[N+]([O-])c1ccc(NC2CCCCCCCC2)c(Cl)c1 2168752637 HUJQZTFVGGVBBJ-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE C1=C[C@@H]2O[C@H]2c2c1cc1ccc3cccc4ccc2c1c34 2008431 GOEJUYABKOTLJA-OXJNMPFZSA-N 268.315 5.051 5 10 CKBE biogenic,in-man CCCC[C@@H](CCC)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204628867 BSQHOMLPMQRWSG-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE O=[N+]([O-])c1ccc(Cl)c(CSCCCCC2CC2)c1 2227197335 LCCNNYBAGXHGPD-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE O=c1cc(/C=C\c2ccccc2)oc2c1ccc1ccccc12 33248972 QTUBLJQKQPSHAO-BENRWUELSA-N 298.341 5.117 5 10 CKBE O[C@@H](c1ccc2ccc3cccc4ccc1c2c34)C1CCC1 2059985410 PQTXUIXEXHIEIK-OAQYLSRUSA-N 286.374 5.418 5 10 CKBE c1cc2ccc3ccc(C[C@H]4CCCCN4)c4ccc(c1)c2c34 2060432108 PAGYBQNDPYGYCS-LJQANCHMSA-N 299.417 5.269 5 10 CKBE CCC1(C)CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 2171374102 QJYNEOUEMDJECY-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC[C@@H](Nc1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 2158497788 VANLBULLAOVPGE-GFCCVEGCSA-N 296.798 5.019 5 10 CKBE CC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 110385768 LMGRBLHBPPPTTQ-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE Clc1cc(C2CCCC2)nc2c1ccc1ccccc12 133589183 ZHEFLXRSWFJGJK-UHFFFAOYSA-N 281.786 5.699 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 211431186 BVEHFMVVAUZJCT-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE Cc1ccc2nc3ccccc3c(Oc3ccccc3)c2c1 25501968 OPIYPARDXUGRKL-UHFFFAOYSA-N 285.346 5.489 5 10 CKBE Cc1cc(-c2ccccc2)cc2cc3ccccc3cc12 67734080 FJNDRCKPWBQNQL-UHFFFAOYSA-N 268.359 5.968 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899828 KNLFMKGVZVADQO-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])CC1 158642249 ZQDXEOBKYKDHEM-CABCVRRESA-N 290.407 5.064 5 10 CKBE c1ccc2c(c1)-c1c(c3ccccc3c3ccccc13)[C@@H]1N[C@H]21 6117951 PVJBULRDYUGSDW-YADHBBJMSA-N 293.369 5.359 5 10 CKBE CC[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 117097444 QCTXZQXMCHOOPR-QGZVFWFLSA-N 260.336 5.027 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)CC(C)C 2153922059 KVAIIQSRXDAPBH-PWSUYJOCSA-N 298.814 5.039 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SC[C@H]1CC[C@@H](C)C1 2268694817 DXLYCUACDKYVCO-KOLCDFICSA-N 299.823 5.085 5 10 CKBE O=[N+]([O-])c1ccc(NC2CCCCCCC2)c(C(F)F)c1 111289861 CLVWJUNSKXTKAR-UHFFFAOYSA-N 298.333 5.057 5 10 CKBE c1ccc2cc3cc4c(ccc5ccccc54)cc3cc2c1 2558783 JTRPLRMCBJSBJV-UHFFFAOYSA-N 278.354 6.299 5 10 CKBE biogenic Cc1c(Cl)cccc1Oc1ccc([N+](=O)[O-])c(Cl)c1 2226066024 NWACQSLOYBQXGP-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SCCCCC1CC1 2227209376 VYFSTHRQHZWZFV-UHFFFAOYSA-N 299.823 5.229 5 10 CKBE O=[N+]([O-])c1ccc(NC2CCCCCCCC2)cc1Cl 2168752639 HURUUQOFQKHWAP-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CCC[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 81149882 HQAOHWHHJQFYHU-GOSISDBHSA-N 274.363 5.418 5 10 CKBE CC[C@H](C)[C@H](N)c1ccc2ccc3cccc4ccc1c2c34 725275208 UNPVCCNWCQKFTP-ZSEKCTLFSA-N 287.406 5.630 5 10 CKBE CCCC[N+](CCCC)(CCCC)Cc1ccc(C)cc1 141635971 CIHYGEDMPKDDHP-UHFFFAOYSA-N 290.515 5.712 5 10 CKBE Cc1nc2c(ccc3ccccc32)c(Cl)c1Cl 2014078788 ZXSZUYCMXHDHQG-UHFFFAOYSA-N 262.139 5.003 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](C)CCC(C)(C)C 312470398 FURAZXRSMIADCY-NSHDSACASA-N 298.814 5.183 5 10 CKBE O=[N+]([O-])c1ccc(Cl)c(CSCC2CCCCC2)c1 2089255265 XPCNWTMGSDMUMM-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE Cc1ccc2ccc3c4ccccc4cc4ccc1c2c43 95842447 PIAGFISXZFTFAL-UHFFFAOYSA-N 266.343 6.046 5 10 CKBE CCCC[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985539 HTJZDIBVGTYWLA-LJQANCHMSA-N 288.390 5.808 5 10 CKBE CCCCc1c2ccccc2c(C(=O)OC)c2ccccc12 607716107 SAFMXUKQUMLOBT-UHFFFAOYSA-N 292.378 5.122 5 10 CKBE Cc1ccc(Cl)c(Oc2cc(Cl)ccc2[N+](=O)[O-])c1 2141813078 HNENXVNUWOCIDL-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1cc2ccccc2c2cc([N+](=O)[O-])c3ccccc3c12 6070535 OMBRRTHRPGDGPK-UHFFFAOYSA-N 287.318 5.363 5 10 CKBE CCCC[C@@H](CCC)Nc1ccc(Cl)cc1[N+](=O)[O-] 226088088 SLZZSUFCUOLUNP-GFCCVEGCSA-N 284.787 5.019 5 10 CKBE CCCCC[C@H](CC)N(C)c1cccc(Cl)c1[N+](=O)[O-] 2193692333 YMPRQRVTSRVWFG-LBPRGKRZSA-N 298.814 5.043 5 10 CKBE CCCCCCSc1cccc(NCCC)c1[N+](=O)[O-] 2295765598 FIYJABTULJMKKA-UHFFFAOYSA-N 296.436 5.089 5 10 CKBE Clc1c2ccccc2nc2ccc3ccccc3c12 31847913 LGYVQEWYOFPNHV-UHFFFAOYSA-N 263.727 5.195 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 719302482 YGJYXOVODHNMMK-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1cc(N[C@H](C)CCCC(C)C)c([N+](=O)[O-])cc1Cl 2236955327 FSTAWMMYTLTYAB-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE O=C(CC(F)(F)F)c1cc2ccccc2c2ccccc12 575358924 KNYXMLKBYBWKGH-UHFFFAOYSA-N 288.268 5.128 5 10 CKBE c1cc2ccc3cc([C@@H]4CCCN4)cc4ccc(c1)c2c34 1537956321 CWFWNIPVVHRABD-SFHVURJKSA-N 271.363 5.009 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl 691184976 KEEJMFYGNWOLBZ-BXUZGUMPSA-N 296.798 5.019 5 10 CKBE CCCCCC[C@H](C)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593339 IWBNUCYZLMGWHB-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899819 VZPICESXBHAECP-WCQYABFASA-N 296.798 5.019 5 10 CKBE Cc1ccc2nc3c4ccccc4[nH]c4cccc(c2c1)c43 100256039 LNQMGWPAUUNCQR-UHFFFAOYSA-N 282.346 5.331 5 10 CKBE CC(=O)c1ccccccccccccccccc1 198695550 WULJIFIZVOJEEZ-UHFFFAOYSA-N 276.379 5.262 5 10 CKBE CCC[C@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 313418230 OSOVFCRPSWROBR-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE O=Nc1cc2c3ccccc3ccc2c2ccccc12 33640970 BGCUVRJKBSXIDZ-UHFFFAOYSA-N 257.292 5.544 5 10 CKBE O=[N+]([O-])c1cc(NCC2CCCCCCC2)ccc1Cl 312154109 DLUTVLNXTMTYLG-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE Cc1cc(N[C@@H](C)[C@H](C)CC(C)C)c(Cl)cc1[N+](=O)[O-] 2204625873 SZYHUEJAXRXBDQ-PWSUYJOCSA-N 298.814 5.039 5 10 CKBE CCCNc1cc(C(F)F)nc2c1ccc1ccccc12 61629617 CUHVZSWCHSFGDG-UHFFFAOYSA-N 286.325 5.148 5 10 CKBE Cc1cc(-c2ccccc2)c2ccc3ncnc4ccc1c2c43 4109013 JRFUXCZDBFZAJL-UHFFFAOYSA-N 294.357 5.349 5 10 CKBE CC(C)[C@@H](C)Sc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213742910 MGLAHUOZPWQYPI-SSDOTTSWSA-N 294.203 5.038 5 10 CKBE CCCCCC[C@@H](C)Nc1cc([N+](=O)[O-])ccc1Cl 37060081 TYGNRRKHAQTOGD-LLVKDONJSA-N 284.787 5.019 5 10 CKBE Cc1c(C(F)(F)F)nc2c(ccc3ccccc32)c1Cl 111308040 YIFODLOOQPSDRO-UHFFFAOYSA-N 295.691 5.369 5 10 CKBE CCCCC[C@H](CC)Oc1cc(Cl)c(C)cc1[N+](=O)[O-] 2207470774 UNKJYNRZPYMWLH-LBPRGKRZSA-N 299.798 5.294 5 10 CKBE Cc1cc([N+](=O)[O-])c(SC[C@@H]2CC[C@@H](C)C2)cc1Cl 2268691870 WSTQKPHKBUYZTL-MWLCHTKSSA-N 299.823 5.085 5 10 CKBE Cc1cc(C)c2c(ccc3c4ccccc4cc(C)c32)c1 206736512 ZXVDQWJQSWZVCG-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE CCCCc1ccc2[nH]c3c4ccccc4ccc3c2c1 5310398 YVPPLLWDRILJAT-UHFFFAOYSA-N 273.379 5.817 5 10 CKBE C[C@@H]1CCC[C@@H](SCc2cccc(Cl)c2[N+](=O)[O-])C1 2228611331 BWBYDHNLZJADOU-ZYHUDNBSSA-N 299.823 5.060 5 10 CKBE CCCCCC[C@H](C)OCc1cc([N+](=O)[O-])ccc1Cl 36964957 ZZSOCMFDPMFYMZ-LBPRGKRZSA-N 299.798 5.124 5 10 CKBE CC(C)(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 2150555795 RKLUUXCZVGNZDH-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCCCC[C@H](C)Nc1ccc(Cl)c([N+](=O)[O-])c1 37061007 ZDQJVHIMPDJHRY-NSHDSACASA-N 284.787 5.019 5 10 CKBE C1=C[C@H]2O[C@@H]2c2c1cc1ccc3cccc4ccc2c1c34 2008427 GOEJUYABKOTLJA-UZLBHIALSA-N 268.315 5.051 5 10 CKBE biogenic,in-man CCC(C)(C)C1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 35014140 XCKJIXJBYNJDFA-UHFFFAOYSA-N 290.407 5.002 5 10 CKBE c1ccc2c(c1)c1cccc3cc4ccc5ccc2c(c54)c31 95850196 MEWBBKSDPHWBAG-UHFFFAOYSA-N 276.338 6.328 5 10 CKBE Cc1ccc2c(C)c3c(ccc4ccccc43)cc2c1 104953069 CYRPSEXQZAFVGE-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE c1ccc2c3c4c(ccc5cccc(c54)[C@@H]4O[C@@H]34)cc2c1 2001173 ISBWKKKMLFVMHH-PMACEKPBSA-N 268.315 5.272 5 10 CKBE in-vitro Clc1nc(-c2ccccc2)nc2cc3ccccc3cc12 165743755 CNZPOYQOLVRTHZ-UHFFFAOYSA-N 290.753 5.103 5 10 CKBE Oc1cccc2cc3ccc4cccc5ccc(c12)c3c45 4655185 ANHMWNGBSJFXSA-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro CC[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 110385744 OEZTXDLUCJXYEG-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE Cc1ccc2c(ccc3ccc(Br)cc32)c1 59060064 JRWQEERNNYXELW-UHFFFAOYSA-N 271.157 5.064 5 10 CKBE O=[N+]([O-])c1ccc(Nc2ccc(C3=CCCCC3)cc2)cc1 90367448 SYMMLMMGAZIGHW-UHFFFAOYSA-N 294.354 5.296 5 10 CKBE CCCNc1cc(C2CC2)nc2c1ccc1ccccc12 110112068 LUXRABFUJPTWNE-UHFFFAOYSA-N 276.383 5.087 5 10 CKBE O=C(Nc1cc2ccccc2c2ccccc12)c1ccccc1 39342064 RBNQVKMQUSUUSY-UHFFFAOYSA-N 297.357 5.245 5 10 CKBE Clc1cc(Cl)c2ccc3cccc4ccc1c2c43 90484321 XYLXEWWJLMKRCG-UHFFFAOYSA-N 271.146 5.891 5 10 CKBE in-vitro CC(C)c1ccc(Oc2cccc(Cl)c2[N+](=O)[O-])cc1 125308132 NIQPJLPJLPIDQP-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE Cc1ccc(O)c(-c2c3ccccc3cc3ccccc23)c1 139732753 PAZFPYKUSBCSBZ-UHFFFAOYSA-N 284.358 5.674 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1cccc([N+](=O)[O-])c1Cl 719297845 MEYWEFZMGGJMTA-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@@H](C)CCCC(C)C)cc1Cl 2206595361 RJNMHRWAYFLSRG-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE N[C@@H](c1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F 72195982 DMRYRLWFVKZHBR-KRWDZBQOSA-N 299.295 5.146 5 10 CKBE CCCC[C@@H](CC)CSCc1ccc([N+](=O)[O-])c(F)c1 2295791419 KVXCGZADTUIXBW-GFCCVEGCSA-N 299.411 5.184 5 10 CKBE CC(C)c1ccc(Sc2cc(F)cc([N+](=O)[O-])c2)cc1 126109502 FLAOSIUBSCEJMV-UHFFFAOYSA-N 291.347 5.009 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 691183459 GHNVPJZOIJUTNS-BXUZGUMPSA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)Nc1cc([N+](=O)[O-])ccc1Cl 1879210725 ZJLCOZRGYNUCGV-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CCCCCSc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997328017 NAKIDQSQZQWJOW-UHFFFAOYSA-N 294.203 5.184 5 10 CKBE CC1CCC(CSc2cc(Cl)ccc2[N+](=O)[O-])CC1 2335252243 FRSNLMMAMXHGGR-UHFFFAOYSA-N 299.823 5.167 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1cccc([N+](=O)[O-])c1Cl 691187513 PUGNLQDFOZJHBQ-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE CCC[C@@H](Nc1cccc([N+](=O)[O-])c1Cl)C1CCCC1 313443302 OJFMLLUCNHBNAQ-GFCCVEGCSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899825 MMEAJFGDQBUTMM-GFCCVEGCSA-N 296.798 5.019 5 10 CKBE CC(C)c1cccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 2234448642 SHNFSLPLOFJRHR-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE c1ccc2c(c1)ccc1c2sc2ccc3ccccc3c21 5518534 SYXXZXWLYNODHL-UHFFFAOYSA-N 284.383 6.361 5 10 CKBE C[C@H](CC1CCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 689760728 GHLFGXDZSOIENF-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC(C)c1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1 2206779748 PVXGCIZACSHLJO-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE c1sc2scc3c4csc5scc(c1c23)c54 169665038 FYVHLCOYRKJSAX-UHFFFAOYSA-N 276.432 5.983 5 10 CKBE CC1(CNc2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 2172656814 UVJIZMIUKFOLDO-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CCCCCSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213742868 LOPMYNJOIBJGRC-UHFFFAOYSA-N 294.203 5.184 5 10 CKBE CCCCCC[C@H](C)c1c[nH]c2c([N+](=O)[O-])cccc12 232982949 ISZVSYJYPDSXRC-LBPRGKRZSA-N 274.364 5.150 5 10 CKBE CCC[C@@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 313410787 FYJCAFLCIDVAPT-CQSZACIVSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1cccc(Cl)c1NC1CCCCCCCC1 2168725485 INORQKPOJSYUHK-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CC(C)(C)c1cc(Cl)c2ccc3ccccc3c2n1 36912921 PDBZBESDUMMAIT-UHFFFAOYSA-N 269.775 5.339 5 10 CKBE O=[N+]([O-])c1cc(Cl)ccc1NC1CCCCCCCC1 2168752260 GMNFWIBCJUBGMP-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CC[C@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 125471703 DILIPMFJSUJMAO-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1cccc(Cl)c1NCCCC1CCCCC1 703220878 SOPUCKBKOYBVBW-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] 718952832 AUJRAMBPCZCCSS-ZDUSSCGKSA-N 296.798 5.019 5 10 CKBE CCCCC(=Cc1ccc(-c2ccccc2)s1)[N+](=O)[O-] 2206186878 MNDFIHMADYMNNX-UHFFFAOYSA-N 287.384 5.223 5 10 CKBE Cc1cc(N[C@@H](C)[C@@H](C)CC(C)C)c([N+](=O)[O-])cc1Cl 2236956018 MQKMHNFWJLWOHB-JQWIXIFHSA-N 298.814 5.039 5 10 CKBE CC[C@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 691183463 GHNVPJZOIJUTNS-FZMZJTMJSA-N 296.798 5.019 5 10 CKBE c1ccc(-c2ccc3cc4ccccc4cc3n2)cc1 197980101 JAAWJQPVEFJQTP-UHFFFAOYSA-N 255.320 5.055 5 10 CKBE CCC[C@@H]1CCC[C@H](Nc2ccc(C)c([N+](=O)[O-])c2)CC1 86942242 PILIVRUBSROIHS-CABCVRRESA-N 290.407 5.064 5 10 CKBE CC(C)(C)[C@H]1CCC[C@H](Nc2ccsc2[N+](=O)[O-])CC1 2159442194 RSJPPSUVGWDQIY-RYUDHWBXSA-N 296.436 5.063 5 10 CKBE Cc1ccc(C)c(Sc2cccc(Cl)c2[N+](=O)[O-])c1 126781195 ADJFVVIJFKCJGM-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CCCCC[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204611577 WPTTVJCRNHXXNH-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SC[C@@H]1CC[C@@H](C)C1 2268694818 DXLYCUACDKYVCO-MWLCHTKSSA-N 299.823 5.085 5 10 CKBE CC(=O)c1ccc2c(ccc3c4ccccc4ccc23)c1 139075291 HFWVQJWTYKKQTE-UHFFFAOYSA-N 270.331 5.349 5 10 CKBE CCC(CC)(CC)COc1cc(Cl)c([N+](=O)[O-])cc1C 2182259039 IRRDQBSUNJVVET-UHFFFAOYSA-N 299.798 5.152 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](C)CCCC(C)C 157681661 HRAIXRONCKPOFF-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE Fc1ccc(F)c2c1ccc1c3ccccc3ccc12 223347188 LZBQIBMVPNOQDQ-UHFFFAOYSA-N 264.274 5.424 5 10 CKBE C[C@H]1CC[C@H](CSc2cccc(Cl)c2[N+](=O)[O-])CC1 2335253601 XEAZDXRSBSOKRT-XYPYZODXSA-N 299.823 5.167 5 10 CKBE CCC1(C)CCC(Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 2171374884 WHNVFQHJVPHMQQ-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)ccc1[nH]c3ccc4cccnc4c3c12 1847633 PZBAOCZCTWWYLN-UHFFFAOYSA-N 268.319 5.023 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 691183470 GHNVPJZOIJUTNS-RISCZKNCSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(S[C@@H]2CCC[C@@H](C)C2)cc1Cl 2141808988 NYKODKLJJITSAQ-MWLCHTKSSA-N 299.823 5.227 5 10 CKBE CC1(CCNc2cccc(Cl)c2[N+](=O)[O-])CCCCC1 2150588390 ZBBPRBOGRYCSBP-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE O=C(Nc1ccccc1)c1c2ccccc2cc2ccccc12 224759127 WBBBRAAJTFCQDA-UHFFFAOYSA-N 297.357 5.245 5 10 CKBE CCCC[C@@H](CC)CNc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206595367 RNCQGSHRYFOIBY-GFCCVEGCSA-N 298.814 5.185 5 10 CKBE CCCCCC[C@@H](C)OCc1ccc(Cl)c([N+](=O)[O-])c1 37404229 QGAVOGUFNGNSSG-GFCCVEGCSA-N 299.798 5.124 5 10 CKBE CC1(C)CCC[C@](C)(Nc2cc(Cl)ccc2[N+](=O)[O-])C1 2192743736 KUSUQRWEVBKKPO-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE Clc1cccc2c(-c3ccccc3)c3cnccc3nc12 196596447 FQRGCXNTNYBFAO-UHFFFAOYSA-N 290.753 5.103 5 10 CKBE O=[N+]([O-])c1cc(NC2CCCCCCCC2)ccc1Cl 2168760094 OZGGWQIBIFHBCJ-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE CCCCCC[C@@H](C)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236955566 HYUAHPPEYFUEOA-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE CCNc1c(C(C)C)c(C)nc2c1ccc1ccccc12 110112061 FSRNESKYYGFLQV-UHFFFAOYSA-N 278.399 5.252 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@H](C)CC(C)C)cc1Cl 2206590920 KOKCFGFAQNXJRO-ZYHUDNBSSA-N 298.814 5.039 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H](C)CCCC(C)C 157681810 HRAIXRONCKPOFF-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE Cc1ccc2cc3c(ccc4ccccc43)c3c2c1[C@H](O)C3 2027266 VDFMUCPEGUQOGZ-LJQANCHMSA-N 284.358 5.044 5 10 CKBE Cc1cccc(Sc2cc(Cl)c([N+](=O)[O-])cc2C)c1 311991279 PXRIPINRKLHUFX-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CCCC[C@@H](CC)CSCc1cc([N+](=O)[O-])ccc1F 2295707297 COPVFENWBNQXOH-GFCCVEGCSA-N 299.411 5.184 5 10 CKBE CCNc1nc2c(ccc3ccccc32)cc1C(C)(C)C 109607955 CUEACQXXIYZTON-UHFFFAOYSA-N 278.399 5.117 5 10 CKBE Clc1ccc(-c2ccc3c(ccc4ccccc43)c2)cc1 1774020818 HMPXTOLVFKONSQ-UHFFFAOYSA-N 288.777 6.313 5 10 CKBE C[C@H](CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1Cl 689760760 GITKHDBSEYDACV-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CC[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 122600107 GGBNJHFOLQTFQC-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE C[C@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1(C)CCCCC1 2157573146 GDENWOKBHNPVSO-NSHDSACASA-N 296.798 5.019 5 10 CKBE Cc1ccc2c(C)c3c(ccc4ccccc43)c3c2c1CC3 90397715 IZPMYOTWMHCZPI-UHFFFAOYSA-N 282.386 5.862 5 10 CKBE O=[N+]([O-])c1cccc(Cl)c1NCCC1CCCCCC1 2145457984 BQFIHNTVPSMNAL-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE O=[N+]([O-])c1ccc(Cl)c(NC2CCCCCCCC2)c1 2168761006 VPOMNKNKLQVGCM-UHFFFAOYSA-N 296.798 5.163 5 10 CKBE C1=C[C@H]2O[C@@H]2c2cc3ccc4cccc5ccc(c21)c3c45 2008433 OLLMQFHYRYHKTD-YLJYHZDGSA-N 268.315 5.051 5 10 CKBE biogenic,in-man CC(C)(C)[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985871 YNTVQDGDWXDUDW-HXUWFJFHSA-N 288.390 5.664 5 10 CKBE c1ccc2c(c1)cc1cc3ccc4ccc5ccc2c1c5c43 90755147 ZQOKWDDQILAIHZ-UHFFFAOYSA-N 276.338 6.328 5 10 CKBE CCC1(C)CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 2171373009 IVKNCUZHLPMMNX-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1SCC1=CCCCC1 2266472958 SVIDQTGESDTPOB-UHFFFAOYSA-N 297.807 5.149 5 10 CKBE C[C@H](O)c1c2ccccc2c2ccc3cccc4ccc1c2c43 5763305 PUSCZGPNNARBNH-ZDUSSCGKSA-N 296.369 5.791 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)CC1 86942384 NQDOZXIJDQLTBQ-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE CC(C)c1ccc2nc(C(C)C)c([N+](=O)[O-])c(Cl)c2c1 2187316533 SKGRWAOOJLELON-UHFFFAOYSA-N 292.766 5.043 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 2159438253 VIIYSCHAEALXFL-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)N(C)c1cc(Cl)ccc1[N+](=O)[O-] 2206794635 WDSAENPUJCWDRN-CYBMUJFWSA-N 298.814 5.043 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1 86956712 PGJKUMGLXNKPEX-KGLIPLIRSA-N 290.407 5.002 5 10 CKBE c1ccc(Oc2c3ccccc3cc3ccccc23)cc1 32267580 STICXSFPZUNCRS-UHFFFAOYSA-N 270.331 5.785 5 10 CKBE O=C(CC(F)(F)F)c1c2ccccc2cc2ccccc12 575356976 PRWRPQJESFHDSS-UHFFFAOYSA-N 288.268 5.128 5 10 CKBE c1ccc2c(c1)cc1c3c2ccc2cccc(c23)[C@H]2O[C@H]12 2008016 XGZQLNASOQVQTD-WOJBJXKFSA-N 268.315 5.272 5 10 CKBE in-man,metabolite CCC[C@@H]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])CC1 86942272 LJZBDOFRBZJCGJ-CABCVRRESA-N 290.407 5.064 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)CC(C)C 2153922058 KVAIIQSRXDAPBH-JQWIXIFHSA-N 298.814 5.039 5 10 CKBE CCCCC[C@H](CC)OCc1cc([N+](=O)[O-])ccc1Cl 2207462785 YIWUQHWTOITVIC-AWEZNQCLSA-N 299.798 5.124 5 10 CKBE Cc1cc([N+](=O)[O-])c(OCCCCCC(C)C)cc1Cl 2284892576 SJVJCQDFEPFESN-UHFFFAOYSA-N 299.798 5.152 5 10 CKBE O=[N+]([O-])c1ccc2ccc3c4ccccc4cc4ccc1c2c43 5935129 CQIJHYPCKYZMIV-UHFFFAOYSA-N 297.313 5.645 5 10 CKBE Cc1cccc2cc3c4ccccc4c4ccccc4c3cc12 95842088 OSLUKLQLIFPUAE-UHFFFAOYSA-N 292.381 6.608 5 10 CKBE Cc1cc([N+](=O)[O-])c(S[C@H]2CCC[C@@H](C)C2)cc1Cl 2141808987 NYKODKLJJITSAQ-KOLCDFICSA-N 299.823 5.227 5 10 CKBE O=C(c1ccc2ccc3cccc4ccc1c2c34)C1CCC1 2059985043 STFQJTPBSOOJAP-UHFFFAOYSA-N 284.358 5.567 5 10 CKBE Cc1ccc(Sc2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 2226068508 LWOCYMGDSVBLMR-UHFFFAOYSA-N 293.775 5.016 5 10 CKBE CC(C)c1ccccc1Oc1ccc([N+](=O)[O-])c(Cl)c1 2234449722 YBXGLRQPADNDLH-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])CC1 86956709 CFWZKAFSBQSOCS-UONOGXRCSA-N 290.407 5.002 5 10 CKBE COCc1c2ccccc2c(C)c2c1ccc1ccccc12 5765055 ZPGGXMUXSHFETD-UHFFFAOYSA-N 286.374 5.601 5 10 CKBE c1cc2cc3ccc4ccc5cc6ccc1c2c6c3c45 196486839 JSSGPUGMRRTJFY-UHFFFAOYSA-N 250.300 5.766 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312391429 SVVPEJSANOIHAZ-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CC[C@H](Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 1927711105 BUNHLLQWNCXMMU-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])C1=Cc2c3ccc4ccccc4c3cc3cccc1c23 6118497 GXXSOQPZXAEZHH-UHFFFAOYSA-N 297.313 5.234 5 10 CKBE CC(=O)Oc1c2ccsc2cc2ccc3ccccc3c12 39271333 JFNNBBSTWNVCEF-UHFFFAOYSA-N 292.359 5.133 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1cccc([N+](=O)[O-])c1Cl 691187505 PUGNLQDFOZJHBQ-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE C1=Cc2c3ccccc3cc3cc4ccccc4c1c23 95817375 QTCRJMWMGZQPMN-UHFFFAOYSA-N 252.316 5.630 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1cccc([N+](=O)[O-])c1Cl 691187508 PUGNLQDFOZJHBQ-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CCCC1(Nc2cc(Cl)c(C)cc2[N+](=O)[O-])CCCC1 2206598028 IHSQCGGCYJKPGT-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CCCNc1nc2c(ccc3ccccc32)cc1C(C)C 110313377 UMUCNZKPBUREKC-UHFFFAOYSA-N 278.399 5.333 5 10 CKBE C[C@@H]1CCC[C@H](SCc2ccc(Cl)c([N+](=O)[O-])c2)C1 110346377 XKXRAEXFXYTUCC-PWSUYJOCSA-N 299.823 5.060 5 10 CKBE CC(C)[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985093 XBMUFKVGVDIUET-FQEVSTJZSA-N 274.363 5.273 5 10 CKBE C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(C)CCCCC1 2157609482 ZJXBBXLZAROKLR-NSHDSACASA-N 296.798 5.019 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 689769440 XAIQBKWIPDDKPM-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 313445490 QFPRMHHEXGYXHL-CYBMUJFWSA-N 296.798 5.019 5 10 CKBE CCCCCCSc1cc(NCC)c(C)cc1[N+](=O)[O-] 2295709895 XPUVITAZZRDVIB-UHFFFAOYSA-N 296.436 5.007 5 10 CKBE CC[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 709205398 UULXVJLNZUUCNW-SMDDNHRTSA-N 296.798 5.019 5 10 CKBE CCCCCCSc1cc(NCCC)cc([N+](=O)[O-])c1 2295767358 WYANDIOKHMAQMV-UHFFFAOYSA-N 296.436 5.089 5 10 CKBE CC(C)NCc1ccc2ccc3cccc4ccc1c2c34 206019546 UUQPEKNRPRCPJP-UHFFFAOYSA-N 273.379 5.082 5 10 CKBE C1=Cc2c(ccc3cc4ccc5ccccc5c4nc23)CC1 39256397 QVJJDFWYBCYIMF-UHFFFAOYSA-N 281.358 5.501 5 10 CKBE c1ccc2c(c1)ccc1cc3sc4ccccc4c3nc12 2003973 GLEGLXQUFHLTRQ-UHFFFAOYSA-N 285.371 5.756 5 10 CKBE CCCC1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 37883067 CDUSFCBDINDSRD-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC[C@H](C)CSc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997328187 OTGQBSGRDCLOQR-ZETCQYMHSA-N 294.203 5.040 5 10 CKBE CNc1cc(C2CCCC2)nc2c1ccc1ccccc12 134198457 CEAGZYIKDBLBJA-UHFFFAOYSA-N 276.383 5.087 5 10 CKBE C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1(C)CCCCC1 2157608346 WRHIGVPNNGRUQO-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Cc1cc2ccccc2c2cc(F)c3ccccc3c12 95818201 PKWOZBMMJBJRKD-UHFFFAOYSA-N 260.311 5.594 5 10 CKBE CCCCC[C@H](CC)OCc1ccc(Cl)c([N+](=O)[O-])c1 2207462292 UYDXEERATLGCKC-ZDUSSCGKSA-N 299.798 5.124 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1Cl 689760763 GITKHDBSEYDACV-NSHDSACASA-N 296.798 5.019 5 10 CKBE CCc1cccc2c(CC)c3c(ccc4ccccc43)cc12 90415357 XDDDKXVKDBLVOT-UHFFFAOYSA-N 284.402 6.271 5 10 CKBE Sc1ccc(-c2c3ccccc3cc3ccccc23)cc1 90744897 SMEFITROQDJGGO-UHFFFAOYSA-N 286.399 5.949 5 10 CKBE CC[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 2158495356 KUSDAHCPHIFFPP-CQSZACIVSA-N 296.798 5.019 5 10 CKBE Cc1ccc2nc3ccc4ccccc4c3c(C)c2c1 5160917 WMDJGDIOACZPGT-UHFFFAOYSA-N 257.336 5.158 5 10 CKBE c1ccc(-c2ccc3c(c2)[nH]c2ccc4ccccc4c23)cc1 149430341 QNVLVBVXIIBMMS-UHFFFAOYSA-N 293.369 6.141 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl 719298410 NQSFDNVUTATWSX-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CC(C)CCSc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997327248 DIRQNZIOYYUSHJ-UHFFFAOYSA-N 294.203 5.040 5 10 CKBE CCCCC[C@@H](CC)N(C)c1ccc([N+](=O)[O-])c(Cl)c1 2234456792 IINSUNNFCKPLNL-GFCCVEGCSA-N 298.814 5.043 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901395 ZWKVPDWTDSSGDJ-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE Oc1ccc2ccc3cc4c(ccc5ccccc54)cc3c2c1 6118493 HSRPWTYLHBXRIB-UHFFFAOYSA-N 294.353 6.005 5 10 CKBE CC1(CCNc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 2150587237 JSIGDINBOKBOSE-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CCCCC[C@@H](CC)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236884869 QGQLEVBEXFKETL-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE C1=C[C@@H]2O[C@@H]2c2cc3ccc4cccc5ccc(c21)c3c45 2008436 OLLMQFHYRYHKTD-FXAWDEMLSA-N 268.315 5.051 5 10 CKBE biogenic,in-man Cc1ccc2cc3cc(C)c4c(C)cccc4c3cc2c1 90397166 BABWOXAQJTZWJJ-UHFFFAOYSA-N 270.375 6.071 5 10 CKBE Cc1cc(C)c2ccc3c(C)cc(C)c4ccc1c2c43 72424477 HRHHFPGFYOBEPE-UHFFFAOYSA-N 258.364 5.818 5 10 CKBE CC(C)CCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] 232542017 FVZBHCNHUPVRBV-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE CC1(C)CCCC[C@]1(C)Nc1ccc(Cl)cc1[N+](=O)[O-] 2159844327 CGQSMYPNSJVVSF-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE O=[N+]([O-])c1cc(CSCC2CCCCC2)ccc1Cl 2089253434 HCYLRDGPLGCJIW-UHFFFAOYSA-N 299.823 5.062 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901452 LWLDOXWRKKQAKP-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])C1CCCCCC1 2173472648 PUBLYESUXHYYEG-NSHDSACASA-N 296.798 5.019 5 10 CKBE c1cc2ccc3ccc(CN4CCCCC4)c4ccc(c1)c2c34 32599949 HCMLHGKXHLXTAC-UHFFFAOYSA-N 299.417 5.570 5 10 CKBE CC[C@@H](CCC(C)C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2185907247 KQZVKHMXGVFBJE-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE CC(C)CC(=Cc1ccc(-c2ccccc2)s1)[N+](=O)[O-] 2206185725 BWSAEMYIUSDQGE-UHFFFAOYSA-N 287.384 5.079 5 10 CKBE CC(C)(C)OC(=O)Oc1c2ccccc2cc2ccccc12 1088680992 DWOVWEQFPNCXPX-UHFFFAOYSA-N 294.350 5.307 5 10 CKBE CC(C)(C)[C@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])CC1 86956706 CFWZKAFSBQSOCS-KBPBESRZSA-N 290.407 5.002 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901450 LWLDOXWRKKQAKP-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE Cc1c(Cl)cccc1Oc1cccc(Cl)c1[N+](=O)[O-] 702632704 KTKJBORBYKFBLA-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])CC1 86942274 LJZBDOFRBZJCGJ-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE Cc1cc(Oc2cccc(Cl)c2[N+](=O)[O-])ccc1Cl 125303930 CCMIUAZDZZNNHP-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Clc1c2c(nc3c1ccc1ccccc13)CCCCC2 109692767 DZHBRSVHTNAPTP-UHFFFAOYSA-N 281.786 5.310 5 10 CKBE CCCCC[N+](CC)(CCCCC)CCCCC 34206842 SSSPGHOXGVKBLH-UHFFFAOYSA-N 256.498 5.394 5 10 CKBE CCC[C@@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 313418231 OSOVFCRPSWROBR-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CCCCC[C@@H](CC)Nc1c([N+](=O)[O-])ccc(Cl)c1C 2193576146 JNBIEVALBRSVRN-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE CCCCCC[C@H](C)Nc1cc([N+](=O)[O-])ccc1Cl 37060082 TYGNRRKHAQTOGD-NSHDSACASA-N 284.787 5.019 5 10 CKBE CC[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 691187254 OKKXMTNOLKSHIH-DGCLKSJQSA-N 296.798 5.019 5 10 CKBE c1ccc2c(c1)-c1c(c3ccccc3c3ccccc13)[C@H]1N[C@@H]21 6117952 PVJBULRDYUGSDW-FCHUYYIVSA-N 293.369 5.359 5 10 CKBE CCCCCC1CC(Nc2c(Cl)cccc2[N+](=O)[O-])C1 2180052882 PCUFAMZQBRZWGU-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCCCC(C)(C)CNc1c(Cl)cccc1[N+](=O)[O-] 94990460 XFXIQNPHCMHPFA-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE Cc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12 143875207 LWYTXOPVTYKIPP-UHFFFAOYSA-N 270.335 5.264 5 10 CKBE CCCCCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204629829 OWDINKBGAMGBRW-GFCCVEGCSA-N 298.814 5.327 5 10 CKBE O=[N+]([O-])c1c(F)cccc1Sc1ccc2ccccc2c1 109670498 UGIRADSWDLQKGM-UHFFFAOYSA-N 299.326 5.038 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1Oc1cccc2ccccc12 125314252 MHURNEXEJBWLRH-UHFFFAOYSA-N 299.713 5.194 5 10 CKBE CC(C)(C)c1ccc2c(c1)oc1cccc3c(O)ncc2c13 1614950690 SPWWZAIIOMYDPI-UHFFFAOYSA-N 291.350 5.137 5 10 CKBE Cc1cc2cc3ccccc3c3ccc4cccc1c4c23 95842446 VYWXLKZSEDZSCA-UHFFFAOYSA-N 266.343 6.046 5 10 CKBE Cc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])c(Cl)c1 2226061614 IQRQUHLCNSIKJK-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC(C)c1ccccc1Nc1cccc(Cl)c1[N+](=O)[O-] 126597084 UNSACQYHSHPZBN-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1N[C@H](C)[C@H](C)CC(C)C 2153922060 KVAIIQSRXDAPBH-ZYHUDNBSSA-N 298.814 5.039 5 10 CKBE Cc1cc(N[C@H](C)CCC(C)(C)C)c([N+](=O)[O-])cc1Cl 2236954077 PWICLKONSSBETP-LLVKDONJSA-N 298.814 5.183 5 10 CKBE CC[C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)CC1 86901397 ZWKVPDWTDSSGDJ-RYUDHWBXSA-N 296.798 5.019 5 10 CKBE Cc1ccc(C=Cc2c3ccccc3cc3ccccc23)cc1 2053607083 MOZNELUVCNFAPE-UHFFFAOYSA-N 294.397 6.472 5 10 CKBE CC[C@H](Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 2158494566 IALNXNPYJFPKGX-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE Cc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)c1 2226062463 QSRPSEYQLCQPAS-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE Cc1c2ccccc2nc2nc3c(Cl)c(F)ccc3cc12 47068 WLYJRIBJAINLJZ-UHFFFAOYSA-N 296.732 5.037 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1Oc1ccccc1Cl 311917458 DADWYQQFHUQRBA-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE C[C@H]1CCC[C@H](SCc2ccc(Cl)c([N+](=O)[O-])c2)C1 110346381 XKXRAEXFXYTUCC-JQWIXIFHSA-N 299.823 5.060 5 10 CKBE CCC1(C)CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 2171537313 JWIGNIBETHYIHZ-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCC[C@H](CCC)Nc1ccc(Cl)cc1[N+](=O)[O-] 226088099 SLZZSUFCUOLUNP-LBPRGKRZSA-N 284.787 5.019 5 10 CKBE O=[N+]([O-])c1cc(Cl)ccc1NCCCCCCC1CC1 2234191352 KNAQJBPZECXVKT-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE c1ccc2c(c1)Cc1cc3cc4ccccc4cc3cc1-2 96328814 WQIFERDZMYSWOI-UHFFFAOYSA-N 266.343 5.564 5 10 CKBE CCC(=Cc1ccc(-c2ccc(Cl)cc2)s1)[N+](=O)[O-] 1899081135 CWUASXTZOSWKHH-UHFFFAOYSA-N 293.775 5.096 5 10 CKBE CCCCC[C@@H](CC)OCc1cccc(Cl)c1[N+](=O)[O-] 2236883016 DKMKNPKYGIWTOA-CYBMUJFWSA-N 299.798 5.124 5 10 CKBE CCCC[C@H](CC)CSCc1cc(F)ccc1[N+](=O)[O-] 2295790838 FSOQIARVEVWGFC-LBPRGKRZSA-N 299.411 5.184 5 10 CKBE CC(C)[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 2059985094 XBMUFKVGVDIUET-HXUWFJFHSA-N 274.363 5.273 5 10 CKBE CC(C)(C)CSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2213737954 DZSQEOQCRWRGCD-UHFFFAOYSA-N 294.203 5.040 5 10 CKBE c1ccc2c(c1)ccc1nc3ccc4c(c3cc12)CCCC4 6118447 NCGUMYHLLGAGCN-UHFFFAOYSA-N 283.374 5.420 5 10 CKBE CCSc1ccc(-c2cc3cc([N+](=O)[O-])ccc3o2)cc1 197115908 ILYFESONHJZYND-UHFFFAOYSA-N 299.351 5.120 5 10 CKBE CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899843 ZGYJLOGLQFXROG-LLVKDONJSA-N 296.798 5.019 5 10 CKBE O=C1c2ccccc2-c2c3ccccc3cc3cccc1c23 5935145 SNQWZFDFVZBDFF-UHFFFAOYSA-N 280.326 5.204 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])CC1 86956704 CFWZKAFSBQSOCS-KGLIPLIRSA-N 290.407 5.002 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1Nc1cccc2ccccc12 126600371 WNOHRVYMBFBAFQ-UHFFFAOYSA-N 298.729 5.145 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312391428 SVVPEJSANOIHAZ-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE CCCC[C@@H](CC)CSCc1ccc([N+](=O)[O-])cc1F 2295707700 HAIPCDPAYRIHJQ-GFCCVEGCSA-N 299.411 5.184 5 10 CKBE C[C@H]1CC[C@H](CSc2ccc([N+](=O)[O-])c(Cl)c2)CC1 2335253363 UNFFKAYUDHAZCZ-XYPYZODXSA-N 299.823 5.167 5 10 CKBE Cc1ccc2c(C)cc3c4ccccc4ccc3c2c1 111362276 GHLVRGHNAAFWQR-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE Cc1cc(N[C@H](C)[C@H](C)CC(C)C)c(Cl)cc1[N+](=O)[O-] 2204625874 SZYHUEJAXRXBDQ-ZYHUDNBSSA-N 298.814 5.039 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H](C)[C@H](C)CC(C)C 2153918227 CJBVXIRPXWAXGO-ZYHUDNBSSA-N 298.814 5.039 5 10 CKBE CC(C)CCCCCCNc1ccc([N+](=O)[O-])c(Cl)c1 1927637387 LEQHUNLIWOFQFX-UHFFFAOYSA-N 298.814 5.267 5 10 CKBE Cc1cc(N[C@@H](C)[C@@H](C)CC(C)C)c(Cl)cc1[N+](=O)[O-] 2204625872 SZYHUEJAXRXBDQ-JQWIXIFHSA-N 298.814 5.039 5 10 CKBE Cc1cc(C)c2ccc3c4ccccc4c(C)c4ccc1c2c43 95842431 BZBLXOWOIQZQPM-UHFFFAOYSA-N 294.397 6.662 5 10 CKBE Oc1ccc2c3ccc(O)c4cccc(c5cccc1c52)c43 140129153 MZCAQGBKBXLCJK-UHFFFAOYSA-N 284.314 5.148 5 10 CKBE CCCCCC[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] 36970624 QKHVVHBIDPRSNE-NSHDSACASA-N 284.787 5.019 5 10 CKBE C[C@@H]1CCc2c(nc3c(ccc4ccccc43)c2Cl)C1 1916082423 RDUBZOIEFFFRBN-LLVKDONJSA-N 281.786 5.166 5 10 CKBE Cc1cc(C)c2ccc3c4ccccc4cc4ccc1c2c43 95842457 YLBZZUDADDVEFK-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE CCC[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 313419882 QMJGESFNSFWFMC-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Cl 691184983 KEEJMFYGNWOLBZ-RISCZKNCSA-N 296.798 5.019 5 10 CKBE Cc1ccc(Cl)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 2226061184 BRORISYADGGAPE-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE C1=C[C@@H]2O[C@@H]2c2c1cc1ccc3cccc4ccc2c1c34 2008429 GOEJUYABKOTLJA-JXFKEZNVSA-N 268.315 5.051 5 10 CKBE biogenic,in-man CC[C@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899848 MYBGTPYPENMWNB-AAEUAGOBSA-N 296.798 5.019 5 10 CKBE Cc1cccc2c(Oc3ccccc3)c3ccccc3nc12 206603056 BAMCXJWBZBMDDM-UHFFFAOYSA-N 285.346 5.489 5 10 CKBE CCCC1CCC(Nc2cccc(Cl)c2[N+](=O)[O-])CC1 125449641 NTGHZMFYGWEVJY-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CCCCCC1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1 2179958370 SQHWRCOVTHDLAR-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@@](C)(Nc2cc(Cl)ccc2[N+](=O)[O-])C1 2192743737 KUSUQRWEVBKKPO-OAHLLOKOSA-N 296.798 5.019 5 10 CKBE CC(C)(C)c1cc(CC2CCCCC2)ccc1[N+](=O)[O-] 725417488 BFXFCMSJHMHOOT-UHFFFAOYSA-N 275.392 5.015 5 10 CKBE Oc1ccc2c(ccc3nc4ccc5ccccc5c4cc32)c1 6118457 DCQHCXDEOXTAON-UHFFFAOYSA-N 295.341 5.400 5 10 CKBE CCCCCC(CCCCC)Nc1ccccc1[N+](=O)[O-] 109865599 OVPWBFYEUHRMBV-UHFFFAOYSA-N 292.423 5.536 5 10 CKBE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 709205397 UULXVJLNZUUCNW-RISCZKNCSA-N 296.798 5.019 5 10 CKBE CCC(CC)(CC)COc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206778910 FABMEUDWQPTVRC-UHFFFAOYSA-N 299.798 5.152 5 10 CKBE c1ccc2cc3ccc4ccc5ccc(cc2c1)c3c54 200048451 UIUNTMMPKCXIMT-UHFFFAOYSA-N 252.316 5.737 5 10 CKBE CCC(CC)(CC)CNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236952901 AZZKMHYXHHNAHW-UHFFFAOYSA-N 298.814 5.185 5 10 CKBE CCc1c2ccccc2c(C)c2ccc3ccccc3c12 95852057 FTMBVQWARWOALX-UHFFFAOYSA-N 270.375 6.017 5 10 CKBE CCCC1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 37883065 NJCIQWIJQNFREZ-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE S=c1c2ccccc2n(-c2ccccc2)c2ccccc12 196566525 MYCFWWWVHOICQS-UHFFFAOYSA-N 287.387 5.513 5 10 CKBE Oc1cc2c3ccccc3cc3ccc4cccc1c4c32 4655183 XWSLTTWKRKWHAT-UHFFFAOYSA-N 268.315 5.443 5 10 CKBE biogenic,in-vitro CC1(CCNc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 2150586694 AUTKAHGPOAPRIP-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE CC(C)(C)[C@@H](N)c1c2ccccc2cc2ccccc12 725411834 WMCUSLWRKTWLCN-SFHVURJKSA-N 263.384 5.039 5 10 CKBE Cc1cc(C=Cc2ccccc2)nc2c1ccc1ccccc12 2297731008 LIHAPAWPVRRMMC-UHFFFAOYSA-N 295.385 5.867 5 10 CKBE CC(C)CC(=Cc1cc(-c2cccs2)cs1)[N+](=O)[O-] 1899081147 OMGKQNYBEKXTIQ-UHFFFAOYSA-N 293.413 5.140 5 10 CKBE Cc1cc(N[C@H](C)CCCC(C)C)c(Cl)cc1[N+](=O)[O-] 2204630762 ZGVVAZINEZFFPC-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE Cc1cc(N[C@@H](C)CCCC(C)C)c([N+](=O)[O-])cc1Cl 2236955328 FSTAWMMYTLTYAB-LBPRGKRZSA-N 298.814 5.183 5 10 CKBE c1ccc2c(c1)-c1c(c3ccccc3c3ccccc13)[C@@H]1N[C@@H]21 101237287 PVJBULRDYUGSDW-VXKWHMMOSA-N 293.369 5.359 5 10 CKBE COc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3 137797454 UJCBZCJMNSPMTM-UHFFFAOYSA-N 284.358 5.253 5 10 CKBE CC(C)Cc1ccnc2c1ccc1c(CC(C)C)ccnc12 5284677 OQSFSLKUKVPVPJ-UHFFFAOYSA-N 292.426 5.180 5 10 CKBE Cc1cccc2cc(C)c3c4ccccc4ccc3c12 198877189 DSGIAQZVDMMNGE-UHFFFAOYSA-N 256.348 5.763 5 10 CKBE Cc1cc([N+](=O)[O-])c(Oc2ccccc2Cl)cc1Cl 2141829853 OVSIYACSRKPMRW-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CCOC(OCC)c1c2ccccc2cc2ccccc12 43502693 ZGCXHPCWMSJAKE-UHFFFAOYSA-N 280.367 5.065 5 10 CKBE CC1(C)CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 704391640 RAXUWNVOVUHTNE-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCC[C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2C)CC1 86942260 HXYPQQIFRAXJNT-HUUCEWRRSA-N 290.407 5.064 5 10 CKBE O=C(CN1CCC[C@@H](N2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 94087653 XYUWRTPSOYVLJS-OAHLLOKOSA-N 380.876 3.137 5 10 CKBE C[C@@H](Nc1cccc(Cl)c1[N+](=O)[O-])C1(C)CCCCC1 2157573145 GDENWOKBHNPVSO-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCCC(CCC)CNc1cc(Cl)c([N+](=O)[O-])cc1C 2172258984 IKQDFMVZCLBEON-UHFFFAOYSA-N 298.814 5.185 5 10 CKBE CC(C)CC(CC(C)C)Oc1cc(Cl)ccc1[N+](=O)[O-] 2360305976 IILHZQMRERPWFT-UHFFFAOYSA-N 299.798 5.088 5 10 CKBE Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C[C@H]3O 2027144 CHNZFZQGTXDBFI-LJQANCHMSA-N 284.358 5.044 5 10 CKBE C[C@@H](CC1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 689759429 BNXPQPWBYPEQHI-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC[C@@H](C)CSc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997328186 OTGQBSGRDCLOQR-SSDOTTSWSA-N 294.203 5.040 5 10 CKBE CC[C@H](CCC(C)C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2185907246 KQZVKHMXGVFBJE-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 719300802 UFSZCTUEGWZHSA-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1NC1(C)CCCCCC1 2150852340 YWCMMOXCUXTEKG-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE c1cc2cccc3c4ccnc5cccc(c(c1)c23)c54 34729553 VGGQEKHBLVKNIO-UHFFFAOYSA-N 253.304 5.132 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312391433 SVVPEJSANOIHAZ-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccsc2[N+](=O)[O-])CC1 2159442192 RSJPPSUVGWDQIY-NEPJUHHUSA-N 296.436 5.063 5 10 CKBE COc1cc2cccc3ccc4c5ccccc5cc1c4c32 6017951 OXJRZQSGIXGFRZ-UHFFFAOYSA-N 282.342 5.746 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2cccc(Cl)c2[N+](=O)[O-])CC1 2159438250 VIIYSCHAEALXFL-NEPJUHHUSA-N 296.798 5.019 5 10 CKBE CC[C@H](CCC(C)C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204630366 VSPPMYDBNKBUGC-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE CCC[C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2C)CC1 86942257 HXYPQQIFRAXJNT-GJZGRUSLSA-N 290.407 5.064 5 10 CKBE CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899833 KNLFMKGVZVADQO-VXGBXAGGSA-N 296.798 5.019 5 10 CKBE Cc1cccc2c1ccc1c3ccc(C(C)C)cc3ccc21 2070287452 COYHCUMIYFOFMF-UHFFFAOYSA-N 284.402 6.578 5 10 CKBE COc1ccc2c(ccc3c4ccccc4cc(C)c23)c1 142085680 SNRMRZRIZLBRNS-UHFFFAOYSA-N 272.347 5.463 5 10 CKBE CCCCC[C@H](CC)Nc1ccc([N+](=O)[O-])c(Cl)c1 1879209715 PTYORDHVUCJVDC-NSHDSACASA-N 284.787 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(SC[C@H]2CC[C@H](C)C2)cc1Cl 2268691872 WSTQKPHKBUYZTL-ONGXEEELSA-N 299.823 5.085 5 10 CKBE C[C@H]1CCCc2nc3c(ccc4ccccc43)c(Cl)c21 2204315553 POHHIFIFIPHZFT-NSHDSACASA-N 281.786 5.481 5 10 CKBE CC(C)(C)C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C 2281558249 IZIZCLBDLFSSAG-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE Cc1cc([N+](=O)[O-])c(N[C@H](C)CCC(C)(C)C)cc1Cl 2206599643 VQURZKDMPGMKQI-LLVKDONJSA-N 298.814 5.183 5 10 CKBE CCCCC[C@@H](CC)N(C)c1cccc(Cl)c1[N+](=O)[O-] 2193692331 YMPRQRVTSRVWFG-GFCCVEGCSA-N 298.814 5.043 5 10 CKBE Cc1c2ccccc2c(C)c2c3c(ccc12)[C@@H]1O[C@H]1C=C3 100830999 UZKWBBZEYBCHIN-ICSRJNTNSA-N 272.347 5.077 5 10 CKBE in-man Cc1cc(NC2CCCCCCC2)c(Cl)cc1[N+](=O)[O-] 2204624306 PPLXXVSYWOZDTB-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCCC1 2173472786 BNMMFZXTUVRMBN-LLVKDONJSA-N 296.798 5.019 5 10 CKBE CCc1c(Cl)nc2c(ccc3ccccc32)c1Cl 693760608 FHGBPQQMVZACGB-UHFFFAOYSA-N 276.166 5.257 5 10 CKBE Cc1c(C)c2cc3ccccc3c3ccc4cccc1c4c23 95842451 KWYWGXYFWOWWTF-UHFFFAOYSA-N 280.370 6.354 5 10 CKBE CCCCC[C@H](CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 2193624073 UBROUPVAJLPOHU-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CCCCCC[C@H](C)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236955567 HYUAHPPEYFUEOA-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CC[C@]1(C)CCc2c1ccc1c2ccc2ccccc21 2558859 LMBRVEKVXRTMGS-HXUWFJFHSA-N 260.380 5.607 5 10 CKBE Cc1cc(N[C@H](C)CCC(C)(C)C)c(Cl)cc1[N+](=O)[O-] 2204606794 UIJFPXBVVUGWIY-LLVKDONJSA-N 298.814 5.183 5 10 CKBE CCCCC[C@H](CC)Nc1ccc([N+](=O)[O-])cc1Cl 1879208190 AWRFFVFWGFVAGK-NSHDSACASA-N 284.787 5.019 5 10 CKBE CCCCCCSCc1cc([N+](=O)[O-])ccc1Cl 2263814542 LUCOUTFJJSRLPS-UHFFFAOYSA-N 287.812 5.062 5 10 CKBE CC1(C)CCc2c1nc1c(ccc3ccccc31)c2Cl 2290329092 DUTVSPXMJIGJQO-UHFFFAOYSA-N 281.786 5.265 5 10 CKBE Cc1c2ccc3ccccc3c2cc2c1ccc1ccccc12 104943106 CZZMOSYLYFLFAI-UHFFFAOYSA-N 292.381 6.608 5 10 CKBE CC1(CCNc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 2150586736 BJYHMBOBPFSZCH-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE Cc1ccc2ccc3cc4cc(C(C)C)ccc4cc3c2c1 77301481 FRJARKBQSCFUKS-UHFFFAOYSA-N 284.402 6.578 5 10 CKBE in-vitro CCCCCC[C@H](C)Oc1cc(Cl)c([N+](=O)[O-])cc1C 312378722 BLPNIURWYHTLLX-LBPRGKRZSA-N 299.798 5.294 5 10 CKBE CCCCCC1CC(Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 2179958232 QLCJBBHSHQSCRM-UHFFFAOYSA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 86901453 NNZAFJWPKXXIOG-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC(C)c1ccccc1Nc1cc(Cl)ccc1[N+](=O)[O-] 2206797667 JCROQUJSOQAUGB-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE CC[C@H](C)c1ccccc1Oc1cc(F)cc([N+](=O)[O-])c1 126031467 BTSRTNJJSKXHSE-NSHDSACASA-N 289.306 5.040 5 10 CKBE Cc1cc([N+](=O)[O-])c(NCC(C)(C)C(C)(C)C)cc1Cl 2206596351 ZDJXZBKOVHCIJY-UHFFFAOYSA-N 298.814 5.041 5 10 CKBE Cc1cc2ccc3cc4ccccc4c4ccc(c1)c2c34 95842448 BBVAZDUFJMPLJK-UHFFFAOYSA-N 266.343 6.046 5 10 CKBE Brc1c2ccccc2c(C2CC2)c2ccccc12 196129573 JYMAGMBIJQKAFE-UHFFFAOYSA-N 297.195 5.633 5 10 CKBE CCCC[C@@H](CC)CSCc1cccc([N+](=O)[O-])c1F 2295710257 ZDRBRUMJXIVBQP-GFCCVEGCSA-N 299.411 5.184 5 10 CKBE C(=C\c1cc2ccccc2c2ccccc12)\c1ccccc1 97994602 FYHMUDIBZQVMGU-PFONDFGASA-N 280.370 6.163 5 10 CKBE Cc1cc(N[C@@H](C)CCC(C)(C)C)c(Cl)cc1[N+](=O)[O-] 2204606796 UIJFPXBVVUGWIY-NSHDSACASA-N 298.814 5.183 5 10 CKBE CCCCCC[C@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 312518872 FROXUVCKZQWWDM-NSHDSACASA-N 298.814 5.327 5 10 CKBE c1ccc2c(c1)sc1c2ccc2c1ccc1ccsc12 39411281 JQOGVCHQBOMIIE-UHFFFAOYSA-N 290.412 6.422 5 10 CKBE CCSc1ccc2nc3ccccc3c(SCC)c2c1 196150693 HWBMSIRMRAYHJA-UHFFFAOYSA-N 299.464 5.612 5 10 CKBE CC[C@H](CCC(C)C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 2186036304 GZKFWYTZJHLQRW-GFCCVEGCSA-N 298.814 5.183 5 10 CKBE CCCCCC[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 36971537 UYYOSYDGSUUELB-NSHDSACASA-N 284.787 5.019 5 10 CKBE CCCCCCSCc1ccc(Cl)c([N+](=O)[O-])c1 2263726894 BTOQOXBFURDIPM-UHFFFAOYSA-N 287.812 5.062 5 10 CKBE C(=Cc1cc2ccccc2c2ccccc12)c1ccccc1 2053607003 FYHMUDIBZQVMGU-UHFFFAOYSA-N 280.370 6.163 5 10 CKBE Sc1c2ccccc2cc2c1ccc1ccccc12 5935218 BYDZSGUMFLJKLZ-UHFFFAOYSA-N 260.361 5.435 5 10 CKBE Cc1cc(NC(CC(C)C)CC(C)C)c([N+](=O)[O-])cc1C 109945746 KGLPHQMFRSDCGY-UHFFFAOYSA-N 292.423 5.084 5 10 CKBE CCCC[C@H](CC)CNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236956886 WGSRNGABWNXGRO-LBPRGKRZSA-N 298.814 5.185 5 10 CKBE CN(C)c1ccc(-c2cc3ccccc3c3ccccc23)cc1 169577542 LIINMAHNIYWECN-UHFFFAOYSA-N 297.401 5.726 5 10 CKBE O=[N+]([O-])c1c(Cl)cccc1NCCC1CCCCCC1 2145473320 RJYQTYCVIUXHQY-UHFFFAOYSA-N 296.798 5.021 5 10 CKBE C1=Cc2c3cc4ccccc4cc3cc3cccc1c23 95817376 PYSSVKADNGCTPT-UHFFFAOYSA-N 252.316 5.630 5 10 CKBE CC[C@H](C)C[C@@H](CC)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229132245 JCODEXJHNRILOK-CMPLNLGQSA-N 298.814 5.183 5 10 CKBE CCCCC[C@H](CC)OCc1cccc(Cl)c1[N+](=O)[O-] 2236883017 DKMKNPKYGIWTOA-ZDUSSCGKSA-N 299.798 5.124 5 10 CKBE CCCC[C@@H](CCC)Nc1cc(Cl)ccc1[N+](=O)[O-] 226087363 JIQANVLPMUZQNN-GFCCVEGCSA-N 284.787 5.019 5 10 CKBE CC(C)[C@@H](C)Sc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997328770 VNUMPPVBYWNWHX-SSDOTTSWSA-N 294.203 5.038 5 10 CKBE CC1(C)CCC[C@@H](Nc2cccc([N+](=O)[O-])c2Cl)CC1 312414681 XPBVWCFNVIUBOF-LLVKDONJSA-N 296.798 5.019 5 10 CKBE Cc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl 2226061465 GYQPOBAYMZEDTB-UHFFFAOYSA-N 298.125 5.002 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 86899855 MYBGTPYPENMWNB-WCQYABFASA-N 296.798 5.019 5 10 CKBE CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC1 86899840 ZGYJLOGLQFXROG-NSHDSACASA-N 296.798 5.019 5 10 CKBE CC1(C)CCCC[C@]1(C)Nc1ccc([N+](=O)[O-])c(Cl)c1 2159827641 DFCHMJXTJOJLLE-HNNXBMFYSA-N 296.798 5.019 5 10 CKBE CCCCCCSc1c([N+](=O)[O-])ccc(F)c1Cl 2263825422 PLOMWTHWBLPQJJ-UHFFFAOYSA-N 291.775 5.060 5 10 CKBE Cc1nc2c(ccc3ccccc32)c(Cl)c1C(C)C 103934981 FECVUAJWURMMQC-UHFFFAOYSA-N 269.775 5.473 5 10 CKBE CC1(C)CCCCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 719295651 COBBHIGMHUYAOI-AWEZNQCLSA-N 296.798 5.019 5 10 CKBE CC(C)(C)[C@H](N)c1c2ccccc2cc2ccccc12 725411833 WMCUSLWRKTWLCN-GOSISDBHSA-N 263.384 5.039 5 10 CKBE CCCC[C@H](CCC)Nc1cc(C)c([N+](=O)[O-])cc1Cl 2204628868 BSQHOMLPMQRWSG-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE CCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl 36971097 ZBMGEKNMFSOOOQ-NSHDSACASA-N 284.787 5.019 5 10 CKBE Cc1cc([N+](=O)[O-])c(NC(C)(C)CC(C)(C)C)cc1Cl 2206793007 ANAIHMSBNKMRHO-UHFFFAOYSA-N 298.814 5.183 5 10 CKBE CCCCC[C@@H](CC)Nc1c(Cl)cccc1[N+](=O)[O-] 1879162300 PULBYLFNAIVTHO-LLVKDONJSA-N 284.787 5.019 5 10 CKBE CCCC[C@H](CCC)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2206593310 ILVMPZWFXQKTNF-LBPRGKRZSA-N 298.814 5.327 5 10 CKBE Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](C)[C@@H](C)CC(C)C 2153918225 CJBVXIRPXWAXGO-JQWIXIFHSA-N 298.814 5.039 5 10 CKBE CCC(C)(C)C1CCC(Nc2cccc([N+](=O)[O-])c2)CC1 37058562 FASHWWWWBZDUJP-UHFFFAOYSA-N 290.407 5.002 5 10 CKBE CC[C@@H](C)c1ccccc1Oc1cc(F)cc([N+](=O)[O-])c1 126031207 BTSRTNJJSKXHSE-LLVKDONJSA-N 289.306 5.040 5 10 CKBE CC1(C)CCCCC[C@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 719295654 COBBHIGMHUYAOI-CQSZACIVSA-N 296.798 5.019 5 10 CKBE CC(C)c1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-] 125315186 XRBZYGFBMUMQQW-UHFFFAOYSA-N 291.734 5.164 5 10 CKBE CC(C)[C@H](C)Sc1c([N+](=O)[O-])ccc(Cl)c1Cl 1997328771 VNUMPPVBYWNWHX-ZETCQYMHSA-N 294.203 5.038 5 10 CKBE COc1ccc2ccc3c4ccccc4c(OC)cc3c2c1 1000268 SCFUYZPZPLCEQN-UHFFFAOYSA-N 288.346 5.163 5 10 CKBE Clc1cccc2nc3c(cc12)sc1ccccc13 1772769330 RYELSDGYKGBKIW-UHFFFAOYSA-N 269.756 5.256 5 10 CKBE c1ccc2c(c1)cc1c3c2ccc2cccc(c23)[C@@H]2O[C@H]12 2008019 XGZQLNASOQVQTD-VQTJNVASSA-N 268.315 5.272 5 10 CKBE in-man,metabolite CCCNc1cc(CCC)nc2c1ccc1ccccc12 110112015 AHXQDZZVCOFIIF-UHFFFAOYSA-N 278.399 5.162 5 10 CKBE CC(C)c1ccc2oc3ccc(C(C)C)cc3c(=O)c2c1 207604130 SOHBTYQFKBMULQ-UHFFFAOYSA-N 280.367 5.193 5 10 CKBE CC[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 86899809 VZPICESXBHAECP-YPMHNXCESA-N 296.798 5.019 5 10 CKBE Cc1c(Cl)ccc([N+](=O)[O-])c1NC1CCCCCCC1 312769449 MUAMHQCTELHPMR-UHFFFAOYSA-N 296.798 5.081 5 10 CKBE CC(C)CC(CC(C)C)Nc1cc([N+](=O)[O-])ccc1Cl 37059890 ZFHPBSVMGFAGDW-UHFFFAOYSA-N 298.814 5.121 5 10 CKBE CCCCC[C@H](CC)N(C)c1cc(Cl)ccc1[N+](=O)[O-] 2206794636 WDSAENPUJCWDRN-ZDUSSCGKSA-N 298.814 5.043 5 10 CKBE Fc1c2ccc3ccccc3c2cc2ccc3ccccc3c12 137264127 OMXXKQQAUPRJOU-UHFFFAOYSA-N 296.344 6.439 5 10 CKBE CCNc1cc(CC(C)C)nc2c1ccc1ccccc12 132225952 VTJUMBYBOJBKJX-UHFFFAOYSA-N 278.399 5.018 5 10 CKBE CC[C@H]1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC1 2159437883 SLUFRTPCOXYSDA-NWDGAFQWSA-N 296.798 5.019 5 10 CKBE CC(C)c1cccc(Nc2cc(Cl)ccc2[N+](=O)[O-])c1 2206797560 ICHNRWFCPICKPK-UHFFFAOYSA-N 290.750 5.115 5 10 CKBE