smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[C@](C#N)(c1ccccc1)[C@@H](C)c1ccccc1 1685693 REAODULDQASWNS-QFBILLFUSA-N 263.384 5.052 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(C)cc1 5794831 CLWNVKWTZWPTSH-VZCCSQPZSA-N 279.408 5.243 30 40 CKEB CCCCCCC(=O)/C=C\c1ccc(Cl)c(Cl)c1 16955364 NDUOAXFSJRXWNF-CLFYSBASSA-N 285.214 5.546 30 40 CKEB CCCCCCCCCC[C@H](/C=N\O)NC1CCCCC1 100932010 RZBPLZSYHDJWMK-UGDGIKRESA-N 296.499 5.268 30 40 CKEB CCCCCCCCCCCCC[N+]1([O-])CCCCCC1 104199013 UCOBZZNCKHCBCK-UHFFFAOYSA-N 297.527 6.186 30 40 CKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(CC)cc1 409099421 SHFCKIHSFZZEIB-XDHOZWIPSA-N 287.790 5.052 30 40 CKEB CCCCCCCc1ccc(C(=O)C2CCCC2)cc1 575357357 DTYCEUVPODGFOM-UHFFFAOYSA-N 272.432 5.572 30 40 CKEB CC(=N\c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C 15230310 XFRDTZDCMXJTNJ-KSTNYAOJSA-N 292.426 5.805 30 40 CKEB Cc1ccc(Cl)c(N=Cc2ccc3ccccc3c2O)c1 260840650 SBCUUNCHSSEFHR-UHFFFAOYSA-N 295.769 5.258 30 40 CKEB CN(N=C1CCC(C2CCCCC2)CC1)c1ccccc1 4722714 JVKNNGWZGIHASU-UHFFFAOYSA-N 284.447 5.249 30 40 CKEB CCCCC#Cc1cccc2oc(-c3ccccc3)cc12 22011302 WYHJZBJRWLNRGB-UHFFFAOYSA-N 274.363 5.642 30 40 CKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccccc1Cl 71977051 CVODTUMVCDRMBP-CMDGGOBGSA-N 295.140 5.029 30 40 CKEB CCCCCCCC/C=C\CCCCCCCCN(C)C 95861387 DCNHQNGFLVPROM-QXMHVHEDSA-N 295.555 6.586 30 40 CKEB CCc1ccc(C(=O)/C=C/Nc2cccc(C(C)C)c2)cc1 409103332 WCGWHOZNNAAXIJ-OUKQBFOZSA-N 293.410 5.181 30 40 CKEB CCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330305 VORGIJZXOLFPLO-QXMHVHEDSA-N 286.328 6.271 30 40 CKEB Cc1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1 4411975 KUMUNSGTPZXEDW-HYARGMPZSA-N 283.374 5.317 30 40 CKEB CCCCCCCCCC(=O)c1ccc(SC)cc1 101474974 YKRPETQIDPATNW-UHFFFAOYSA-N 278.461 5.732 30 40 CKEB CCCCCCCc1ccc(C(=O)CCCC)cc1 575242868 LKBFSZQDAMZGDB-UHFFFAOYSA-N 260.421 5.572 30 40 CKEB CCCCCCCCCCCC[N+]1([O-])CCCC1 1565872 YHRGMQPTNZSTSB-UHFFFAOYSA-N 255.446 5.016 30 40 CKEB N#C[C@@H](CCc1ccccc1)c1ccc2ccccc2c1 1689914 CDPIATPBGZFLQE-HXUWFJFHSA-N 271.363 5.080 30 40 CKEB O=C1/C(=C/c2cccc(Cl)c2)c2cccc3cccc1c23 9638489 CVBYIWNMKSIALY-GZTJUZNOSA-N 290.749 5.230 30 40 CKEB CCCC[C@H](CC)CC[C@@H](CC(C)C)OCCC#N 1729702 ZJVAVXYEMLQDSU-IRXDYDNUSA-N 267.457 5.328 30 40 CKEB CCC[C@@H](C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C 17300592 MICHKAJGIMUFNA-SBGIHMHXSA-N 287.234 5.021 30 40 CKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 59138145 PPJJHNPQRSKXGJ-NPQOUYBPSA-N 296.414 5.144 30 40 CKEB CCCCCCCCCC[C@@H](O)c1ccc(C)cc1O 100922086 NXFUSPOCNUBHOT-QGZVFWFLSA-N 278.436 5.265 30 40 CKEB CCCCCCCCCC(=O)c1cccc(OC)c1 101474560 MCAWEZZZXSUJHR-UHFFFAOYSA-N 262.393 5.019 30 40 CKEB CCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530652 GUAAWEVBTJIQOP-MDZDMXLPSA-N 258.274 5.491 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(C)ccc2C)C1 408562919 GRUCQTQNQPXBKN-MAUBAPBLSA-N 299.458 5.405 30 40 CKEB C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34235433 QXEURENTQIAFIS-FSGKZVOOSA-N 284.443 5.075 30 40 CKEB in-vitro CCCCCCCCCCCC[C@@H]1CCC(=O)O1 85659636 SRIFJCOBFTWCTM-OAHLLOKOSA-N 254.414 5.003 30 40 CKEB endogenous,in-man CCc1ccc(O)c(/N=C/c2ccc(Cl)cc2Cl)c1 50590 MIMNUYOAEANRPK-GIJQJNRQSA-N 294.181 5.012 30 40 CKEB Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 32153832 BBCGMPDGJYMKGF-UKTHLTGXSA-N 292.422 5.497 30 40 CKEB CCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 60238897 DVJCOSCVKHXJQM-UHFFFAOYSA-N 287.230 5.927 30 40 CKEB CCCCCCCCCCC(=O)c1ccc(Cl)cc1 98045056 QIRPFIHJKQNGMS-UHFFFAOYSA-N 280.839 6.054 30 40 CKEB CCCCCCCCC(=O)c1ccc(Cl)c(C)c1 101471668 LAEWNOWYRPUTLO-UHFFFAOYSA-N 266.812 5.582 30 40 CKEB C=C(Cl)CN1c2ccccc2C=Cc2ccccc21 1010548 GVINZBGXIHBHST-UHFFFAOYSA-N 267.759 5.061 30 40 CKEB C/C(=N\Nc1ccccc1Cl)c1ccc2ccccc2c1 4933154 KZKHHFJGAVITFB-DEDYPNTBSA-N 294.785 5.329 30 40 CKEB O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)cc1Cl 33649812 RQGIKXGNYNUHFY-QPJJXVBHSA-N 295.140 5.029 30 40 CKEB CCn1c(C)cc(/C=N\c2ccc3ccccc3c2)c1C 409063637 DBWZNLMOCYJMHF-MOSHPQCFSA-N 276.383 5.029 30 40 CKEB CCCCCCCC/C=C\C(F)(F)C(F)(F)F 212146155 GUAAWEVBTJIQOP-KTKRTIGZSA-N 258.274 5.491 30 40 CKEB CCOc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 261177 ZKOOIKMDOPUEDT-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C#N)CCC[C@@]21C 3898589 KSODEYYYINEFHT-UFYCRDLUSA-N 281.443 5.344 30 40 CKEB N#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43 34018333 NLNUJONONMSVMF-UHFFFAOYSA-N 277.326 5.609 30 40 CKEB CCCCCCCCCCOC(=O)Nc1cccc(O)c1 1756450 GOJIBBZZKMRIFH-UHFFFAOYSA-N 293.407 5.081 30 40 CKEB CCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 101472150 ZVOYYOWHEQNPCC-UHFFFAOYSA-N 287.230 5.927 30 40 CKEB CCCCCCCC[C@H]1O[C@@H]1CCCCC(C)C 2090401 QVIBKECDBFIZNV-IAGOWNOFSA-N 254.458 5.721 30 40 CKEB biogenic Cc1ccc(/C=N/c2c(C(C)C)cccc2C(C)C)cc1 2182777 PMWCKOAENMVIPG-FYJGNVAPSA-N 279.427 5.992 30 40 CKEB O=C(/C=C\C=C/c1ccccc1)/C=C\C=C\c1ccccc1 8580399 RLJALOQFYHCJKG-HRPMROCJSA-N 286.374 5.095 30 40 CKEB CCCCCCCCCCCC(=O)c1cc(F)ccc1C 101474067 OPHXRBDOAKZVDO-UHFFFAOYSA-N 292.438 6.238 30 40 CKEB CCCCCCCCCCCCCC(=O)N1CCCCC1 100304342 RYVMIZOFKFLFHW-UHFFFAOYSA-N 295.511 5.700 30 40 CKEB C(=N/c1c2ccccc2nc2ccccc12)\c1ccccc1 101670285 WEAOAXVWUGWNIQ-KGENOOAVSA-N 282.346 5.139 30 40 CKEB N#Cc1cc(Oc2cccc3ccccc23)nc2ccccc12 233190 RJUKBUMEEJGITI-UHFFFAOYSA-N 296.329 5.052 30 40 CKEB C=CC(=C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 28541008 NIDGCIPAMWNKOA-VQTJNVASSA-N 278.524 7.168 30 40 CKEB biogenic,in-vitro CCCCCCOc1ccc(C=Nc2ccc(O)cc2)cc1 299888438 JRNVBZKAQTXOMH-UHFFFAOYSA-N 297.398 5.102 30 40 CKEB CCCCCCCNCc1cc(Cl)cc(Cl)c1 43648987 MGWUEURXLRWRGH-UHFFFAOYSA-N 274.235 5.053 30 40 CKEB C=C(C)Cc1ccc(-c2ccc(CCC)cc2)cc1 95902312 DGSHFVDNVYVBFQ-UHFFFAOYSA-N 250.385 5.425 30 40 CKEB CCCCCCCCCCCCCCSC(=N)N 95902523 ZFFFQLAKCJERMM-UHFFFAOYSA-N 272.502 5.314 30 40 CKEB CCCCCCCCCCCC[N+]1(C)CCCCC1 100302972 HLOSFNUKTPAIOO-UHFFFAOYSA-N 268.509 5.538 30 40 CKEB CCC[C@@]1(c2ccccc2)C=CC(c2ccc(C#N)cc2)=CC1 604938979 SBYICSLUZILCNZ-JOCHJYFZSA-N 299.417 5.640 30 40 CKEB C#C[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 3881364 MULUCORRSAVKOA-VAMGGRTRSA-N 294.523 5.810 30 40 CKEB CCCCCC(/C=N\Nc1ccccn1)=C\c1ccccc1 31667569 CNNTXSNTKQVTPV-KPVYVFMXSA-N 293.414 5.143 30 40 CKEB CCCCCCCCCCCCC[C@H]1C=CC(=O)O1 68562464 VXYITLXRBYCEBM-INIZCTEOSA-N 266.425 5.169 30 40 CKEB Clc1oc(-c2ccccc2)cc1/C=N/Nc1ccccc1 5667367 GXSAWYDGYVJUOX-XDHOZWIPSA-N 296.757 5.046 30 40 CKEB CCCCCCCC/C=C\CCCCOC(C)=O 59725223 IAGBQBDKOCVGCC-KHPPLWFESA-N 254.414 5.027 30 40 CKEB Cc1ccc([C@H](C)CCC(=O)/C=C/c2ccccc2)cc1 5546295 CEMDYGVWFNPYCB-GSPCDJLXSA-N 278.395 5.161 30 40 CKEB C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1 3127768 IVLKOQQDXYRQDD-UHFFFAOYSA-N 293.838 5.585 30 40 CKEB CCCCCCCCC(=O)c1ccc(Br)cc1 100009679 JIVVSHXGCFTTTG-UHFFFAOYSA-N 297.236 5.382 30 40 CKEB CCCCCCCc1ccc(C(=O)C(CC)CC)cc1 145573746 VWASUPWBJUEJTM-UHFFFAOYSA-N 274.448 5.818 30 40 CKEB O=C(/C=C/c1cccc(F)c1)c1cc(Cl)ccc1Cl 6340913 KHZSCAMPDWBIFA-QPJJXVBHSA-N 295.140 5.029 30 40 CKEB CCCCCCC[N+](C)(C)CC1=CC[C@@H]2C[C@@H]1C2(C)C 100741712 BEURXEUMCUJWMG-MSOLQXFVSA-N 278.504 5.026 30 40 CKEB CCCCCCCCCCCCSC(=O)NCCC 104163420 KJXJCCPWSFHWIO-UHFFFAOYSA-N 287.513 5.760 30 40 CKEB C/C=C\CCCCCCCCCCCCCCCC 104390521 HANVOGLDKHFHBY-HYXAFXHYSA-N 266.513 7.434 30 40 CKEB Cc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(F)c1 51318704 WGNHIIUMZWWSIZ-ZHACJKMWSA-N 297.373 5.066 30 40 CKEB C#CCCCCCCCCCP(=O)(OCC)OCC 96639843 ZCOVBEAZCAHJDG-UHFFFAOYSA-N 288.368 5.007 30 40 CKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1 4722945 UYSQTRSUAALZHQ-KPKJPENVSA-N 292.765 5.389 30 40 CKEB CCCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1OC(C)=O 104332537 ZBXJYKOJDHTIKR-XIRDDKMYSA-N 268.441 5.105 30 40 CKEB C=C(C)C[C@H](C)CCCCCCCCCCCC 101105504 MWUUQILOAYQBGT-GOSISDBHSA-N 252.486 6.900 30 40 CKEB Clc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)s1 408968289 XXNAQNAXSVBRNS-UUASQNMZSA-N 290.602 5.459 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 1673484 FWUGUWWARQCCAV-RTBURBONSA-N 280.520 5.394 30 40 CKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1 6862815 GSXALLLVZAXTNH-CMDGGOBGSA-N 295.140 5.029 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@@H]1c1ccccc1 12654677 USDNJLFMSOKPKT-YZGWKJHDSA-N 284.443 5.845 30 40 CKEB biogenic CCCCCCCCCCC/C(=N\O)c1ccc(C)cc1 100924919 GEXXJCXSTODMBS-FMQUCBEESA-N 289.463 6.094 30 40 CKEB CCCCCCCC[C@H](C)/C(C)=C/CC/C(C)=C/C(=O)O 2332242313 ALKVUQQKJHZCBE-OHLQQJINSA-N 294.479 6.131 30 40 CKEB CCCCC/C(C)=C1\Oc2c(C)c(C)cc(C)c2C1=O 17003510 CWONGEACUFNMJN-BOPFTXTBSA-N 272.388 5.041 30 40 CKEB O=C(/C=C/c1ccccc1F)c1ccc(Cl)c(Cl)c1 5810728 YXJNGRWNHKAJGL-SOFGYWHQSA-N 295.140 5.029 30 40 CKEB O=C(/C=C/c1ccccc1)c1ccc(C2CCCCC2)cc1 17301018 PSNXNXUTCMQGHA-LFIBNONCSA-N 290.406 5.630 30 40 CKEB C=C[C@](C)(O)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C 31333829 IQDXAJNQKSIPGB-TWOUZSEPSA-N 290.491 6.123 30 40 CKEB CCCCCCCCCCCCS/C=C/C(=O)O 101657824 OSIFKZVUOUNBGL-WYMLVPIESA-N 272.454 5.239 30 40 CKEB C=CCc1c(-c2ccccc2)cccc1-c1ccccc1 104959356 ACWBLSDTMXZUIA-UHFFFAOYSA-N 270.375 5.749 30 40 CKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1C1CCCCC1 408741706 RRLKMFLWIIZPDG-FYJGNVAPSA-N 298.405 5.500 30 40 CKEB C=CCCC(=O)c1ccc(CCCCCCC)cc1 575357634 UVZOBNDPXKOGMS-UHFFFAOYSA-N 258.405 5.348 30 40 CKEB CC(C)c1cccc(C(C)C)c1/N=C/c1ccc[nH]1 384797 DEUAJESEJNJMBD-YBFXNURJSA-N 254.377 5.012 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(Cl)cc1 1600476 SQXFLYBOPPSMSG-UHFFFAOYSA-N 294.866 6.444 30 40 CKEB N#C[C@]12CCCC[C@H]1CC1=C(CCCC1)N2c1ccccc1 2279425 PCKPVHHMIHMOOT-FXAWDEMLSA-N 292.426 5.177 30 40 CKEB Cc1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1Cl 408858026 RFNXIYFMSTYYPF-JAIQZWGSSA-N 296.801 5.199 30 40 CKEB CCCCCCCCCCC[C@@H](O)CCCCC 100302812 AGITVGTVVWLRGX-KRWDZBQOSA-N 256.474 5.849 30 40 CKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\O 118916157 XPZHAZFQUFNMAU-KFAXOAFNSA-N 289.463 5.249 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(C)c2)C1 408563631 QNHJAUPGRGWYAS-QJPKHSJYSA-N 285.431 5.096 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](C)O 42851296 OXGBCSQEKCRCHN-GOSISDBHSA-N 270.501 6.239 30 40 CKEB CCCCCCCCCc1ccsc1Br 100012832 RJVVYNBWIBWTKX-UHFFFAOYSA-N 289.282 5.804 30 40 CKEB FC(F)(F)c1cccc(/N=C\c2ccccc2Cl)c1 104127391 MWUZPYNPLPQOPF-OCKHKDLRSA-N 283.680 5.109 30 40 CKEB O=C(/C=C\Nc1ccccc1)c1ccc(-c2ccccc2)cc1 105508957 LZLTWISCHZLOIU-NXVVXOECSA-N 299.373 5.162 30 40 CKEB CCCCCCSC(=NC#N)SCCCCCC 3160412 KFQBSFRYMIZVEQ-UHFFFAOYSA-N 286.510 5.450 30 40 CKEB O=C(/C=C\C=C/c1ccccc1)/C=C\C=C/c1ccccc1 16892532 RLJALOQFYHCJKG-WCQNVVTFSA-N 286.374 5.095 30 40 CKEB CCCCCCCCCCOC(=O)[C@@H](CC)CCCC 103824601 NPTQTLMUAAVGNU-KRWDZBQOSA-N 284.484 5.887 30 40 CKEB Cc1ccc(/N=C/c2cccc3ccccc23)cc1Cl 5753892 RAKHRQFDXHBBCT-UDWIEESQSA-N 279.770 5.552 30 40 CKEB C(=N\c1ccc2ccccc2c1)\c1cccn1-c1ccccc1 103600237 XKQBRPNNYZWIAX-JWGURIENSA-N 296.373 5.381 30 40 CKEB CCCCN1c2cc(Cl)c(C#N)cc2[C@@H](C)CC1(C)C 223775931 LVEVTKJECAUSTH-LBPRGKRZSA-N 290.838 5.104 30 40 CKEB Cc1ccccc1/N=C/c1c(Cl)cccc1Cl 8570794 UTOCFKFLJIZJMI-RQZCQDPDSA-N 264.155 5.052 30 40 CKEB CCCCCCCCNCc1cccc(Cl)c1Cl 102561683 FFOBOWIMVHCBTO-UHFFFAOYSA-N 288.262 5.444 30 40 CKEB Cc1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 5722786 RHDMGURICNGYKG-LTGZKZEYSA-N 298.385 5.419 30 40 CKEB C(#Cc1cccc2oc(-c3ccccc3)cc12)c1ccccc1 22015440 BQMSASRJSHFXJP-UHFFFAOYSA-N 294.353 5.500 30 40 CKEB Cc1c(Cl)cccc1/N=C\c1ccc2ccccc2c1O 100248625 URKWANFNACLGJH-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCC(=O)c1ccc(N(C)C)cc1 101472786 VTULGUQKVGYLCJ-UHFFFAOYSA-N 275.436 5.076 30 40 CKEB CCCCCCCCCCc1ccc(-c2ccccc2)cc1 2145698 YYBDFGOLQQVHDV-UHFFFAOYSA-N 294.482 7.037 30 40 CKEB CCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1 43065389 SBUKOHLFHYSZNG-HDICACEKSA-N 283.500 5.017 30 40 CKEB in-vitro Cc1ccc(C(=O)/C=C/Nc2c(C)cccc2Cl)cc1C 44844200 HSPMJZVLDQRBIT-MDZDMXLPSA-N 299.801 5.074 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(O)cc1O 1688124 WFMWRPOIFMFIKO-UHFFFAOYSA-N 292.419 5.201 30 40 CKEB C=CCC1(Nc2c(C)cccc2CC)CCCCC1 3905452 OXKYEBPAQDRZFX-UHFFFAOYSA-N 257.421 5.248 30 40 CKEB CCCCCCC[C@@H]1CCC/C1=N/OC(=O)C(C)(C)C 100165830 CGHXVRXFCNGJHN-QFVIEVDGSA-N 281.440 5.092 30 40 CKEB C(=N/[C@@H]1[C@@H]2CCC[C@@H]1C1=C(CCCC1)C2)\c1ccccc1 100894168 XFBAGFALBVWYDX-BCZHKABWSA-N 279.427 5.165 30 40 CKEB CCCCCCCCCc1ccc(O)c2nc(C)ccc12 100935861 XKURYCUWVGQSRX-UHFFFAOYSA-N 285.431 5.542 30 40 CKEB C(=N/[C@@H]1[C@H]2CCC[C@@H]1C1=C(CCCC1)C2)\c1ccccc1 4951708 XFBAGFALBVWYDX-VANUFHMWSA-N 279.427 5.165 30 40 CKEB CCCOc1ccccc1/C=N/c1cccc(Cl)c1C 6943351 VUBGDUVCZFZZHP-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCC/C=C\CCCCCCCC(=O)O 102181517 QSBYPNXLFMSGKH-HJWRWDBZSA-N 268.441 5.718 30 40 CKEB in-vitro Cc1cccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)c1 408767081 VMRTYQUWCJFELC-STZFKDTASA-N 294.442 5.154 30 40 CKEB CCCCCCC(/C=C/c1ccccc1Cl)=N\O 17060396 VFGRQGQSCTYMFC-MUIYJVFTSA-N 265.784 5.154 30 40 CKEB C[C@H]1CCCC/C1=N/N=C(c1ccccc1)c1ccccc1 33714928 ABFJPUPROSZMLA-XOMICKMZSA-N 290.410 5.090 30 40 CKEB CCCCCCCCCCC[C@@H](O)c1ccc(C)cc1O 100922093 OSPXETUYFADPEZ-GOSISDBHSA-N 292.463 5.655 30 40 CKEB C=CCC1(Nc2ccc3ccccc3c2)CCCCC1 1044413 VTBIXRLSYVGYRG-UHFFFAOYSA-N 265.400 5.531 30 40 CKEB CCC[C@@](C#N)(c1ccccc1)[C@@H](C)c1ccccc1 1685692 REAODULDQASWNS-LPHOPBHVSA-N 263.384 5.052 30 40 CKEB Cc1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3C)cc1 4694547 ZXDXMXXBBYXEFV-HYARGMPZSA-N 298.389 5.391 30 40 CKEB CCCCCCCCCCCCCCCCNCCO 43587414 SIFHZKKXWMJWOB-UHFFFAOYSA-N 285.516 5.050 30 40 CKEB CCCCCCCCCCCCCC[N+]1([O-])CCCC1 104198968 ADBOOZWFNINPER-UHFFFAOYSA-N 283.500 5.796 30 40 CKEB CCOc1ccc(Cl)cc1/C=N\c1ccccc1Cl 409105265 LVVPNLMVFRETQD-ZDLGFXPLSA-N 294.181 5.143 30 40 CKEB CCC#CCCCCCCCCCCCCCCCC 85663761 AQBXRWJMJJJCLI-UHFFFAOYSA-N 278.524 7.271 30 40 CKEB endogenous,in-man C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3)cc21 196874842 KXDKFBIKWWKJHJ-HBBMIWKISA-N 292.426 5.159 30 40 CKEB Cc1ccc(/N=C\c2cccn2-c2ccccc2)cc1Cl 408821185 DHLRPWWJFNVJOT-MOSHPQCFSA-N 294.785 5.190 30 40 CKEB C/C=C/SC(=Nc1ccccc1)Nc1ccccc1 1593742 YDKYFODTSPCZQY-XNJYKOPJSA-N 268.385 5.053 30 40 CKEB CCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C 43068415 HFOFYNMWYRXIBP-RBUKOAKNSA-N 282.512 6.501 30 40 CKEB in-vitro CCCCCC/C=C/C#CCCCCCCCC(=O)OC 100501222 QMZUILXAAOEXNR-CMDGGOBGSA-N 292.463 5.420 30 40 CKEB CCCCCCCSc1ccc2c3c(cccc13)C(=O)N2 1773971 SOKQMMPNMVOJOD-UHFFFAOYSA-N 299.439 5.468 30 40 CKEB O=C(/C=C/c1ccc2oc3ccccc3c2c1)c1ccccc1 3898787 GKOWXPMPZIMZEM-ZRDIBKRKSA-N 298.341 5.482 30 40 CKEB biogenic CCCCCCCCCCC#Cc1ccc(C)cc1C 101735536 CPNOTZMPDACUIY-UHFFFAOYSA-N 270.460 6.186 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccccc1 408842798 BMTCWZRYPKZNGB-DEDYPNTBSA-N 294.785 5.190 30 40 CKEB C/C(=C\C(=O)CC(C)(C)c1ccccc1)c1ccccc1 5380733 MHLAPFZUHWRUJR-JQIJEIRASA-N 278.395 5.027 30 40 CKEB CCCCCCCCC(OCCCC)OCCCC 104359974 QIRRMGBRXHLLMP-UHFFFAOYSA-N 272.473 5.697 30 40 CKEB CCc1ccc(N/C=C2\C[C@H](C(C)(C)CC)CCC2=O)cc1 408563938 SJXLJGWXDGERNI-FYPAKXHLSA-N 299.458 5.350 30 40 CKEB CCn1c(C)cc(/C=N\c2ccc(Cl)c(Cl)c2)c1C 409066963 OHHCFHMNJSUESY-NVMNQCDNSA-N 295.213 5.182 30 40 CKEB CCCCCCCCCc1ccc(-c2ccccc2)cc1 2144869 XMYSGVNXYKACMA-UHFFFAOYSA-N 280.455 6.647 30 40 CKEB C=CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Cl 8084670 CSJJVNXPAQIPQQ-DEDYPNTBSA-N 299.801 5.218 30 40 CKEB CCCCCCCC(=O)c1ccc(C(C)(C)C)cc1 59211571 MPDZVKZYRVXMJD-UHFFFAOYSA-N 260.421 5.527 30 40 CKEB CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 71977000 YSGKDEAIGQDRIX-FMIVXFBMSA-N 298.813 5.534 30 40 CKEB CCCCCCCCCC[C@@H](O)c1cc(C)ccc1O 100922090 KQHXIXZSOKGQJQ-QGZVFWFLSA-N 278.436 5.265 30 40 CKEB CCCCCCCCCCCC1=NC(C)(C)CN1C(C)C 1759113 WWLAQXMQQFPUOQ-UHFFFAOYSA-N 294.527 5.808 30 40 CKEB C=C(C)[C@H]1C[C@H](CC)C(C)=C1CC[C@@H](C)OC(=O)C(C)C 4783326 UUFPXEQEJWULTJ-UWWQBHOKSA-N 292.463 5.293 30 40 CKEB Cc1[nH]c2c(ccc3ccccc32)c1[C@H]1[C@H](CC#N)C1(C)C 1410318 GDRMTPNBMRUNFO-FUHWJXTLSA-N 288.394 5.283 30 40 CKEB CCCCCCCCCSc1ccc(C(=O)O)cc1 1723528 WPRQLJTZPKKUDJ-UHFFFAOYSA-N 280.433 5.228 30 40 CKEB CCCCCCCCCCCCCCCNC(C)=O 86040463 JHHXEQAVFNLSQT-UHFFFAOYSA-N 269.473 5.214 30 40 CKEB CCCCCCCCCCCCCCCCC(C)C 100104885 KVQVGSDBGJXNGV-UHFFFAOYSA-N 268.529 7.514 30 40 CKEB CCCCCCCCCCN1CCO[C@H](CCCC)C1 100923435 YCYNWTKRLWRQRU-GOSISDBHSA-N 283.500 5.018 30 40 CKEB CCCCCCCCCCCCc1ccc(C(C)=O)cc1 1671553 BHNXFIZZDLESSJ-UHFFFAOYSA-N 288.475 6.353 30 40 CKEB CCCCCCCC[C@H](CCCCCC)CC(=O)O 59787167 ZJCPPSOBZDPPEI-INIZCTEOSA-N 270.457 5.798 30 40 CKEB CCCCCCCCCCCCOC(=O)c1cccnc1 100311142 OOBIYKZOAIQDEC-UHFFFAOYSA-N 291.435 5.159 30 40 CKEB C=C(C)C[C@H]1C=CC[C@@H](CC(=C)C)N1Cc1ccccc1 5457009 PNNDPZUDECWKOK-UXHICEINSA-N 281.443 5.118 30 40 CKEB Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1Cl 409214230 WSPLVKUIDUANFW-QGMBQPNBSA-N 298.600 5.706 30 40 CKEB CCCCCCCCCCCCCCC#CC#CC(=O)O 2528028 LFKNZQNITZRUEE-UHFFFAOYSA-N 290.447 5.169 30 40 CKEB in-vitro CCCCCCCCCCCC[S@](=O)CCCC 98001687 WWHDZGPCPHUBFI-SFHVURJKSA-N 274.514 5.456 30 40 CKEB O=C(/C=C\c1ccc(Cl)s1)c1ccc(Cl)s1 17314014 SWOYNTHAVGKVJZ-IWQZZHSRSA-N 289.208 5.013 30 40 CKEB CCCCCCCCNCc1ccccc1C(F)(F)F 102561740 JHNBGILVYJHKAT-UHFFFAOYSA-N 287.369 5.156 30 40 CKEB CCCCCCCCNCc1ccc(C(C)C)cc1 1998620 GFJYNQALVNKHCS-UHFFFAOYSA-N 261.453 5.260 30 40 CKEB CCCCCCCCCCCCCCCC[C@H](N)C(=O)O 60118314 XRKBQVGBWJWJJJ-KRWDZBQOSA-N 299.499 5.270 30 40 CKEB Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 68930 RNTCLRMXEKYEAP-CPNJWEJPSA-N 292.407 5.551 30 40 CKEB C=CCCCCCCCCC(=O)OC1CCCCC1 16951910 ZVOATAPORJSUST-UHFFFAOYSA-N 266.425 5.169 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1Cl 17288785 OTAIJMNIXXQPMD-VXLYETTFSA-N 287.790 5.228 30 40 CKEB CCCC1CCC(=NNc2nc3ccccc3s2)CC1 5785958 USIXFERPYLWPEA-UHFFFAOYSA-N 287.432 5.055 30 40 CKEB C(=N/c1ccccc1/N=C/c1ccccc1)\c1ccccc1 16451007 BDGKAZBPCFIFBR-YHARCJFQSA-N 284.362 5.188 30 40 CKEB C=CC(=C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 28541000 NIDGCIPAMWNKOA-PMACEKPBSA-N 278.524 7.168 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCCCCC[C@H](O)CCC 105406368 BTTMZEBIMDNSPK-HXUWFJFHSA-N 298.555 7.019 30 40 CKEB CCCc1ccc(-c2ccc(C(=O)C=C(C)C)cc2)cc1 575359084 RVASKHVRELYLJT-UHFFFAOYSA-N 278.395 5.455 30 40 CKEB Cc1ccc(/N=C2/CCCC[C@H]2Nc2ccc(C)cc2)cc1 104085594 MDKCLFSIQHQHBS-WEACTYFJSA-N 292.426 5.431 30 40 CKEB C/C(=N/N=C(/C)c1ccc(C)cc1C)c1ccc(C)cc1C 12338970 DHBHRMINRYIUIH-SVJWQLCWSA-N 292.426 5.153 30 40 CKEB CCC(/C=C/c1ccccc1)=N\Nc1ccc(Cl)cc1 16942822 GRABOUDUOZGJLO-BNGMRHCJSA-N 284.790 5.231 30 40 CKEB CCCCCCCCCCCCC[C@@H](C)C(=O)O 100036493 XEFOHUNTIRSZAC-OAHLLOKOSA-N 256.430 5.408 30 40 CKEB biogenic,in-vitro CC(C)(C)C1CCC(C#N)(/N=N/c2ccccc2)CC1 17126640 XTLYPXSWIOVFAP-FMQUCBEESA-N 269.392 5.269 30 40 CKEB CCCCCCCCC(=O)c1cccc(Cl)c1C 101471371 DUEMNRCGDJBBCR-UHFFFAOYSA-N 266.812 5.582 30 40 CKEB CC1(C)CC(=O)C2=C(C1)C[C@]1(C)CC(C)(C)C[C@]2(Cl)C1 103109019 SQQIERGXMVUMSE-MSOLQXFVSA-N 294.866 5.270 30 40 CKEB CC(=C=CC(C)(C)/C=N/c1ccccc1)CCC=C(C)C 3175748 WFCICFADPDGSIQ-LTGZKZEYSA-N 281.443 6.263 30 40 CKEB CCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525459 HYRVFXGCUZSJPN-UHFFFAOYSA-N 268.216 5.180 30 40 CKEB C(=N/c1cccc(/N=C/c2ccccc2)c1)\c1ccccc1 16451004 CBQMVIHKOJZBAZ-YHARCJFQSA-N 284.362 5.188 30 40 CKEB C=C[C@](C)(O)C[C@@H](C)CCCCC[C@@H](C)CCCC(C)C 32218664 IOLVAUYSSNEWQQ-AABGKKOBSA-N 296.539 6.363 30 40 CKEB CCCCCCCCCCCCCCCCCC(=N)N 97957366 AAUVMHNVCYAQBT-UHFFFAOYSA-N 282.516 6.184 30 40 CKEB O=C(/C=C/C=C\c1ccccc1)/C=C/C=C\c1ccccc1 253529448 RLJALOQFYHCJKG-GIUXIPRXSA-N 286.374 5.095 30 40 CKEB C=CCCCCCCCC[C@@H]1O[C@H](C)CC(C)(C)O1 4429319 BRXNTZKPKAJNFN-HZPDHXFCSA-N 268.441 5.223 30 40 CKEB CCc1ccc(/N=C/c2cccc3ccccc23)cc1 8085050 WRBIIBBGOBKAAC-XSFVSMFZSA-N 259.352 5.153 30 40 CKEB C/C(=N\OCc1ccccc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 12351024 HAHCRHHAOGMQGR-POBWEVHBSA-N 299.801 5.036 30 40 CKEB CCCCCCCCCCCCCCC[C@H](C)CC 100306147 PGZRTPKNSFMAOP-LJQANCHMSA-N 268.529 7.514 30 40 CKEB CCCCCCCC[P@](=O)(O)CCCCCC 147601886 YMFPTVLRQNVOMB-UHFFFAOYSA-N 262.374 5.198 30 40 CKEB CC(C)c1ccccc1/N=C\c1ccc2ccccc2c1O 1100242 CGGWQFXLKJNIDX-BKUYFWCQSA-N 289.378 5.419 30 40 CKEB C=CCCCCCCCCC(=O)Oc1cc(C)ccc1C 2057734 SBDSJOGZFJEOPD-UHFFFAOYSA-N 288.431 5.516 30 40 CKEB C/C(CCc1oc2ccc(C)cc2c1-c1ccc(C)o1)=N/O 12437135 HFLLIKTTYLBGTQ-UNOMPAQXSA-N 297.354 5.092 30 40 CKEB CCCCCCCC/N=N/[C@H](C)CCCCC(=O)OCC 104103784 YIQKDVXOIHTLMS-VRTBNJGNSA-N 298.471 5.311 30 40 CKEB CCCCCC/C=C\CCCCCCCCCCO 59724804 XMLQWXUVTXCDDL-FPLPWBNLSA-N 268.485 6.016 30 40 CKEB in-vitro O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 71977073 GUHOZYXIKBXSGN-QPJJXVBHSA-N 295.140 5.029 30 40 CKEB CCCCCCCCCCN1C[C@H]2CC=CC[C@H]2C1 104373943 OPIUBYGPOHBWMU-HDICACEKSA-N 263.469 5.025 30 40 CKEB Cc1cc(/C=N/c2cccc(O)c2)c(C)n1C1CCCCC1 408742653 XNFWDFAVXUFPCB-DEDYPNTBSA-N 296.414 5.066 30 40 CKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(C)c(Cl)c2)c1 44844613 ACNIZZGATBSDCC-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB CCCOc1ccc2ccccc2c1/C=N/c1ccccc1 6942645 JDDQTJONKXIRRI-RCCKNPSSSA-N 289.378 5.379 30 40 CKEB CCCCCCCC#Cc1ccc(Cl)c(Cl)c1 101735495 PMYMVQFPVUAKKX-UHFFFAOYSA-N 269.215 5.705 30 40 CKEB CC(C)(C)C1=CC(=Nc2ccccc2)C=C(C(C)(C)C)C1=O 4154590 CXVKVRZNTQUYKW-UHFFFAOYSA-N 295.426 5.287 30 40 CKEB CCCCCCCCCC[C@H](O)c1cccc(C)c1O 100922081 KFEBKPUOJKMVAG-KRWDZBQOSA-N 278.436 5.265 30 40 CKEB CCCCCCCCCC(=O)c1cc(C)c(C)cc1C 101475451 CEDLXVQFNZMRAF-UHFFFAOYSA-N 274.448 5.935 30 40 CKEB Cc1ccc(C(=O)/C=C/c2cccc3ccccc23)c(C)c1 4276680 DECBTVONJIWPOE-ACCUITESSA-N 286.374 5.353 30 40 CKEB C=C[C@@](C)(CC/C=C(/C)CCC=C(C)C)OC(=O)C(C)C 1697423 TXLYSYOKEBFFAC-LYDJUCFBSA-N 292.463 5.603 30 40 CKEB CCCCCCCCCCC(=O)Nc1ccc(C)cc1C 2057682 NTHFCNXJHQHAGJ-UHFFFAOYSA-N 289.463 5.773 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC(C)(C)CO[C@@H]1c1ccccc1 2105987 QJMJQQKEWWQJQY-VQTJNVASSA-N 298.470 6.093 30 40 CKEB biogenic C=CCCC(=O)c1ccc(-c2ccc(CCC)cc2)cc1 575359011 OGRRLNREWRVOAU-UHFFFAOYSA-N 278.395 5.455 30 40 CKEB C[C@]12CCC[C@@H]1[C@@H]1CC[C@@H]3C[C@H](C#N)CC[C@@]3(C)[C@@H]1CC2 13399109 KLNWLDZOCLFNHL-PDEMJFSWSA-N 285.475 5.559 30 40 CKEB FC(F)(F)c1cccc(/N=C/c2ccccc2Cl)c1 16952984 MWUZPYNPLPQOPF-DJKKODMXSA-N 283.680 5.109 30 40 CKEB C(=N\c1ccccc1)\c1ccc(/C=N\c2ccccc2)cc1 101671743 XYMUFEVKENAHFB-BMJUYKDLSA-N 284.362 5.188 30 40 CKEB COc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1 359559 OKCUJJCFKXLRJQ-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB COc1ccc(/C=N/c2ccc(C)cc2C)c2ccccc12 1227241 GJIZGDPTWTVYSP-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB CCCCCCCCCCSc1n[nH]c(=S)s1 1724622 STUOKTRFEREHEI-UHFFFAOYSA-N 290.523 5.433 30 40 CKEB CCCCCCCn1c(C(C)C)nc2ccccc21 50861301 SETYDRWZIRTYAZ-UHFFFAOYSA-N 258.409 5.130 30 40 CKEB CCCCCCCCNCc1c(OC)ccc2ccccc12 100048927 ISNUKQAIXAFSEQ-UHFFFAOYSA-N 299.458 5.299 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(F)c(C)c1 101473954 LVLMSJXAFHNMGP-UHFFFAOYSA-N 292.438 6.238 30 40 CKEB CCCCCCCCCCCCCC/C=C\C(F)(F)F 575330546 UYZJNFSGFTXQSY-NXVVXOECSA-N 292.429 7.196 30 40 CKEB CCCCCCCCCCC[C@H]1OCC[C@@H](C)O1 1679865 MXKDOMWUEBTZDD-CVEARBPZSA-N 256.430 5.059 30 40 CKEB C=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 85975148 RNTRDTWDTOZSEV-RBUKOAKNSA-N 266.513 7.002 30 40 CKEB CCCCCCCCCc1ccc(COCCCC)cc1 104261854 VHNSNTRESWOWSM-UHFFFAOYSA-N 290.491 6.296 30 40 CKEB CCCCCCCCCNc1ccc(C(=O)OCC)cc1 1723526 GEANBWWTROCILH-UHFFFAOYSA-N 291.435 5.026 30 40 CKEB Oc1c(/C=N/c2cccc(Cl)c2)sc2ccccc12 5155534 NXWAYASMCASLGW-RQZCQDPDSA-N 287.771 5.011 30 40 CKEB CCCCCCCCCCCCC(=O)c1ncco1 100300515 ASCDMTJLKMAUPY-UHFFFAOYSA-N 265.397 5.168 30 40 CKEB C=CCc1cc(C2CCC(CCC)CC2)ccc1O 201127425 MKARXFQFRHRMKB-UHFFFAOYSA-N 258.405 5.195 30 40 CKEB COc1ccc(/N=C/c2ccc(-c3ccc(C)cc3)o2)cc1 272120 MTUHQIAEXMFQDH-DEDYPNTBSA-N 291.350 5.014 30 40 CKEB FC(F)(F)c1ccccc1NN=C1CCCCCCC1 6673947 JQXICHRJZKZEKY-UHFFFAOYSA-N 284.325 5.218 30 40 CKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CO 5760517 YHXQJKUUMBTWSB-SOXCBWEDSA-N 290.491 5.814 30 40 CKEB CCCCCCCCCCCCCCCCCCOCC 86050975 DGLWHXRTXWIDEE-UHFFFAOYSA-N 298.555 7.284 30 40 CKEB CCCCCCCCCC(=O)c1ccc(F)cc1 101474222 LKHJQPQDICUKGG-UHFFFAOYSA-N 250.357 5.149 30 40 CKEB CCOc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 65806 KVOKIRRFKCYUDF-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB C=C(C)CC1(N[C@@H](C)c2ccccc2)CCCCC1 3315232 KDQWNNPVCBUWRB-INIZCTEOSA-N 257.421 5.006 30 40 CKEB CCCCCCCCCCC[C@@H](C)NCc1ccccc1 100688972 JUARPGXKJLXOCX-LJQANCHMSA-N 289.507 6.086 30 40 CKEB CCCCCCCCCCC#Cc1cc(F)cc(Cl)c1 101735254 DOQLWDKARSYQOG-UHFFFAOYSA-N 294.841 6.361 30 40 CKEB CCCCCCCCCCC#Cc1ccc(C(C)(C)C)cc1 101732774 KQRVDDJTTDNVLN-UHFFFAOYSA-N 298.514 6.866 30 40 CKEB N#Cc1ccccc1CSc1ccc2ccccc2c1 5230884 CGJGVOQRGPTVEY-UHFFFAOYSA-N 275.376 5.004 30 40 CKEB Cl/C(=C/C=N/Nc1ccc(Cl)cc1)c1ccccc1 16450698 LNASEHBLZFPZNO-MIKCAUBTSA-N 291.181 5.018 30 40 CKEB CCc1ccc(C(=O)/C=C/Nc2ccccc2C(C)C)cc1 982560 JUBFETVAFLFOOG-BUHFOSPRSA-N 293.410 5.181 30 40 CKEB C/C(=N\OCc1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 12351017 HAHCRHHAOGMQGR-XYLSPAALSA-N 299.801 5.036 30 40 CKEB C=CC/N=C(\N)SCCCCCCCCCCCC 100651689 NGRLQFNTQVKZMG-UHFFFAOYSA-N 284.513 5.141 30 40 CKEB in-vitro CCCCCCCCCCCC[C@@H](C)C(=O)OCC 101105951 UOEPHBOLYJPFHY-MRXNPFEDSA-N 270.457 5.497 30 40 CKEB CCCCCCCCCCCCCCCCON 104209872 LFEDBDWFFNNYNT-UHFFFAOYSA-N 257.462 5.358 30 40 CKEB CCCCCCCCCc1ccc(COCC)cc1 1600794 JRELYCQNFAFUHE-UHFFFAOYSA-N 262.437 5.516 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1c(O)ccc2ccccc12 100003658 UQPWYKVHTMCVFB-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCC(=O)c1cc(F)c(F)c(F)c1 101475352 DDLYRLRREBOEAZ-UHFFFAOYSA-N 286.337 5.427 30 40 CKEB CCCCc1ccc(N=Cc2ccc(C)cc2)cc1 256169226 KCHFMTRVJWKQAC-UHFFFAOYSA-N 251.373 5.088 30 40 CKEB CC(C)(C)[C@@H](CC(=O)/C=C\c1ccccc1)c1ccccc1 17283877 FZRMCJWOUKRDIU-KYFVDPIZSA-N 292.422 5.489 30 40 CKEB CCCCCC/C=C/CCCCCCCC(=O)OCC 85836541 JELGPLUONQGOHF-MDZDMXLPSA-N 282.468 5.807 30 40 CKEB in-man,metabolite Cc1cc(C)c(/C=N/c2cc(Cl)cc(Cl)c2)c(C)c1 46505 QBKGIQGPKPIWLD-DJKKODMXSA-N 292.209 5.669 30 40 CKEB C=C(c1ccccc1)C1c2ccccc2Cc2ccccc21 8384654 YMWUDHPMXJREFT-UHFFFAOYSA-N 282.386 5.436 30 40 CKEB Cc1c(C(=O)/C=C/c2ccccc2)cccc1-c1ccccc1 575358683 ZGTONJJAJDMSNF-FOCLMDBBSA-N 298.385 5.558 30 40 CKEB Cc1cccc(/N=C(/S)N(c2ccccc2)C(C)C)c1C 8687949 SYYIWZAHAGPYHK-UHFFFAOYSA-N 298.455 5.136 30 40 CKEB Cc1ccc([C@H](C)CCC(=O)/C=C\c2ccccc2)cc1 13404712 CEMDYGVWFNPYCB-JBXOJTMHSA-N 278.395 5.161 30 40 CKEB [N-]=[N+]=Nc1ccc(Oc2ccc(N=[N+]=[N-])cc2)cc1 15020119 BVKCTCWYHGXELK-UHFFFAOYSA-N 252.237 5.363 30 40 CKEB in-vitro CCCCCCCCC(=O)c1ccc(F)c(C)c1 101473949 KVGFYFWSDALNBP-UHFFFAOYSA-N 250.357 5.067 30 40 CKEB CCCCCCCCCCCC(=O)/C=C\c1ccccc1 104201032 OCOPJESYLDPMTN-ZCXUNETKSA-N 286.459 6.190 30 40 CKEB CCCCCCCCCCCCCCCCC[C@H](C)N 60138539 CRTBHHWJNLQHEB-IBGZPJMESA-N 283.544 6.595 30 40 CKEB CCCCOc1ccc(C=Nc2ccc(CCC)cc2)cc1 256072195 HOVWLRKKOQRZAJ-UHFFFAOYSA-N 295.426 5.569 30 40 CKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)[nH]c1=S 48861 HOLLKUBCDKJLHL-UHFFFAOYSA-N 294.404 5.011 30 40 CKEB CCCCC#CCCCCCCCCCOCCCC 3851353 AJBQKZHWBVLBMM-UHFFFAOYSA-N 280.496 6.118 30 40 CKEB biogenic CCCCCCCCCCCCc1ccc(C(=O)O)cc1 2539188 JCHCIOJFCCQEKZ-UHFFFAOYSA-N 290.447 5.848 30 40 CKEB biogenic CCCCCCCCC1=C(CCCCCCCC(=O)O)C1 8221051 PQRKPYLNZGDCFH-UHFFFAOYSA-N 294.479 6.253 30 40 CKEB biogenic,in-vivo CCCCCCCCCCCCN1CCO[C@H](CC)C1 100923447 XZGVMGAHUKXLJT-GOSISDBHSA-N 283.500 5.018 30 40 CKEB CCCC[C@@H](/C=N/N=C/[C@H](CC)CCCC)CC 17020040 FHVPAZLVJZJLPQ-KUZLKFLESA-N 252.446 5.476 30 40 CKEB CCCCCCCCC(=O)c1ccc(Cl)cc1C 101471571 PGLUJZVMAUZMIF-UHFFFAOYSA-N 266.812 5.582 30 40 CKEB CCCCc1ccc(C#Cc2ccc(CCCC)cc2)cc1 2525461 UUVMZCQRPVPWNI-UHFFFAOYSA-N 290.450 5.772 30 40 CKEB CCCCC/C(=N\O)c1ccc(-c2ccccc2)cc1 16637720 ZGAMHFIERTVTAN-VHEBQXMUSA-N 267.372 5.112 30 40 CKEB CCCCCCC#Cc1cc(Cl)cc(Cl)c1 101734756 RRVAGNDHLSHVFM-UHFFFAOYSA-N 255.188 5.315 30 40 CKEB CCCCCCCCCC[C@H](O)c1cc(C)ccc1O 100922088 KQHXIXZSOKGQJQ-KRWDZBQOSA-N 278.436 5.265 30 40 CKEB C#CSCCCCCCCCCCCCCCCC 102962286 ASTSLEZURJZWTB-UHFFFAOYSA-N 282.537 6.792 30 40 CKEB C=C(C)C/C(=C/C(C)(C)O)[Si](C)(CCC)CCC 195817053 RDURQHGDLNWCQZ-SQFISAMPSA-N 268.517 5.088 30 40 CKEB N#CC(CCc1ccccc1)(c1ccccc1)c1ccccc1 1631150 KDKFWZRKCQMAIZ-UHFFFAOYSA-N 297.401 5.129 30 40 CKEB C=C[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)O1 3771129 IGGWKHQYMAJOHK-CVYSASLGSA-N 290.491 5.743 30 40 CKEB in-vitro CCCCCC/C=C\CCCCCCCCCC=O 59725600 YSSVMXHKWSNHLH-FPLPWBNLSA-N 266.469 6.223 30 40 CKEB in-vitro CCCCCCCCn1c2ccsc2c2sccc21 100070985 GGCJLBJHTUIOES-UHFFFAOYSA-N 291.485 6.278 30 40 CKEB in-vitro CCCCCCCCCCCCOc1ccccc1OC 104134602 AINKKTNVSUYACU-UHFFFAOYSA-N 292.463 5.995 30 40 CKEB CCOc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1 409100599 QNAFZMZUAASOFJ-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(C)c(C)c2)C1 408563094 ILQUQNBLPGJHGF-HJUDDPQBSA-N 299.458 5.405 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(C)cc1 100070161 LDOWFDQKDRZLSJ-UHFFFAOYSA-N 274.448 6.099 30 40 CKEB CCCCCCCCN(CCCCCCCC)C(N)=O 100312849 CRIIMEOFWXKQLD-UHFFFAOYSA-N 284.488 5.088 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C\C=C/c1ccccc1 104343210 WGSOFWGAEOWGGL-LIZKKHSFSA-N 279.383 5.240 30 40 CKEB Cc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2C)cc1C 44844188 JUYGIGVDCGFOGQ-MDZDMXLPSA-N 299.801 5.074 30 40 CKEB C=CCn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S 59432167 BQXMSTWWFLQUTF-UHFFFAOYSA-N 292.407 5.066 30 40 CKEB CCCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1 100301419 QYDJHALLCQLSOO-LSDHHAIUSA-N 256.430 5.057 30 40 CKEB FC(F)(F)c1ccccc1/N=C/c1ccccc1Cl 384809 XIDVYNCROPBNDS-DJKKODMXSA-N 283.680 5.109 30 40 CKEB CCCC[C@@H](CC)CC[C@@H](CC(C)C)OCCC#N 1729701 ZJVAVXYEMLQDSU-SJORKVTESA-N 267.457 5.328 30 40 CKEB CC(C)=CC(=O)c1c2ccccc2cc2ccccc12 575356849 FASQEZQMWKSWFT-UHFFFAOYSA-N 260.336 5.142 30 40 CKEB Clc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 60186 YUBHXRFJJFXFRF-CAOOACKPSA-N 284.573 5.397 30 40 CKEB CCCCCCCCC[C@H]1OCC(C)(C)[C@@H](C(C)C)O1 1674920 FCAVVOPVRVMADY-DLBZAZTESA-N 284.484 5.551 30 40 CKEB CCCCCC/C=C\C=C/CCCCCCCC(=O)O 13949537 JBYXPOFIGCOSSB-QRLRYFCNSA-N 280.452 5.885 30 40 CKEB in-vitro CCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 2569892 IOBZCOSZOOUKNS-UHFFFAOYSA-N 283.374 5.455 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(Cl)cc1 18141321 XZVDESMFBWJQAP-VXLYETTFSA-N 287.790 5.228 30 40 CKEB CCCCCCCCCCCCCCn1cc[n+](C)c1 95713666 BMKLRPQTYXVGNK-UHFFFAOYSA-N 279.492 5.014 30 40 CKEB CCCCCCCCCCCCOCCCCC(=O)O 107698213 LNINALVHKHKUFA-UHFFFAOYSA-N 286.456 5.179 30 40 CKEB C1=C(Nc2ccccc2)c2ccccc2/C1=N/c1ccccc1 2508318 GPGQXSOWUPLZDT-XTQSDGFTSA-N 296.373 5.274 30 40 CKEB CCCCCCCC[C@@H](C)CCCCCCCCC(=O)O 100091616 BEOUGZFCUMNGOU-GOSISDBHSA-N 298.511 6.579 30 40 CKEB in-man,metabolite CC(C)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59249339 MBKXHTDPOYPVFQ-RCCKNPSSSA-N 288.394 5.351 30 40 CKEB CCc1cccc(C)c1N=Cc1c(O)ccc2ccccc12 260840669 XJVCLOOVJXOQEB-UHFFFAOYSA-N 289.378 5.167 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1cc(C)ccc1C 1001765 OVSOOCHGCUBDJK-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB CCc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 51318620 GNTVMYIUWORLJA-BUHFOSPRSA-N 293.410 5.181 30 40 CKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 102941368 HTEGDVREYFGTJW-KGENOOAVSA-N 288.394 5.153 30 40 CKEB CCCCCCCCCC(=O)Nc1ccccc1C 3157288 GDPKKRBMQLERTC-UHFFFAOYSA-N 261.409 5.074 30 40 CKEB C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1ccncc1 4844171 ZUSAQNUWCOMWTR-CZPSDBATSA-N 286.338 5.248 30 40 CKEB CCCCCCCCCCCCCCN1C=CN(C)C1 100097380 FIOYZGZRZWNKTB-UHFFFAOYSA-N 280.500 5.364 30 40 CKEB CCCCCCCCCCCCCC/C=C/C(F)(F)F 103530989 UYZJNFSGFTXQSY-FOCLMDBBSA-N 292.429 7.196 30 40 CKEB CC[C@H](C)Oc1ccc(/C=N/c2ccccc2)cc1Cl 409017325 FTVMCLMLYKBXBH-HCZVKUGISA-N 287.790 5.268 30 40 CKEB C=C1C[C@H](C[C@@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 101138292 NNOLCPLJEUHKPQ-ZRSLWSEBSA-N 290.491 5.909 30 40 CKEB CCCCCCCCOc1ccc(-c2cccs2)cc1 97972247 UUJRFPDHHPDLKI-UHFFFAOYSA-N 288.456 6.154 30 40 CKEB Cc1[nH]c2c(ccc3ccccc32)c1[C@@H]1[C@H](CC#N)C1(C)C 1410319 GDRMTPNBMRUNFO-WMZOPIPTSA-N 288.394 5.283 30 40 CKEB CCCCCCCCC[C@H]1OC[C@@H](c2ccccc2)O1 1677458 JEBLFZKNRZFOMZ-ROUUACIJSA-N 276.420 5.241 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(C)s1 5795657 XLDOFYQVLPCHRI-CFBLSMTOSA-N 285.437 5.305 30 40 CKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(C)cc1C 32100546 AODFBMYTUARODV-SDNWHVSQSA-N 299.801 5.155 30 40 CKEB CCCCCCCCCCCCCCCCNCCC#N 100016098 HURZPRHLIMBWPK-UHFFFAOYSA-N 294.527 5.971 30 40 CKEB C=CCCCCCCCC[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 1615207 YPYNEVLQTMVQRM-MSOLQXFVSA-N 296.495 5.717 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(C)c1O 100922022 HAFPQCOHXKEACA-UHFFFAOYSA-N 290.447 5.804 30 40 CKEB CCCCCCCCCCCC(=O)c1cccs1 101317504 PYUCCIPSJSOPEO-UHFFFAOYSA-N 266.450 5.852 30 40 CKEB CCCCCCCCCc1ccc(OC(=O)C(C)C)cc1 1595708 QDPKLPOPIBLUBU-UHFFFAOYSA-N 290.447 5.541 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)o1 5364036 HAVGDQLNRKNKOB-BUHFOSPRSA-N 288.346 5.151 30 40 CKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc(CC)cc1 8084512 PWWQEBQISWHWHW-DEDYPNTBSA-N 299.801 5.218 30 40 CKEB CCCCCCC[N+](C)(C)CC1=CC[C@H]2C[C@H]1C2(C)C 100741710 BEURXEUMCUJWMG-ZWKOTPCHSA-N 278.504 5.026 30 40 CKEB biogenic CCCCCC/C=C\C=C/CCCCCCCC(=O)OC 101657410 KVIWYYOMPLJRMC-XESWYYRISA-N 294.479 5.973 30 40 CKEB Clc1ccccc1/C=N\c1cccc2ccccc12 104169991 PXXFNKDJMZPGMA-UNOMPAQXSA-N 265.743 5.244 30 40 CKEB CC[Si](C#Cc1c(Cl)cccc1Cl)(CC)CC 219798083 UMHZDJDQCWFMSM-UHFFFAOYSA-N 285.290 5.393 30 40 CKEB CCCCCCCCCCCC(=O)CCCCCC(=O)O 86037969 QVRRSLQNYJZXJI-UHFFFAOYSA-N 298.467 5.512 30 40 CKEB C=CCC1(N[C@H](C)c2ccccc2)CCCCCCC1 4908463 GJZMBLUKJQBDML-QGZVFWFLSA-N 271.448 5.396 30 40 CKEB O=C(/C=C/c1ccc(Cl)cc1)c1csc2ccccc12 5224843 MHHQHUHFNCVROJ-JXMROGBWSA-N 298.794 5.451 30 40 CKEB CCCCCC(=C/c1ccccc1)/C=N/Nc1ccccn1 5421777 CNNTXSNTKQVTPV-TXWVUNSISA-N 293.414 5.143 30 40 CKEB Cc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c(C)c1 6472503 RTSFTPDWEBOVKK-GIJQJNRQSA-N 293.197 5.056 30 40 CKEB CCCCCC/C=C\C=C\CCCCCCCC(=O)O 13949539 JBYXPOFIGCOSSB-UQGDGPGGSA-N 280.452 5.885 30 40 CKEB endogenous,in-man Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C)c2)cc1C 44844287 BYKXJONRGAMMEG-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB O=C(/C=C/c1c(F)cccc1Cl)c1cccc(Cl)c1 71977017 BSXPOPCYXGORCX-BQYQJAHWSA-N 295.140 5.029 30 40 CKEB CCCCCCCCCCN(CCCC)CCCC 100075157 IQSLPSKHVSSQOH-UHFFFAOYSA-N 269.517 6.029 30 40 CKEB CCCCCCCCOc1ccc(C(F)(F)F)cc1N 100475122 MXGFOINGTBUXPG-UHFFFAOYSA-N 289.341 5.027 30 40 CKEB CCCCCCCCCC(=O)c1cccc(SC)c1 101474902 LGJHKMJIVCWGSI-UHFFFAOYSA-N 278.461 5.732 30 40 CKEB Cc1ccc(/N=C\c2ccc(Cl)s2)cc1Cl 408965897 JPYJHWODXUSYGR-CHHVJCJISA-N 270.184 5.114 30 40 CKEB CCCCCCCCCSc1nc2ccccc2s1 1732091 HBRRXUWFTFCINI-UHFFFAOYSA-N 293.501 6.139 30 40 CKEB Cc1ccc(/C=C/C(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 5212466 HHIXBTDSXAQABX-VAWYXSNFSA-N 292.422 5.433 30 40 CKEB CCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)cc1 17142989 GRABOUDUOZGJLO-OLXGEXDQSA-N 284.790 5.231 30 40 CKEB C=C[C@@](C)(/C=C/c1ccc(O)c(O)c1)CCC=C(C)C 38956224 ZHKCOGVKHHAUBK-NCUBBLFSSA-N 272.388 5.050 30 40 CKEB biogenic CCCCCCCCCCC#Cc1cccc(Cl)c1C 101732913 XBQODNNUVNXUSG-UHFFFAOYSA-N 290.878 6.531 30 40 CKEB CCCCCCCCCOc1ccc(C=O)c(Cl)c1 103008799 ZXJZTUMXRTWXMP-UHFFFAOYSA-N 282.811 5.282 30 40 CKEB O=C(/C=C/c1ccc2ccccc2c1)c1cc2ccccc2o1 6341576 RXFQCMDEUNJOFE-ZRDIBKRKSA-N 298.341 5.482 30 40 CKEB Clc1ccc(/C=N\c2cc(Cl)ccc2Cl)cc1 106956370 YZFGXPUMGSPLLD-IUXPMGMMSA-N 284.573 5.397 30 40 CKEB CCCCCCCCCCn1c(CC)nc2ccccc21 50861279 HUSHPCPYFQCVJY-UHFFFAOYSA-N 286.463 5.739 30 40 CKEB CCCCCCCC/C=C/CCCCCCCCCCO 59724990 QYOZAXQSDUAPDS-MDZDMXLPSA-N 296.539 6.796 30 40 CKEB endogenous,in-man CCCCCCCCCC[N+]1(C)C[C@H]2CC=CC[C@H]2C1 104366217 QNUCBGSNQVEKFM-YOFSQIOKSA-N 278.504 5.170 30 40 CKEB CC/C=C(C)/C=C/C(=O)[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)CC 2332243383 ODKUSIVMRZWEJX-ITLQBYAMSA-N 290.447 5.056 30 40 CKEB CCc1ccccc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318619 KUSJNGYVEOSHEK-BUHFOSPRSA-N 293.410 5.181 30 40 CKEB CCCCC/C=C\C/C=C\CCCCCCCC=O 13548595 HXLZULGRVFOIDK-HZJYTTRNSA-N 264.453 5.999 30 40 CKEB biogenic,in-vitro c1ccc(SCc2ccc(N=C3CCCCC3)cc2)cc1 107887231 ZOZFOMNWPPSZIT-UHFFFAOYSA-N 295.451 6.016 30 40 CKEB C=CCCC(=O)c1cc2ccccc2c2ccccc12 575359183 XCQHRBALXHVCPU-UHFFFAOYSA-N 260.336 5.142 30 40 CKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cc(C)ccc1C 32100547 RBQLJEVBKYMYJK-SDNWHVSQSA-N 299.801 5.155 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1ccc(Cl)cc1 39372306 MDVCHPJBGXWVNH-RQZCQDPDSA-N 264.155 5.052 30 40 CKEB C#CC1(O[C@H](C)n2cccc2-c2ccccc2)CCCCC1 1083943 ULEMQPSDMBOQNC-QGZVFWFLSA-N 293.410 5.026 30 40 CKEB CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Cl 6963956 FDBOYYLXXAFCQS-YBFXNURJSA-N 287.790 5.106 30 40 CKEB c1ccc(CC[C@H]2CCCS/C2=N\c2ccccc2)cc1 16968420 NHIQXRUCYGNWBY-FTHOYRMOSA-N 295.451 5.493 30 40 CKEB c1ccc(CC[C@@H]2CCCS/C2=N\c2ccccc2)cc1 17146669 NHIQXRUCYGNWBY-SKQREZPOSA-N 295.451 5.493 30 40 CKEB CCCCCCCCCCC[C@@H]1CCC[C@@H](C)N1 30731497 AYJGABFBAYKWDX-IAGOWNOFSA-N 253.474 5.438 30 40 CKEB in-vitro C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1cccs1 104322046 GGFCRFMEXFTGCC-UNOMPAQXSA-N 275.376 5.070 30 40 CKEB CC(C)(C)[C@@H](CC(=O)/C=C/c1ccccc1)c1ccccc1 1589751 FZRMCJWOUKRDIU-JWHUVLAVSA-N 292.422 5.489 30 40 CKEB CCCCCCCCCCCCOC(=S)S 1868611 GYRLIFXJBOSGLA-UHFFFAOYSA-N 262.484 5.139 30 40 CKEB in-vitro Clc1cccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c1 4923700 YSGZRCUJNVXPRL-CAOOACKPSA-N 299.588 5.093 30 40 CKEB C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 12654209 IGGWKHQYMAJOHK-KRFUXDQASA-N 290.491 5.743 30 40 CKEB CC1=C/C(=N/[C@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 104359718 MXMBEEGCFXGYPY-IDXPQSBVSA-N 261.453 5.409 30 40 CKEB C=CCC1(Nc2cccc3ccccc23)CCCCC1 3095009 PSDMWICMKLGSLH-UHFFFAOYSA-N 265.400 5.531 30 40 CKEB CCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 101472146 BZXAWVXSGWMIOU-UHFFFAOYSA-N 273.203 5.537 30 40 CKEB Cc1ccc(C(=O)/C=C/Nc2cccc(C(C)C)c2)cc1C 51318929 DYOXSBAENMJDDF-ZHACJKMWSA-N 293.410 5.235 30 40 CKEB Cc1ccccc1/N=C(/NC1CCCCC1)c1cccs1 4129640 UTNSOJGIYIJOCQ-UHFFFAOYSA-N 298.455 5.057 30 40 CKEB Cc1ccc(C(=O)/C=C/Nc2ccc(C)c(Cl)c2)cc1C 44844224 GVDSGPYFAODWBZ-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB Cc1c(C)c(C)c(C(=O)/C=C/c2ccccc2)c(C)c1C 204958707 XXZBQCDTAMIKCC-VAWYXSNFSA-N 278.395 5.125 30 40 CKEB CCCCc1ccc(/N=C/c2ccc3ncccc3c2)cc1 12599836 SERVMXDOPIASPF-PXLXIMEGSA-N 288.394 5.328 30 40 CKEB C[C@@H]1C/C(=C\O)C(=O)c2cc3ccc4ccccc4c3cc21 104348595 BAGKRAQIMBIVKI-PKVLTRFUSA-N 288.346 5.125 30 40 CKEB Cc1cc(C)c(/N=C/c2ccc3c4c(cccc24)CC3)c(C)c1 102457093 FNNVKZQBFCIIAC-YDZHTSKRSA-N 299.417 5.614 30 40 CKEB CCCCCCCCC[C@H]1OCC(C)(C)[C@H](C(C)C)O1 1674922 FCAVVOPVRVMADY-IRXDYDNUSA-N 284.484 5.551 30 40 CKEB C=CCNc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2141073 RIZMJAJXDXTDTL-UHFFFAOYSA-N 298.455 5.456 30 40 CKEB CCCCCCCCCC[C@H](C(=O)O)c1ccccc1 3033136 ARZPLMVRBAELFW-KRWDZBQOSA-N 276.420 5.386 30 40 CKEB C=C[C@@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 4025644 KEVYVLWNCKMXJX-XUVXKRRUSA-N 296.539 6.363 30 40 CKEB CCCCCCCCC[C@@H](CO)CCCCCCC 100300716 YEGNTQBFSQBGJT-SFHVURJKSA-N 270.501 6.096 30 40 CKEB CCCCCCCCCCCCCCCCCC(=O)NC 100848420 HNUFCQUTJXHEPI-UHFFFAOYSA-N 297.527 5.994 30 40 CKEB CCCCCCCC/N=N\[C@@H](C)CCCCC(=O)OCC 104103774 YIQKDVXOIHTLMS-NXDJFEHLSA-N 298.471 5.311 30 40 CKEB Cc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 408742715 XYJVEFMKYHHGAO-KGENOOAVSA-N 294.442 5.669 30 40 CKEB Clc1ccc([S+](c2ccccc2)c2ccccc2)cc1 5018309 KFSJVNNERGJJEB-UHFFFAOYSA-N 297.830 5.435 30 40 CKEB CCC[C@H](C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C 104355320 MICHKAJGIMUFNA-PXAAABLISA-N 287.234 5.021 30 40 CKEB Cc1ccc(C(=O)/C=C/Sc2ccc(Cl)cc2)cc1 134181 ZTGPZWDTGRKIBK-ZHACJKMWSA-N 288.799 5.137 30 40 CKEB c1ccc2cc(/N=C3\Nc4cccc5cccc3c45)ccc2c1 2315851 WBVZPJXQFSRUBE-UHFFFAOYSA-N 294.357 5.497 30 40 CKEB CCCCCCCCCCCCN1C[C@@H](C)O[C@H](C)C1 43065392 SBUKOHLFHYSZNG-QZTJIDSGSA-N 283.500 5.017 30 40 CKEB in-vitro CCCCCCCC[C@H]1O[C@@H]1CCCCCCCCO 100300012 FAEAERQPRQJZOC-QZTJIDSGSA-N 284.484 5.227 30 40 CKEB O=C(/C=C\c1ccc(Cl)cc1)c1csc2ccccc12 33378899 MHHQHUHFNCVROJ-YFHOEESVSA-N 298.794 5.451 30 40 CKEB CCCCCCCCCCC[C@H](O)c1ccc(C)cc1O 100922091 OSPXETUYFADPEZ-SFHVURJKSA-N 292.463 5.655 30 40 CKEB O=C(/C=C\C=C/c1ccccc1)/C=C/C=C/c1ccccc1 6095591 RLJALOQFYHCJKG-NTQRQGTMSA-N 286.374 5.095 30 40 CKEB CC(C)(C)[C@H](CC(=O)/C=C/c1ccccc1)c1ccccc1 1589753 FZRMCJWOUKRDIU-DAMWEWLOSA-N 292.422 5.489 30 40 CKEB Cc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 1594494 YHHNXMTTWKAUEQ-UHFFFAOYSA-N 283.374 5.428 30 40 CKEB biogenic CCCCCCCCSC1=NC(C)(C)C[C@@H](C)O1 1760847 IURLXHZEKWMZRC-CYBMUJFWSA-N 271.470 5.024 30 40 CKEB CCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525567 GYYDJQOVDQUWPI-UHFFFAOYSA-N 282.243 5.570 30 40 CKEB COc1ccc(/C=N/c2ccc(C)c(F)c2)c2ccccc12 95378 LQLWSRQYISNXJZ-CIAFOILYSA-N 293.341 5.047 30 40 CKEB CCCCCCCCCCCCc1ccc(C#N)c(C#N)c1 2556816 DTEFBFYHAVVRLC-UHFFFAOYSA-N 296.458 5.893 30 40 CKEB C=C(CCC=C(C)C)[C@H]1CC[C@@H](C)O[C@H]1c1ccccc1 4024925 USDNJLFMSOKPKT-RLLQIKCJSA-N 284.443 5.845 30 40 CKEB CCCCCCCCn1c(CCC)nc2ccccc21 50861290 KBHMURIYTOPYIS-UHFFFAOYSA-N 272.436 5.349 30 40 CKEB CCCCCCCCCCCCC#CC#CCCCCO 95698146 UIMRCKQWEYSALX-UHFFFAOYSA-N 290.491 5.467 30 40 CKEB CCCCCCCC/C=C\C/C=C\CCCCC(=O)O 59206236 ZMKDEQUXYDZSNN-UTJQPWESSA-N 280.452 5.885 30 40 CKEB in-vitro CCCCCCOc1ccc(/C(CCCC)=N/O)cc1 5462878 YDQGTVPSCBGYBO-ISLYRVAYSA-N 277.408 5.014 30 40 CKEB CCCCCCCCCCCCC[C@@H]1C=CC(=O)O1 68562463 VXYITLXRBYCEBM-MRXNPFEDSA-N 266.425 5.169 30 40 CKEB CC[C@]1(C)CCC2=C1CC[C@H]1[C@@H]2CCC2=CC(=O)CC[C@@H]21 263598516 HYLSPEVBFQROOR-PFRQMTDMSA-N 284.443 5.219 30 40 CKEB Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 5745328 NCYHBXHINBUZDJ-MDZDMXLPSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCC[S@@](=O)CCCC 98001686 WWHDZGPCPHUBFI-GOSISDBHSA-N 274.514 5.456 30 40 CKEB CCCOc1cccc(/C=N\c2cccc(Cl)c2C)c1 409201948 PBTCRQYWYXSOPF-UNOMPAQXSA-N 287.790 5.188 30 40 CKEB C=C[C@@](C)(O)C[C@@H](C)CCCCC[C@H](C)CCCC(C)C 4285755 IOLVAUYSSNEWQQ-SLFFLAALSA-N 296.539 6.363 30 40 CKEB O=C(/C=C/c1cccnc1)c1ccc(C2CCCCC2)cc1 7586939 YVWSJQBXLWYOIW-MDWZMJQESA-N 291.394 5.025 30 40 CKEB CCCCOc1ccc(C=Nc2ccc(CC)cc2)cc1 256071220 AUVREZVTBBIYLI-UHFFFAOYSA-N 281.399 5.179 30 40 CKEB CC(C)(C)C(=O)/C=C\c1ccc(Oc2ccccc2)cc1 13139331 OMBNYCIRAPPYPB-KAMYIIQDSA-N 280.367 5.107 30 40 CKEB Cc1ccc([C@@H](C)CCC(=O)/C=C\c2ccccc2)cc1 13404708 CEMDYGVWFNPYCB-HKBKRHGFSA-N 278.395 5.161 30 40 CKEB CCCCCCCCCCCCCC[n+]1ccccc1 59171283 SIHFYNZIBKOFFK-UHFFFAOYSA-N 276.488 5.675 30 40 CKEB CCCCCCCc1cccc2oc(-c3ccccc3)cc12 100051134 QWKWVDGYNKZUKP-UHFFFAOYSA-N 292.422 6.613 30 40 CKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)ccc1O 568673 FTYHQKVJHKIWQN-MKFNJMOCSA-N 287.790 5.310 30 40 CKEB CCCCCCCCCCC[C@H]1OCC[C@H](C)O1 1679867 MXKDOMWUEBTZDD-HOTGVXAUSA-N 256.430 5.059 30 40 CKEB CCCCCCCCCC1=C(O)[C@@H]2CCCC[C@@H]2C1=O 100238474 WBXOMRRYQRUZHJ-CABCVRRESA-N 278.436 5.328 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C/C=C\c1ccccc1 17287812 WGSOFWGAEOWGGL-HLLJFSTMSA-N 279.383 5.240 30 40 CKEB C=CC(=C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 28541004 NIDGCIPAMWNKOA-WOJBJXKFSA-N 278.524 7.168 30 40 CKEB biogenic,in-vitro C[C@@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 104202221 YKSJJIVIUQUODD-MRJHHRETSA-N 298.389 5.148 30 40 CKEB COc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409215647 CUXPOMYITFZJME-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB C(CCCCCCC[C@@H]1CO1)CCCCCC[C@@H]1CO1 4723037 WSOIAYXUPXLABQ-QZTJIDSGSA-N 282.468 5.245 30 40 CKEB N#C[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 4015770 DFXWCQCJIMWRNI-FQEVSTJZSA-N 269.347 5.009 30 40 CKEB CCCCCCCCCCCCCCCC[C@H](O)CN 100235200 GVERIJPZBUHJMT-SFHVURJKSA-N 285.516 5.177 30 40 CKEB CCCCCCCCCCC#Cc1ccc(F)c(F)c1 101733303 WZDQHNBFEIAWSY-UHFFFAOYSA-N 278.386 5.847 30 40 CKEB C/C=C\C=C/C(=O)OCCCCCCCCCCCC 104345898 SUWOMTFOTLRLNL-MCTDKYETSA-N 280.452 5.583 30 40 CKEB CCCCCCCCCCCCC[n+]1cccc(C#N)c1 1723786 WJHCSOSMZAIGCS-UHFFFAOYSA-N 287.471 5.157 30 40 CKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccccc2Cl)cc1 51318673 YCCPKIZTDQEMGP-VAWYXSNFSA-N 299.801 5.272 30 40 CKEB CCCCCCCCCCC#Cc1ccc(Cl)cc1C 101735405 XVRJISMFJHYNOM-UHFFFAOYSA-N 290.878 6.531 30 40 CKEB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](S)CC[C@]3(C)[C@H]1CC2 4775611 QLLFFHIRARHPDL-DYKIIFRCSA-N 290.516 5.638 30 40 CKEB [N-]=[N+]=Nc1ccnc2ccc(C3CCCCC3)cc12 16942210 ZZUWGLJGLLMMQQ-UHFFFAOYSA-N 252.321 5.224 30 40 CKEB CCCCCC(/C=N/Nc1ccccn1)=C\c1ccccc1 17014907 CNNTXSNTKQVTPV-XCFXSZPASA-N 293.414 5.143 30 40 CKEB CCCCN1c2cc(Cl)c(C#N)cc2C(C)=CC1(C)C 223792397 MWLFZUVCRXBSIO-UHFFFAOYSA-N 288.822 5.014 30 40 CKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccco3)c2C)cc1 408752373 DXFOMTVCJRIYOW-DEDYPNTBSA-N 292.382 5.000 30 40 CKEB CCCCCCCCCCN1C[C@H]2CCCC[C@@H]2C1 1676245 IUGJCMRSMFVGHE-QZTJIDSGSA-N 265.485 5.249 30 40 CKEB CCCCCCCCCOc1ccc2ccccc2c1 1729193 RUVHOFDSJRUTOZ-UHFFFAOYSA-N 270.416 5.969 30 40 CKEB CC/C=C\C/C=C\C/C=C\CCCCCCCC=O 13549812 TUCMDDWTBVMRTP-PDBXOOCHSA-N 262.437 5.775 30 40 CKEB C=C(Br)CCc1ccc(-c2ccccc2)cc1 952958830 USTGXEFHPLEIMH-UHFFFAOYSA-N 287.200 5.195 30 40 CKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(C(C)C)cc2)c1 44844343 OVNNQUDXPNYZMR-VAWYXSNFSA-N 293.410 5.235 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1ccc(Cl)cc1Cl 59513921 XCSWQWZPHASCFT-QGMBQPNBSA-N 298.600 5.706 30 40 CKEB CC/C(=N/O)c1ccc2c(c1)cc(Cl)c1ccccc12 95851162 ZPICMZXTKCKZNV-ZPHPHTNESA-N 283.758 5.235 30 40 CKEB CCCCCCCCCCCC(=O)c1cc(C)ccc1O 100934022 JWYSOBDZFJWELQ-UHFFFAOYSA-N 290.447 5.804 30 40 CKEB CCCCCCCCC(=O)c1cc(C)cc(F)c1 101473728 WQJFDTDHPZNHAI-UHFFFAOYSA-N 250.357 5.067 30 40 CKEB C=C(C)COCc1ccc(C(C)(C)CC(C)(C)C)cc1 1600796 BMCPFMNXOKXROW-UHFFFAOYSA-N 274.448 5.493 30 40 CKEB C/C(=N\OCc1ccccc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 12351010 HAHCRHHAOGMQGR-WLWPOCPESA-N 299.801 5.036 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C/C=C/c1ccccc1 17287816 WGSOFWGAEOWGGL-OZNFINNBSA-N 279.383 5.240 30 40 CKEB C=C[Si](C)(CCCCCCCC)CCCCCCCC 226257398 ZSFJYRSLGGXMBS-UHFFFAOYSA-N 296.615 7.511 30 40 CKEB C[C@]12CC[C@@H](C#N)C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 3843615 KLNWLDZOCLFNHL-MCBVBLDDSA-N 285.475 5.559 30 40 CKEB CCCCCCCCCCCCCCCCCC(C)=O 62234010 IEDKVDCIEARIIU-UHFFFAOYSA-N 282.512 6.837 30 40 CKEB in-vitro CCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(C)c1 409095262 BQGDIIMRXNIVKS-YBFXNURJSA-N 287.790 5.106 30 40 CKEB Cc1ccc(/C=N/Nc2ccccc2-c2ccccc2)cc1 4072991 CXVAOOVERVDMFZ-RCCKNPSSSA-N 286.378 5.108 30 40 CKEB C(=N/C12CC3CC(CC(C3)C1)C2)\C12CC3CC(CC(C3)C1)C2 5566576 NNHPCFIHRCJBMO-LPYMAVHISA-N 297.486 5.242 30 40 CKEB CCCCCCC[C@H](CCCCC)C(=O)OCC 100295509 QPMKKOWLFUFCBR-HNNXBMFYSA-N 256.430 5.107 30 40 CKEB C=CC[N+](CC)(CC)CCCCCCCCCCCC 100897904 QEQIXFUGTAYQSZ-UHFFFAOYSA-N 282.536 5.950 30 40 CKEB CCCCCCCCCCC#Cc1ccc(OCC)cc1 101733572 NEXOPHQOQGTQAL-UHFFFAOYSA-N 286.459 5.968 30 40 CKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1 409096451 FSGRRYOOZAPQAC-ZDLGFXPLSA-N 294.181 5.143 30 40 CKEB C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@H]2CC1 85602366 ATQOOBSXQVRQPY-VDWQKOAOSA-N 288.475 5.112 30 40 CKEB biogenic CCCCCCCCCCCCCCCC/C=C/O 100120104 JEGNXMUWVCVSSQ-ISLYRVAYSA-N 268.485 6.930 30 40 CKEB CCCCCCCCC/C=C\CCCCC(=O)OC 100501218 QRUFCUPDPRSOKI-QXMHVHEDSA-N 268.441 5.417 30 40 CKEB C/C(=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100357615 JCLHZOCYZUYOCS-KHPPLWFESA-N 291.177 5.280 30 40 CKEB Clc1cc(Cl)c(N/N=C\c2ccccc2)c(Cl)c1 31647472 VOVHIQWFBPFFMA-IUXPMGMMSA-N 299.588 5.093 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccccc1 2097556 USDNJLFMSOKPKT-HOJAQTOUSA-N 284.443 5.845 30 40 CKEB biogenic S/C(=N/c1ccccc1)SCc1ccc(Cl)cc1 6514429 KVZAZUVADQHIKW-UHFFFAOYSA-N 293.844 5.191 30 40 CKEB CC[C@@H](/C=N/C(C)(C)C)[P+](C)(C(C)C)C(C)C 20840915 XAGVEKQZPZUCHZ-LUYJPIOASA-N 258.410 5.099 30 40 CKEB C/C=C/C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 217881728 LOZOYQCMNCPPAA-CMDGGOBGSA-N 272.432 5.816 30 40 CKEB C=CCCCCCCCCC(=O)Nc1ccccc1F 6761166 VLYRJUUPMKEFJX-UHFFFAOYSA-N 277.383 5.071 30 40 CKEB CCCCCCCC#Cc1ccc(C(C)(C)C)cc1 101732805 MKHNVDAAMTVHMW-UHFFFAOYSA-N 256.433 5.696 30 40 CKEB CCCCN1c2cc(Cl)c(C#N)cc2[C@H](C)CC1(C)C 260719717 LVEVTKJECAUSTH-GFCCVEGCSA-N 290.838 5.104 30 40 CKEB CCCCCCCCCc1ccc(OC(=O)CCC)cc1 1693253 LXBRPQPBYQVGAN-UHFFFAOYSA-N 290.447 5.685 30 40 CKEB C=C(CCC=C(C)C)[C@H]1CC(C)(C)CO[C@H]1c1ccccc1 2105983 QJMJQQKEWWQJQY-UXHICEINSA-N 298.470 6.093 30 40 CKEB biogenic C=C1C[C@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@H]1C3 1530342 ONVABDHFQKWOSV-NDLGOLERSA-N 272.476 5.975 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCCCC(F)(F)F 103525982 RISHHZSNCFJFKQ-UHFFFAOYSA-N 266.391 6.640 30 40 CKEB C=C(C)C/C(=C/C(C)(C)OC)[Si](C)(CCC)CCC 195820229 NPLPDSXZHJYTAR-PEZBUJJGSA-N 282.544 5.742 30 40 CKEB CCCCCCC(/C=C/c1ccccc1Cl)=N/O 104187836 VFGRQGQSCTYMFC-VPJURZAQSA-N 265.784 5.154 30 40 CKEB C[C@@H]1C/C(=C/O)C(=O)c2cc3ccc4ccccc4c3cc21 104348602 BAGKRAQIMBIVKI-QJMZJAKPSA-N 288.346 5.125 30 40 CKEB CCCCCCCC1CCC(c2ccc(O)cc2)CC1 59608448 LQNATOSZMJPGNE-UHFFFAOYSA-N 274.448 6.027 30 40 CKEB Cc1ccc(/N=C/c2cc(C)n(C3CCCC3)c2C)cc1 3187617 DTNTWSHEBRXBJT-DEDYPNTBSA-N 280.415 5.279 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2)C1 408562872 GAGCZRFYBLZXIB-QJPKHSJYSA-N 285.431 5.096 30 40 CKEB C=C[C@@](C)(O)C[C@H](C)CCCCC[C@H](C)CCCC(C)C 4285751 IOLVAUYSSNEWQQ-XUVXKRRUSA-N 296.539 6.363 30 40 CKEB O=C1/C(=C/c2cccs2)CCC/C1=C\c1cccs1 4481936 KHXBULXCCPIELT-DCIPZJNNSA-N 286.421 5.030 30 40 CKEB world CCCCCCCCCCCCCCC[C@H](C)O 100066526 ZNYQHFLBAPNPRC-KRWDZBQOSA-N 256.474 5.849 30 40 CKEB CCCCCCCN(CCCC)CCCCCCC 103014741 WXGWZQOEPRJHDB-UHFFFAOYSA-N 269.517 6.029 30 40 CKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/O 118919622 XPZHAZFQUFNMAU-HNOINMFASA-N 289.463 5.249 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1cccc2ccccc12 139324151 ZISJUKTXARYGKM-UDWIEESQSA-N 279.770 5.552 30 40 CKEB CCCCCCCCCOc1ccc(C=O)cc1Cl 100650053 ROBCFLWEVJAUAO-UHFFFAOYSA-N 282.811 5.282 30 40 CKEB CCCCCCCCCCC[C@H]1CCCC(=O)O1 85925495 ZMJKQSSFLIFELJ-HNNXBMFYSA-N 254.414 5.003 30 40 CKEB CC(C)CCC[C@H](C)CC1=C(O)[C@@H]2CCCC[C@@H]2C1=O 100238397 XJNQZMDASJMLKT-ZNMIVQPWSA-N 278.436 5.040 30 40 CKEB CCCCCCCOc1ccc(-c2ccccc2)cc1 2569861 FFCPQKNZRRQMIN-UHFFFAOYSA-N 268.400 5.703 30 40 CKEB Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 71976949 VCEUERRLXFWMQM-RMKNXTFCSA-N 291.177 5.198 30 40 CKEB Cc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1 1229199 AUQRFGZUQGANDI-RCCKNPSSSA-N 286.378 5.489 30 40 CKEB CCCCCC[P+](CCCC)(CCCC)CCCC 60272549 VTFBDXOWNVTUKP-UHFFFAOYSA-N 287.492 6.985 30 40 CKEB CCCCCCCSc1nc2ccccc2s1 1732080 YAPCOOZZOPRYLM-UHFFFAOYSA-N 265.447 5.359 30 40 CKEB CCCCCCCCCCCCC(Cl)(Cl)C=O 2385758 RNIWSOXRCLEXPV-UHFFFAOYSA-N 281.267 5.670 30 40 CKEB CCCOc1ccc(Cl)cc1/C=N/c1ccccc1C 6941678 RFCWFZUUIVBRMB-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB COc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl 8371754 MGCCOLBRRMGRMX-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB CCCCCCCCC#CCCCCCCCC(=O)O 8221125 RGTIBVZDHOMOKC-UHFFFAOYSA-N 280.452 5.556 30 40 CKEB biogenic,in-vivo CCCCCCCCCCCCCCOC(=O)N(C)C 100310522 OOEOLVFMXNIICA-UHFFFAOYSA-N 285.472 5.386 30 40 CKEB COc1c(/C=N/c2ccc(C)cc2C)sc2ccccc12 502333 ZYZHQESQOHVNPX-YBFXNURJSA-N 295.407 5.277 30 40 CKEB C(=C/c1ccccc1)\C=N\CC1(c2ccccc2)CCCC1 4837746 PAPMFZOXJYAVCX-ULICSTANSA-N 289.422 5.283 30 40 CKEB N#C[C@@H](c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 39395185 KBSXVPILOCGMDH-NSHDSACASA-N 296.584 5.302 30 40 CKEB in-vitro Cc1cc(C(=O)/C=C/c2ccccc2Cl)ccc1Cl 4276751 KHTCICUOYGSQNH-VQHVLOKHSA-N 291.177 5.198 30 40 CKEB CCCCCCCC[C@@H]1O[C@H]1CCCCC(C)C 2090403 QVIBKECDBFIZNV-IRXDYDNUSA-N 254.458 5.721 30 40 CKEB biogenic Cc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1Cl 5218717 XELYDKHKRIEEAL-VQHVLOKHSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCC#Cc1ccc(F)c(C)c1 101733953 XDBPYKLSCWNXNV-UHFFFAOYSA-N 274.423 6.016 30 40 CKEB CCCCCCCCCCN1C[C@@H]2CC=CC[C@H]2C1 1682912 OPIUBYGPOHBWMU-ROUUACIJSA-N 263.469 5.025 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1CCC[C@@H]2C(C)(C)CCC[C@]12C 5499673 VVUVZVUAPNPEDQ-PSBWJHGTSA-N 278.480 5.336 30 40 CKEB Oc1ccc2ccccc2c1/C=N/c1ccc(F)c(Cl)c1 32101497 LQTFTYRUIIQDBU-KEBDBYFISA-N 299.732 5.089 30 40 CKEB CCOc1ccc(/N=C\c2ccc(C(C)(C)C)cc2)cc1 58883384 LOUZKPVPCBGTLA-ZHZULCJRSA-N 281.399 5.133 30 40 CKEB CCCCCCCCCC(=O)c1ccc(F)c(C)c1 101473951 IWPNTSAEXFGZGC-UHFFFAOYSA-N 264.384 5.458 30 40 CKEB CCCCCCCCCCCCP(=O)(OC)OC 136819554 RPFRYQDHUIHAFC-UHFFFAOYSA-N 278.373 5.393 30 40 CKEB CCCCCCCC(=O)Nc1cccc(Cl)c1Cl 3190756 STCHGNLCVFNHFZ-UHFFFAOYSA-N 288.218 5.292 30 40 CKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 71977063 ZLQKJBORJBIHGQ-FPYGCLRLSA-N 295.140 5.029 30 40 CKEB Oc1c(/C=N\c2ccc(F)c(Cl)c2)ccc2ccccc12 100248502 OOXYMJXESMOHRJ-JMIUGGIZSA-N 299.732 5.089 30 40 CKEB CC(/C=C(/O)c1ccc(Cl)cc1)=N\c1ccc(C)cc1 101161148 QXFQUVWMGFDEOO-IIIPZEARSA-N 285.774 5.340 30 40 CKEB CCCCCCCCC/C=C\CCCCCCC(=O)O 100500391 WRIDQFICGBMAFQ-KHPPLWFESA-N 282.468 6.109 30 40 CKEB Cc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409016352 TYJAUDTXUUCEQY-UDWIEESQSA-N 279.314 5.145 30 40 CKEB C(=N\c1ccccc1)\c1ccc(/C=N/c2ccccc2)cc1 17719773 XYMUFEVKENAHFB-KBNZVFGVSA-N 284.362 5.188 30 40 CKEB CCCCCCCCCCCCC(=O)N(CCC)CCC 104156474 XWPCDOAXNPGPAC-UHFFFAOYSA-N 297.527 5.946 30 40 CKEB CCCCCCCCCCC/C=C\C(F)(F)F 575330111 AJOKZXDKYZOMOS-SEYXRHQNSA-N 250.348 6.026 30 40 CKEB CCCCCCCCCCCCCCCCCCCC=O 59725627 FWBUWJHWAKTPHI-UHFFFAOYSA-N 296.539 7.227 30 40 CKEB in-vitro Cc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1C 6340748 FRMWGAGDWHMRJC-XYOKQWHBSA-N 278.395 5.323 30 40 CKEB CCCCCCCCCC(=O)c1ccc(Cl)c(C)c1 101471673 PFPDXTFNIJVZTE-UHFFFAOYSA-N 280.839 5.972 30 40 CKEB CCCCCCCC(=O)/C=C\c1ccc(OCC)cc1 100286335 DSXNLFWEQCWBMF-RAXLEYEMSA-N 274.404 5.028 30 40 CKEB CCCCCCCCCC(=O)c1cccc(Cl)c1C 101471374 MQUGAJZWABDMPG-UHFFFAOYSA-N 280.839 5.972 30 40 CKEB c1ccc(C(=NN=C2CCCCCC2)c2ccccc2)cc1 4929228 JXZUOCZKSJPAQG-UHFFFAOYSA-N 290.410 5.234 30 40 CKEB CCCCCCCCCC(=O)c1ccc(C(C)(C)C)cc1 101470854 VJWHDISDNQINOQ-UHFFFAOYSA-N 288.475 6.308 30 40 CKEB Cc1cc(C)c(N/C=C/C(=O)c2ccc(C)c(C)c2)c(C)c1 44843839 CPAKFACXXYGRHN-CMDGGOBGSA-N 293.410 5.037 30 40 CKEB Cc1ccc(/C(O)=C/C=N/c2cc(Cl)ccc2C)cc1 100033036 ZSSLKGXGHYAPJQ-QUBPRYNHSA-N 285.774 5.258 30 40 CKEB CCCCCCCCCCCCCCCCn1cncn1 100930803 BONYROGCHPWFRU-UHFFFAOYSA-N 293.499 5.759 30 40 CKEB CCCCCCCCCC(=O)N(CCCC)CCCC 104158087 OHHXJNYDGVLRSQ-UHFFFAOYSA-N 283.500 5.556 30 40 CKEB CCCCCCCCC[C@H]1OC[C@H](c2ccccc2)O1 1677460 JEBLFZKNRZFOMZ-MSOLQXFVSA-N 276.420 5.241 30 40 CKEB Cc1ccc(C(=O)/C=C\c2cccc3ccccc23)c(C)c1 33373926 DECBTVONJIWPOE-QBFSEMIESA-N 286.374 5.353 30 40 CKEB Cc1cc(/C=N/c2ccccc2O)c(C)n1C1CCCCC1 408740260 JQEOUWFHKFGXEA-DEDYPNTBSA-N 296.414 5.066 30 40 CKEB Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 4920888 VBMZVDQEBNUHOM-LTGZKZEYSA-N 286.378 5.167 30 40 CKEB Cc1ccc(/N=C2\CCCC[C@@H]2Nc2ccc(C)cc2)cc1 18042767 MDKCLFSIQHQHBS-QGWGWZPUSA-N 292.426 5.431 30 40 CKEB O=C(/C=C/C=C/c1ccccc1)c1ccc2ccccc2c1 1651049 KPPOVOMNCMSREF-GODDPXKCSA-N 284.358 5.292 30 40 CKEB CCCCCCCC/C=C\CCCCCCCCCCO 85431679 QYOZAXQSDUAPDS-KTKRTIGZSA-N 296.539 6.796 30 40 CKEB in-vitro CCCCCCCCCC(C)(O)CCCCCCCCC 103626437 BTFNSSWQSTYKHB-UHFFFAOYSA-N 298.555 7.019 30 40 CKEB C(=C\c1ccccc1)\C=N\c1ccc2c(c1)Cc1ccccc1-2 13703862 KNNZYQMTSPFAGR-NPFPINIASA-N 295.385 5.674 30 40 CKEB in-vitro Cc1ccccc1C(=O)/C=C\c1ccc(Cl)cc1Cl 33378724 XELYDKHKRIEEAL-CLFYSBASSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCCCC(C)(C)S 2584427 ZJCZFAAXZODMQT-UHFFFAOYSA-N 258.515 6.396 30 40 CKEB biogenic Cc1cccc(N/C(S)=N\c2cccc3ccccc23)c1 3296806 OACYRDDHQHRQLQ-UHFFFAOYSA-N 292.407 5.178 30 40 CKEB Cc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 33373928 MYILNVXHHYPGRV-JYRVWZFOSA-N 264.368 5.015 30 40 CKEB CCCCCCCC(=O)Oc1cccc2ccccc12 2568067 SUAOWWVNMRJABO-UHFFFAOYSA-N 270.372 5.106 30 40 CKEB C=CCNc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3326500 HLKDGFYLKAKXMD-UHFFFAOYSA-N 292.407 5.075 30 40 CKEB CCCCCCCCCC/C(=N\O)c1ccc(C)cc1O 100922061 FEFVCNHYJCBPMX-HTXNQAPBSA-N 291.435 5.410 30 40 CKEB CCCCCCCCCCC#Cc1ccc(N(C)C)cc1 101734852 DCMOVWJHUWCAFH-UHFFFAOYSA-N 285.475 5.635 30 40 CKEB C=C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 104878293 IGGWKHQYMAJOHK-LERVOYGESA-N 290.491 5.743 30 40 CKEB biogenic CCCCCCCCNc1ccc(OCCCC)cc1 100032889 TZCAEBBTWZJCDS-UHFFFAOYSA-N 277.452 5.638 30 40 CKEB CCCCCCCCCCc1ccc2cccc(O)c2n1 100935854 GSUYCGQACOLZIZ-UHFFFAOYSA-N 285.431 5.624 30 40 CKEB CCCCCCCCN(CCCCCCCC)CC(=O)O 104366529 HVSYQIIFVJACKZ-UHFFFAOYSA-N 299.499 5.094 30 40 CKEB CCCCCCCCCCCC[C@@H](C)C[C@H](CN)N(C)C 228970296 OGKFOZYEYIRZNK-RTBURBONSA-N 298.559 5.213 30 40 CKEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1cccc(Cl)c1 408759682 JNEBSCAQLUPREI-YBFXNURJSA-N 298.773 5.091 30 40 CKEB CCCCCCCCCC[N+]1([O-])CCCCCC1 1565885 BXVGYCNGQXKKLB-UHFFFAOYSA-N 255.446 5.016 30 40 CKEB CCc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2C)cc1 17087104 CEAWJXNHLOENSU-ZHACJKMWSA-N 299.801 5.019 30 40 CKEB CC(C)(C)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1 33377932 AANFUZOELSUEMW-VKAVYKQESA-N 290.406 5.197 30 40 CKEB Fc1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408842732 CHXYFAOLSLUJTM-NDENLUEZSA-N 298.748 5.020 30 40 CKEB C=CCCC(=O)c1sc2ccc(Cl)cc2c1C 575362303 SXJQLAIYNRIDGB-UHFFFAOYSA-N 264.777 5.012 30 40 CKEB CCCCCCCCCCOc1ccc(C(C)=O)c(F)c1 2512485 SGTCQYRBFYAPGF-UHFFFAOYSA-N 294.410 5.548 30 40 CKEB Cc1c(F)cccc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318749 ZKADDGLVDHQKHY-VAWYXSNFSA-N 297.373 5.066 30 40 CKEB CCCCCCCC(=O)c1cc(Cl)ccc1C 101471786 OVMRLWZPIRSPPV-UHFFFAOYSA-N 252.785 5.192 30 40 CKEB CCCCCCCCCCC[C@H](N)c1ccccc1 1593758 DEJJVDGDQBHRBM-SFHVURJKSA-N 261.453 5.607 30 40 CKEB CCC[C@](C#N)(c1ccccc1)[C@H](C)c1ccccc1 1685695 REAODULDQASWNS-VQIMIIECSA-N 263.384 5.052 30 40 CKEB CCCCCCCCCC(=O)Nc1cc(C)ccc1C 2061905 LOOZIAJNZRJFFD-UHFFFAOYSA-N 275.436 5.383 30 40 CKEB Cc1csc2sc(C(=O)/C=C\c3ccccc3)c(C)c12 33374257 LUCRSYIJHNSIMP-HJWRWDBZSA-N 298.432 5.476 30 40 CKEB Cc1ccc(F)cc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318709 MZMKXQDPJIMORS-ZHACJKMWSA-N 297.373 5.066 30 40 CKEB C=CCCC/C=C/CN(C/C=C/CCCC=C)CCC 5421742 GFYLQHFARBBYSJ-WXUKJITCSA-N 275.480 5.523 30 40 CKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 6707417 VGZWTJWGEQZYSS-DZUMZMOTSA-N 281.399 5.273 30 40 CKEB CCCCCCCCCCCC/C=C/CC(=O)O 100303853 PCBKWKNYISJGPJ-BUHFOSPRSA-N 254.414 5.328 30 40 CKEB CCCCC[C@H](CSCC)C(=O)/C=C/c1ccccc1 1573415 WUSCEWCYPXVUFP-TUQDCPSNSA-N 290.472 5.219 30 40 CKEB CCCCCCCCCCCCNc1ccc(Cl)cc1 1706801 DYKOUKHWPJERIK-UHFFFAOYSA-N 295.898 6.673 30 40 CKEB CCCCCCCCCCCCCCNCC[C@H](C)O 59660583 UGXJCRVJODURNQ-SFHVURJKSA-N 285.516 5.048 30 40 CKEB C(=C/c1ccccc1)\C=N\c1ccc2c(c1)Cc1ccccc1-2 100136019 KNNZYQMTSPFAGR-SKRBABGKSA-N 295.385 5.674 30 40 CKEB in-vitro CCCCCCCCCC/C(=N/O)c1ccc(OC)cc1 100925734 QVYRHFJFGZAMRZ-HNENSFHCSA-N 291.435 5.404 30 40 CKEB CCCCCCCC#Cc1cc(F)cc(Cl)c1 101735289 SQUSSJJSGJHNKE-UHFFFAOYSA-N 252.760 5.191 30 40 CKEB CCCCCCCCCCCC(=O)OC/C=C/Cl 97943448 YUEYUHPIRQCQLL-ACCUITESSA-N 274.832 5.203 30 40 CKEB CCCCCCCN[C@H](C)c1ccc(Br)cc1 103985416 DIVNEABEPNDXJM-CYBMUJFWSA-N 298.268 5.070 30 40 CKEB CCCCCCCCCC1CCC(C(=O)O)CC1 1673946 ZSIQDVRFEYRRQX-UHFFFAOYSA-N 254.414 5.018 30 40 CKEB CCCCCCCCCCCC[N+]1(CC)[C@@H](C)CC[C@H]1C 104177234 PKZAAFWCLLOMHG-WCRBZPEASA-N 296.563 6.315 30 40 CKEB CCCCCCCCn1c2ccccc2c2ccccc21 2539136 SCDJSEFDVDOKPA-UHFFFAOYSA-N 279.427 6.155 30 40 CKEB CCc1cccc(C)c1N=Cc1ccc2ccccc2c1O 254757004 RQEQUWFFBJUOAI-UHFFFAOYSA-N 289.378 5.167 30 40 CKEB N#Cc1c2ccccc2cc2c1ccc1ccccc12 1593360 XIOJYHPTSOMRDI-UHFFFAOYSA-N 253.304 5.018 30 40 CKEB C=CCC(c1ccccc1)(c1ccccc1)c1ccccc1 49959302 HFHRSBKYURPWRU-UHFFFAOYSA-N 284.402 5.597 30 40 CKEB CCCCCCCC(=O)c1ccc(Cl)cc1C 101471570 QAPNVVYXAZYRJF-UHFFFAOYSA-N 252.785 5.192 30 40 CKEB CCCCCCCCCc1cc[nH]c1-c1ccccc1 103009018 KDTKEHDTSVJRHE-UHFFFAOYSA-N 269.432 5.975 30 40 CKEB Cc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)s1 95756 CZAVHZHPZCPFJY-CPNJWEJPSA-N 293.391 5.599 30 40 CKEB CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Cl 8084651 XBRJUXWCJACGIO-XDHOZWIPSA-N 287.790 5.052 30 40 CKEB CCCCCCCCCCSc1ccc(C(C)=O)cc1 1952799 ZEYSJQQAYIAZBV-UHFFFAOYSA-N 292.488 6.122 30 40 CKEB Cc1ccc(Cl)cc1N=Cc1ccc2ccccc2c1O 260840672 XPRDZGRLCKHXQD-UHFFFAOYSA-N 295.769 5.258 30 40 CKEB CCCCCCCCC[C@H](CO)CCCCCCC 100300713 YEGNTQBFSQBGJT-GOSISDBHSA-N 270.501 6.096 30 40 CKEB CCCCCCCCCCCCCOC(=O)CCS 100050671 MJNLAPRQQJZBQN-UHFFFAOYSA-N 288.497 5.161 30 40 CKEB CCCCCCCCc1c(Cl)nc(Cl)nc1Cl 100299342 NLLAUDBADWNBAE-UHFFFAOYSA-N 295.641 5.340 30 40 CKEB CCCCCCCC(=O)c1ccc(OC(C)(C)C)cc1 101470596 KLXXYYUNTYRAGU-UHFFFAOYSA-N 276.420 5.407 30 40 CKEB CCCC[P+](CCCC)(CCCC)CC(C)(C)C 140759773 XKYSQUMKOFGTID-UHFFFAOYSA-N 273.465 6.450 30 40 CKEB Cc1cc(O)c(/C=N/c2ccccc2Cl)c(C)c1Cl 226418 RMSAFAOBQMLTDD-QGMBQPNBSA-N 294.181 5.066 30 40 CKEB CCCCCCCc1ccc(C(=O)Cc2ccccc2)cc1 575357323 BZESXUFNCSBUIG-UHFFFAOYSA-N 294.438 5.625 30 40 CKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C#N 3898587 KSODEYYYINEFHT-SLFFLAALSA-N 281.443 5.344 30 40 CKEB CCCCCCCCOc1cccc(Br)c1 59089353 KSOKLYDSCBZFBE-UHFFFAOYSA-N 285.225 5.188 30 40 CKEB CCCCCCCCC(=O)c1cc(Cl)ccc1OC 101471256 HJFFGXIOJVSSMC-UHFFFAOYSA-N 282.811 5.282 30 40 CKEB C=CCCCCCCCC[C@H]1OC[C@H](CC)[C@H](CCC)O1 4430193 BILILUPVWQSZDG-FHWLQOOXSA-N 296.495 5.861 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C 4802492 CECREIRZLPLYDM-RAUXBKROSA-N 290.491 5.502 30 40 CKEB biogenic,in-vitro C=CCCCCCCCCCCCCCCCC=C 98174975 ZICBMHDDLLEGHU-UHFFFAOYSA-N 264.497 7.210 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 104226125 IRDIDNLCIMBWOM-MLVLIFOTSA-N 290.515 5.026 30 40 CKEB CCCCc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 106307160 TUXGOFNJTSURGY-DEDYPNTBSA-N 281.399 5.102 30 40 CKEB CCCCCC#CC/C=C\CCCCCCCC(=O)OC 142372766 PBUBQZYMYOKABE-KHPPLWFESA-N 292.463 5.420 30 40 CKEB CCCCCCCCCCCCCCCCC1=NCCN1 104129366 YCXSOFSFOLMPHV-UHFFFAOYSA-N 294.527 5.860 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 104226117 IRDIDNLCIMBWOM-MUGJNUQGSA-N 290.515 5.026 30 40 CKEB CCCCCCCC[P@](=O)(O)C[C@H](C)CC(C)(C)C 90132804 GCFDZWNAGYKLMK-OAHLLOKOSA-N 290.428 5.690 30 40 CKEB CCCCCCCCOc1ccc2ccccc2c1Cl 100910969 IULRWTCZWDFYSH-UHFFFAOYSA-N 290.834 6.233 30 40 CKEB CCCCCCCCCCC#Cc1ccc(C)c(Cl)c1 101733002 IVHNYBIEKRSRFG-UHFFFAOYSA-N 290.878 6.531 30 40 CKEB CCCCCCCCCCC/C=C/[C@@H](C#N)C(=O)OCC 104151686 QBQQULATZUOYSB-ZWKQNVPVSA-N 293.451 5.166 30 40 CKEB CC/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](C)/C=C(\C)C(=O)CC 2332243381 ODKUSIVMRZWEJX-CWRDNPOXSA-N 290.447 5.056 30 40 CKEB C=CCCCCCCCCC(=O)Nc1ccc(C)cc1C 2065834 BSMAOGIYINQGNQ-UHFFFAOYSA-N 287.447 5.549 30 40 CKEB c1ccc(CN(N=C2CCCCC2)c2ccccc2)cc1 4923883 QBGYTPHHZCOXAD-UHFFFAOYSA-N 278.399 5.013 30 40 CKEB Cc1cc(C)cc(C#C/C=C\c2cccc3ccccc23)c1 8383921 PCTSDWSGTZHLRJ-WTKPLQERSA-N 282.386 5.522 30 40 CKEB CC/C(=N\O)c1ccc2cc(Cl)c3ccccc3c2c1 17312219 YLGGLONKSBOZFO-HTXNQAPBSA-N 283.758 5.235 30 40 CKEB CCCCCCCC[C@H](C)CCCCCCCCC(=O)O 30731523 BEOUGZFCUMNGOU-SFHVURJKSA-N 298.511 6.579 30 40 CKEB in-man,metabolite C=CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Cl 409216547 JEBWFUSUYCYHNS-UDWIEESQSA-N 299.801 5.272 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 4024323 IGGWKHQYMAJOHK-APQLOABGSA-N 290.491 5.743 30 40 CKEB Cc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1C 408737709 FUTSYPABLPMLAY-KGENOOAVSA-N 288.394 5.153 30 40 CKEB Cc1ccc(/N=C2/CCCC[C@@H]2Nc2ccc(C)cc2)cc1 104085598 MDKCLFSIQHQHBS-MMDUXOIOSA-N 292.426 5.431 30 40 CKEB CCCCCCCCCC1OCC(C)(CCC)CO1 104361268 PBLBEBKQXZTTSS-UHFFFAOYSA-N 270.457 5.306 30 40 CKEB C=C(CCC=C(C)C)[C@H]1CC=C(CCC=C(C)C)CC1 2559023 GJYJYFHBOBUTBY-FQEVSTJZSA-N 272.476 6.762 30 40 CKEB endogenous,in-man C/C=C/CCCCCCCCCCCCCCCC 60107609 HANVOGLDKHFHBY-HWKANZROSA-N 266.513 7.434 30 40 CKEB CCCCCCCCc1ccc(C(OCC)OCC)cc1 101745046 BAOJGVIFPIBYTP-UHFFFAOYSA-N 292.463 5.661 30 40 CKEB CC(C)c1ccc(/N=C/c2ccc3ccccc3c2O)cc1 409054350 JDXOFLMRJGWVQQ-FYJGNVAPSA-N 289.378 5.419 30 40 CKEB CCCCCCCCSc1ccc(C(C)=O)cc1 98045080 CARDPDNUUWKMSX-UHFFFAOYSA-N 264.434 5.342 30 40 CKEB O=C(/C=C/c1ccccc1)c1cc(Cl)cc(F)c1Cl 575360874 QMEZYOJLXHMPFJ-VOTSOKGWSA-N 295.140 5.029 30 40 CKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(F)cc1 6339600 UIOXFRCDTAWYGV-RMKNXTFCSA-N 295.140 5.029 30 40 CKEB CCCCCCCCCC[C@@H](O)CCCCCC 100683371 KJWLAZDNFRTNJS-KRWDZBQOSA-N 256.474 5.849 30 40 CKEB C=CC(=O)OC[C@H](CCCCCC)CCCCCCCC 104959952 RTJWWLFRBSTNDB-GOSISDBHSA-N 296.495 6.053 30 40 CKEB CC(C)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1 409058898 ZGOOSRAFSFGBJR-VAWYXSNFSA-N 299.801 5.272 30 40 CKEB Cc1cccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)c1C 409199034 BALNOKJQWZSNGM-QGMBQPNBSA-N 294.181 5.066 30 40 CKEB CCCCCCCCCCCC1=N[C@H](CC)CO1 2046626 MUQWTZNSVCVDGD-OAHLLOKOSA-N 253.430 5.115 30 40 CKEB C=CCCCCCCCCC(=O)Nc1ccc(C)cc1 2057766 XGBKEFSEZYVWCC-UHFFFAOYSA-N 273.420 5.240 30 40 CKEB CCCCCCCC(=O)Nc1ccc2ccccc2c1 3155834 RGNQBGVWAMCHNL-UHFFFAOYSA-N 269.388 5.139 30 40 CKEB C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)N1Cc1ccccc1 5480724 PNNDPZUDECWKOK-VQTJNVASSA-N 281.443 5.118 30 40 CKEB C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)O)C[C@@H]12 14679139 VGVBCHZWSHUBLW-AAWJUBKHSA-N 288.475 5.423 30 40 CKEB CC(C)(C)c1ccc(/N=C\c2ccc(Cl)s2)cc1 408966558 NFMMLECWOVIUIG-YVLHZVERSA-N 277.820 5.450 30 40 CKEB Oc1c(Cl)cc(Cl)cc1/C=N/CCC1=CCCCC1 96316625 PKGNZBQDCOFNOE-VCHYOVAHSA-N 298.213 5.008 30 40 CKEB CCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1 97994383 UIGMGAUXSRBGFP-UHFFFAOYSA-N 278.399 5.133 30 40 CKEB CCCCCCCCCc1ccc(CBr)cc1 146271843 CKYDCKQAHXOCBB-UHFFFAOYSA-N 297.280 5.875 30 40 CKEB C[C@]12CC[C@@H](C#N)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 253617390 KLNWLDZOCLFNHL-LXKXAPTBSA-N 285.475 5.559 30 40 CKEB CCCC[P+](CCCC)(C(C)(C)C)C(C)(C)C 261828194 FJIBKHMSRNVBKU-UHFFFAOYSA-N 259.438 6.201 30 40 CKEB CCCCCCCCCC[C@@H](O)CCCCCCCCC 101673559 XYQREBYZFVVGCJ-FQEVSTJZSA-N 298.555 7.019 30 40 CKEB N#C[C@]12CCCC[C@@H]1CC1=C(CCCC1)N2c1ccccc1 2279423 PCKPVHHMIHMOOT-YLJYHZDGSA-N 292.426 5.177 30 40 CKEB CCCCCCCCCCCC[C@@H](C)C[C@@H](CN)N(C)C 228970271 OGKFOZYEYIRZNK-MOPGFXCFSA-N 298.559 5.213 30 40 CKEB N#C[C@H](c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 39395186 KBSXVPILOCGMDH-LLVKDONJSA-N 296.584 5.302 30 40 CKEB in-vitro CCn1cccc1/C=N/c1ccc(Nc2ccccc2)cc1 408932690 YQKKRPBULQCRMY-HMMYKYKNSA-N 289.382 5.002 30 40 CKEB CCCCCCCCOc1ccc(Cl)cc1Cl 1732349 GJIGWEGYZKMMTH-UHFFFAOYSA-N 275.219 5.733 30 40 CKEB Cc1cc(N/N=C2\C[C@@H](C)CC(C)(C)C2)nc2ccccc12 6044157 MFMAMQBHCIVIOI-IKGJXOFFSA-N 295.430 5.157 30 40 CKEB C=C(C)Cc1ccc2ccc3cccc4ccc1c2c34 95902313 JFQRZKZOIMBMRH-UHFFFAOYSA-N 256.348 5.703 30 40 CKEB Cc1cccc(/N=C/c2c(Cl)cccc2Cl)c1 409216877 PIIMOQUHUPXGAE-RQZCQDPDSA-N 264.155 5.052 30 40 CKEB CCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330226 PXORTNJOMOXUDQ-HJWRWDBZSA-N 294.254 5.736 30 40 CKEB O=C1/C(=C/c2cccc3ccccc23)CCc2ccccc21 1024794 VNBFDIWROKJBLT-NBVRZTHBSA-N 284.358 5.052 30 40 CKEB CC1=C/C(=N\[C@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 4430707 MXMBEEGCFXGYPY-LMDAOGCHSA-N 261.453 5.409 30 40 CKEB C[C@@H]1CC/C(=C/c2ccccc2)C(=O)/C1=C/c1ccccc1 100250514 CLIGIHASZVYIMB-BGVDWQIYSA-N 288.390 5.153 30 40 CKEB CCCCCCCc1ccc(C(=O)CC(C)(C)C)cc1 575357701 XBULBWYSGBSCNX-UHFFFAOYSA-N 274.448 5.818 30 40 CKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C 2090400 QVIBKECDBFIZNV-DLBZAZTESA-N 254.458 5.721 30 40 CKEB biogenic CCCCCCCCc1cc2ccccc2c2ccccc12 3151733 LALQRTIIRFOARP-UHFFFAOYSA-N 290.450 6.896 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(C(C)C)cc1 104343231 BGYWIPPCORRYFW-MTJSOVHGSA-N 295.426 5.698 30 40 CKEB CCCCCc1ccc(C#Cc2ccc(OCC)cc2)cc1 12359424 QRMMWBMCJKXXKV-UHFFFAOYSA-N 292.422 5.218 30 40 CKEB CCCCCCCc1ccc(C(=O)C=C(C)C)cc1 14968970 WERWZTKWQBWAQH-UHFFFAOYSA-N 258.405 5.348 30 40 CKEB CCCCCCCCCCCCCCCCNC=O 100023938 ZJZZEOFPTKOHHZ-UHFFFAOYSA-N 269.473 5.214 30 40 CKEB CCCCCCCCOc1ccccc1C(F)(F)F 2562437 KERRBVYEVFOYRC-UHFFFAOYSA-N 274.326 5.445 30 40 CKEB Cc1csc2sc(C(=O)/C=C/c3ccccc3)c(C)c12 5218865 LUCRSYIJHNSIMP-CMDGGOBGSA-N 298.432 5.476 30 40 CKEB CCCCCCCC/C=C\CCCCCCCC=O 38152823 ZENZJGDPWWLORF-KTKRTIGZSA-N 266.469 6.223 30 40 CKEB in-vitro CCCCCCCCCCCC[C@H](C)C[C@@H](CN)N(C)C 228970284 OGKFOZYEYIRZNK-OALUTQOASA-N 298.559 5.213 30 40 CKEB C=CCCCCCCCCC(=O)Oc1ccc(C)cc1C 2061906 JFDOXCRDJSFDIR-UHFFFAOYSA-N 288.431 5.516 30 40 CKEB CCCCCCCCCCCC[N+](C)(C)CCCC 38158032 VQRZNCVKGHWIHL-UHFFFAOYSA-N 270.525 5.784 30 40 CKEB CCCCCCCCCc1ccc2cccnc2c1O 100935851 PWMOFKKLPZETDD-UHFFFAOYSA-N 271.404 5.234 30 40 CKEB CCCCCCCCC[C@@H]1O[C@H](C)CC(C)(C)O1 100301418 QYDJHALLCQLSOO-HUUCEWRRSA-N 256.430 5.057 30 40 CKEB CCCCCCCC/C=C\C/C=C\CCCCC(=O)OC 100501239 AKCKWBLFZNXDLY-XVTLYKPTSA-N 294.479 5.973 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(F)cc1C 101473855 VLESCKORHBEFQX-UHFFFAOYSA-N 292.438 6.238 30 40 CKEB CCCOc1cccc(/C=N\c2cc(Cl)ccc2C)c1 409213359 SXCCQVALXVQWSX-UNOMPAQXSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCC[P@](=O)(O)CCCCCC 627276240 PFBLZWCWQXJCGJ-UHFFFAOYSA-N 290.428 5.978 30 40 CKEB Cc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 71976963 JGSUOFDKPFAVTO-VMPITWQZSA-N 291.177 5.198 30 40 CKEB CCCCCCCCC(=O)c1ccc(CCCC)cc1 101470755 OGJFCZVXWOCIIA-UHFFFAOYSA-N 274.448 5.963 30 40 CKEB CCCCCCCCCCCCC[C@@H](O)CCCC 101673604 QANCZOOABLPKBN-SFHVURJKSA-N 270.501 6.239 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 104226112 IRDIDNLCIMBWOM-JKIHBJOUSA-N 290.515 5.026 30 40 CKEB CCCCCCCC[C@@H](CC#N)CCCCCC 146628399 QMWMVVLOJOWQJK-KRWDZBQOSA-N 251.458 6.237 30 40 CKEB Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1C 571411 JBBBXSNNEJNTDO-GIJQJNRQSA-N 278.182 5.361 30 40 CKEB N#CCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1760537 NETAEENURPVOMI-UHFFFAOYSA-N 289.376 5.020 30 40 CKEB CCCCCCCCc1ccc(Nc2ccccc2)cc1 2243675 DMLLDZGHGNLZNW-UHFFFAOYSA-N 281.443 6.333 30 40 CKEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 4128070 MAVZHMXPCYKKNA-JLHYYAGUSA-N 296.369 5.154 30 40 CKEB CCc1cccc(C)c1N/C=C/C(=O)c1ccc(Cl)cc1 32100127 MKIFVMJMANIWKV-VAWYXSNFSA-N 299.801 5.019 30 40 CKEB CCCCCCCc1ccc(C(=O)c2ccnc(C)c2)cc1 100594717 SWRFFTBXRBUYCG-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB CCCCCCCCCCCCc1ccc(OC)cc1 100922098 XTYSNEGAKVMQIA-UHFFFAOYSA-N 276.464 6.159 30 40 CKEB CCCCCCCCCCCCCCCCNC(=O)O 104042737 NDCHRBWMPJFJPY-UHFFFAOYSA-N 285.472 5.735 30 40 CKEB CC(C)(C)[C@H](CC(=O)/C=C\c1ccccc1)c1ccccc1 17283879 FZRMCJWOUKRDIU-HMZRMUTASA-N 292.422 5.489 30 40 CKEB CCCCCCCc1ccc(C(=O)CCSC)cc1 575357461 LUKNLOONQDIHSN-UHFFFAOYSA-N 278.461 5.135 30 40 CKEB CC(C)(C)C(=O)/C=C/c1ccc(Oc2ccccc2)cc1 1628701 OMBNYCIRAPPYPB-SDNWHVSQSA-N 280.367 5.107 30 40 CKEB Cc1ccc(/N=C/c2cccc3ccccc23)cc1C 3152197 RLKXWTDDISSXSH-DEDYPNTBSA-N 259.352 5.207 30 40 CKEB c1ccc([C@H]2Cc3ccccc3/C2=N\C2CCCCC2)cc1 18033185 AKMYNJLWHQZXQF-SQYHMDOVSA-N 289.422 5.148 30 40 CKEB CCCCCCCc1ccc(C(=O)c2cccc(C)n2)cc1 100593101 DHWCIHDWVFVVOR-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB C(=N\c1ccc(/N=C\c2cccs2)cc1)\c1cccs1 585086 CVNPKIOJKWDPBA-WHYMJUELSA-N 296.420 5.311 30 40 CKEB CCCCCCCC#Cc1ccc(Cl)c(F)c1 101735369 OXIRUCMHTIGNFF-UHFFFAOYSA-N 252.760 5.191 30 40 CKEB OC1(C#Cc2ccccc2)CCCCCCCCCCC1 3624074 UJVZONMPEKXIEF-UHFFFAOYSA-N 284.443 5.074 30 40 CKEB CCc1cccc(C)c1/N=C/c1c(O)ccc2ccccc12 32101504 XJVCLOOVJXOQEB-FYJGNVAPSA-N 289.378 5.167 30 40 CKEB C=CC(=C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 4073913 JTWQQJDENGGSBJ-KVPLUYHFSA-N 290.491 5.502 30 40 CKEB biogenic,in-man CCCCCCCCCCCCCCCC[N+](=O)[O-] 115273573 LMTCHMNYSSJHPG-UHFFFAOYSA-N 271.445 5.744 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@H]2CC=CC[C@@H]2C1 1677264 QNUCBGSNQVEKFM-RTBURBONSA-N 278.504 5.170 30 40 CKEB C(=N/c1ccc(CSc2ccccc2)cc1)\c1ccco1 20242143 KFWJOASVNAZNQH-CPNJWEJPSA-N 293.391 5.323 30 40 CKEB C=CCC1(N[C@@H](C)c2ccccc2)CCCCCCC1 1249506 GJZMBLUKJQBDML-KRWDZBQOSA-N 271.448 5.396 30 40 CKEB O=C(/C=C\c1ccccc1Cl)c1cccc2ccccc12 5808887 VCEPBNDYZZBYQS-SEYXRHQNSA-N 292.765 5.389 30 40 CKEB CCCCCCCCCn1c(CCC)nc2ccccc21 50861288 XQTLDXSWGDJWHJ-UHFFFAOYSA-N 286.463 5.739 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC=C(CCC=C(C)C)CC1 85881267 GJYJYFHBOBUTBY-HXUWFJFHSA-N 272.476 6.762 30 40 CKEB endogenous,in-man Cc1ccccc1C(=O)/C=C/c1cccc(Cl)c1Cl 6626561 GTILOHUMNJUOSO-MDZDMXLPSA-N 291.177 5.198 30 40 CKEB FC(F)(F)c1cccc(/N=C/c2ccc(Cl)cc2)c1 100238869 SKCFJRGBEPRISN-DJKKODMXSA-N 283.680 5.109 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 1673485 FWUGUWWARQCCAV-OALUTQOASA-N 280.520 5.394 30 40 CKEB CCCCCCCC/C=C/CCCCCCCC(N)=O 14880924 FATBGEAMYMYZAF-MDZDMXLPSA-N 281.484 5.509 30 40 CKEB in-vivo CCCCCCCCCCCCCC[C@@H]1CCC(=O)O1 49878340 GYDWWIHJZSCRGV-QGZVFWFLSA-N 282.468 5.783 30 40 CKEB CCCCCCCCCC(=O)c1ccc(Cl)cc1C 101471573 WKTXSSKJMIMWMF-UHFFFAOYSA-N 280.839 5.972 30 40 CKEB CCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O 100935833 FFVNXDLFXTYUFP-UHFFFAOYSA-N 299.414 5.182 30 40 CKEB CCCCCCCCCc1ccc2cccc(O)c2n1 100935848 RCJIRQUPMUBOSW-UHFFFAOYSA-N 271.404 5.234 30 40 CKEB C=CCCCCCCCCC(=O)Oc1cccc(C)c1C 2065833 DJRHUYYIHWJBSK-UHFFFAOYSA-N 288.431 5.516 30 40 CKEB CCCCCCCCCCCCCCC[C@@H](C)O 100066522 ZNYQHFLBAPNPRC-QGZVFWFLSA-N 256.474 5.849 30 40 CKEB CC(C)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 6201338 QHTVLWRQHVHJAE-FMIVXFBMSA-N 290.362 5.452 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 34126009 IGGWKHQYMAJOHK-MSJBJCGKSA-N 290.491 5.743 30 40 CKEB CCCCCCCCCCCCc1cc(O)ccc1O 101005006 ZNQOWAYHQGMKBF-UHFFFAOYSA-N 278.436 5.561 30 40 CKEB C1=C(Nc2ccccc2)c2ccccc2/C1=N\c1ccccc1 100388194 GPGQXSOWUPLZDT-LNVKXUELSA-N 296.373 5.274 30 40 CKEB C=C(Br)CCCc1ccc(Cl)c(Cl)c1 952958831 VDJCCVJQYBGHQV-UHFFFAOYSA-N 294.019 5.225 30 40 CKEB CCCCCCCCCCCCCCC(=O)C(=O)OCC 86037063 UVGWPTZSLLIEOQ-UHFFFAOYSA-N 298.467 5.210 30 40 CKEB CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530497 CZSLDAYFECAGEY-BQYQJAHWSA-N 280.227 5.346 30 40 CKEB C=CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Cl 409199669 CNLQUVNAABAUKA-UDWIEESQSA-N 299.801 5.272 30 40 CKEB Cc1cc(C(=O)/C=C\c2ccccc2Cl)ccc1Cl 33373938 KHTCICUOYGSQNH-CLFYSBASSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCCCCCC(=O)OCCC 100122954 BEKZXQKGTDVSKX-UHFFFAOYSA-N 298.511 6.421 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1ccc(C)c(F)c1 47892 ZVDNUNCKYKLOIK-CIAFOILYSA-N 293.341 5.047 30 40 CKEB Cc1ccsc1/C=C/C(=O)c1ccc(Cl)cc1Cl 6790051 CDSWFXQFTJEJHA-SNAWJCMRSA-N 297.206 5.259 30 40 CKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(O)c(Cl)c2)c1 8367823 LNSFQSLEXZRCKK-QGMBQPNBSA-N 294.181 5.066 30 40 CKEB CCCCCCCCCc1nc2ccccc2n1CCC#N 102594312 TXJVCFHSAQRMKV-UHFFFAOYSA-N 297.446 5.243 30 40 CKEB Cc1ccc(/N=C\c2ccc(-c3cccc(F)c3)o2)c(C)c1 409014652 XVMVDCGGQOMGOD-MTJSOVHGSA-N 293.341 5.453 30 40 CKEB Cc1ccc(C(=O)/C=C/c2ccccc2)c2ccccc12 83204418 JIJOGGIYPXYIPI-WYMLVPIESA-N 272.347 5.044 30 40 CKEB CCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530577 PXORTNJOMOXUDQ-CMDGGOBGSA-N 294.254 5.736 30 40 CKEB CCCOc1ccc(/C=N/c2ccccc2C)cc1Cl 6941891 SJAOOVXTFNGPSH-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB C=CC(c1ccccc1)(c1ccccc1)c1ccccc1 98090992 AUICGMJCNRKTII-UHFFFAOYSA-N 270.375 5.207 30 40 CKEB Cc1ccc(N=C(c2ccccc2)c2ccccc2)cc1C 1003654 RDNIIPSNZFKQMC-UHFFFAOYSA-N 285.390 5.473 30 40 CKEB Cc1coc(C)c1C(=O)/C=C/c1ccc(Cl)cc1Cl 4079360 GVTRRRUJTDSUHL-GQCTYLIASA-N 295.165 5.099 30 40 CKEB O=C(/C=C/c1ccc(Cl)s1)c1ccc(Cl)s1 4722923 SWOYNTHAVGKVJZ-HNQUOIGGSA-N 289.208 5.013 30 40 CKEB CCCCCCC[C@H](C)CCCCCCCCC(=O)OC 100139889 DRJCIKFLPGIEQC-SFHVURJKSA-N 298.511 6.277 30 40 CKEB C=C(C)CCCCCCCCCCCCCCCC 100940352 BRZBAFBEFONLMB-UHFFFAOYSA-N 266.513 7.434 30 40 CKEB C=C(C)[C@H]1CCC(C)=C1CC[C@H](C)OC(=O)c1ccccc1 1670283 CYQNMSYFCZTRNA-FUHWJXTLSA-N 298.426 5.315 30 40 CKEB Oc1c(/C=N/c2ccc(F)c(Cl)c2)ccc2ccccc12 4576253 OOXYMJXESMOHRJ-KEBDBYFISA-N 299.732 5.089 30 40 CKEB CCCCCCCCCCCC[N+](CC)(CC)CC 14096295 DGJUONISEWDPFO-UHFFFAOYSA-N 270.525 5.784 30 40 CKEB Cc1cccc(C(=O)/C=C/c2ccc(C(C)C)cc2)c1 71977178 FWEZKXNOLYWHGU-FMIVXFBMSA-N 264.368 5.015 30 40 CKEB C=C(CCCCCC(=C)C[Si](C)(C)C)C[Si](C)(C)C 219784696 AHAFNEOKYBZJMR-UHFFFAOYSA-N 296.647 6.726 30 40 CKEB CCCCCCCCCCCCn1cnc2ccccc21 1634047 MVCMYAMUMDUWAZ-UHFFFAOYSA-N 286.463 5.957 30 40 CKEB CCCCCCCCCCC#Cc1cc(F)cc(F)c1 101733361 UHPVHIHPNUKSGU-UHFFFAOYSA-N 278.386 5.847 30 40 CKEB C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@@H]2C[C@H](C)CC[C@H]12 4026935 NNOLCPLJEUHKPQ-APQLOABGSA-N 290.491 5.909 30 40 CKEB CCCCCC[C@](C)(O)C#Cc1ccc(C(C)(C)C)cc1 95631499 ZFTVNNXTBVXUFS-FQEVSTJZSA-N 286.459 5.057 30 40 CKEB CCCCCCCC[C@H]1CN(CCCCCC)CCO1 100923433 OGGSQMOBLXGIRQ-SFHVURJKSA-N 283.500 5.018 30 40 CKEB CCCCCCCCC(=O)c1ccc(C)c(Cl)c1 101471458 LGEKSHYVBMIBRT-UHFFFAOYSA-N 266.812 5.582 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(Cl)c1 101471865 LUESLMYEBJKMQB-UHFFFAOYSA-N 294.866 6.444 30 40 CKEB CCCCCCCCC1=C(CCCCCCC(=O)OC)C1 86025174 GYLXZHKHPYLEIF-UHFFFAOYSA-N 294.479 5.951 30 40 CKEB CCCCCCCCCCCCCCN1CCOC1=O 100924184 SJBIJAZMEXWHLN-UHFFFAOYSA-N 283.456 5.140 30 40 CKEB CCCCCCCSc1nnc(-c2ccc(C)cc2)o1 101376806 PZTAHIGXBQRSFZ-UHFFFAOYSA-N 290.432 5.108 30 40 CKEB Cc1ccsc1/C=N/N(c1ccccc1)c1ccccc1 409002302 SWHQEZCSBFRJGQ-XMHGGMMESA-N 292.407 5.229 30 40 CKEB CCCCCCCCC/C=C\C/C=C\CCCC(=O)O 85592116 UQQPKQIHIFHHKO-XVTLYKPTSA-N 280.452 5.885 30 40 CKEB in-vitro N#Cc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 976650 STQSDLGRVNSDTQ-UHFFFAOYSA-N 279.342 5.128 30 40 CKEB C=C[C@](C)(O)CC[C@@H]1CCC[C@@H]2C(C)(C)CCC[C@]12C 248043209 VVUVZVUAPNPEDQ-OGWHTMIXSA-N 278.480 5.336 30 40 CKEB CCCC[C@H](CC)CC[C@H](CC(C)C)OCCC#N 1729704 ZJVAVXYEMLQDSU-DLBZAZTESA-N 267.457 5.328 30 40 CKEB CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl 6958140 HWYJDMVHWYUDDB-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB CCCCCCC(=O)/C=C\c1ccc(Cl)cc1Cl 16955363 GYUAJPUNRBVZJZ-NTMALXAHSA-N 285.214 5.546 30 40 CKEB CCCCCC(/C=N\Nc1ccccn1)=C/c1ccccc1 31667571 CNNTXSNTKQVTPV-PSNBXYPMSA-N 293.414 5.143 30 40 CKEB CCCCCCCCCCOc1ccc(C(=O)O)c(F)c1 2512528 KGDJHFSYERDQGZ-UHFFFAOYSA-N 296.382 5.043 30 40 CKEB C=CC[C@H]1Nc2ccccc2C=C1c1ccc2ccccc2n1 4043425 YFKMFIUNLASCNP-HXUWFJFHSA-N 298.389 5.146 30 40 CKEB N#CC[C@H](c1ccccc1)C1c2ccccc2-c2ccccc21 4589238 KFOOYGMSQMTFNS-QGZVFWFLSA-N 295.385 5.496 30 40 CKEB CCCCCCCCCCCCCCC[C@H](C)C(=O)O 59518910 IZUAKSAWRVFBPE-KRWDZBQOSA-N 284.484 6.188 30 40 CKEB in-vitro CCCCCCCCCC(=O)Nc1ccc(F)cc1F 97941774 RLWFDNZHUASYHH-UHFFFAOYSA-N 283.362 5.044 30 40 CKEB C=CCNC(=O)[C@@H](CCCCC)CCCCCCCCC 101673665 WPRQHXCNUOUDLF-SFHVURJKSA-N 295.511 5.626 30 40 CKEB O=C(/C=C/c1ccccc1)c1ccc2oc3ccccc3c2c1 3898784 UNRWSVCECRBMML-ZRDIBKRKSA-N 298.341 5.482 30 40 CKEB CCCCCCCCCc1noc(-c2ccc(C)cc2)n1 8453708 IKMQLIJJSPFFSH-UHFFFAOYSA-N 286.419 5.338 30 40 CKEB CCCCCCCCCC[C@H](O)c1ccc(C)cc1O 100922084 NXFUSPOCNUBHOT-KRWDZBQOSA-N 278.436 5.265 30 40 CKEB CCCCCCCCCCC/C=C/[C@H](C#N)C(=O)OCC 104151694 QBQQULATZUOYSB-IAOULYHDSA-N 293.451 5.166 30 40 CKEB CCCCCCCC[C@](CC)(CCCC)C(=O)O 1555543 ZMLHDQDNVVPPRP-INIZCTEOSA-N 256.430 5.408 30 40 CKEB CCCCCCCCCC(=O)c1ccc(O)c2ncccc12 100921751 CWBIMKYMYUXNNW-UHFFFAOYSA-N 299.414 5.264 30 40 CKEB CCCCCCCCCCC1O[C@@H](C)C[C@H](C)O1 1590097 TXANYHCPKPNEDA-GJZGRUSLSA-N 256.430 5.057 30 40 CKEB N#CCc1c2ccccc2cc2c1ccc1ccccc12 2032141 GHUUNAACTDWPKC-UHFFFAOYSA-N 267.331 5.212 30 40 CKEB in-vitro C(=Nc1ccccc1)=C(c1ccccc1)c1ccccc1 2147461 VQOIZBIQANZRDY-UHFFFAOYSA-N 269.347 5.120 30 40 CKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 4751080 JXJPSCKSDZPJKP-XBXARRHUSA-N 295.140 5.029 30 40 CKEB Cc1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408858908 UJPQFQMEVOIXKV-MOSHPQCFSA-N 294.785 5.190 30 40 CKEB C=CCCCCCCCC[C@@H]1OCC(C)(C)[C@@H](C(C)C)O1 4430195 YPYNEVLQTMVQRM-QZTJIDSGSA-N 296.495 5.717 30 40 CKEB CCCCCCCCCCCc1ccc(C#N)c(C#N)c1 59608847 JWPPOYOXAMZKRZ-UHFFFAOYSA-N 282.431 5.503 30 40 CKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C/C(=N/O)CC[C@]3(C)[C@H]1CC2 118928291 JUOKOKWZZXYKBQ-ZEWGRTNJSA-N 289.463 5.249 30 40 CKEB CCc1ccc(N/C=C2\C[C@@H](C(C)(C)CC)CCC2=O)cc1 408563939 SJXLJGWXDGERNI-ZQHZRZASSA-N 299.458 5.350 30 40 CKEB Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc12 1104493 CFVMLACBKWKHEP-HYARGMPZSA-N 297.357 5.449 30 40 CKEB biogenic CCCCC#CC#CCCCCCCCCCCN(C)C 5457301 GBGMDIHLAHJNKQ-UHFFFAOYSA-N 289.507 5.256 30 40 CKEB CCCCCC/C=C/CCCCCCCCC(=O)O 96023470 GDTXICBNEOEPAZ-BQYQJAHWSA-N 268.441 5.718 30 40 CKEB in-vitro CC(C)(C)C1=CC(Cl)(C(C)(C)C)C=C(C(C)(C)C)C1=O 1608626 NEQLTAGYGHWRSY-UHFFFAOYSA-N 296.882 5.538 30 40 CKEB CCCCCCCCCCCCCCCCNCCCC 59608280 CIIWLJCMUBLEDR-UHFFFAOYSA-N 297.571 6.857 30 40 CKEB O=C1/C(=C\c2ccccc2)CCCC/C1=C\c1ccccc1 18042441 CDWCNIVDIALVDN-VBGLAJCLSA-N 288.390 5.297 30 40 CKEB CCCCCCCCC(=O)c1cccc2ccccc12 101475050 CPIHHSQNBNBUPI-UHFFFAOYSA-N 268.400 5.773 30 40 CKEB CCCCCCCCCCCCCCCCCCC(C)=O 85479626 GARHHHWGJIXLDK-UHFFFAOYSA-N 296.539 7.227 30 40 CKEB CCCCCCCCCC(=O)c1cc(OC)cc(OC)c1 98209665 YVSIRBTWQSGOBH-UHFFFAOYSA-N 292.419 5.027 30 40 CKEB in-vitro CCCCCCCCCCCC(=O)c1ccc(C)c(F)c1 101473646 OPIJKERYBHEGRI-UHFFFAOYSA-N 292.438 6.238 30 40 CKEB C=CCCCCCCCCCP(=O)(OCC)OCC 96639842 LHHVEENJBDKEOB-UHFFFAOYSA-N 290.384 5.559 30 40 CKEB C(CCCCCCC[C@H]1CO1)CCCCCC[C@H]1CO1 4723038 WSOIAYXUPXLABQ-ROUUACIJSA-N 282.468 5.245 30 40 CKEB C[C@@H]1CC/C(=C/c2ccccc2)C(=O)/C1=C\c1ccccc1 17004163 CLIGIHASZVYIMB-GHVKXBPGSA-N 288.390 5.153 30 40 CKEB CCCCCCCCCCC#CCCCCC(C)C 2528276 WQMKDHREUPHQQE-UHFFFAOYSA-N 264.497 6.737 30 40 CKEB CCCCCCCCCCC#Cc1cccc(Cl)c1 101733212 VYPOQHXWPVZVNC-UHFFFAOYSA-N 276.851 6.222 30 40 CKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1ccccc1 5003297 AGBSHMKRSVRCNP-HEHNFIMWSA-N 286.378 5.249 30 40 CKEB Cc1c(Cl)cccc1N=Cc1ccc2ccccc2c1O 260840656 URKWANFNACLGJH-UHFFFAOYSA-N 295.769 5.258 30 40 CKEB Cc1ccc(/C(=N\c2ccccc2)c2ccccc2C)cc1 17106902 BTTGLUDTRRJKKH-QURGRASLSA-N 285.390 5.473 30 40 CKEB Clc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 275357 CUPQSKFYFXHNSN-KGENOOAVSA-N 291.781 5.758 30 40 CKEB CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1 6880859 GHHNWSCTGKCNHR-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCC(O)CCCCCCCCC 85531020 ACMBVSPXQQUNOF-UHFFFAOYSA-N 284.528 6.629 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCCCCC(C)C 86051428 RJWUMFHQJJBBOD-UHFFFAOYSA-N 254.502 7.124 30 40 CKEB in-vitro CCCCc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 44835772 CDZGUQQPABFTAF-XDHOZWIPSA-N 287.790 5.139 30 40 CKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C#N)CCC[C@]21C 1232557 KSODEYYYINEFHT-VAMGGRTRSA-N 281.443 5.344 30 40 CKEB biogenic CC1(C)C/C(=C/c2ccc(Cl)cc2)C(=O)c2ccccc21 1754583 HFLZOOFWBQTRBZ-KAMYIIQDSA-N 296.797 5.288 30 40 CKEB CCCCCCCC(c1ccc(O)cc1)c1ccc(O)cc1 3233829 NBKVULRGDSYCGP-UHFFFAOYSA-N 298.426 5.590 30 40 CKEB CC/C(=N\O)c1ccc2c(c1)cc(Cl)c1ccccc12 4775010 ZPICMZXTKCKZNV-HTXNQAPBSA-N 283.758 5.235 30 40 CKEB CCCCCCCC(=O)c1ccc(F)c(Cl)c1 101470965 CRHDLFVNMKISAC-UHFFFAOYSA-N 256.748 5.022 30 40 CKEB Cc1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1 301470 MCFKJXZGLAHKES-CPNJWEJPSA-N 261.324 5.006 30 40 CKEB CCCCCCC[C@@H](C)Oc1ccc(C=O)cc1OCC 1792803 UEPLPBDNZKRAPB-OAHLLOKOSA-N 292.419 5.026 30 40 CKEB C(=N\c1ccc(-c2ccccc2)cc1)\c1ccccc1 17835859 WXZIDPUAURHXQI-HKWRFOASSA-N 257.336 5.104 30 40 CKEB Cc1ccc(/N=C2\CCCC[C@H]2Nc2ccc(C)cc2)cc1 18252442 MDKCLFSIQHQHBS-ABDBUPHLSA-N 292.426 5.431 30 40 CKEB CCCCCCCCCCCCC[C@@H](O)CCC 100503243 YPNRSIHGYMWAIQ-KRWDZBQOSA-N 256.474 5.849 30 40 CKEB CCCCCCCCCCOc1ccc(N)cc1Cl 101004965 ZRJQYHZBYGXOIT-UHFFFAOYSA-N 283.843 5.442 30 40 CKEB CCCCCCCCCCCCC/C=C/C(F)(F)F 103530955 QPRAEJGGUOQJPN-CCEZHUSRSA-N 278.402 6.806 30 40 CKEB Cc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1Cl 2160226 LYHMECVACVGLBT-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCOC(=O)Nc1cccc2ccccc12 1595988 MYLFQGDSJVRJKC-UHFFFAOYSA-N 299.414 5.749 30 40 CKEB CCCCCCC[C@H](C)CCCCCCCCC(=O)O 102180524 OQCDKBAXFALNLD-KRWDZBQOSA-N 284.484 6.188 30 40 CKEB CCCCCCCC[C@@H](CCCCCC)CC(=O)O 59787166 ZJCPPSOBZDPPEI-MRXNPFEDSA-N 270.457 5.798 30 40 CKEB CCCCCCCCCCCCNC(=O)c1cccs1 97941785 MVAJYWLPFBGQRH-UHFFFAOYSA-N 295.492 5.399 30 40 CKEB CCCCCCCCCCCC(OCC)OCC 100302840 CHURJRSXCYIYQX-UHFFFAOYSA-N 258.446 5.306 30 40 CKEB CCCCCCCCCCCC(=O)c1cc(C)cc(F)c1 101473733 PLZZRXDFJPRZCP-UHFFFAOYSA-N 292.438 6.238 30 40 CKEB CCCCCCCCC(=O)c1cccc(Cl)c1 101471859 MUWNQZTXFQVATE-UHFFFAOYSA-N 252.785 5.273 30 40 CKEB CCCCCCCCCCCCCCCCC[C@@H](C)N 60138535 CRTBHHWJNLQHEB-LJQANCHMSA-N 283.544 6.595 30 40 CKEB CCCCCCCCCn1ccc2c(CNC)cccc21 97972912 HMTOFXHORSXIKF-UHFFFAOYSA-N 286.463 5.111 30 40 CKEB CCCCCCCCC[C@H](CCCCC)C(=O)NC 101673690 UMIOJNNWFLSVAD-INIZCTEOSA-N 269.473 5.070 30 40 CKEB COc1ccc(Cl)cc1/C=N\c1ccc(C)c(Cl)c1 103731519 OKCUJJCFKXLRJQ-NVMNQCDNSA-N 294.181 5.061 30 40 CKEB CCCCCCCCCOc1ccc(Br)cc1 113069696 OZSZWNXULGXHIS-UHFFFAOYSA-N 299.252 5.579 30 40 CKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(CC)c2C)cc1 409096387 KEZHBJNVJAZRQW-GNUZOCDUSA-N 282.431 5.389 30 40 CKEB CCCCCC[C@](C)(O)C#Cc1ccc(Cl)c(Cl)c1 95633484 BQSTXIUANKQXHB-INIZCTEOSA-N 299.241 5.066 30 40 CKEB CCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1 101475136 MOYXWGDRAVRHJN-UHFFFAOYSA-N 296.410 6.022 30 40 CKEB CCCCCCCCCCC/C=C\[C@@H](C#N)C(=O)OCC 104151683 QBQQULATZUOYSB-XUZQSEFNSA-N 293.451 5.166 30 40 CKEB CCCCCC[C@@](C)(O)C#Cc1cc(Cl)cc(Cl)c1 95632926 GOKCWKMHDXJXFH-MRXNPFEDSA-N 299.241 5.066 30 40 CKEB CCCCCCCc1ccc(C(=O)[C@@H](C)CC)cc1 575357398 HCZIRQUBKTTXOT-HNNXBMFYSA-N 260.421 5.428 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 4802490 CECREIRZLPLYDM-ONCXSQPRSA-N 290.491 5.502 30 40 CKEB CC(C)c1ccccc1[S@@+]1OC(C)(C)c2ccccc21 5641515 FYMUKKQWUXJPOF-HXUWFJFHSA-N 285.432 5.027 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(C)c1 101474747 YQMXDRCQMZPXTG-UHFFFAOYSA-N 274.448 6.099 30 40 CKEB C(=N/c1cccc2ccccc12)\c1cccn1-c1ccccc1 408857720 WCTWRJDOCOBTMV-CJLVFECKSA-N 296.373 5.381 30 40 CKEB Cc1cc(C)cc(C#C/C=C/c2ccc3ccccc3c2)c1 8384070 FHSVUPJNTGIGRL-XVNBXDOJSA-N 282.386 5.522 30 40 CKEB CCCCCCCCCC(=O)Nc1ccc2ccccc2c1 2181332 LOYQOMLASCJZIE-UHFFFAOYSA-N 297.442 5.919 30 40 CKEB Cc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)c(C)c1 8368490 MIVMIIKIBGSFTQ-QGMBQPNBSA-N 294.181 5.066 30 40 CKEB CCCCCCCCCNCCCCCCCC 100116911 VXXCRDZDUHBQPF-UHFFFAOYSA-N 255.490 5.687 30 40 CKEB C=CC(=C)CC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C 4369785 JTWQQJDENGGSBJ-JYBIWHBTSA-N 290.491 5.502 30 40 CKEB CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Cl 6963960 LPLPKGYVQSMRME-YBFXNURJSA-N 287.790 5.106 30 40 CKEB CCCCCCCCCCCCCCC[n+]1ccccc1 38157512 JCZHPUQUBJFDFN-UHFFFAOYSA-N 290.515 6.065 30 40 CKEB CCCCCCCCC(=O)OC[C@@H](CC)CCCC 100297785 CCFWAONPPYWNDM-INIZCTEOSA-N 270.457 5.497 30 40 CKEB CCn1c(C)cc(/C=N\c2ccc(C(C)(C)C)cc2)c1C 409067620 GKBAPUUCOLUVRF-MOSHPQCFSA-N 282.431 5.173 30 40 CKEB CCCCCCCCCCCC[N+](C)(C)Cc1ccc[cH-]1 100027478 SYYLDCYEFKBLLN-UHFFFAOYSA-N 291.523 5.903 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1cccc2ccccc12 59508193 NACUICYTBOVWIK-UDWIEESQSA-N 279.770 5.552 30 40 CKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C#N)CCC[C@@]21C 3898590 KSODEYYYINEFHT-AABGKKOBSA-N 281.443 5.344 30 40 CKEB biogenic O=C(/C=C/c1ccccc1Cl)c1ccc2ccccc2c1 4277222 ZXDUIUQFWPZFRC-VAWYXSNFSA-N 292.765 5.389 30 40 CKEB CCCCCCCC(CCCCCCC)C(=O)O 100295472 QMTHILFALDMACK-UHFFFAOYSA-N 256.430 5.408 30 40 CKEB CCCCCCCCCCCC(F)(F)C(F)(F)F 103525804 DEKDWNXCJWRAMK-UHFFFAOYSA-N 274.317 6.105 30 40 CKEB CCCCCCCCCCCC[N+]1(CC)[C@@H](C)CC[C@@H]1C 104177237 PKZAAFWCLLOMHG-PMACEKPBSA-N 296.563 6.315 30 40 CKEB CCCCCCCCCCCCSC(=S)S 1668341 JGHKDVSIFPFNIJ-UHFFFAOYSA-N 278.552 5.855 30 40 CKEB CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]3CCC(=O)C=C3CC[C@@H]21 263598517 HYLSPEVBFQROOR-WOCWXWTJSA-N 284.443 5.219 30 40 CKEB CCCCCCC[C@@H](O)/C=C/CCCCCCCC(=O)O 85885976 MHBZYZVYSHCDLI-OKACTXMXSA-N 298.467 5.079 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCC[C@@H]1CCC[C@H](C)C1 100304135 IBPYRQACWYCFPT-RBUKOAKNSA-N 266.513 7.124 30 40 CKEB CC(C)CCCc1ccc(-c2ccc(C#N)cc2)cc1 2049212 TVNKVNUJECRAKT-UHFFFAOYSA-N 263.384 5.204 30 40 CKEB C=CCCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1 4429320 BRXNTZKPKAJNFN-JKSUJKDBSA-N 268.441 5.223 30 40 CKEB CCCCCCC/C=C/C=C/CCCCCCC(=O)O 100165874 QJKCKUNKNNYJNS-BNFZFUHLSA-N 280.452 5.885 30 40 CKEB CCCCCCCNCc1ccc(Cl)cc1Cl 97941732 NJFPHNAIJZTVIB-UHFFFAOYSA-N 274.235 5.053 30 40 CKEB C#C[C@@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 3881365 MULUCORRSAVKOA-XUVXKRRUSA-N 294.523 5.810 30 40 CKEB C(=N\c1cccc2ccccc12)\c1c[nH]c2ccccc12 17201147 IAGWEJBHUIBHJR-BKUYFWCQSA-N 270.335 5.072 30 40 CKEB CCCCCCCCn1c(C(C)C)nc2ccccc21 50861300 ZZLNICYMBAHYMW-UHFFFAOYSA-N 272.436 5.520 30 40 CKEB CCCCCCCNCc1ccc(-c2ccccc2)cc1 100027080 AZBDYDBNRSXDQM-UHFFFAOYSA-N 281.443 5.414 30 40 CKEB CCC[C@]1(c2ccccc2)C=CC(c2ccc(C#N)cc2)=CC1 604938980 SBYICSLUZILCNZ-QFIPXVFZSA-N 299.417 5.640 30 40 CKEB CCCOc1ccccc1/C=N/c1cc(Cl)ccc1C 6943284 WUTSPKFVJOSPFT-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCCN1C[C@H]2CC=CC[C@@H]2C1 1682911 OPIUBYGPOHBWMU-QZTJIDSGSA-N 263.469 5.025 30 40 CKEB C=C(C)CN(Cc1ccccc1)C1CCCCCCC1 1709189 BGLCWYDAOKEUKV-UHFFFAOYSA-N 271.448 5.178 30 40 CKEB CCCCCCCCCCCCCCCC(=O)S 64539401 KPUXJBYSYFEKKB-UHFFFAOYSA-N 272.498 5.924 30 40 CKEB in-vitro CCc1cccc(C)c1/N=C\c1ccc2ccccc2c1O 100248528 RQEQUWFFBJUOAI-BKUYFWCQSA-N 289.378 5.167 30 40 CKEB CCn1c(C)cc(/C=N\c2cccc(Cl)c2Cl)c1C 409075824 UOXHNLPFCHXPAM-NVMNQCDNSA-N 295.213 5.182 30 40 CKEB CCCCCCCCCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 8454304 ZAMBMASBQYCKLB-IKGGRYGDSA-N 281.484 5.068 30 40 CKEB Cc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1C 409018708 YNXWPZXELDKIFG-CIAFOILYSA-N 293.341 5.453 30 40 CKEB CCCCCCCc1ccc(C(=O)C2CCC2)cc1 575357589 RSWBEFLFKNGLKS-UHFFFAOYSA-N 258.405 5.182 30 40 CKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1c(C)cccc1C 32100550 QBAZKSDQUSPEBQ-SDNWHVSQSA-N 299.801 5.155 30 40 CKEB CCCCCCCCCCP(=O)(OCC)OCC 95682170 HYQXIVAZQBYBAF-UHFFFAOYSA-N 278.373 5.393 30 40 CKEB CCCCCCCSCCSCCCCCCC 100925991 HZMKOCRDEHSPBL-UHFFFAOYSA-N 290.582 6.394 30 40 CKEB CCCCCCOc1ccc(/C=N/c2ccc(O)cc2)cc1 2584471 JRNVBZKAQTXOMH-HMMYKYKNSA-N 297.398 5.102 30 40 CKEB C=C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 34126010 IGGWKHQYMAJOHK-LHDHZVESSA-N 290.491 5.743 30 40 CKEB biogenic Cc1ccc(C(=O)/C=C/Nc2ccc(C(C)C)cc2)cc1C 44843853 WBLVZSVNEXMHPO-VAWYXSNFSA-N 293.410 5.235 30 40 CKEB CCCCCCCCC(=O)c1cc(F)ccc1C 101474060 FBLFPNOTPDECQK-UHFFFAOYSA-N 250.357 5.067 30 40 CKEB Cc1ccc2cc(/C=C/C#Cc3ccccc3)ccc2c1 2077613 OMGSLENLIOUICE-UXBLZVDNSA-N 268.359 5.213 30 40 CKEB C=CCNc1nc(-c2ccccc2)c(-c2ccccc2)s1 2141244 AGGMDTBEVICZLM-UHFFFAOYSA-N 292.407 5.075 30 40 CKEB CC1=C/C(=N\N=C2/C=C(C)CC(C)(C)C2)CC(C)(C)C1 4705786 XJEYYLXANADAGE-MXWIWYRXSA-N 272.436 5.316 30 40 CKEB CCCCCCCCCCCC(=O)c1ccccn1 100297800 NIEKSWJGRZTVOV-UHFFFAOYSA-N 261.409 5.185 30 40 CKEB CCCCCCCCC1=NCCc2c1[nH]c1ccccc21 2124200 FRWSJEDRXVVAST-UHFFFAOYSA-N 282.431 5.264 30 40 CKEB biogenic Cc1ccc(C)c(C(=O)/C=C/Nc2cccc(Cl)c2C)c1 44844588 CHFDBXHOTKPSEZ-MDZDMXLPSA-N 299.801 5.074 30 40 CKEB CCCCCCCCC#CCCCCCCCC(=O)OC 100009921 VGXHOYHYUMFLPG-UHFFFAOYSA-N 294.479 5.644 30 40 CKEB biogenic CCCCCCCCCCCCCC(=O)c1cccs1 101475278 PKZFXANDBXVDRM-UHFFFAOYSA-N 294.504 6.632 30 40 CKEB CCCCCCCCNCc1ccc(-c2ccccc2)cc1 105342731 HDLUNZPYCVVOJG-UHFFFAOYSA-N 295.470 5.804 30 40 CKEB CCCCCCCC[C@@H](CO)CCCCCCC 140095822 RJCZAHGCMKCXGE-KRWDZBQOSA-N 256.474 5.706 30 40 CKEB CCCCCCCCCCCCCCOCCCN 84708270 XIFDDGOEJJEZBQ-UHFFFAOYSA-N 271.489 5.053 30 40 CKEB CC(C)/C(=N\N=C(\c1ccccc1)C(C)C)c1ccccc1 17043029 SAZJQRZEFJJZJF-FLFKKZLDSA-N 292.426 5.192 30 40 CKEB CCC[C@H](C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C 17300594 MICHKAJGIMUFNA-KDSBZSBUSA-N 287.234 5.021 30 40 CKEB CCCCCCCCCCCCCC(=O)OCCC 43523731 DPBVJRXPSXTHOL-UHFFFAOYSA-N 270.457 5.641 30 40 CKEB C=C1CC2=C(CC1=C)C1c3ccccc3C2c2ccccc21 71788868 YNGNIIVPBAQTFI-UHFFFAOYSA-N 282.386 5.480 30 40 CKEB C=CCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 95902337 DGVXPAARKQYHOY-UHFFFAOYSA-N 250.385 5.380 30 40 CKEB CCCCCCCCCCCCC(=O)c1ccccn1 100300518 WULLBZVBTURUNX-UHFFFAOYSA-N 275.436 5.575 30 40 CKEB C(=N\c1ccccc1)\c1cccc(OCc2ccccc2)c1 409213430 VAEADAGXNGNUIV-QNGOZBTKSA-N 287.362 5.016 30 40 CKEB C(#Cc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1 72283909 UIWXLKXVVDEMKD-ACCUITESSA-N 280.370 5.257 30 40 CKEB CCCCCCCCCCCCCCCC(C)(C)O 100306176 FMPFPPIRHUYHKY-UHFFFAOYSA-N 270.501 6.239 30 40 CKEB CCCCCCCCCCN1CCO[C@@H](CCCC)C1 100923437 YCYNWTKRLWRQRU-SFHVURJKSA-N 283.500 5.018 30 40 CKEB CCCCCCCNCc1ccc(-c2ccc(F)cc2)o1 102561058 QYUHUANXTRAVRI-UHFFFAOYSA-N 289.394 5.146 30 40 CKEB N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 348311 PEZGDJUNFHFXID-UHFFFAOYSA-N 271.319 5.018 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](O)CN 100235203 GVERIJPZBUHJMT-GOSISDBHSA-N 285.516 5.177 30 40 CKEB CCCCCCCCCCCC1CCC(CC(=O)O)CC1 100910980 BVDBURWIZAKBFY-UHFFFAOYSA-N 296.495 6.188 30 40 CKEB COc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C 8277794 LLPUGTJOYLEEKA-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccco1 33378802 QURKMPLWUBYYQJ-QXMHVHEDSA-N 298.341 5.482 30 40 CKEB Fc1cccc(/C=N/c2ccc(NC3CCCCC3)cc2)c1 1027628 SLKFAEPFQYWQBG-KGENOOAVSA-N 296.389 5.321 30 40 CKEB CCCCCCCP(=O)(O)CCCCCCC 2023377 XGVCGGYVDCBIQH-UHFFFAOYSA-N 262.374 5.198 30 40 CKEB Cc1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)c(Cl)c1 44844219 GNRFKNDKXXYHBQ-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB C=C(C)C[C@@H](C)CCCCCCCCCCCC 101105503 MWUUQILOAYQBGT-SFHVURJKSA-N 252.486 6.900 30 40 CKEB C/C=C\C(=O)OCCCCCCCCCCCC 104071920 PJJDTHSONOWIIH-CPSFFCFKSA-N 254.414 5.027 30 40 CKEB Cc1ccc2nc(-c3ccc(N=[N+]=[N-])cc3)sc2c1 196777574 DCDLXRUGKUKJGT-UHFFFAOYSA-N 266.329 5.214 30 40 CKEB O=C(/C=C/c1ccco1)c1ccc2oc3ccccc3c2c1 4866091 VVSFMONWHCIRFH-CMDGGOBGSA-N 288.302 5.075 30 40 CKEB CCCCCCCCCCC(=O)c1cccc(C)c1O 100921964 CCRRMVPQYRMVEK-UHFFFAOYSA-N 276.420 5.414 30 40 CKEB CC(C)(C)C[C@@H](S)c1ccc(C(C)(C)C)cc1 5283971 YZMHKFIPNZUZQO-CQSZACIVSA-N 250.451 5.391 30 40 CKEB O/N=C1\CCCCCCCCCC[C@H]1Nc1ccccc1 5338435 IXBWCBRKVRWDNS-QTIQAUKSSA-N 288.435 5.212 30 40 CKEB C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O 5844406 REOZWEGFPHTFEI-HZPDHXFCSA-N 286.415 5.066 30 40 CKEB biogenic CCCCCCCCCC(=O)c1cc(F)cc(F)c1 101472385 CYMRMWIFKYEIKM-UHFFFAOYSA-N 268.347 5.288 30 40 CKEB CCCCCCCCC(=O)Oc1ccc2ccccc2c1 2508010 MKROVNPMTNPUNZ-UHFFFAOYSA-N 284.399 5.496 30 40 CKEB CC1(C)C/C(=C\c2cccc(Cl)c2)C(=O)c2ccccc21 5105221 CUPIIURISRGLHN-GXDHUFHOSA-N 296.797 5.288 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1ccc2ccccc2c1O 32101701 URKWANFNACLGJH-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCCOC(=O)Nc1ccc(C)cc1 3163834 CQBWCDQGBAFSRO-UHFFFAOYSA-N 291.435 5.684 30 40 CKEB C#CC[N+](CCCC)(CCCC)CCCCCCCC 103013879 GZIRWULTFYZLJK-UHFFFAOYSA-N 280.520 5.397 30 40 CKEB CCCCCCCCNCc1ccc(-c2ccccc2)o1 105343729 ZWEOFGWJUVNORA-UHFFFAOYSA-N 285.431 5.397 30 40 CKEB CCc1ccccc1N/C=C1\C[C@H](C(C)(C)CC)CCC1=O 408562817 DMUISTVRNWYTOE-FYPAKXHLSA-N 299.458 5.350 30 40 CKEB Clc1nc2ccccc2cc1/C=N/C1CCCCCC1 3445864 UWSMLSMWSQUFEH-XDHOZWIPSA-N 286.806 5.030 30 40 CKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1C 408779537 XYZJTRASCANVPN-KGENOOAVSA-N 288.394 5.060 30 40 CKEB C#CC#CCCCCCCCCCCCCCCCC 102141617 XPXSKYOUTDBHPI-UHFFFAOYSA-N 274.492 6.494 30 40 CKEB c1ccc(SCc2ccc(N=C3CCCC3)cc2)cc1 6344562 OGGCYCLISIRWOV-UHFFFAOYSA-N 281.424 5.625 30 40 CKEB CCCCCCCCCCC(=O)c1ccc(C)cc1O 100921972 ZJGOMJAOEMYIMG-UHFFFAOYSA-N 276.420 5.414 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)O1 34126008 IGGWKHQYMAJOHK-BDUQCRIQSA-N 290.491 5.743 30 40 CKEB CCCCCCCCCCCCCCCCOC(=O)CC 43382038 RSRQBSGZMPVCOI-UHFFFAOYSA-N 298.511 6.421 30 40 CKEB CCCCCCCCCCCCCCC[C@@H](C)C(=O)O 59518908 IZUAKSAWRVFBPE-QGZVFWFLSA-N 284.484 6.188 30 40 CKEB CCCCCC[C@](C)(O)C#Cc1cc(Cl)cc(Cl)c1 95632925 GOKCWKMHDXJXFH-INIZCTEOSA-N 299.241 5.066 30 40 CKEB C=C1C[C@@H](C[C@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 101138283 NNOLCPLJEUHKPQ-BDUQCRIQSA-N 290.491 5.909 30 40 CKEB FC(F)(F)c1cccc(/N=C\c2ccc(Cl)cc2)c1 143338 SKCFJRGBEPRISN-OCKHKDLRSA-N 283.680 5.109 30 40 CKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1cccc(Cl)c1C 32100447 PMFZSWCCFKNBFM-ACCUITESSA-N 299.801 5.155 30 40 CKEB Cc1ccc([S@+](/C=C/C(F)(F)F)c2ccccc2)cc1 72194272 WSYVDYFLCAHAHH-SGWGQVFISA-N 295.349 5.107 30 40 CKEB Oc1ccc2ccccc2c1/C=N\c1ccc(F)c(Cl)c1 100248268 LQTFTYRUIIQDBU-JMIUGGIZSA-N 299.732 5.089 30 40 CKEB N#Cc1ccccc1CSc1cccc2ccccc12 409179250 QTBHFUCSWYERKT-UHFFFAOYSA-N 275.376 5.004 30 40 CKEB CCCCCCCCCC(C)CCCCCCCCC 103600935 MIKKTERVKUURCM-UHFFFAOYSA-N 282.556 7.904 30 40 CKEB Clc1ccc(N/N=C/C=C/c2ccccc2)cc1Cl 3265195 BNMDLWJCYJUVLX-UOMISXDJSA-N 291.181 5.105 30 40 CKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C\CO 17175358 YHXQJKUUMBTWSB-AXRPQZMBSA-N 290.491 5.814 30 40 CKEB CCCCc1ccc(/N=C/c2cc(C)n(CC)c2C)cc1 409106973 PIFDQYZDOUWIMW-XSFVSMFZSA-N 282.431 5.218 30 40 CKEB CCCCCCCCCCCCSC1=CCCN1 1673368 ZGGBONCXSDTPTH-UHFFFAOYSA-N 269.498 5.475 30 40 CKEB CCCCCCCCc1ccc(-c2ccccc2)cc1 2145695 KCLBLDDJJJNGBC-UHFFFAOYSA-N 266.428 6.257 30 40 CKEB in-vitro Cc1cccc(/C=N/N(c2ccccc2)c2ccccc2)c1 4924228 VFDIEMHOXHMHKN-LTGZKZEYSA-N 286.378 5.167 30 40 CKEB CC(C)c1ccc(/C=N\N=C\c2ccc(C(C)C)cc2)cc1 5048773 PJIGTEXYLLRIRT-VOKWCDJLSA-N 292.426 5.386 30 40 CKEB CCCCCCCCOc1ccc(N)cc1C(F)(F)F 100473521 YMIZUSGGVHOLQL-UHFFFAOYSA-N 289.341 5.027 30 40 CKEB CCCCCCCCCCC[C@H](O)c1cccc(C)c1O 101460527 YLVKJLIBAMKWDH-SFHVURJKSA-N 292.463 5.655 30 40 CKEB C=CC[C@@H]1Nc2ccccc2C=C1c1ccc2ccccc2n1 4043429 YFKMFIUNLASCNP-FQEVSTJZSA-N 298.389 5.146 30 40 CKEB CCCCCCC(=O)/C=C\CCCCCCCCC(=O)O 31778287 HOGGRKZIIRPLLG-QINSGFPZSA-N 296.451 5.288 30 40 CKEB CC1(C)C(C)(C)C1(Cl)C#CC12CC3CC(CC(C3)C1)C2 49581152 LRSILEKKKWAPNP-UHFFFAOYSA-N 290.878 5.250 30 40 CKEB CCCCCC/C=C/C=C/CCCCCCCC(=O)OC 101657414 KVIWYYOMPLJRMC-BNFZFUHLSA-N 294.479 5.973 30 40 CKEB CC(C)=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 107635647 JSBDIMRVKKCQLA-UHFFFAOYSA-N 267.416 5.267 30 40 CKEB C=C(C)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C 95902317 YBAFGCVGJFBPRG-UHFFFAOYSA-N 258.449 6.175 30 40 CKEB Cc1ccc(/N=C/c2c(O)cc(C)c(Cl)c2C)cc1C 226387 UVYOVBUXMUAVMD-DJKKODMXSA-N 287.790 5.030 30 40 CKEB CCCCCCC1CCC(c2ccc(C#N)cn2)CC1 3065689 XWPWWCKZSIBKFD-UHFFFAOYSA-N 270.420 5.197 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(C)s1 5795655 XLDOFYQVLPCHRI-SCDSTIRESA-N 285.437 5.305 30 40 CKEB O=C(/C=C\c1ccc(-c2ccccc2)cc1)c1ccccc1 17212262 WUPSFOFYQONBKI-SSZFMOIBSA-N 284.358 5.250 30 40 CKEB CCCCCCCCCCCC(=O)c1ccccc1CC 101473392 HUTUMZGLZFJYHG-UHFFFAOYSA-N 288.475 6.353 30 40 CKEB CCCCCCCCCCC#Cc1cc(Cl)ccc1C 101733150 ZXAMVBJINCXPSH-UHFFFAOYSA-N 290.878 6.531 30 40 CKEB Clc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 408852401 KJBKXTXJFYGPDM-ZHZULCJRSA-N 298.817 5.081 30 40 CKEB Cc1ccccc1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 71977131 MXOXLDOVAJACCN-SDNWHVSQSA-N 278.395 5.189 30 40 CKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CO1 253505173 ANNNCUHEIXOQTD-RVXCPRFISA-N 288.475 5.188 30 40 CKEB C=CCCCCCCCCC(=O)OCCc1ccccc1 5157647 BXLGKICTKQVKQF-UHFFFAOYSA-N 288.431 5.079 30 40 CKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 5782589 DWOGTEVJXFJOLJ-LICLKQGHSA-N 285.218 5.362 30 40 CKEB CCCCCCCCCCC[C@@H]1CCCC(=O)O1 85925492 ZMJKQSSFLIFELJ-OAHLLOKOSA-N 254.414 5.003 30 40 CKEB CCCCCCCCCC1=NCCc2c1[nH]c1ccccc21 1816936 LQJMWNWGKLDCLN-UHFFFAOYSA-N 296.458 5.654 30 40 CKEB biogenic CCCCCCCCCCCC(=O)NC1CCCCC1 97941772 PWCQPZXIOHVZCC-UHFFFAOYSA-N 281.484 5.356 30 40 CKEB CCCCCCCCCCCC(=O)c1cc(O)ccc1O 101005015 PUWMOPJNSOUXBD-UHFFFAOYSA-N 292.419 5.201 30 40 CKEB CCCCCCCCC(=O)c1cccc(SC)c1 101474900 OFPOQTSYMVFOSL-UHFFFAOYSA-N 264.434 5.342 30 40 CKEB CCCCCCCCCCC(=O)CCCCCCC 103652967 IAIYDMODPGGWBM-UHFFFAOYSA-N 268.485 6.447 30 40 CKEB Cc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 6339378 BZVVNZMNGDYQTR-FOCLMDBBSA-N 298.385 5.558 30 40 CKEB O=C(/C=C\C=C/c1ccccc1)/C=C/C=C\c1ccccc1 8580401 RLJALOQFYHCJKG-XGEJYKETSA-N 286.374 5.095 30 40 CKEB C=C(C)[C@H]1CCC(C)=C1CC(C)(C)/C=N/Cc1ccco1 518236 WJNXJWPKPRITFS-UOBPLZBXSA-N 285.431 5.569 30 40 CKEB biogenic CCCCCCCCCCC(=O)Oc1cccc(C)c1C 2065808 LODHKDUAGZKWFI-UHFFFAOYSA-N 290.447 5.740 30 40 CKEB CCCCCCCC(=O)Nc1c(Cl)cccc1Cl 3190744 VYTIVPQFORIIIK-UHFFFAOYSA-N 288.218 5.292 30 40 CKEB CCCCCCCCCCCCCC[C@H](C)CC 100305288 HPDKJRSKBCPMIY-GOSISDBHSA-N 254.502 7.124 30 40 CKEB C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 101124663 IGGWKHQYMAJOHK-FLFBIERCSA-N 290.491 5.743 30 40 CKEB CCCCCCCCCCC[C@@H]1OCC[C@@H](C)O1 104370735 MXKDOMWUEBTZDD-HZPDHXFCSA-N 256.430 5.059 30 40 CKEB CCCCCCCCCCC(=O)Nc1ncccc1Cl 2086302 OAHXAVMPHGLHGK-UHFFFAOYSA-N 296.842 5.204 30 40 CKEB C=C(C)[C@@H]1C[C@H](CC)C(C)=C1CC[C@@H](C)OC(=O)C(C)C 4783328 UUFPXEQEJWULTJ-HFTRVMKXSA-N 292.463 5.293 30 40 CKEB O=C(/C=C/c1ccccc1F)c1ccc(Cl)cc1Cl 71976915 FSGCBECJQXTPHJ-VMPITWQZSA-N 295.140 5.029 30 40 CKEB CCCCCCCCCCCCCC(=O)C(=O)CC 100304276 UOELRXDXUATFCT-UHFFFAOYSA-N 268.441 5.236 30 40 CKEB CCCCCCCCCCNc1cc(C)nc(=S)[nH]1 102435962 MASILTVTUMCIPY-UHFFFAOYSA-N 281.469 5.000 30 40 CKEB CC1=C/C(=N/N=C2/C=C(C)CC(C)(C)C2)CC(C)(C)C1 5497466 XJEYYLXANADAGE-IKBKFCNISA-N 272.436 5.316 30 40 CKEB Clc1ccc(/C=N/c2cccc3ccccc23)s1 408968384 YHURJLKLBMFDDW-LICLKQGHSA-N 271.772 5.305 30 40 CKEB CCCCCCCc1ccc(C(=O)c2ccc(C)cn2)cc1 100593290 BPBLVFCGIKHWLH-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1c(Cl)cccc1Cl 409200167 HGPPSXWSOHHONT-QGMBQPNBSA-N 298.600 5.706 30 40 CKEB Cc1ccc(/N=C(/Nc2ccccc2)c2ccccc2)cc1 5588237 OCDRNZKRTCCEDC-UHFFFAOYSA-N 286.378 5.185 30 40 CKEB CCCCCCCCN(C#N)CCCCCCCC 104347397 MRBAYGCQRZGHFC-UHFFFAOYSA-N 266.473 5.490 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 4802489 CECREIRZLPLYDM-CUDHKJQZSA-N 290.491 5.502 30 40 CKEB C/C=C/C=C/C(=O)OCCCCCCCCCCCC 104345908 SUWOMTFOTLRLNL-NYOCTHIRSA-N 280.452 5.583 30 40 CKEB N#Cc1sc2ccccc2c1OCc1cccc(Cl)c1 1404644 LVPNSOXMOFXCKK-UHFFFAOYSA-N 299.782 5.005 30 40 CKEB CCCCCCCCCCCC[C@H]1CCC[C@@H](C)C1 100304141 IBPYRQACWYCFPT-MOPGFXCFSA-N 266.513 7.124 30 40 CKEB CCc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 32125533 FMFFMXVPSNPAAY-NTEUORMPSA-N 278.395 5.269 30 40 CKEB CCCCCCCC(=O)c1ccccc1OC(F)(F)F 101475673 STHFNBRGZOPTHK-UHFFFAOYSA-N 288.309 5.128 30 40 CKEB CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1 6880845 QIUIEQFNBJLELN-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCC(=O)c1ccc(C)cc1C 101473007 MBMDQTDZFYRROS-UHFFFAOYSA-N 260.421 5.627 30 40 CKEB CC(C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 17970176 NXPNIIVDSSUDBB-RCCKNPSSSA-N 292.426 5.161 30 40 CKEB C=CS(=O)(=O)CCCCCCCCCCCCCC 104157992 QJYHAZDPYDOREK-UHFFFAOYSA-N 288.497 5.246 30 40 CKEB CCCCCCCCCCCCN1C[C@H](C)O[C@@H](C)C1 43065395 SBUKOHLFHYSZNG-ROUUACIJSA-N 283.500 5.017 30 40 CKEB in-vitro Cc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1Cl 100105833 LYHMECVACVGLBT-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB Cc1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)cc1 2924275 KYKSRCVSGJRONH-HAVVHWLPSA-N 295.385 5.145 30 40 CKEB Fc1ccc(C(=Nc2ccccc2)c2ccc(F)cc2)cc1 3184482 XGZHZJLHOAZJNC-UHFFFAOYSA-N 293.316 5.134 30 40 CKEB COc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1 100018782 AFAJHWLHSQIELD-HMAPJEAMSA-N 299.373 5.017 30 40 CKEB CCOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1 244700 WSFIOOVAYGHMCZ-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB Clc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)s1 408966725 NTEJQHKFXHCYPE-XDHOZWIPSA-N 297.810 5.819 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Cl)cc1Cl 409210228 IRWHXAVMNJWVRD-QGMBQPNBSA-N 298.600 5.706 30 40 CKEB C=C(C)CN(c1ccccc1)C1CCCCCCC1 1709185 KQRVHXSKXBEPRO-UHFFFAOYSA-N 257.421 5.182 30 40 CKEB CCCCCCCC/N=N/[C@@H](C)CCCCC(=O)OCC 104103778 YIQKDVXOIHTLMS-RUNIHZNKSA-N 298.471 5.311 30 40 CKEB CCCCCCCCCC[C@@H](O)CCCCCCCC 102999237 HLHQTVSGPIZGAW-IBGZPJMESA-N 284.528 6.629 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(C)C)cc1 17780382 BGYWIPPCORRYFW-CIAFOILYSA-N 295.426 5.698 30 40 CKEB CCCCCCCCC[C@@H]1OCC(C)(C)[C@@H](C(C)C)O1 100301421 FCAVVOPVRVMADY-IAGOWNOFSA-N 284.484 5.551 30 40 CKEB N#Cc1cncc(Oc2c3ccccc3cc3ccccc23)c1 685937690 OHIYSRIWBFPBSL-UHFFFAOYSA-N 296.329 5.052 30 40 CKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccccc1Cl)CC2 6790746 KPUVSXZSMVJKCK-RVDMUPIBSA-N 296.797 5.169 30 40 CKEB CCCCCCCCc1ccc(C(=O)C(F)(F)F)cc1 59520413 YHLXECJFEDQLFL-UHFFFAOYSA-N 286.337 5.335 30 40 CKEB C=C(Br)CCc1ccccc1-c1ccccc1 71795150 CZVARLCNCLANLR-UHFFFAOYSA-N 287.200 5.195 30 40 CKEB CCCCCCCCCCC1O[C@@H](C)C[C@@H](C)O1 1590096 TXANYHCPKPNEDA-XYPWUTKMSA-N 256.430 5.057 30 40 CKEB Cc1cccc(/N=C/c2cccc3ccccc23)c1C 409217913 RPKWZDRUOWWKGD-DEDYPNTBSA-N 259.352 5.207 30 40 CKEB CC1(C)CC(=O)C2=C(C1)C[C@]1(C)CC(C)(C)C[C@@]2(Cl)C1 4127724 SQQIERGXMVUMSE-QZTJIDSGSA-N 294.866 5.270 30 40 CKEB O=C(/C=C/c1cccc2ccccc12)c1ccccc1Cl 16957583 WXNBNBAXTJIKSU-OUKQBFOZSA-N 292.765 5.389 30 40 CKEB CCCCCCC[C@H]1O[C@H]1CCCCCCCCC(=O)O 100297324 HPQKQYUHTBMKOE-SJORKVTESA-N 298.467 5.320 30 40 CKEB CCCCCCCCCc1ccc2ccc(CC)c(O)c2n1 100935855 TUKVUPDQGHXJCP-UHFFFAOYSA-N 299.458 5.796 30 40 CKEB O=C(/C(=C\c1ccccc1)c1ccccc1)c1ccccc1 5700242 IOGCSUPDVDJIOL-SILNSSARSA-N 284.358 5.110 30 40 CKEB C=CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Cl 8368647 IUDPQFXBLDSMRU-UDWIEESQSA-N 299.801 5.272 30 40 CKEB CCCCCCCCc1ccc(-c2ccc(O)cc2)nc1 8440037 FQMSHHKLVWFXEE-UHFFFAOYSA-N 283.415 5.357 30 40 CKEB CCCCCCCCCCCCCC[C@H]1CCC(=O)O1 49878342 GYDWWIHJZSCRGV-KRWDZBQOSA-N 282.468 5.783 30 40 CKEB CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)O 72400264 YVWMHFYOIJMUMN-HSINTONASA-N 294.435 5.064 30 40 CKEB in-vitro Cc1cc(C)c(/C=C/C(=O)c2cc3ccccc3o2)c(C)c1 6902603 PRLZBARADQQPFH-CMDGGOBGSA-N 290.362 5.254 30 40 CKEB C=C(CCCCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17021116 QNXBBKTWQSKPNC-NTMALXAHSA-N 297.225 5.712 30 40 CKEB CCCCCCCCCCCCOc1ccccc1C=O 100311456 FKZSPBKGUNSVCV-UHFFFAOYSA-N 290.447 5.799 30 40 CKEB CCCCCCCCCCC#Cc1cc(C)cc(C)c1 101734886 QEVONMCMXABHLV-UHFFFAOYSA-N 270.460 6.186 30 40 CKEB CC(=C/c1ccccc1)/C=N/c1c(C)ccc(C(C)C)c1O 17312093 GAFPREISOZXBSX-IALJSVHUSA-N 293.410 5.630 30 40 CKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccccc1C(C)C 32100425 FKLOPFTXPKWKCV-DTQAZKPQSA-N 293.410 5.317 30 40 CKEB CCCCCCCc1ccc(C(=O)C(C)(C)CC)cc1 575357636 UXQBXBHAMYCNTA-UHFFFAOYSA-N 274.448 5.818 30 40 CKEB CCCCCCCCCC(=O)Nc1cccc2cccnc12 8453338 SPQKAOQODRONMG-UHFFFAOYSA-N 298.430 5.314 30 40 CKEB C(#Cc1ccc2c(c1)sc1ccccc12)c1ccccc1 4367927 ZAXKAQOPTNPEEV-UHFFFAOYSA-N 284.383 5.454 30 40 CKEB C=C[C@](C)(O)C[C@H](C)CCCCC[C@H](C)CCCC(C)C 32218661 IOLVAUYSSNEWQQ-ZCNNSNEGSA-N 296.539 6.363 30 40 CKEB O=C1CCC/C1=C/Nc1ccc(N=Nc2ccccc2)cc1 409181896 GOUXNLIBSZVSLI-AXMGIQJCSA-N 291.354 5.151 30 40 CKEB Cc1ccc(N/N=C/c2cccc3ccccc23)cc1Cl 5417264 MRIIPKNACRGSEI-UDWIEESQSA-N 294.785 5.248 30 40 CKEB Cc1cc(F)ccc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318708 CGGJITUXGQSHOX-ZHACJKMWSA-N 297.373 5.066 30 40 CKEB C=C(CCCCCCCCCCCCCCCC)C(=O)O 104155798 RKQDHVGICBPMIZ-UHFFFAOYSA-N 296.495 6.499 30 40 CKEB CC(C)(C)C(=O)/C=C/Nc1ccc(Oc2ccccc2)cc1 199434138 ZXPYEVAIIMCCMK-BUHFOSPRSA-N 295.382 5.020 30 40 CKEB Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1Cl 13115418 FSVCENMCHWGXLL-KHPPLWFESA-N 295.769 5.026 30 40 CKEB CCCCCCC#Cc1ccc(OC(C)(C)C)cc1 101732684 OSSGEAKUVYMCGB-UHFFFAOYSA-N 258.405 5.186 30 40 CKEB CCCCCCCc1ccc(C(=O)c2ccc(C)nc2)cc1 100594579 MFIJQLZMHZMKHV-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB C(=N/c1ccc2ccccc2c1)\c1cccc2ccccc12 3152201 ZGJORAJLXVEZJQ-PXLXIMEGSA-N 281.358 5.744 30 40 CKEB CCCCCCCCCCCCCCCC[C@H](O)CO 100044162 XWAMHGPDZOVVND-SFHVURJKSA-N 286.500 5.211 30 40 CKEB in-vitro CCCCCCCCC(=O)CCCCCCCCC(=O)O 73387472 BGKROBBCCGUUCF-UHFFFAOYSA-N 298.467 5.512 30 40 CKEB endogenous,in-man CCCCCCCC/N=N\[C@H](C)CCCCC(=O)OCC 104103782 YIQKDVXOIHTLMS-OZNQOIHVSA-N 298.471 5.311 30 40 CKEB Cc1ccccc1/N=C/c1cc(C)n(C2CCCCC2)c1C 408740147 IWQBEBPGDHSYQJ-KGENOOAVSA-N 294.442 5.669 30 40 CKEB CCCCCCCc1ccc(C(=O)c2cc(C)ccn2)cc1 100593495 RASVOTSSNLJMOG-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB CCCCCCCC#Cc1ccc(-c2ccccc2)cc1 101734640 RDEBAJTYDXDKQM-UHFFFAOYSA-N 276.423 6.066 30 40 CKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CO1 118916237 ANNNCUHEIXOQTD-LFGUEBOJSA-N 288.475 5.188 30 40 CKEB Cc1ccccc1C(=O)/C=C/c1c(Cl)cccc1Cl 5218711 GTQTUJZTAPVRGL-MDZDMXLPSA-N 291.177 5.198 30 40 CKEB O=C(/C=C/c1ccccc1Cl)c1cccc2ccccc12 5669592 VCEPBNDYZZBYQS-OUKQBFOZSA-N 292.765 5.389 30 40 CKEB CCCCCCCCCCCCCCC[N+](C)(C)C 60138521 FSWHKYOVBASSCG-UHFFFAOYSA-N 270.525 5.784 30 40 CKEB Cc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 71977074 GVTRXCOXVCZWSA-VQHVLOKHSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCCCCc1ccc(O)cc1 100118533 PBFGGYXTTPKAHK-UHFFFAOYSA-N 290.491 6.636 30 40 CKEB CCCCCCCC[C@H](CO)CCCCCCC 140095681 RJCZAHGCMKCXGE-QGZVFWFLSA-N 256.474 5.706 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1c(Cl)cccc1Cl 59513972 KEWRWOKPBRHBQD-QGMBQPNBSA-N 298.600 5.706 30 40 CKEB COc1ccc(/C=N/c2ccccc2Cl)c2ccccc12 46012 HRGJYZMAJGUJHM-UDWIEESQSA-N 295.769 5.252 30 40 CKEB CCCCCC1CCC(c2ccc(C#N)cc2)CC1 2545389 FURZYCFZFBYJBT-UHFFFAOYSA-N 255.405 5.412 30 40 CKEB C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCC)cc1O 5844415 REOZWEGFPHTFEI-CVEARBPZSA-N 286.415 5.066 30 40 CKEB biogenic CCCCCCCCCCCCOC(=O)CC(C)C 79553977 DEHIFZZMFPRYNH-UHFFFAOYSA-N 270.457 5.497 30 40 CKEB COc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1C 409212619 RMEKWVYZFCNRHS-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB N#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 22013748 FWPDVKDTOHKZQS-UHFFFAOYSA-N 270.335 5.028 30 40 CKEB CCCCCCCCCOc1ccc(C(C)=O)c(F)c1 2512284 CUJWMNOBXKQCCF-UHFFFAOYSA-N 280.383 5.158 30 40 CKEB CCCCCCCCCCCCCCNCC[C@@H](C)O 59660580 UGXJCRVJODURNQ-GOSISDBHSA-N 285.516 5.048 30 40 CKEB CCCCCCCCCCCC[C@H](C)C[C@H](CN)N(C)C 228970309 OGKFOZYEYIRZNK-RBUKOAKNSA-N 298.559 5.213 30 40 CKEB Cc1ccc(C(=Nc2ccccc2)c2ccc(C)cc2)cc1 5380434 HVIQSSVGQVDWLD-UHFFFAOYSA-N 285.390 5.473 30 40 CKEB C=C(Br)Cc1c(C)cc(C(C)(C)C)cc1C 71795197 DBNCEKXZURELHD-UHFFFAOYSA-N 281.237 5.052 30 40 CKEB CCCCCCCCCCC#Cc1ccc(CCCC)cc1 101735186 FATNRZWAQQHFOU-UHFFFAOYSA-N 298.514 6.912 30 40 CKEB C[C@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 17992435 YKSJJIVIUQUODD-JBCNATCCSA-N 298.389 5.148 30 40 CKEB CCCCCCCc1ccc(C(=O)CC(C)C)cc1 202672810 KKGZODZCDXTKHY-UHFFFAOYSA-N 260.421 5.428 30 40 CKEB Cc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 6868290 GIJSNCFEMSUPQS-RMKNXTFCSA-N 291.177 5.198 30 40 CKEB CC[C@@H](C)CCCC/C=C\CCCCCCC=O 31361482 HSGUJTMCFWXGAP-XTKXOIQPSA-N 252.442 5.689 30 40 CKEB CCCCCCCCCCCC(=O)c1c(O)cccc1O 1622614 WPFIJMIBEGNIHW-UHFFFAOYSA-N 292.419 5.201 30 40 CKEB biogenic C=CC(=C)CC[C@@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 2113746 JTWQQJDENGGSBJ-ZULIPRJHSA-N 290.491 5.502 30 40 CKEB in-vitro,metabolite C=CCCCCCCn1c(=S)oc2ccccc21 2180777 CULOPTMQGCXLKU-UHFFFAOYSA-N 261.390 5.100 30 40 CKEB C(/C=C/c1ccccc1)=N/c1ccc2c(c1)Cc1ccccc1-2 17147023 KNNZYQMTSPFAGR-ROPAZMDISA-N 295.385 5.674 30 40 CKEB in-vitro CCCCCCCCNCc1c(Cl)cccc1Cl 102562044 PMNBJXITQKQBJQ-UHFFFAOYSA-N 288.262 5.444 30 40 CKEB CCc1cccc(C)c1N/C(C)=C/C(=O)c1ccc(C)cc1 32100411 FIMFULPAYYUBEQ-DTQAZKPQSA-N 293.410 5.064 30 40 CKEB CCCCCCCCCCCCCCCCNC[C@H](C)O 82045685 PJJWFLQTCVHCIU-IBGZPJMESA-N 299.543 5.438 30 40 CKEB CCCCCCCCCCCCCCCC1=NCCN1C 104272103 CWPLKSRFYARTNU-UHFFFAOYSA-N 294.527 5.812 30 40 CKEB Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 575375 OKTCMRASVBGOOL-RQZCQDPDSA-N 264.155 5.052 30 40 CKEB CCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)cc1 1229183 ZHVMRUYBHYYPOZ-KGENOOAVSA-N 294.442 5.209 30 40 CKEB CCCCCCCCCCCOc1ccccc1Cl 1732345 XIJWAZHAAUGZQC-UHFFFAOYSA-N 282.855 6.250 30 40 CKEB Cc1ccc(/N=C/C=C/Nc2ccc(C)cc2C)c(C)c1 5337139 BDFYGAYWWNAQCT-YKNXMEGYSA-N 278.399 5.248 30 40 CKEB Cc1ccc(Cl)c(/N=C/c2c(O)ccc3ccccc23)c1 100248263 AYQYWGWPBAJTQE-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCNCc1ccc(Cl)cc1Cl 102562047 XJOBHWGDDNURDI-UHFFFAOYSA-N 288.262 5.444 30 40 CKEB CCCCCCCCCCCCCCSCCO 104158578 HROSXDVULOBNMU-UHFFFAOYSA-N 274.514 5.413 30 40 CKEB CCCCCCCCCC(=O)Nc1ccccc1CC 1732599 VDWYKBRRKRRUCR-UHFFFAOYSA-N 275.436 5.328 30 40 CKEB C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C/C=C\C(C)(C)O)C[C@@H]12 34689068 VGVBCHZWSHUBLW-AQWZLMRDSA-N 288.475 5.423 30 40 CKEB Cc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 71977173 GBMKRSZNWCLFGR-JLHYYAGUSA-N 278.395 5.189 30 40 CKEB CC1=C/C(=N\[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 4430708 MXMBEEGCFXGYPY-QSPFEFCHSA-N 261.453 5.409 30 40 CKEB CCCCCCCCCCC(=O)c1ccnc(Cl)c1 100297258 HWRWBLNDDNSYSP-UHFFFAOYSA-N 281.827 5.449 30 40 CKEB CCn1c(C)cc(/C=N\c2ccc(Cl)cc2Cl)c1C 409106918 PZAYTYXBNIQZQM-NVMNQCDNSA-N 295.213 5.182 30 40 CKEB CCCCCCCCCC/C=C/CCCCCC(=O)OC 103682411 XMONTNNUOWTMGE-OUKQBFOZSA-N 296.495 6.197 30 40 CKEB C=CC(=C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 1888148 JTWQQJDENGGSBJ-QGZVKYPTSA-N 290.491 5.502 30 40 CKEB in-vitro,metabolite CCCCCCCc1ccc(C(=O)c2cnccc2C)cc1 100594401 MQDNZJBZBXKVMG-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB COc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 409211118 MVERPVMAQJNJEF-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB CCCCCCCCCCCC[C@H](O)/C=C/CCC(=O)O 67911444 SCZSILIHRULXII-VMEIHUARSA-N 298.467 5.079 30 40 CKEB biogenic,in-vitro CCCCCCCCCCC(=O)Nc1ccc(F)cc1 97941771 IEUQWCHYTSSUCY-UHFFFAOYSA-N 279.399 5.295 30 40 CKEB CCCCCCCCCC(=O)c1ccc(OC)c(F)c1 101473503 QHLGVECXLMHSCK-UHFFFAOYSA-N 280.383 5.158 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(F)cc1 5677158 XCPDRDOQRFNUOT-KAKMCVKYSA-N 283.371 5.074 30 40 CKEB C=CCOCc1ccc(C(C)(C)CC(C)(C)C)cc1 1600793 BLUMLTIOAWXFOG-UHFFFAOYSA-N 260.421 5.103 30 40 CKEB CCc1ccc(/N=C/c2c(OC)ccc3ccccc23)cc1 8084060 HTMWUCLQDGJONC-KGENOOAVSA-N 289.378 5.161 30 40 CKEB CCCCCCC(/C=C/c1ccc(Cl)cc1)=N/O 104187843 MRPYNAJVTDJIBH-PCEKLBEFSA-N 265.784 5.154 30 40 CKEB CCCCCCCCP(=O)(O)CCCCCCCC 59617534 YTMRJBAHYSIRMZ-UHFFFAOYSA-N 290.428 5.978 30 40 CKEB CC(C)c1ccccc1/N=C/c1cccn1-c1ccccc1 408842733 AWEVAUFCTQHHKG-RCCKNPSSSA-N 288.394 5.351 30 40 CKEB Clc1cc(Cl)c(N/N=C/c2ccccc2)c(Cl)c1 4744398 VOVHIQWFBPFFMA-CAOOACKPSA-N 299.588 5.093 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)s1 71977087 QJGXAQCRLAOYPE-FNORWQNLSA-N 297.206 5.259 30 40 CKEB C(=N/[C@@H]1[C@H]2CCC[C@H]1C1=C(CCCC1)C2)\c1ccccc1 229944724 XFBAGFALBVWYDX-XBTULMQESA-N 279.427 5.165 30 40 CKEB CCC[C@@](C#N)(c1ccccc1)[C@H](C)c1ccccc1 1685694 REAODULDQASWNS-APWZRJJASA-N 263.384 5.052 30 40 CKEB C=CCCCCCCCCC(=O)Nc1cc(C)ccc1C 2065835 MNLBERWCWCSCQN-UHFFFAOYSA-N 287.447 5.549 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 71976912 OIHSHWJTTFKONB-RMKNXTFCSA-N 291.177 5.198 30 40 CKEB O=C(/C=C/Nc1ccccc1)c1ccc(-c2ccccc2)cc1 32100186 LZLTWISCHZLOIU-FOCLMDBBSA-N 299.373 5.162 30 40 CKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)c1 408760830 AFVLQWSSBJCTBS-KGENOOAVSA-N 288.394 5.153 30 40 CKEB CCCCCCCC[n+]1cccc2c3ccccc3ccc21 3151221 QAEVISBVCAQBHL-UHFFFAOYSA-N 292.446 5.641 30 40 CKEB CC(C)CCC[C@@H](C)CC1=C(O)[C@@H]2CCCC[C@@H]2C1=O 100238394 XJNQZMDASJMLKT-KFWWJZLASA-N 278.436 5.040 30 40 CKEB CCCCCCCCC(=O)c1cc(F)cc(Cl)c1 101471047 AAPYVEIZRORRHB-UHFFFAOYSA-N 270.775 5.412 30 40 CKEB CCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 44323797 SZKXTFXJAMTZJN-UHFFFAOYSA-N 288.218 5.292 30 40 CKEB Cc1c(C)c(C)c(C[P+](C)(C)c2ccccc2)c(C)c1C 71789904 GZGOZZOKRPPFTG-UHFFFAOYSA-N 299.418 5.331 30 40 CKEB C=CCSC(SCC=C)c1ccc(Cl)cc1 1672026 UJPBBGZAGMEANC-UHFFFAOYSA-N 270.850 5.177 30 40 CKEB CCCCCCCCCCC#CC#CCCCCC(=O)O 2567250 STCGDIJOEZNVHP-UHFFFAOYSA-N 290.447 5.169 30 40 CKEB CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccccc1C 8426961 MRXKAJQXWDBTPD-IRXDYDNUSA-N 287.447 5.320 30 40 CKEB CCCCCCCCCCCCCCCCSCC 100064870 GFMXRWVXIPEWQJ-UHFFFAOYSA-N 286.569 7.221 30 40 CKEB C(=N/[C@H]1[C@H]2CCC[C@H]1C1=C(CCCC1)C2)\c1ccccc1 245380958 XFBAGFALBVWYDX-ULMIKTQASA-N 279.427 5.165 30 40 CKEB Cc1sc(/N=C/c2cccc3ccccc23)c(C#N)c1C 4600055 AINNBLDIUVDZEA-RGVLZGJSSA-N 290.391 5.140 30 40 CKEB Cc1ccc2ccccc2c1C(=O)/C=C/c1ccccc1 83204350 PYSYTOYAYYCEEC-WYMLVPIESA-N 272.347 5.044 30 40 CKEB CCCCCCCC[C@H]1OC[C@@H](CC)[C@H](CCC)O1 104359951 IUSAOJXZVJPCML-IKGGRYGDSA-N 270.457 5.305 30 40 CKEB CCCCCCCC[C@@H](C)/C(C)=C/CC/C(C)=C/C(=O)O 2332242312 ALKVUQQKJHZCBE-FEVYAZFUSA-N 294.479 6.131 30 40 CKEB C=C[C@](C)(O)CC[C@@H]1CCC[C@H]2C(C)(C)CCC[C@]12C 19878804 VVUVZVUAPNPEDQ-PBWTXFEYSA-N 278.480 5.336 30 40 CKEB CCCCCCCCCC(=O)c1ccc(F)c(Cl)c1 101470968 UMNHRHNDTGUWKG-UHFFFAOYSA-N 284.802 5.803 30 40 CKEB N#CC1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 1707166 SMTWXCRTALXZBY-UHFFFAOYSA-N 293.369 5.073 30 40 CKEB CCCCCCCCC[C@@H](O)CCCCCCC 100140120 KAYMRANHJDGOQZ-KRWDZBQOSA-N 256.474 5.849 30 40 CKEB CCOc1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 65969 APBRQNDBRMYONR-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB C=C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 34126011 IGGWKHQYMAJOHK-UFHDJZAFSA-N 290.491 5.743 30 40 CKEB biogenic Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59302703 YYQPJUIWKWUOKZ-DEDYPNTBSA-N 294.785 5.190 30 40 CKEB c1ccc([C@@H]2Cc3ccccc3/C2=N/C2CCCCC2)cc1 16973347 AKMYNJLWHQZXQF-RZRVEKSFSA-N 289.422 5.148 30 40 CKEB C=CCCCCCCCCc1n[nH]c(SCCCC)n1 6783246 JMJGWXLSUCLTHL-UHFFFAOYSA-N 295.496 5.156 30 40 CKEB CCCCCCCC[C@@](CC)(CCCC)C(=O)O 100297907 ZMLHDQDNVVPPRP-MRXNPFEDSA-N 256.430 5.408 30 40 CKEB CCCCCCCCCCCC1=N[C@@H](CC)CO1 1759104 MUQWTZNSVCVDGD-HNNXBMFYSA-N 253.430 5.115 30 40 CKEB Cc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1F 51318706 JQJMGLVZGRTJNI-ZHACJKMWSA-N 297.373 5.066 30 40 CKEB CCCCCCCCCCOc1ccc2ccccc2c1 1729194 YLNRIDUKPBUYCJ-UHFFFAOYSA-N 284.443 6.359 30 40 CKEB CC[C@H](C)CCCC/C=C/CCCCCCC=O 14592024 HSGUJTMCFWXGAP-UABRLCRWSA-N 252.442 5.689 30 40 CKEB CCCCCCCCCC(=O)c1ccnc(Cl)c1 100297134 RIGFWOJNJHYVIN-UHFFFAOYSA-N 267.800 5.058 30 40 CKEB CCCCCCCCCc1nc2ccccc2s1 1682589 AICWWPXXVFXLOC-UHFFFAOYSA-N 261.434 5.589 30 40 CKEB Cc1ccc(S/N=C(\c2ccccc2)C(F)(F)F)cc1 12461893 RVMSZGGDSYQIOT-XMHGGMMESA-N 295.329 5.054 30 40 CKEB O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1cccs1 31900414 PUBVTYYUBAGESR-JLHYYAGUSA-N 290.387 5.311 30 40 CKEB Cc1cc(C)c(N/C=C/C(=O)c2cc(C)ccc2C)c(C)c1 44844328 NLOCPRNHSVQWSO-CMDGGOBGSA-N 293.410 5.037 30 40 CKEB CCCCCCCCCCCCN1CCC[C@H](C)C1 104191073 UZWJYXOTRCVFQE-SFHVURJKSA-N 267.501 5.639 30 40 CKEB C(=N/c1ccc2ccccc2c1)\c1cccn1-c1ccccc1 15229393 XKQBRPNNYZWIAX-CJLVFECKSA-N 296.373 5.381 30 40 CKEB O=C(/C=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1 17299785 GSXALLLVZAXTNH-HJWRWDBZSA-N 295.140 5.029 30 40 CKEB C[C@H]1C/C(=C/O)C(=O)c2cc3ccc4ccccc4c3cc21 104348613 BAGKRAQIMBIVKI-CMHHUMAZSA-N 288.346 5.125 30 40 CKEB CCCCCCCCCCCC[N+]1([O-])CCCCC1 95695134 ZELXQOMIZMDPHB-UHFFFAOYSA-N 269.473 5.406 30 40 CKEB CCCCCCCCCCC#Cc1cccc(C)c1C 101733517 FDPPNTLEVZAADX-UHFFFAOYSA-N 270.460 6.186 30 40 CKEB Oc1ccc2ccccc2c1C=Nc1ccc(F)c(Cl)c1 260840611 LQTFTYRUIIQDBU-UHFFFAOYSA-N 299.732 5.089 30 40 CKEB Cc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 17014212 HFATULWAYTVGCW-RMKNXTFCSA-N 284.786 5.161 30 40 CKEB CCCCCCCCCCCC[C@@H](O)/C=C/CCC(=O)O 67911446 SCZSILIHRULXII-OKACTXMXSA-N 298.467 5.079 30 40 CKEB biogenic,in-vitro Cc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 71977079 SXOFOLYCCPWDNG-VMPITWQZSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCN(CCCCCCCCC)N=O 72400167 NSPXOAQLARIGFF-UHFFFAOYSA-N 298.515 6.471 30 40 CKEB in-vitro Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Cl)c(C)c2)c1 44844663 AIOFNVSMGSURSV-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB CCCCCCCC(=O)OC[C@H](CC)CCCC 100048734 HPUAIVNIHNEYPO-OAHLLOKOSA-N 256.430 5.107 30 40 CKEB CCCCCCCCCCC#Cc1ccc(CC)cc1 101733698 KQPDVQVZPJXEPJ-UHFFFAOYSA-N 270.460 6.131 30 40 CKEB O=C1/C(=C/c2cccc3ccccc23)CCCc2ccccc21 984763 DYKKJZHVHFJZBY-XDJHFCHBSA-N 298.385 5.442 30 40 CKEB Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 71977100 ARNBKEVNSPNSNL-UKTHLTGXSA-N 292.422 5.497 30 40 CKEB CCCCCCCCCCCCCCCc1nc(C)c[nH]1 95777098 DSBVJJNBNAAFBD-UHFFFAOYSA-N 292.511 6.352 30 40 CKEB CCCCCCCNCCCCCCCCCCC(=O)O 100051334 GNHLOUIICBHQIT-UHFFFAOYSA-N 299.499 5.142 30 40 CKEB CCCCCCCCCC=Nc1ccccc1C(=O)OC 255978910 IKRROOGGEXPVSO-UHFFFAOYSA-N 289.419 5.316 30 40 CKEB C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1cccnc1 5515366 WGCAZHAQBMNKNB-CZPSDBATSA-N 286.338 5.248 30 40 CKEB C=CCOc1ccc2ccccc2c1/C=N/c1ccccc1 6295873 ABHKJSHAYDMSPP-RCCKNPSSSA-N 287.362 5.155 30 40 CKEB CCCCCCC[C@@H]1O[C@H]1CCCCCCCCC(=O)O 100297330 HPQKQYUHTBMKOE-IRXDYDNUSA-N 298.467 5.320 30 40 CKEB CCCCCCCCC(=O)c1cc(Cl)ccc1C 101471791 XFBPYXKXJACNAM-UHFFFAOYSA-N 266.812 5.582 30 40 CKEB CCCCCCCCCCCc1nc2ccccc2s1 1682590 LFFYBSKHBKTDIP-UHFFFAOYSA-N 289.488 6.370 30 40 CKEB Clc1ccccc1/C=N/c1ccc(-c2ccccc2)cc1 275354 UPZQTXBLGGAKTA-KGENOOAVSA-N 291.781 5.758 30 40 CKEB CC1(C)CC(=O)C2=C(C1)C[C@@]1(C)CC(C)(C)C[C@]2(Cl)C1 4127725 SQQIERGXMVUMSE-ROUUACIJSA-N 294.866 5.270 30 40 CKEB C=CCOC(c1c(C)cccc1C)c1c(C)cccc1C 95938067 FJVBXIYBEIVFDP-UHFFFAOYSA-N 280.411 5.212 30 40 CKEB in-vitro Cc1ccc(/C(=N/c2ccccc2)c2ccccc2C)cc1 104199581 BTTGLUDTRRJKKH-DQRAZIAOSA-N 285.390 5.473 30 40 CKEB CC/C=C(C)/C=C/C(=O)[C@H](C)C[C@@H](C)/C=C(\C)C(=O)CC 2332243382 ODKUSIVMRZWEJX-IKMQYZKYSA-N 290.447 5.056 30 40 CKEB C=C(CCC=C(C)C)[C@H]1CC(C)(C)CO[C@@H]1c1ccccc1 2105985 QJMJQQKEWWQJQY-WOJBJXKFSA-N 298.470 6.093 30 40 CKEB biogenic CCCCCCCCCCCCCCC1=NCCN1 104129364 BDIFMWBZFFSZAA-UHFFFAOYSA-N 266.473 5.079 30 40 CKEB C=C(C)CC1(N[C@H](C)c2ccccc2)CCCCC1 3315234 KDQWNNPVCBUWRB-MRXNPFEDSA-N 257.421 5.006 30 40 CKEB CCCCCCCCCC(=O)OCCCCCCCC 100127310 HRPZGPXWSVHWPB-UHFFFAOYSA-N 284.484 6.031 30 40 CKEB CCCCCCC#Cc1ccc(Cl)c(Cl)c1 101735452 ZGJQDHMIZBXLQV-UHFFFAOYSA-N 255.188 5.315 30 40 CKEB C[C@H]1C/C(=C\O)C(=O)c2cc3ccc4ccccc4c3cc21 104348607 BAGKRAQIMBIVKI-YGRGUWMTSA-N 288.346 5.125 30 40 CKEB CCCCCCCCCCOc1ccc(OC)cc1 1720484 WJRIMKYSGLYNDM-UHFFFAOYSA-N 264.409 5.215 30 40 CKEB CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccccc1C 8426963 MRXKAJQXWDBTPD-DLBZAZTESA-N 287.447 5.320 30 40 CKEB CCCCCCCCC[C@@H](CCCCCCC)C(=O)O 100113710 YLZIMEJTDZWVJG-QGZVFWFLSA-N 284.484 6.188 30 40 CKEB CCCCCCCCCCCC/C=C\C(F)(F)F 575330137 BCSCHBJZVQNWKT-YPKPFQOOSA-N 264.375 6.416 30 40 CKEB CCCCCCCNCc1c(OCC)ccc2ccccc12 100126245 YQXXSYBRDGIANH-UHFFFAOYSA-N 299.458 5.299 30 40 CKEB CCc1cccc(C)c1/N=C/c1ccc2ccccc2c1O 4616963 RQEQUWFFBJUOAI-FYJGNVAPSA-N 289.378 5.167 30 40 CKEB Cl/N=C(\Nc1ccc(Cl)cc1Cl)c1ccccc1 5584384 ACAJHKZZVISBEJ-UHFFFAOYSA-N 299.588 5.006 30 40 CKEB C/C(=N\OCc1ccccc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 12351001 HAHCRHHAOGMQGR-QDRDOIMASA-N 299.801 5.036 30 40 CKEB CCCCCCCCCCCC(=O)c1cc(F)cc(F)c1 101472387 MDYACYDUCCQSCX-UHFFFAOYSA-N 296.401 6.068 30 40 CKEB CCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C 2384594 YYBMOGCOPQVSLQ-SAPNQHFASA-N 280.452 5.583 30 40 CKEB CCCCCCCC1CCC(c2ccc(C#N)nc2)CC1 97994388 KQAABGJFRHNOMV-UHFFFAOYSA-N 284.447 5.588 30 40 CKEB O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccccc1Cl 4888190 KNTVZPXTMZYAGJ-LCPPQYOVSA-N 298.769 5.153 30 40 CKEB CCCOc1ccccc1/C=N/c1ccc(C)c(Cl)c1 6943298 COAGUQRIQWEJAR-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCCCC/C=C\CC(=O)O 85836513 PCBKWKNYISJGPJ-YPKPFQOOSA-N 254.414 5.328 30 40 CKEB endogenous,in-man CCc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1 8084253 VKRUDGJALVKLPT-GIJQJNRQSA-N 294.181 5.012 30 40 CKEB CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C 8426960 MRXKAJQXWDBTPD-SJORKVTESA-N 287.447 5.320 30 40 CKEB C[C@@H](/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 102921533 XOHSVXHUTPVGTP-HMHKGCENSA-N 294.785 5.068 30 40 CKEB CCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330159 CZSLDAYFECAGEY-FPLPWBNLSA-N 280.227 5.346 30 40 CKEB C=CCCCCCCCC[C@H]1OC[C@H](CC)[C@@H](CCC)O1 4430192 BILILUPVWQSZDG-OTWHNJEPSA-N 296.495 5.861 30 40 CKEB CCCCCCCCCCC/C=C/CCCCCO 100302015 TVPWKOCQOFBNML-OUKQBFOZSA-N 268.485 6.016 30 40 CKEB CCCCCCCCCCCCN1CCO[C@@H](CC)C1 100923450 XZGVMGAHUKXLJT-SFHVURJKSA-N 283.500 5.018 30 40 CKEB CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Cl 6963970 ZATJALQUBGHBCT-YBFXNURJSA-N 287.790 5.106 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2C)C1 408564296 YFERMXFMPJXHTC-HJUDDPQBSA-N 299.458 5.405 30 40 CKEB CCCCCCC[C@H](O)/C=C/CCCCCCCC(=O)O 85885972 MHBZYZVYSHCDLI-VMEIHUARSA-N 298.467 5.079 30 40 CKEB biogenic,in-vitro CCCCCCCCCC(=O)c1cccc2ccccc12 101475052 PXHRQJCLAIBBMA-UHFFFAOYSA-N 282.427 6.163 30 40 CKEB CC(C)=Nc1ccc(CSc2ccccc2)cc1 107878344 LDPPGEBLPYQWOC-UHFFFAOYSA-N 255.386 5.091 30 40 CKEB CCCCCCCCCCC(=O)Oc1cc(C)ccc1C 2061808 OLJQOUMZEOYWQX-UHFFFAOYSA-N 290.447 5.740 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 100741214 IGGWKHQYMAJOHK-NXHKRRBXSA-N 290.491 5.743 30 40 CKEB CCCCCCCCCC(=O)c1ccc(F)c(F)c1 101472269 XYRMWKMIZFFTTH-UHFFFAOYSA-N 268.347 5.288 30 40 CKEB CCCCCCCSc1nc(C)c(Cl)c(C)c1C#N 98003688 PEUOPQJOPXTYNY-UHFFFAOYSA-N 296.867 5.286 30 40 CKEB Cc1cccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1 5218567 PNGCZRVLMHIATC-CMDGGOBGSA-N 291.177 5.198 30 40 CKEB C=CC(=O)OCCCCCCCCCCCCCCCC 60097253 PZDUWXKXFAIFOR-UHFFFAOYSA-N 296.495 6.197 30 40 CKEB in-vitro CCCCCCCCCC(=O)c1ccc(F)cc1C 101473854 PPHLYNVUBKNKEO-UHFFFAOYSA-N 264.384 5.458 30 40 CKEB CC/C(=N\c1sc2c(c1C#N)CCCC2)c1ccccc1 5446685 HZOCPRBLPZUEAP-CAPFRKAQSA-N 294.423 5.029 30 40 CKEB CCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 59212225 GWBCKUIVJQWEKV-UHFFFAOYSA-N 273.203 5.537 30 40 CKEB Cc1ccc(/C=N/c2ccc(C(C)(C)C)cc2)s1 3233910 CLPNREJPSOOMBL-GZTJUZNOSA-N 257.402 5.105 30 40 CKEB C=C(CSCCCCCCCCCCCC)C(=O)O 104235488 OEJAHVVRIXICAW-UHFFFAOYSA-N 286.481 5.281 30 40 CKEB [N-]=[N+]=Nc1ccc(CCc2ccc(N=[N+]=[N-])cc2)cc1 15020121 XWOUTRFQXXRCIU-UHFFFAOYSA-N 264.292 5.355 30 40 CKEB in-vitro CCCCCCCCC[C@@H]1OC[C@H](CC)[C@H](CCC)O1 100301423 VCCMLUUBOOTDDC-OKZBNKHCSA-N 284.484 5.695 30 40 CKEB CCCCCCCC[C@@H]1N[C@@H]1CCCCCCCC 104156498 KUFBWADZXJUZBU-HDICACEKSA-N 267.501 5.828 30 40 CKEB CCCCCCCC/C=C/CCCCOC(C)=O 59725177 IAGBQBDKOCVGCC-ZHACJKMWSA-N 254.414 5.027 30 40 CKEB CCCCCCC/C=C/CCCCCCCCCN 80176621 KLHQRMIHSOIQPA-CMDGGOBGSA-N 267.501 5.983 30 40 CKEB CC(C)(C)C1CCC(C#N)(/N=N\c2ccccc2)CC1 104215397 XTLYPXSWIOVFAP-VXPUYCOJSA-N 269.392 5.269 30 40 CKEB CCCCCCc1ccc(C(=O)/C=C/c2ccccc2)cc1 199984151 AYBDCPACPFVKBY-SAPNQHFASA-N 292.422 5.706 30 40 CKEB CCCCCCCCCCCC#CCCCCC(=O)O 44359479 GVZXZHWIIXHZOB-UHFFFAOYSA-N 280.452 5.556 30 40 CKEB in-vitro CCCCCCCCCCC#Cc1cc(C)cc(F)c1 101733819 PZXCGZCAZABHJO-UHFFFAOYSA-N 274.423 6.016 30 40 CKEB CCCCCCCCC/C=C\C/C=C\CCCC(=O)OC 195802340 MOJNITLXOYTAOQ-HDXUUTQWSA-N 294.479 5.973 30 40 CKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1C 408780108 SIYMMFIOUKUHLN-KGENOOAVSA-N 294.442 5.440 30 40 CKEB CCCCCCCCN(C=O)CCCCCCCC 80589913 NNLFVDJUSPWFRP-UHFFFAOYSA-N 269.473 5.166 30 40 CKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3)cc21 196874832 KXDKFBIKWWKJHJ-HFITWMCCSA-N 292.426 5.159 30 40 CKEB CCOc1ccc(Cl)cc1/C=N\c1cc(C)ccc1C 409095627 BODMKTZTQXTXFG-ODLFYWEKSA-N 287.790 5.106 30 40 CKEB C=C(CCC=C(C)C)[C@H]1CC[C@H](C)O[C@H]1c1ccccc1 4024927 USDNJLFMSOKPKT-SXLOBPIMSA-N 284.443 5.845 30 40 CKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)cc(C)c1O 107658275 BJXHCKPSVVECJC-LSCVHKIXSA-N 294.181 5.066 30 40 CKEB Cc1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 408740113 IHAIAGSUFNAYCI-KGENOOAVSA-N 294.442 5.669 30 40 CKEB CCCCC/C(=N\O)c1ccc(C2CCCCC2)cc1 5417760 QFDYBJHXCLBMJX-VHEBQXMUSA-N 273.420 5.493 30 40 CKEB CC(C)(C)C(=O)/C=C/c1cccc(Oc2ccccc2)c1 1628703 OBLPOFIMGCYGIC-OUKQBFOZSA-N 280.367 5.107 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C1\C=CCc2ccccc21 18042509 LFMOQPQBDLZSCZ-DYTRJAOYSA-N 291.394 5.057 30 40 CKEB CCCCCCCCCCC#Cc1ccc(OC)c(F)c1 101733760 QEJMZLIJKGQXRB-UHFFFAOYSA-N 290.422 5.717 30 40 CKEB Clc1cc(Cl)c(/N=C/c2ccsc2)c(Cl)c1 3227621 ULZQIBGWGLQYMR-PJQLUOCWSA-N 290.602 5.459 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 5212467 JTSGWWQKGVNALD-LFIBNONCSA-N 298.385 5.558 30 40 CKEB CCCCCCCNCc1ccc(-c2ccccc2)o1 105343682 SEUWIDGMOFNOJH-UHFFFAOYSA-N 271.404 5.007 30 40 CKEB Cc1cccc(/N=C/c2c(Cl)cccc2Cl)c1C 409200053 GBELKYMBCHRMPV-GIJQJNRQSA-N 278.182 5.361 30 40 CKEB CCCCCCc1cc(C#N)c(CCCCCC)cc1C#N 2179664 QVFHNLFCSOFJED-UHFFFAOYSA-N 296.458 5.676 30 40 CKEB CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 15167729 MXTCKNHXBBXULO-ZJDHVTHPSA-N 298.426 5.271 30 40 CKEB biogenic CCCCCCC(/C=C\c1ccc(Cl)cc1)=N\O 17060398 MRPYNAJVTDJIBH-AWGMXQMZSA-N 265.784 5.154 30 40 CKEB Clc1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 101670230 NOFJSTYXZBNVFE-VCHYOVAHSA-N 298.798 5.214 30 40 CKEB CCCCCCCCCCC#Cc1ccc(F)cc1 101734128 FEVQYHYFVXRVPR-UHFFFAOYSA-N 260.396 5.708 30 40 CKEB C=C[C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 4025646 KEVYVLWNCKMXJX-SLFFLAALSA-N 296.539 6.363 30 40 CKEB C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1cccs1 22246800 GGFCRFMEXFTGCC-XDHOZWIPSA-N 275.376 5.070 30 40 CKEB CCCCCCCCC(=O)c1ccc(F)c(Cl)c1 101470966 YGHAMLNYSHCNAX-UHFFFAOYSA-N 270.775 5.412 30 40 CKEB CC(C)c1ccc(/N=C/c2ccc(Cl)s2)cc1 408966468 MVMGYGQEHADIJV-CXUHLZMHSA-N 263.793 5.276 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1ccc(C)c(C)c1 1229097 BEALXGOQWZLIDI-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB CCCCCCC(=O)/C=C\c1ccc(Br)cc1 17127877 KCKQQVVNQHVMKW-XFXZXTDPSA-N 295.220 5.002 30 40 CKEB C(=N/[C@H]1[C@@H]2CCC[C@@H]1C1=C(CCCC1)C2)\c1ccccc1 100894171 XFBAGFALBVWYDX-XDRLIGHTSA-N 279.427 5.165 30 40 CKEB CCCCCCCCCC(=O)c1cc(F)ccc1OC 101473572 RGZNONRRTFYNAZ-UHFFFAOYSA-N 280.383 5.158 30 40 CKEB C=CC(=C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 28540996 NIDGCIPAMWNKOA-UXHICEINSA-N 278.524 7.168 30 40 CKEB biogenic,in-vitro CCCCC[C@@H](CSCC)C(=O)/C=C/c1ccccc1 1573413 WUSCEWCYPXVUFP-CLVCIHKQSA-N 290.472 5.219 30 40 CKEB O=C1/C(=C/c2ccccc2)CCCC/C1=C\c1ccccc1 17216659 CDWCNIVDIALVDN-MXWIWYRXSA-N 288.390 5.297 30 40 CKEB CCCCCCCCCCCCCC(=O)OCCC(C)C 43523782 AISCBZKHUSXEOC-UHFFFAOYSA-N 298.511 6.277 30 40 CKEB CCCCCCCCCCC#Cc1ccccc1CC 101733629 KSDQRUZQQJBWTC-UHFFFAOYSA-N 270.460 6.131 30 40 CKEB C=C(CCCCC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1731552 QNXBBKTWQSKPNC-CSKARUKUSA-N 297.225 5.712 30 40 CKEB CCCCCCCCCCCCCCN(C)N=O 40454283 CCTMZRHJDTTZRF-UHFFFAOYSA-N 256.434 5.301 30 40 CKEB in-vitro CCCCCCCCCc1ccc2ccc(C)nc2c1O 100935863 RQFNGEBCDQJDQB-UHFFFAOYSA-N 285.431 5.542 30 40 CKEB CCCCCCCCCCCC1OCC(C)(C)CO1 1679873 VWQNQWGNFQGZHD-UHFFFAOYSA-N 270.457 5.306 30 40 CKEB CC(=C=CC(C)(C)/C=N/c1ccc(C)cc1)CCC=C(C)C 2124351 SJGFTIJZOHXMIR-CJLVFECKSA-N 295.470 6.571 30 40 CKEB biogenic C=C[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 4025643 KEVYVLWNCKMXJX-VAMGGRTRSA-N 296.539 6.363 30 40 CKEB CCCCCCCCC(=O)Nc1ccc(Cl)cc1 97960071 MPARTUWWGPDYGJ-UHFFFAOYSA-N 267.800 5.029 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(O)c(O)c1 100933485 FDZBZVZIUGBKAF-UHFFFAOYSA-N 292.419 5.201 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccccc2C)C1 408562785 CFGYPBAKTPAIRC-MDJJKAFGSA-N 285.431 5.096 30 40 CKEB Cc1ccccc1/C=N/c1ccc(Nc2ccccc2)cc1 1087213 VDKKQZRKTXHUBA-RCCKNPSSSA-N 286.378 5.489 30 40 CKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C)cc1C 44844193 HKGXXMITACKCNW-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB C=C(C)[C@@H]1CCC(C)=C1CC[C@H](C)OC(=O)c1ccccc1 1670284 CYQNMSYFCZTRNA-WMZOPIPTSA-N 298.426 5.315 30 40 CKEB C=C[C@](C)(O)CC[C@@H]1CCC[C@H]2C(C)(C)CCC[C@@]12C 19878802 VVUVZVUAPNPEDQ-CAMMJAKZSA-N 278.480 5.336 30 40 CKEB CCCCCCCCCC(=O)c1cccc(C)c1C 101472921 RJUBCMCJQOTFMU-UHFFFAOYSA-N 260.421 5.627 30 40 CKEB CCCCCCCCCOCCCCCCCCC 59209127 DKZRLCHWDNEKRH-UHFFFAOYSA-N 270.501 6.504 30 40 CKEB CCCCCCCC(=O)c1cc(OCCCC)ccc1O 100922009 PHCAHJRCDRISIZ-UHFFFAOYSA-N 292.419 5.114 30 40 CKEB C=CC(=O)CCCCCCCCCCCCCCCCC 100503520 WQGALWDLDYQGEH-UHFFFAOYSA-N 294.523 7.003 30 40 CKEB CCCCCCCCCCCCCCOC(=O)CCC 80268868 KIRBCTVJSVTCCQ-UHFFFAOYSA-N 284.484 6.031 30 40 CKEB CCCCCCCC(=O)c1cccc2ccccc12 101475049 JHPBCBXKWXQVSN-UHFFFAOYSA-N 254.373 5.383 30 40 CKEB O=C(C1=C/C(=C/c2ccccc2)CCC1)c1ccccc1 1728149 NUYRKUMHHRMJHE-SAPNQHFASA-N 274.363 5.063 30 40 CKEB CCCCCCCCCCCCCC[S+](C)C 59143628 LDZRYLOIIHCBQP-UHFFFAOYSA-N 259.523 5.565 30 40 CKEB CCCCCCCCCCCCOCCN1CCCCC1 100932604 GKGGYKPAMRQMRE-UHFFFAOYSA-N 297.527 5.410 30 40 CKEB CCCCCCCCCC(=O)c1cc(C)cc(F)c1 101473729 WCYGUTLCZHHAPB-UHFFFAOYSA-N 264.384 5.458 30 40 CKEB CCCCCCCCCCCC[N+]1(CC)[C@H](C)CC[C@H]1C 104177241 PKZAAFWCLLOMHG-WOJBJXKFSA-N 296.563 6.315 30 40 CKEB CCCCCC12CCC(c3ccc(C#N)cc3)(CC1)CC2 3108524 BIDQXOXSCXIYKA-UHFFFAOYSA-N 281.443 5.731 30 40 CKEB CCCCCCCCCCC#Cc1cccc(F)c1 101734077 FJZINURVWBKBRC-UHFFFAOYSA-N 260.396 5.708 30 40 CKEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1C1CCCCC1 1096837 SEDOXZRJTBROJT-DEDYPNTBSA-N 296.414 5.066 30 40 CKEB CCCCCCCCCCCN1CCCCCC1 59663545 VRGGECKZLKBKEM-UHFFFAOYSA-N 253.474 5.393 30 40 CKEB CC[C@H]([C@@H]1CC=CCC1)[C@](C#N)(CC)c1ccc(OC)cc1 4961998 BVUZDCCMZPSBJC-AHRSYUTCSA-N 297.442 5.249 30 40 CKEB CCCCC#CCCCCCCCCCCOC(C)=O 5244125 CGNKNPUOEKFUNR-UHFFFAOYSA-N 280.452 5.254 30 40 CKEB CCCCCCCCCCCCCCCCOCCCN 59193536 HPIKNEFNXLGDDK-UHFFFAOYSA-N 299.543 5.833 30 40 CKEB OC1=C/C(=N\c2cccc(Cl)c2)C[C@H](c2ccco2)C1 104158214 HKUNVRREJFOCJN-WMEZLHQCSA-N 287.746 5.025 30 40 CKEB CCCCCCCCCCCC(=O)c1ccccc1C 101474669 BGRYMWWTUWOWDF-UHFFFAOYSA-N 274.448 6.099 30 40 CKEB CCCCCCCCNCc1cc(Cl)ccc1OCC 102561813 URSDOFFFURMVRS-UHFFFAOYSA-N 297.870 5.189 30 40 CKEB CCCCCCCCCCC#Cc1cc(C)c(C)cc1C 101736159 HRMHCJZMBKSHBJ-UHFFFAOYSA-N 284.487 6.494 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C 1087235 LSTRGIANMXIYSQ-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB O=C1/C(=C\c2cccc3ccccc23)Sc2ccccc21 1465937 UGISGSFUDZKURM-LDADJPATSA-N 288.371 5.169 30 40 CKEB C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1 100003444 BCUMFFLWJNKNOU-JXCQSKEPSA-N 282.471 6.261 30 40 CKEB C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C\C=C/C(C)(C)O)C[C@@H]12 34689069 VGVBCHZWSHUBLW-IJDZAYKKSA-N 288.475 5.423 30 40 CKEB CCCCCCCCCCC#Cc1ccc(C)c(F)c1 101735850 GOEFWIQVGBZDSJ-UHFFFAOYSA-N 274.423 6.016 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(C)ccc2C)C1 408562915 GRUCQTQNQPXBKN-HJUDDPQBSA-N 299.458 5.405 30 40 CKEB CCCCCCOc1ccc(/C=N/Nc2ccccc2)cc1 6203382 XCLHWYXZSJOBTI-CAPFRKAQSA-N 296.414 5.092 30 40 CKEB C/C=C\C=C\C(=O)OCCCCCCCCCCCC 104345901 SUWOMTFOTLRLNL-JSNTUCNZSA-N 280.452 5.583 30 40 CKEB CCCCCCCCCCCc1nc2ccccc2n1C 50861429 MFSDVXGXNSIRFF-UHFFFAOYSA-N 286.463 5.647 30 40 CKEB CCCCCC[C@@](C)(O)C#Cc1ccc(C(C)(C)C)cc1 95631500 ZFTVNNXTBVXUFS-HXUWFJFHSA-N 286.459 5.057 30 40 CKEB C=CC(=O)OC[C@@H](CCCCCC)CCCCCCCC 104959962 RTJWWLFRBSTNDB-SFHVURJKSA-N 296.495 6.053 30 40 CKEB C=C(C)[C@@H]1CCC(C)=C1CC[C@@H](C)OC(=O)c1ccccc1 1670282 CYQNMSYFCZTRNA-AEFFLSMTSA-N 298.426 5.315 30 40 CKEB CCCCCCCCCCN1Cc2ccccc2C1 1682907 XIKXQGMBPTXEIT-UHFFFAOYSA-N 259.437 5.143 30 40 CKEB CCCCc1ccc(/N=N/c2ccc(C#N)cc2)cc1 4114042 XZTJVKGTZOQOKM-FMQUCBEESA-N 263.344 5.316 30 40 CKEB CC/C(C)=N/Nc1nc(-c2cccc3ccccc23)cs1 5414418 RMXWOYZHYQWYPX-XDHOZWIPSA-N 295.411 5.161 30 40 CKEB CC(/C=N\c1c(C)ccc(C(C)C)c1O)=C/c1ccccc1 104372155 GAFPREISOZXBSX-LLRIMJKVSA-N 293.410 5.630 30 40 CKEB C/C(=N/N=C(\C)c1ccc(C)cc1C)c1ccc(C)cc1C 12338969 DHBHRMINRYIUIH-QGFZOGOGSA-N 292.426 5.153 30 40 CKEB O=C(/C=C\c1ccc(Cl)cc1)c1cccc2ccccc12 33378707 WXEOEECZHYYPAS-RAXLEYEMSA-N 292.765 5.389 30 40 CKEB O=C(/C=C/C=C\c1ccccc1)/C=C/C=C/c1ccccc1 33838930 RLJALOQFYHCJKG-XCBHXTLASA-N 286.374 5.095 30 40 CKEB CCCCCCCCCCCCNC1CCCCC1 100074750 RFCOOTZDCSCNPE-UHFFFAOYSA-N 267.501 5.830 30 40 CKEB O=C(/C=C\c1ccccc1)c1ccc(-c2ccccc2)cc1 17314486 LTWFSMHHLMTFFU-WJDWOHSUSA-N 284.358 5.250 30 40 CKEB CCCCCCCCC#CCCCCCCCC 2600024 NKRBWIXXEQOWRY-UHFFFAOYSA-N 250.470 6.491 30 40 CKEB CCCCCCCCCCCCCCCCSC 103653593 QMJVEYVUEYCZJY-UHFFFAOYSA-N 272.542 6.831 30 40 CKEB O=C(/C=C\c1cccc2ccccc12)c1ccc(Cl)cc1 5022813 XPHQJOOQZCMEMB-RAXLEYEMSA-N 292.765 5.389 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(C)cc1O 100921099 WLPCNIQAWWSJNO-UHFFFAOYSA-N 290.447 5.804 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(C)cc1C 101473009 SUEFLCAZZGCJRU-UHFFFAOYSA-N 288.475 6.407 30 40 CKEB CCCCCCCCCCCC/C=C/C(F)(F)F 103530907 BCSCHBJZVQNWKT-BUHFOSPRSA-N 264.375 6.416 30 40 CKEB CCCCCCCCCCCCC[N+]1([O-])CCCCC1 104198981 YNUKPKFLZOJGDC-UHFFFAOYSA-N 283.500 5.796 30 40 CKEB CCCCCCCCC(N)CCCCCCCC 100688883 XLHBQRJOHIHZGQ-UHFFFAOYSA-N 255.490 5.815 30 40 CKEB CCCCCCCCCCC(=O)c1cc(C)ccc1O 100921987 IXNDGHACRJHAOG-UHFFFAOYSA-N 276.420 5.414 30 40 CKEB Cc1cc(/C=N/c2ccccc2)c(C)n1C1CCCCC1 1101685 JIFFHSHQILHZBU-XSFVSMFZSA-N 280.415 5.361 30 40 CKEB CCCCCCC(=O)/C=C\c1cc(Cl)cc(Cl)c1 17127550 DTMDOKFRPVCRGV-FPLPWBNLSA-N 285.214 5.546 30 40 CKEB CCCCCCCCCCCc1cc(O)ccc1O 59608665 ZQVFLVKRECCNSE-UHFFFAOYSA-N 264.409 5.171 30 40 CKEB CCCCCCCOc1ccc(NCCCCCC)cc1 100033750 RICNVDVQVCSCMK-UHFFFAOYSA-N 291.479 6.028 30 40 CKEB CCCCC[C@H]1CC[C@H](c2ccc(C#N)c(F)c2)CC1 253497119 OMMGVKXMWFSMJV-SHTZXODSSA-N 273.395 5.551 30 40 CKEB CCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 3190757 FTKOTFYWOFIXAJ-UHFFFAOYSA-N 288.218 5.292 30 40 CKEB Fc1cccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 59250360 DHBHQFDZKKQNTN-UDWIEESQSA-N 298.748 5.020 30 40 CKEB CCC#Cc1c(CC)c2ccccc2c2ccccc12 95887576 OLPRADHJTIMKOD-UHFFFAOYSA-N 258.364 5.317 30 40 CKEB CCCCCCCN[C@@H](C)c1ccc(Br)cc1 103985413 DIVNEABEPNDXJM-ZDUSSCGKSA-N 298.268 5.070 30 40 CKEB N#CC[C@@H](c1ccccc1)C1c2ccccc2-c2ccccc21 4589242 KFOOYGMSQMTFNS-KRWDZBQOSA-N 295.385 5.496 30 40 CKEB O=C(/C=C\c1cccc2ccccc12)c1ccccc1Cl 5777277 WXNBNBAXTJIKSU-SEYXRHQNSA-N 292.765 5.389 30 40 CKEB Cc1ccc([S@@+](/C=C/C(F)(F)F)c2ccccc2)cc1 72194271 WSYVDYFLCAHAHH-YVNCXZRQSA-N 295.349 5.107 30 40 CKEB CCCCCCCCCC(=O)c1ccccc1CC 101473389 KGRARVPKGRALRW-UHFFFAOYSA-N 260.421 5.572 30 40 CKEB CCCCCCCCc1ccc(-c2ccc(CC)cc2)nc1 3065677 IWVMFXJEBRPQQL-UHFFFAOYSA-N 295.470 6.214 30 40 CKEB CCCCCCCCCCCCCCCC(=O)N(C)C 43706514 UOYBMZNFJUBBNU-UHFFFAOYSA-N 283.500 5.556 30 40 CKEB CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 59138147 PPJJHNPQRSKXGJ-AUQXIXNCSA-N 296.414 5.144 30 40 CKEB CCCOc1cccc(/C=N\c2ccc(C)c(Cl)c2)c1 409200474 HMAFHFIZZNMBGY-UNOMPAQXSA-N 287.790 5.188 30 40 CKEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccccc1Cl)CC2 33502829 KPUVSXZSMVJKCK-PTNGSMBKSA-N 296.797 5.169 30 40 CKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OCc1cccc(Cl)c1)C2 38534234 OFYWOCDURUDKMP-MUYFYYQASA-N 291.822 5.059 30 40 CKEB CCCCCCCCCn1c(C(C)C)nc2ccccc21 50861298 RTPVFXJDNTTYCJ-UHFFFAOYSA-N 286.463 5.910 30 40 CKEB CCCCCCCCSC(=O)N(C(C)C)C(C)C 1732678 IWBYEHVHEFSXJQ-UHFFFAOYSA-N 273.486 5.319 30 40 CKEB O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1Cl 6340910 QRBXHVQSROXPLJ-VMPITWQZSA-N 295.140 5.029 30 40 CKEB CC[C@@H](C)CCCC/C=C/CCCCCCC=O 14592023 HSGUJTMCFWXGAP-QQOXCAACSA-N 252.442 5.689 30 40 CKEB C=Cn1ccc(CCCCCCCC)c1-c1ccccc1 103014103 ZWNZSOXZIJHUEU-UHFFFAOYSA-N 281.443 6.159 30 40 CKEB CCCCCCCCC(=O)Nc1c(C)cccc1CC 2088098 QCTXFRAAQUUYEV-UHFFFAOYSA-N 275.436 5.247 30 40 CKEB CCCCCCCCCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 8454302 ZAMBMASBQYCKLB-ULQDDVLXSA-N 281.484 5.068 30 40 CKEB CC[C@H]([C@H]1CC=CCC1)[C@](C#N)(CC)c1ccc(OC)cc1 1717636 BVUZDCCMZPSBJC-DBVUQKKJSA-N 297.442 5.249 30 40 CKEB CCCCCCCCCn1c(C)nc2ccccc21 2269734 RIMAALBWYLLICD-UHFFFAOYSA-N 258.409 5.095 30 40 CKEB CCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 18082835 AUVREZVTBBIYLI-HMMYKYKNSA-N 281.399 5.179 30 40 CKEB CCCCCCCCCCCCC(=O)Nc1ccccc1 100286095 AIJKPNAKUMGGMZ-UHFFFAOYSA-N 289.463 5.936 30 40 CKEB CCCCCCCCCc1ccc(O)c2ncccc12 100935849 SRHGMNUKAYSYGM-UHFFFAOYSA-N 271.404 5.234 30 40 CKEB Cc1cc(C)c(/N=C2\c3ccccc3-c3ncccc32)c(C)c1 1055233 YJHHCZWPSJQOMT-XTQSDGFTSA-N 298.389 5.156 30 40 CKEB C=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 85975164 RNTRDTWDTOZSEV-MOPGFXCFSA-N 266.513 7.002 30 40 CKEB CCCCCCCCCCCCOC(=O)CCC 95618205 JEPXJYKYHMEESP-UHFFFAOYSA-N 256.430 5.251 30 40 CKEB endogenous,in-man CCCCCCCCCCCC(=O)c1ccc(F)c(F)c1 101472272 SHLXWFFSOLCEHI-UHFFFAOYSA-N 296.401 6.068 30 40 CKEB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](S)CC[C@]3(C)[C@H]1CC2 118928746 QLLFFHIRARHPDL-UGCZWRCOSA-N 290.516 5.638 30 40 CKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc2ccccc2c1 971280 HXPLEOSTLVZRCV-FYJGNVAPSA-N 284.362 5.380 30 40 CKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 6678277 VGZWTJWGEQZYSS-HMHKGCENSA-N 281.399 5.273 30 40 CKEB Cc1[nH]c2c(ccc3ccccc32)c1[C@H]1[C@@H](CC#N)C1(C)C 1410316 GDRMTPNBMRUNFO-SJLPKXTDSA-N 288.394 5.283 30 40 CKEB C=CCCCCCCCC[C@H]1OCC(C)(C)[C@@H](C(C)C)O1 1615210 YPYNEVLQTMVQRM-ZWKOTPCHSA-N 296.495 5.717 30 40 CKEB CCCCCCCCCCOc1ccc(C#N)cc1 2512530 SNZPHYPGLGYDBO-UHFFFAOYSA-N 259.393 5.078 30 40 CKEB CCCCCCCc1ccc(-c2ccc(C#N)cn2)cc1 3108586 QDVZSGFHRCKPPQ-UHFFFAOYSA-N 278.399 5.133 30 40 CKEB CC1=C/C(=N/[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 104359724 MXMBEEGCFXGYPY-VXZYYSFCSA-N 261.453 5.409 30 40 CKEB C(=N/c1ccc2ccccc2c1)\c1c[nH]c2ccccc12 287779 NWSYHRUZTJAYED-UDWIEESQSA-N 270.335 5.072 30 40 CKEB CCCCCCCCCCn1cnc2ccccc21 1956627 KUQRQSRKUXHMPX-UHFFFAOYSA-N 258.409 5.177 30 40 CKEB CCCCCCCCCCCOc1cccc(N)c1 59608657 MOSNYPKDBDAWML-UHFFFAOYSA-N 263.425 5.178 30 40 CKEB CCCCCCCCCC(=O)OCCCC[C@@H]1CCCO1 100300484 CAETXHDMWBEGGO-QGZVFWFLSA-N 298.467 5.020 30 40 CKEB CCCCCCCCCCOc1ccc(C(C)=O)c(O)c1 100926099 HFTBNZIGEXLAGQ-UHFFFAOYSA-N 292.419 5.114 30 40 CKEB O=C1/C(=C/c2cccc3ccccc23)Sc2ccccc21 1465938 UGISGSFUDZKURM-PDGQHHTCSA-N 288.371 5.169 30 40 CKEB CCCCCCCCCCCC[n+]1ccc(C)cc1C 1719229 RDLWHYBLLSAEBW-UHFFFAOYSA-N 276.488 5.512 30 40 CKEB C=CCCCCCCCCC(=O)Nc1cccc(Cl)c1 3066206 RGKUGEZIHWARND-UHFFFAOYSA-N 293.838 5.585 30 40 CKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 51318676 AETDQSDAAYTJHI-VAWYXSNFSA-N 299.801 5.272 30 40 CKEB CCCCCCCCNCc1ccc(Cl)c(Cl)c1 102561679 YBYSJZKKNIPDGL-UHFFFAOYSA-N 288.262 5.444 30 40 CKEB CCCCCCCC/C=C\[C@@H](O)CCCCCCC(=O)O 217733595 JEXIZLHRWZNJIX-VWILAXROSA-N 298.467 5.079 30 40 CKEB N#C[C@H](C=C(c1ccccc1)c1ccccc1)c1ccccc1 1557491 DRHVBAPIQCHGCM-NRFANRHFSA-N 295.385 5.426 30 40 CKEB CCCCCCCCCCCC1=NCCCN1CCCC 100303096 GWTSSYBZBMPGCS-UHFFFAOYSA-N 294.527 5.812 30 40 CKEB O=C1/C(=C\c2ccc3ccccc3c2)CCCc2ccccc21 984766 GADKJBDEDCGOFL-HKWRFOASSA-N 298.385 5.442 30 40 CKEB aggregator Cc1ccc2cc(C#N)c3c4ccccc4sc3c2c1 4656126 QQUBJDJUSWCRLG-UHFFFAOYSA-N 273.360 5.388 30 40 CKEB Cc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 104273925 HZDQYAKYHORQMG-MFOYZWKCSA-N 264.155 5.052 30 40 CKEB CCCCCCCCC(=O)N(CCCC)CCCC 104158177 OLWWMZKVJBISLO-UHFFFAOYSA-N 269.473 5.166 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](O)CCC 105406372 BTTMZEBIMDNSPK-FQEVSTJZSA-N 298.555 7.019 30 40 CKEB CCCCCCCCCCC1O[C@H](C)C[C@@H](C)O1 100302310 TXANYHCPKPNEDA-HUUCEWRRSA-N 256.430 5.057 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccccc1Cl 104345103 OTAIJMNIXXQPMD-GRSHGNNSSA-N 287.790 5.228 30 40 CKEB C=CCCCCCCCC[C@H]1OC[C@@H](CC)[C@H](CCC)O1 4430191 BILILUPVWQSZDG-QYZOEREBSA-N 296.495 5.861 30 40 CKEB CCCCCCCCC[C@H]1OC[C@H](CC)[C@H](CCC)O1 100301424 VCCMLUUBOOTDDC-BZSNNMDCSA-N 284.484 5.695 30 40 CKEB CCCCCCCSc1ccccc1Br 100799861 TXXBGBRGELJVMF-UHFFFAOYSA-N 287.266 5.512 30 40 CKEB CCCCCCCC(=O)N(CCCCC)CCCCC 104158160 JRVJLZSRSNXBNX-UHFFFAOYSA-N 283.500 5.556 30 40 CKEB CC(C)=CC(=O)c1cc2ccccc2c2ccccc12 575358967 MHWZXWGGCUMKJK-UHFFFAOYSA-N 260.336 5.142 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](O)CO 100018658 XWAMHGPDZOVVND-GOSISDBHSA-N 286.500 5.211 30 40 CKEB in-vitro CCCCCCCCCCCCS/C(N)=N\C1CC1 100167407 YRHNUSNXHLOUER-UHFFFAOYSA-N 284.513 5.118 30 40 CKEB in-vitro Cc1cc(O)c(C(C)C)cc1/N=C1/C=CCc2ccccc21 100249794 LFMOQPQBDLZSCZ-UZYVYHOESA-N 291.394 5.057 30 40 CKEB CCCCCCCCCC(=O)c1ccc(C)c(Cl)c1 101471459 OAYMHCWSQBKNOM-UHFFFAOYSA-N 280.839 5.972 30 40 CKEB Cc1cc(N/N=C2\C[C@H](C)CC(C)(C)C2)nc2ccccc12 6044156 MFMAMQBHCIVIOI-SYPKWCCASA-N 295.430 5.157 30 40 CKEB CCCCCCCCCCC#Cc1cc(F)c(F)c(F)c1 101734495 MHADJYKAKWBENQ-UHFFFAOYSA-N 296.376 5.986 30 40 CKEB CCCCCCCC/C=C/CCCCCCCCN(C)C 60154181 DCNHQNGFLVPROM-VAWYXSNFSA-N 295.555 6.586 30 40 CKEB CCCCCCCCCCC/C(=N/O)c1ccccc1 100166638 XEZBCLIXGWYGFX-HNENSFHCSA-N 275.436 5.786 30 40 CKEB CCCCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 299754845 YEPXKTSYILRSQX-SAABIXHNSA-N 269.432 5.802 30 40 CKEB C=CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 3126365 ATPXKEHQFOXAGR-UHFFFAOYSA-N 292.407 5.022 30 40 CKEB C=CC[N+](C)(C)CCCCCCCCCCCC 38158034 GEZBAJKNFISLOX-UHFFFAOYSA-N 254.482 5.170 30 40 CKEB CCCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 100003424 FURZYCFZFBYJBT-WOVMCDHWSA-N 255.405 5.412 30 40 CKEB CC(C)c1ccccc1/N=C\c1ccc(N2CCCC2)cc1 408851179 JFBXPRUTYSPFKT-QNGOZBTKSA-N 292.426 5.161 30 40 CKEB CCCCCCCCCCCCN(CCCC)CCCC 60138518 FTBKGTWNWSTGAY-UHFFFAOYSA-N 297.571 6.810 30 40 CKEB CCCCCCCC(=O)c1ccc(Cl)c(F)c1 101471151 RBACDZYMPWQHLI-UHFFFAOYSA-N 256.748 5.022 30 40 CKEB CCCCCCCCCCn1c(C)nc2ccccc21 1956628 BPJFIPKRCQSMJI-UHFFFAOYSA-N 272.436 5.485 30 40 CKEB CCCCCCCCCCSCCc1ccncc1 3065155 HNYYLFXSFLEIDA-UHFFFAOYSA-N 279.493 5.498 30 40 CKEB CCCCCCCCCCCCNCc1ccc(O)cc1 100692395 HLLWYXIHZYVTBD-UHFFFAOYSA-N 291.479 5.403 30 40 CKEB CCC(/C=C/c1ccccc1)=N/Nc1ccc(Cl)cc1 5664123 GRABOUDUOZGJLO-ZHHABMHLSA-N 284.790 5.231 30 40 CKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Cl)cc2C)c1 44844593 MWOKLTRSQMMWSJ-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB CCCCCCCCCCCCCCCc1ncc[nH]1 100726049 SDQCONAKTCBAMG-UHFFFAOYSA-N 278.484 6.043 30 40 CKEB CCCCCCCCCc1ccc(/C(C)=N/O)cc1 103009021 AHLYHKAXNDWVNT-OBGWFSINSA-N 261.409 5.178 30 40 CKEB CCCCCCCCCCCC[n+]1ccccc1C 1679179 OMPLFUALYIEKNF-UHFFFAOYSA-N 262.461 5.203 30 40 CKEB CCCCCCCCCC(=O)c1ccc(C)c(F)c1 101473644 HIZQRGKIQWULCS-UHFFFAOYSA-N 264.384 5.458 30 40 CKEB CCCCCCCCCCCCCCCCC/C=C/O 100503980 NDQBZUKGHQYKLD-VHEBQXMUSA-N 282.512 7.320 30 40 CKEB CCCCCCC/C=C/CCCCCCCCC(=O)O 70556176 QXJSBBXBKPUZAA-CMDGGOBGSA-N 282.468 6.109 30 40 CKEB biogenic,in-vitro O=C(/C=C/c1cccs1)c1ccc(-c2ccccc2)cc1 5667581 VOOWOOCIUCLPRB-OUKQBFOZSA-N 290.387 5.311 30 40 CKEB O=C1/C(=C/c2ccc(Cl)cc2)c2cccc3cccc1c23 28627823 NHSHIKCBFLJUQH-GZTJUZNOSA-N 290.749 5.230 30 40 CKEB Cc1ccc2nc(SCC3CCCCC3)c(C#N)cc2c1 976915 POJZTXPHYRAANW-UHFFFAOYSA-N 296.439 5.087 30 40 CKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1Cl 6888968 BEAYPINMCWLHNW-FPYGCLRLSA-N 295.140 5.029 30 40 CKEB CCCCCCCCCCCCOc1ccc(CO)cc1 101004870 QZRZBEONNIUBON-UHFFFAOYSA-N 292.463 5.479 30 40 CKEB C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 101124664 IGGWKHQYMAJOHK-ORFRNNEJSA-N 290.491 5.743 30 40 CKEB CCCCCCCCCCCCC(F)(F)C(F)(F)F 103525866 ILANUJINJBBYEL-UHFFFAOYSA-N 288.344 6.495 30 40 CKEB Fc1ccc(/N=C/c2cccn2-c2ccccc2)cc1Cl 408853343 NXAOELURAGQDNY-UDWIEESQSA-N 298.748 5.020 30 40 CKEB C=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 85975158 RNTRDTWDTOZSEV-RTBURBONSA-N 266.513 7.002 30 40 CKEB CCCCCC[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C 105022038 RTYXCGFATRRYHF-UHFFFAOYSA-N 287.492 6.980 30 40 CKEB CCCCCCCCCC(=O)c1ccc(CCCC)cc1 101470760 AIYRMEQNBHIEOS-UHFFFAOYSA-N 288.475 6.353 30 40 CKEB CCCCCCCCC[C@H](CCCCCCC)C(=O)O 100113714 YLZIMEJTDZWVJG-KRWDZBQOSA-N 284.484 6.188 30 40 CKEB CCCCCCCCSC1=NC(C)(C)C[C@H](C)O1 1760849 IURLXHZEKWMZRC-ZDUSSCGKSA-N 271.470 5.024 30 40 CKEB CCCCCCCc1ccc(-c2ccc(OC)cc2)nc1 33353045 DUKKMMYQNBPJKS-UHFFFAOYSA-N 283.415 5.270 30 40 CKEB Cc1ccc(/N=C/C=C(\O)c2ccc(Cl)cc2)cc1C 100104619 RZBRKWWYGSXNLN-QUBPRYNHSA-N 285.774 5.258 30 40 CKEB CC(C)(C)c1ccccc1/N=C/c1ccc2ccccc2n1 100566933 OYBFMRJSFUSTRE-KGENOOAVSA-N 288.394 5.283 30 40 CKEB CCCCCCCCS[C@H]1CCCCCC/C1=N\O 100945467 JLAPXXMMNUJNRP-UYTDBDHRSA-N 285.497 5.633 30 40 CKEB CCCCCC1CCC(c2ccc(C#N)c(Cl)n2)CC1 2066130 XRJGSZOFDYHPIL-UHFFFAOYSA-N 290.838 5.461 30 40 CKEB C[C@@H]1CC/C(=C\c2ccccc2)C(=O)/C1=C\c1ccccc1 17352739 CLIGIHASZVYIMB-UCHPGCGESA-N 288.390 5.153 30 40 CKEB Cc1cccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1 33378775 ZFQRERAKPYKCFN-VURMDHGXSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](N)C(=O)O 60118318 XRKBQVGBWJWJJJ-QGZVFWFLSA-N 299.499 5.270 30 40 CKEB CCCCCCCCCC(=O)c1ccc(C(C)C)cc1 101474298 IJZJTYJRKAFPCW-UHFFFAOYSA-N 274.448 6.133 30 40 CKEB Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)o1 298185 XZRKVEWDEICOKB-CPNJWEJPSA-N 276.339 5.082 30 40 CKEB C=CCNc1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1 98086471 DHBZFGANKKELJE-UHFFFAOYSA-N 282.774 5.086 30 40 CKEB FC(F)(F)CCCCCCCCCCCS 141175612 XRZJJAVEQZDUMB-UHFFFAOYSA-N 256.377 5.380 30 40 CKEB O=C(/C=C/c1ccccc1)c1ccccc1-c1ccccc1 575357529 IZSLIHJQHCWQDL-FOCLMDBBSA-N 284.358 5.250 30 40 CKEB CC/C=C(C)/C=C/C(=O)[C@@H](C)C[C@H](C)/C=C(\C)C(=O)CC 2332243380 ODKUSIVMRZWEJX-BHRLWLSTSA-N 290.447 5.056 30 40 CKEB C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]12 4026936 NNOLCPLJEUHKPQ-ORFRNNEJSA-N 290.491 5.909 30 40 CKEB C=CCCC/C=C/CN(C/C=C/CCCC=C)CCCC 5419330 BIJLDJQQJGLXMN-YXLFCKQPSA-N 289.507 5.914 30 40 CKEB C(CCCCCCC[C@@H]1CO1)CCCCCC[C@H]1CO1 17969022 WSOIAYXUPXLABQ-HDICACEKSA-N 282.468 5.245 30 40 CKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408738130 PGPVQFKCIMICDY-KGENOOAVSA-N 288.394 5.153 30 40 CKEB CCCCCCCCCCCCOc1ccc(Cl)cc1 1732217 GTIYWLZJQXTEGU-UHFFFAOYSA-N 296.882 6.640 30 40 CKEB N#C[C@@]12CCCC[C@@H]1CC1=C(CCCC1)N2c1ccccc1 2279424 PCKPVHHMIHMOOT-XLIONFOSSA-N 292.426 5.177 30 40 CKEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Cl)cc1 408778708 XBEJKFVDRBEIHL-YBFXNURJSA-N 298.773 5.091 30 40 CKEB CCCCCCCCCn1c(CC)nc2ccccc21 50861280 QPSQXEMILNAOKE-UHFFFAOYSA-N 272.436 5.349 30 40 CKEB Fc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59302817 FNMVPADXNNPDCK-UDWIEESQSA-N 298.748 5.020 30 40 CKEB CCCCCCCCCC(=O)OCCCC[C@H]1CCCO1 100300485 CAETXHDMWBEGGO-KRWDZBQOSA-N 298.467 5.020 30 40 CKEB CCCCCCCC(=O)Nc1ccccc1C(C)(C)C 100971281 IGUBKANFECEIER-UHFFFAOYSA-N 275.436 5.283 30 40 CKEB C(=N/[C@H]1[C@H]2CCC[C@@H]1C1=C(CCCC1)C2)\c1ccccc1 4951716 XFBAGFALBVWYDX-MYKATOCMSA-N 279.427 5.165 30 40 CKEB O=C(/C=C\c1ccccc1)c1ccc(C2CCCCC2)cc1 17301016 PSNXNXUTCMQGHA-WJDWOHSUSA-N 290.406 5.630 30 40 CKEB C=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 85975152 RNTRDTWDTOZSEV-OALUTQOASA-N 266.513 7.002 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@]1(C)c1ccc(F)cc1 5677737 XCPDRDOQRFNUOT-DOMQTXCISA-N 283.371 5.074 30 40 CKEB CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O 42765024 PDXZQLDUVAKMBQ-ZWKOTPCHSA-N 296.495 6.188 30 40 CKEB biogenic,in-vitro CCCCCCCCCC[N+]1(C)C[C@H]2CCCC[C@H]2C1 104360852 FWUGUWWARQCCAV-YOFSQIOKSA-N 280.520 5.394 30 40 CKEB CCCCCCCCCCCOC(=O)c1ccccc1 1595748 YEHGKFOTJWYCBN-UHFFFAOYSA-N 276.420 5.374 30 40 CKEB CCCCCCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 169795563 DJFMWXBOTDQZNH-UHFFFAOYSA-N 288.519 6.795 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(C)c2C)C1 408563109 IQGRAUUWNQDGQA-MAUBAPBLSA-N 299.458 5.405 30 40 CKEB Cc1ccc(Cl)c(/N=C\c2c(O)ccc3ccccc23)c1 1100238 AYQYWGWPBAJTQE-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB C=C[C@](C)(O)C[C@@H](C)CCCCC[C@H](C)CCCC(C)C 32218663 IOLVAUYSSNEWQQ-UFYCRDLUSA-N 296.539 6.363 30 40 CKEB Cc1cc(C)c(C(=O)/C=C\c2ccc(Cl)cc2)c(C)c1 4934469 HFATULWAYTVGCW-TWGQIWQCSA-N 284.786 5.161 30 40 CKEB C=C(C)C(=O)OCCCCCCCCCCCCC 86052003 KEROTHRUZYBWCY-UHFFFAOYSA-N 268.441 5.417 30 40 CKEB in-vitro CCCCCCCCCCCCCCCCNCCCO 100074729 MNUDVSZRVYIBDQ-UHFFFAOYSA-N 299.543 5.440 30 40 CKEB CCCCCCCCCCC[C@@H](c1ccccc1)N(C)C 1686046 JOMMTYCHJMELMQ-FQEVSTJZSA-N 289.507 6.210 30 40 CKEB C=CCOc1ccccc1/N=N/c1ccccc1OCC=C 6317499 YEFMHIBICVNSHM-FMQUCBEESA-N 294.354 5.232 30 40 CKEB CCc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 575299 LXGYSUQNTHJYBO-VCHYOVAHSA-N 278.182 5.306 30 40 CKEB Cc1ccc(/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 17197432 RHDMGURICNGYKG-PGMHBOJBSA-N 298.385 5.419 30 40 CKEB O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 40448135 JZSQCNVFKKVLMF-ZZXKWVIFSA-N 295.140 5.029 30 40 CKEB CCCCCCC[C@H]1CCC/C1=N/OC(=O)C(C)(C)C 100165832 CGHXVRXFCNGJHN-JZYMCLRRSA-N 281.440 5.092 30 40 CKEB COc1ccc(/C=N/c2ccc(Cl)cc2)c2ccccc12 293894 LHKADBYNTJOFAX-UDWIEESQSA-N 295.769 5.252 30 40 CKEB CCCCCCCCCC[C@H](O)CCCCCCCCC 101673555 XYQREBYZFVVGCJ-HXUWFJFHSA-N 298.555 7.019 30 40 CKEB Cc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1 4320766 SWPIQWFGRAZJMD-VQHVLOKHSA-N 294.325 5.085 30 40 CKEB C=CCCCCCCCC[C@H]1OCC(C)(C)[C@H](C(C)C)O1 4430194 YPYNEVLQTMVQRM-ROUUACIJSA-N 296.495 5.717 30 40 CKEB CCCCCCCCCCC[C@@H](O)c1cccc(C)c1O 101460529 YLVKJLIBAMKWDH-GOSISDBHSA-N 292.463 5.655 30 40 CKEB CCCCCCC(=O)/C=C/c1ccc(Cl)cc1Cl 1727169 GYUAJPUNRBVZJZ-CSKARUKUSA-N 285.214 5.546 30 40 CKEB CCCCCCCCCC[N+]1(C)Cc2ccccc2C1 1677262 UTGFEKMAORBPGM-UHFFFAOYSA-N 274.472 5.288 30 40 CKEB CCCCCCCCCCCC[C@H]1CCC(=O)O1 85508720 SRIFJCOBFTWCTM-HNNXBMFYSA-N 254.414 5.003 30 40 CKEB endogenous,in-man c1ccc(CC[C@@H]2CCCS/C2=N/c2ccccc2)cc1 104319235 NHIQXRUCYGNWBY-NRTINQSCSA-N 295.451 5.493 30 40 CKEB CSc1ccc(/C=N/c2cccc(Cl)c2C)cc1 96250 SCLLCNNCJCPRJO-LICLKQGHSA-N 275.804 5.121 30 40 CKEB Cc1ccccc1N/C(=N\c1ccccc1)c1ccccc1 5337848 BVOADPAARCZKOI-UHFFFAOYSA-N 286.378 5.185 30 40 CKEB CC(c1ccc(N=[N+]=[N-])cc1)c1ccc(N=[N+]=[N-])cc1 71404919 OFDYKPAMVJMLCJ-UHFFFAOYSA-N 264.292 5.722 30 40 CKEB CCCCCCCCCCCC(=O)OC(C)(C)C 1675380 WJXKWIFHRZWPET-UHFFFAOYSA-N 256.430 5.249 30 40 CKEB CCCCCCCCCC[C@@H]1CN(CCCC)CCO1 100923454 KTPDUPBFKLHABD-GOSISDBHSA-N 283.500 5.018 30 40 CKEB CCCCCCCCCC(=O)c1ccc(Cl)cc1 101471961 BFZZQFGWBDDNFV-UHFFFAOYSA-N 266.812 5.663 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(C)c1C 101472926 ABMYJDCDOPWKGD-UHFFFAOYSA-N 288.475 6.407 30 40 CKEB CCCCCCCCCC(=O)c1cc(F)ccc1C 101474063 BDRWNSIOWVCSER-UHFFFAOYSA-N 264.384 5.458 30 40 CKEB CCCCCCCNCc1c(Cl)cccc1Cl 102568306 UNVSAGRXPWZZCS-UHFFFAOYSA-N 274.235 5.053 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1cc(C)cc(C)c1 999092 SPXJAEBLWRKDOO-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB CCCCCCCCC(=O)c1ccc(O)c2nc(C)ccc12 100935837 DDGUKQOVAIZLLU-UHFFFAOYSA-N 299.414 5.182 30 40 CKEB Cc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)cc1 40448133 MBBWNTKBIFPDOA-VOTSOKGWSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCCCCCCCCCC=O 59725620 SXIYYZWCMUFWBW-UHFFFAOYSA-N 282.512 6.837 30 40 CKEB biogenic Cc1cc(Cl)ccc1/N=C\c1c(O)ccc2ccccc12 95920281 NFAGAAJKIGOLTI-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCCCCCCCCCCC(C)C 82042139 MLKZKPUBHSWMNA-UHFFFAOYSA-N 296.583 8.294 30 40 CKEB in-vitro CCCCCCCCCN(C)CCCCCCCCC 103008383 IITLRKXIQJEWFI-UHFFFAOYSA-N 283.544 6.419 30 40 CKEB CCCCCCCC#Cc1ccc(F)c(Cl)c1 101734728 BHSJIJJWWKPZNY-UHFFFAOYSA-N 252.760 5.191 30 40 CKEB CCCCCCCCCc1ccc(OC(=O)CC)cc1 1693248 CHNLOAFHGNPEQR-UHFFFAOYSA-N 276.420 5.295 30 40 CKEB CCCCCCCCCCc1ccc(C(=O)CC)cc1 100069911 RDFGJRYRWZBPAY-UHFFFAOYSA-N 274.448 5.963 30 40 CKEB CCCCCCCCCC(=O)c1cccc(Cl)c1 101471863 FQYLWYGWVDNTJI-UHFFFAOYSA-N 266.812 5.663 30 40 CKEB CC(C)c1ccccc1N=Cc1ccc2ccccc2c1O 260840558 CGGWQFXLKJNIDX-UHFFFAOYSA-N 289.378 5.419 30 40 CKEB C=CCCc1ccc(C#Cc2ccc(CCC=C)cc2)cc1 90735728 DOTOVEIVWNKSJT-UHFFFAOYSA-N 286.418 5.324 30 40 CKEB C=C(C)CCCCCCCCCCCCCCC 100941881 ZKRHEOXJNQPNQD-UHFFFAOYSA-N 252.486 7.044 30 40 CKEB C=C(C)[C@@H]1CCC(C)=C1CC(C)(C)/C=N/Cc1ccco1 518238 WJNXJWPKPRITFS-NNIWKIFQSA-N 285.431 5.569 30 40 CKEB biogenic Cc1ccc(C)c(C(=O)/C=C/Nc2c(C)cccc2Cl)c1 44844598 RNWBYDZIDNUYHT-MDZDMXLPSA-N 299.801 5.074 30 40 CKEB CC(/C=N\c1c(C)ccc(C(C)C)c1O)=C\c1ccccc1 104372160 GAFPREISOZXBSX-NQNNONOWSA-N 293.410 5.630 30 40 CKEB CCCCCCC[N+](C)(C)CC1=CC[C@@H]2C[C@H]1C2(C)C 2105777 BEURXEUMCUJWMG-QZTJIDSGSA-N 278.504 5.026 30 40 CKEB C=CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Cl 8368024 WALPBMKYGCOWGU-UDWIEESQSA-N 299.801 5.272 30 40 CKEB CCCCCCCCCCC(=O)Nc1cccnc1Cl 97941787 NGXNTOYRYJXPDA-UHFFFAOYSA-N 296.842 5.204 30 40 CKEB CCCCCCCCC[C@@H]1OC[C@@H](c2ccccc2)O1 1677459 JEBLFZKNRZFOMZ-ZWKOTPCHSA-N 276.420 5.241 30 40 CKEB C/C(=N\Nc1cccc2ccccc12)c1ccc(Cl)cc1 14922820 SAJTWOOZZGKHLJ-DEDYPNTBSA-N 294.785 5.329 30 40 CKEB CCCCCCCCSCCCCCCCO 100241645 AUXDZQKSFUXKAI-UHFFFAOYSA-N 260.487 5.023 30 40 CKEB C=CC(=C)CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C 229787442 JTWQQJDENGGSBJ-UMGGQSCQSA-N 290.491 5.502 30 40 CKEB CC1(C)C(=Nc2ccccc2)C(C)(C)C1=Nc1ccccc1 1718057 PPLWKAVZYGOSAY-UHFFFAOYSA-N 290.410 5.598 30 40 CKEB CCCCCCCCS[C@@H]1CCCCCC/C1=N\O 100945465 JLAPXXMMNUJNRP-IBOXJLQUSA-N 285.497 5.633 30 40 CKEB N#Cc1c(Cl)cccc1Sc1ccc(Cl)cc1 142863 UCXMCFUSNMRWQZ-UHFFFAOYSA-N 280.179 5.016 30 40 CKEB CCCCCCCCc1cc(Cl)c(O)c(Cl)c1 1595033 PJUWJQDQGVXGEI-UHFFFAOYSA-N 275.219 5.602 30 40 CKEB CCCCCCCCCCCCCCCCC(F)(F)F 103526101 OGOLIFVLBMOUIV-UHFFFAOYSA-N 294.445 7.420 30 40 CKEB O=C(/C=C/N(c1ccccc1)c1ccccc1)c1ccccc1 1571592 REVZDQYGWSDUJK-WUKNDPDISA-N 299.373 5.221 30 40 CKEB CC(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1 44603405 WZOOWBFHZCCVID-BOPFTXTBSA-N 280.392 5.140 30 40 CKEB CCc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2C)cc1 409099855 MAVLKQFPZBCJSK-VAWYXSNFSA-N 299.801 5.019 30 40 CKEB CCCCCCC(/C=C\c1ccccc1Cl)=N\O 17060395 VFGRQGQSCTYMFC-KMAOEOGZSA-N 265.784 5.154 30 40 CKEB CCCCCCCCCCCCC[C@H](C)C(=O)O 100036487 XEFOHUNTIRSZAC-HNNXBMFYSA-N 256.430 5.408 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCSC(=S)N(C)C 100311703 QYBOYCFEQPGIFV-UHFFFAOYSA-N 289.554 5.487 30 40 CKEB CCCCCCCC[C@H]1N[C@@H]1CCCCCCCC 104156507 KUFBWADZXJUZBU-QZTJIDSGSA-N 267.501 5.828 30 40 CKEB c1ccc(CC[C@H]2CCCS/C2=N/c2ccccc2)cc1 104319240 NHIQXRUCYGNWBY-NHKNDPDJSA-N 295.451 5.493 30 40 CKEB C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)OC(=O)C(C)C 1697421 TXLYSYOKEBFFAC-BLMOFCDVSA-N 292.463 5.603 30 40 CKEB C(=C/c1ccccc1)\C=N\n1c2ccccc2c2ccccc21 1954713 RPDKBAYLZKCNBY-QUYAADPBSA-N 296.373 5.342 30 40 CKEB CCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1 101474417 XACYPLZTDNJBRP-UHFFFAOYSA-N 298.426 5.782 30 40 CKEB C#C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 299817128 FCLMKCFLVGHPHY-JLNKQSITSA-N 298.426 5.216 30 40 CKEB in-vitro C=C[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 3771130 IGGWKHQYMAJOHK-GRLGQGAKSA-N 290.491 5.743 30 40 CKEB biogenic,in-vitro Cc1c(Cl)cccc1/N=C\c1c(O)ccc2ccccc12 61223 UQPWYKVHTMCVFB-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB C=CCCCCCCCCCOC(=O)C(CC)CC 4723087 GKKATAQLRRUHHC-UHFFFAOYSA-N 268.441 5.273 30 40 CKEB CCCCC[C@H](CSCC)C(=O)/C=C\c1ccccc1 17125316 WUSCEWCYPXVUFP-LKBMAGLMSA-N 290.472 5.219 30 40 CKEB CCCCCCCCCCCC(=O)c1ccc(F)cc1 101474224 ZUJDDISGMLHFDZ-UHFFFAOYSA-N 278.411 5.929 30 40 CKEB CCCCCCC[C@H]1CC[C@H](c2ccc(F)cc2)CC1 100003308 ZPNZXIUICNXXNC-CALCHBBNSA-N 276.439 6.460 30 40 CKEB CCCCCCCCCCCCCCN1CCSCC1 104190156 HRORAWWYWNKMTI-UHFFFAOYSA-N 299.568 5.736 30 40 CKEB CCCCCCCCCCCCCC[N+]1([O-])CCOCC1 104190163 BWRZAIJDYNTWQA-UHFFFAOYSA-N 299.499 5.032 30 40 CKEB Clc1ccc(/C=N/c2ccc3c4c(cccc24)CC3)cc1 3153497 PAPYCZAKKAIAEO-CIAFOILYSA-N 291.781 5.342 30 40 CKEB C#C[C@@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 3881366 MULUCORRSAVKOA-HSALFYBXSA-N 294.523 5.810 30 40 CKEB CC[C@@H]([C@@H]1CC=CCC1)[C@](C#N)(CC)c1ccc(OC)cc1 4961997 BVUZDCCMZPSBJC-UXPWSPDFSA-N 297.442 5.249 30 40 CKEB N#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 6093641 YXNZJCUXYIKKRE-UHFFFAOYSA-N 273.407 5.077 30 40 CKEB C=CCOc1ccc(Cl)cc1/C=N/c1cc(C)ccc1C 8367957 OCXNOKQAIRFSQT-UDWIEESQSA-N 299.801 5.272 30 40 CKEB CCN1C=C/C(=C\C=N\c2ccccc2)c2cc(C)ccc21 13286520 LSAMIXIQNVGGLO-JLTZJLITSA-N 288.394 5.135 30 40 CKEB CCCCCCC(=O)/C=C/CCCCCCCCC(=O)O 31778290 HOGGRKZIIRPLLG-NTCAYCPXSA-N 296.451 5.288 30 40 CKEB CCCCCCCNCc1ccc(Cl)c(Cl)c1 102565135 UFMBJZDVPLNEPY-UHFFFAOYSA-N 274.235 5.053 30 40 CKEB CCCCCCC/C(C)=N/Nc1nc2ccccc2s1 102990148 RNSVRXVUESDKTG-QGOAFFKASA-N 289.448 5.445 30 40 CKEB C=C(C)Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 95902227 LXYFDDTZIGBKRZ-UHFFFAOYSA-N 264.412 5.770 30 40 CKEB CCCCCCCCCCCCCC(=O)N1CCCC1 100304338 LHCODHVVGGYIOZ-UHFFFAOYSA-N 281.484 5.310 30 40 CKEB CCCCCCCCCCC#Cc1cc(C)ccc1C 101735608 VVRCQZDYLVRGQV-UHFFFAOYSA-N 270.460 6.186 30 40 CKEB C=CCCSc1ccc(-c2ccc(C#N)c(F)c2)cc1 2049110 JIKWWTZCGLFJLK-UHFFFAOYSA-N 283.371 5.033 30 40 CKEB CCCCCCCNCc1ccc(-c2ccccc2F)o1 102561091 PKAJFSWZWBGQGD-UHFFFAOYSA-N 289.394 5.146 30 40 CKEB CCCCCCCc1ccc(C(=O)c2ncccc2C)cc1 100593666 KOSXLXVLKCMHRN-UHFFFAOYSA-N 295.426 5.134 30 40 CKEB C[C@H](/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 102921531 XOHSVXHUTPVGTP-DZUMZMOTSA-N 294.785 5.068 30 40 CKEB CC(C)c1ccccc1N=Cc1c(O)ccc2ccccc12 254346970 DAAGFIDTCQPUJC-UHFFFAOYSA-N 289.378 5.419 30 40 CKEB CCCCCCCCCCCCCCNCCCC 59378491 UJKKZYQQIARLRJ-UHFFFAOYSA-N 269.517 6.077 30 40 CKEB CCCCCCCCCCCCCCCCNC(C)=O 100061130 WZGQRPGQTOSEMN-UHFFFAOYSA-N 283.500 5.604 30 40 CKEB CCCCS/C=C1\CC[C@H]2C(C)(C)CCC[C@]2(C)C1=O 4114343 JNWCCCRKOJKPKR-CRXRLTJJSA-N 294.504 5.599 30 40 CKEB CC[C@@H]([C@H]1CC=CCC1)[C@](C#N)(CC)c1ccc(OC)cc1 4961996 BVUZDCCMZPSBJC-VDGAXYAQSA-N 297.442 5.249 30 40 CKEB Clc1cccc(/N=C\c2ccc(Cl)cc2Cl)c1 17315465 WQOLVZSVRHGODE-IUXPMGMMSA-N 284.573 5.397 30 40 CKEB CCCC[P+](CCCC)(CCCC)Cc1ccccc1 50075883 IKNWWJMESJSJDP-UHFFFAOYSA-N 293.455 6.605 30 40 CKEB C=CCN1c2ccccc2Sc2ccc(Cl)cc21 547069 JDAQQRWJGDEVJG-UHFFFAOYSA-N 273.788 5.129 30 40 CKEB in-vitro C/C=C/C=C\C(=O)OCCCCCCCCCCCC 104345904 SUWOMTFOTLRLNL-BDLAROTJSA-N 280.452 5.583 30 40 CKEB C=CCCCCCCCCC(=O)Nc1cccc(F)c1 3156711 AHLDPRNTOBBWCM-UHFFFAOYSA-N 277.383 5.071 30 40 CKEB CCCCCCCCCCN1C[C@H]2CCCC[C@H]2C1 104363878 IUGJCMRSMFVGHE-HDICACEKSA-N 265.485 5.249 30 40 CKEB Cc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1C 408959899 HUMNRKOHHRWRNX-RCCKNPSSSA-N 292.426 5.044 30 40 CKEB C=CCCCCCCCCCOC(=O)Cc1ccccc1 4723085 DDPYZHHNBIOVSM-UHFFFAOYSA-N 288.431 5.079 30 40 CKEB Cc1c(C)c(C)c(C(=O)/C=C/c2cccs2)c(C)c1C 5212008 RTBSPCVSDOYMOV-CMDGGOBGSA-N 284.424 5.186 30 40 CKEB CCCCCC#CC/C=C\CCCCCCCC(=O)O 13512399 SAOSKFBYQJLQOS-KTKRTIGZSA-N 278.436 5.332 30 40 CKEB in-vitro CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCCC2 2272132 BDJHZFAZWMZIRI-UHFFFAOYSA-N 260.421 5.075 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1ccc2ccccc2c1O 32101624 XPRDZGRLCKHXQD-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB COc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 3074217 PECZEYXAIOTAOA-UHFFFAOYSA-N 299.373 5.128 30 40 CKEB CC(C)(C)C[C@H](S)c1ccc(C(C)(C)C)cc1 5283968 YZMHKFIPNZUZQO-AWEZNQCLSA-N 250.451 5.391 30 40 CKEB CCc1ccc(C(=O)/C=C\Nc2ccc(C)c(Cl)c2)cc1 16161449 YPNDTIPOYCRKCD-KHPPLWFESA-N 299.801 5.019 30 40 CKEB CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525648 GCGLJPKSBPQKMM-UHFFFAOYSA-N 296.270 5.960 30 40 CKEB CCCCCCCC1CCC(C2CCC(=O)CC2)CC1 59450104 DEYGUJWZTIDMKR-UHFFFAOYSA-N 278.480 5.913 30 40 CKEB CCCCCCCCCCCCNc1ccccn1 1726074 XCIVYFPIDWCXHK-UHFFFAOYSA-N 262.441 5.414 30 40 CKEB CCCCCC/C=C/C=C\CCCCCCCC(=O)OC 34058719 KVIWYYOMPLJRMC-OCBXPSTGSA-N 294.479 5.973 30 40 CKEB in-vitro C=C(C)[C@H]1C[C@@H](CC)C(C)=C1CC[C@@H](C)OC(=O)C(C)C 4783325 UUFPXEQEJWULTJ-QGPMSJSTSA-N 292.463 5.293 30 40 CKEB CCCCCCCCCCSC(C)(C)/C(C)=N/O 100934750 VUZFMZXPOIYKFT-JQIJEIRASA-N 273.486 5.489 30 40 CKEB Cc1ccc2ccccc2c1/C=C\C#Cc1ccccc1 8383924 LRJNFWIYZJOMHD-QPEQYQDCSA-N 268.359 5.213 30 40 CKEB C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 101138285 NNOLCPLJEUHKPQ-MSJBJCGKSA-N 290.491 5.909 30 40 CKEB C=CC(=C)CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 4369791 JTWQQJDENGGSBJ-HNJRGHQBSA-N 290.491 5.502 30 40 CKEB in-vitro,metabolite Cc1ccccc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 5218713 YDRNHEDMTCYULX-VQHVLOKHSA-N 291.177 5.198 30 40 CKEB C=CC(=C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 5644989 JTWQQJDENGGSBJ-LCLWPZTBSA-N 290.491 5.502 30 40 CKEB in-vitro,metabolite CCCCCCCCC[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 1674923 FCAVVOPVRVMADY-SJORKVTESA-N 284.484 5.551 30 40 CKEB CCCCCCCCCCC#Cc1ccc(C)c(C)c1 101735680 MANHAPSCQRVHSX-UHFFFAOYSA-N 270.460 6.186 30 40 CKEB Cc1ccc(/C(O)=C/C=N/c2cccc(Cl)c2C)cc1 100035571 PIUYHDPWVDYLSW-ALAONZSNSA-N 285.774 5.258 30 40 CKEB C=C(C)Cc1ccc(OCCCCCCCC)cc1 101105483 LVGWPCJDYFORPW-UHFFFAOYSA-N 260.421 5.545 30 40 CKEB CCCCCCCC(=O)c1ccc2cc(OC)ccc2c1 101474415 HKPQNWSOZSPBJI-UHFFFAOYSA-N 284.399 5.392 30 40 CKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)cc(C)c1O 108251722 YMITVYSOJVSNHN-LSCVHKIXSA-N 294.181 5.066 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(C)c(C)c2)C1 408563096 ILQUQNBLPGJHGF-MAUBAPBLSA-N 299.458 5.405 30 40 CKEB CCCCCCCCSC(=S)Nc1ccccc1 1692462 IGWTWEINFRRYTK-UHFFFAOYSA-N 281.490 5.477 30 40 CKEB CCCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1 6941588 HMOWOJFGQRWLEY-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCCCCC[C@H](O)CCCCC 100302811 AGITVGTVVWLRGX-QGZVFWFLSA-N 256.474 5.849 30 40 CKEB CCCCCCCCCC(=O)c1cccc(F)c1 101474146 FTEWPZMYIMRVQQ-UHFFFAOYSA-N 250.357 5.149 30 40 CKEB CCCCCCCNCc1cccc(Cl)c1Cl 102565137 QBRJXKQMWADIJS-UHFFFAOYSA-N 274.235 5.053 30 40 CKEB Cc1cc(O)c(C(C)C)cc1/N=C\C=C\c1ccccc1 104343218 WGSOFWGAEOWGGL-VTGAJVDQSA-N 279.383 5.240 30 40 CKEB Cc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c(C)c1 51318627 ACWMTHRRJQRBDD-VAWYXSNFSA-N 293.410 5.235 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(F)c1 101474151 RRDPYHXMYWCSFZ-UHFFFAOYSA-N 278.411 5.929 30 40 CKEB CCCCCCCCCCCC(=O)N1CCC(C)CC1 105465605 AASVLUZOZGZMDN-UHFFFAOYSA-N 281.484 5.166 30 40 CKEB CCOc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 575475 JCUKSFDAMWKROZ-VCHYOVAHSA-N 294.181 5.143 30 40 CKEB CSc1ccccc1/N=C/c1sc2ccccc2c1O 6408393 YOEQDVYXSMDYTK-LICLKQGHSA-N 299.420 5.079 30 40 CKEB Cc1ccc(C)c(/N=C/c2c(Cl)cccc2Cl)c1 59519264 VKQCBZWCAVAYGW-GIJQJNRQSA-N 278.182 5.361 30 40 CKEB Cc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)c(C)c1 71977109 IGSSTQDUZWFVHO-XYOKQWHBSA-N 278.395 5.323 30 40 CKEB CCOc1ccc(Cl)cc1/C=N/c1cccc(C)c1C 6963887 BZHFRUUBYSDTEC-YBFXNURJSA-N 287.790 5.106 30 40 CKEB CCCCCCCCCCC#Cc1ccc(C(C)C)cc1 101734934 HQLBXWLJYMABPH-UHFFFAOYSA-N 284.487 6.692 30 40 CKEB CCCCCCCCCCCC(=O)/C=C/c1ccccc1 2026336 OCOPJESYLDPMTN-ISLYRVAYSA-N 286.459 6.190 30 40 CKEB CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O 42765010 PDXZQLDUVAKMBQ-MSOLQXFVSA-N 296.495 6.188 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCCC[N+]1([O-])CCCCC1 104198985 MARNZTUAFBJEEV-UHFFFAOYSA-N 297.527 6.186 30 40 CKEB Cc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)c(C)c1 408960046 IMHMVBILNKPKTR-QNGOZBTKSA-N 292.426 5.044 30 40 CKEB CCCCCCCC#Cc1ccc(CCCC)cc1 101735213 LKVAQYOJSQNEEY-UHFFFAOYSA-N 256.433 5.741 30 40 CKEB Oc1ccc(/N=C/c2sc3ccccc3c2Cl)cc1 13118203 LJJDNVLRFSTAGH-RQZCQDPDSA-N 287.771 5.011 30 40 CKEB CCCCCCCC/C=C/CCCCCCCC 60072752 HSNQNPCNYIJJHT-ISLYRVAYSA-N 252.486 7.044 30 40 CKEB in-vitro CCCCCCCCCCCCC/C=C\C(F)(F)F 575330495 QPRAEJGGUOQJPN-PFONDFGASA-N 278.402 6.806 30 40 CKEB C=CCCCCCCCCC1OCC(C)(CC)CO1 4783524 BLFLNKGBTIQVOT-UHFFFAOYSA-N 268.441 5.082 30 40 CKEB CCCCCCCC/C=C\CCCCCCCC 64624309 HSNQNPCNYIJJHT-ZCXUNETKSA-N 252.486 7.044 30 40 CKEB in-vitro CC[C@H](C)c1ccc(/N=C/c2cc(C)n(CC)c2C)cc1 409096388 KEZHBJNVJAZRQW-ZXOFLVKFSA-N 282.431 5.389 30 40 CKEB C=C[C@](C)(O)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C 14655005 IQDXAJNQKSIPGB-ZRIKDMQPSA-N 290.491 6.123 30 40 CKEB endogenous,in-man C=CCCSc1ccc(-c2ccc(C#CC)cc2)cc1 2049138 IUWQVLDOOSWTLQ-UHFFFAOYSA-N 278.420 5.393 30 40 CKEB C=CCCCCCCCCc1nc2ccccc2[nH]1 2296170 NQYZXJNMGPUZLW-UHFFFAOYSA-N 256.393 5.022 30 40 CKEB C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]12 4026934 NNOLCPLJEUHKPQ-PRHYDEJPSA-N 290.491 5.909 30 40 CKEB C=CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4704603 WFERUZXUHGMWPS-UHFFFAOYSA-N 293.391 5.287 30 40 CKEB CCCCCCCC#Cc1ccc(OC(C)(C)C)cc1 101732737 LIGOJMNVHLDVAP-UHFFFAOYSA-N 272.432 5.576 30 40 CKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)C1CCCCC1 1570609 YGBYJPWPAIVCHU-VQHVLOKHSA-N 283.198 5.156 30 40 CKEB C(=N\c1ccc(/N=C/c2cccs2)cc1)\c1cccs1 100212156 CVNPKIOJKWDPBA-MJZABRMRSA-N 296.420 5.311 30 40 CKEB CCCCCCCCCCCC[C@H](C)C(=O)OCC 101105947 UOEPHBOLYJPFHY-INIZCTEOSA-N 270.457 5.497 30 40 CKEB C/C=C/C(=O)OCCCCCCCCCCCC 104071923 PJJDTHSONOWIIH-LNKIKWGQSA-N 254.414 5.027 30 40 CKEB CCCCCCCCCCCCC[C@H](O)CCCC 101673602 QANCZOOABLPKBN-GOSISDBHSA-N 270.501 6.239 30 40 CKEB C=C(C)C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 575242863 LJNCDBIHCLBMEZ-UHFFFAOYSA-N 272.432 5.816 30 40 CKEB O=C(/C(=C\Nc1ccccc1)c1ccccc1)c1ccccc1 4235465 XASRYHCSJKQTGE-SILNSSARSA-N 299.373 5.023 30 40 CKEB CC/C(C)=N/Nc1nc2ccc(-c3ccccc3)cc2s1 40542455 ZKSSHXFSCSZACL-XDHOZWIPSA-N 295.411 5.161 30 40 CKEB CCCCCCC(/C=C\c1ccccc1Cl)=N/O 104187832 VFGRQGQSCTYMFC-VVTAYZPUSA-N 265.784 5.154 30 40 CKEB CCc1ccccc1/N=C/c1ccc(-c2cccc(F)c2)o1 409009348 DLZCBZYHPJOREW-FYJGNVAPSA-N 293.341 5.399 30 40 CKEB N#C[C@H](CCc1ccccc1)c1ccc2ccccc2c1 2044217 CDPIATPBGZFLQE-FQEVSTJZSA-N 271.363 5.080 30 40 CKEB Cc1cc(C)c(/N=C/Nc2c(C)cc(C)cc2C)c(C)c1 5587365 VSPPKNZKMVKGNX-UHFFFAOYSA-N 280.415 5.309 30 40 CKEB CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)O 70457495 RXBFKZNLXJKTLQ-VMEIHUARSA-N 298.467 5.079 30 40 CKEB biogenic,in-vitro CCCCCC[C@](C)(O)C#Cc1ccc(CCCC)cc1 95633287 DLLGJGCGACVAHJ-FQEVSTJZSA-N 286.459 5.102 30 40 CKEB CCCCCCCCCC(=O)Nc1ccc(C)c(C)c1 97941768 PNBHLLFUVJYVFP-UHFFFAOYSA-N 275.436 5.383 30 40 CKEB CCCCCCCCC(CCCCCCCC)NN 199547688 OCDMBGWPCBAMGZ-UHFFFAOYSA-N 270.505 5.320 30 40 CKEB CCCCCCCCCCCC(=O)OCCCCCC 85659455 CMBYOWLFQAFZCP-UHFFFAOYSA-N 284.484 6.031 30 40 CKEB CCc1cccc(C)c1/N=C\c1c(O)ccc2ccccc12 100248293 XJVCLOOVJXOQEB-BKUYFWCQSA-N 289.378 5.167 30 40 CKEB CCCCCCCCCCNC(=S)Nc1ccccc1 3156937 UVUCPCPTOJJVOL-UHFFFAOYSA-N 292.492 5.114 30 40 CKEB CC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1 5797278 FHELVLYESJUGRR-MXWIWYRXSA-N 264.372 5.188 30 40 CKEB Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)s1 6340932 NEJNJRJXUISYDH-FNORWQNLSA-N 297.206 5.259 30 40 CKEB Cc1cc(N=[N+]=[N-])c2cc(C3CCCCC3)ccc2n1 16942254 JJOIVOFZCSAEAE-UHFFFAOYSA-N 266.348 5.533 30 40 CKEB CCCCCCCCCC(=O)CCC/C=C\C=C\C(=O)O 67902546 MECYDNMVWUSMSU-YTLDOUCOSA-N 294.435 5.064 30 40 CKEB biogenic,in-vitro CCCCCCCSc1ccc(Br)cc1 100799856 PHYGGWRQEQXFDS-UHFFFAOYSA-N 287.266 5.512 30 40 CKEB CCCCCCC[C@H](C)Oc1ccc(C=O)cc1OCC 1792804 UEPLPBDNZKRAPB-HNNXBMFYSA-N 292.419 5.026 30 40 CKEB CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 5293203 KBJRQLPRQAHSQE-AWNIVKPZSA-N 298.813 5.534 30 40 CKEB CCCCCCCCCCCCCCCCCC[C@H]1CO1 100011516 BHZBVWCLMYQFQX-FQEVSTJZSA-N 296.539 7.037 30 40 CKEB in-vitro CCCCCCCCCCCCSC(C)(C)/C=N/O 103005719 SVDNWEQVXVMMEX-BMRADRMJSA-N 287.513 5.879 30 40 CKEB SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5007955 PMJSBVNTLUFLPL-UHFFFAOYSA-N 296.433 5.383 30 40 CKEB C=C[C@](C)(O)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C 31333823 IQDXAJNQKSIPGB-MDFPBUSTSA-N 290.491 6.123 30 40 CKEB C#CCCCCCCCCCCCCCCCO 34554968 UJWWDCNQTPUQRZ-UHFFFAOYSA-N 252.442 5.073 30 40 CKEB in-vitro CCCCCCCCCC[C@@H](O)c1cccc(C)c1O 100922082 KFEBKPUOJKMVAG-QGZVFWFLSA-N 278.436 5.265 30 40 CKEB CC(C)(C)C(=NSc1ccccc1[N+](=O)[O-])C(C)(C)C 2196881 ADYXEVJGOCVTJC-UHFFFAOYSA-N 294.420 5.135 30 40 CKEB CCCCCCCCCC[C@@H](C(=O)O)c1ccccc1 3033137 ARZPLMVRBAELFW-QGZVFWFLSA-N 276.420 5.386 30 40 CKEB CCCCCCCCCCc1ccc(O)c2nc(C)ccc12 59608700 CPBBETYTPZGAHY-UHFFFAOYSA-N 299.458 5.932 30 40 CKEB CCCCCCCCCC(=O)c1cc(Cl)ccc1C 101471793 WUUIMUBFCBYCPZ-UHFFFAOYSA-N 280.839 5.972 30 40 CKEB CC(C)c1cccc(C(C)C)c1/N=C/c1ccco1 384791 FHPBQVHTSGGPAB-WOJGMQOQSA-N 255.361 5.277 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC(C)(C)CO[C@H]1c1ccccc1 2105984 QJMJQQKEWWQJQY-PMACEKPBSA-N 298.470 6.093 30 40 CKEB biogenic CCCCCCCCC/C=C\CCCCC(=O)O 85617707 NNNVXFKZMRGJPM-KHPPLWFESA-N 254.414 5.328 30 40 CKEB in-vitro CCCCCCCCCCCCC(=O)N1CCCCC1 104158081 ZAILEXMMRLASHM-UHFFFAOYSA-N 281.484 5.310 30 40 CKEB CCC/C(=N\N=C(/CCC)c1ccccc1)c1ccccc1 13940181 STNJLWRYHDHVSK-FLFKKZLDSA-N 292.426 5.480 30 40 CKEB CCCCCCCC/C=C/CCCCCCCCCC 79022953 UVLKUUBSZXVVDZ-HTXNQAPBSA-N 280.540 7.824 30 40 CKEB CCCCCCCCCCCC[C@@H]1CCC[C@@H](C)C1 100304140 IBPYRQACWYCFPT-RTBURBONSA-N 266.513 7.124 30 40 CKEB O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 5278423 IOGCSUPDVDJIOL-CAPFRKAQSA-N 284.358 5.110 30 40 CKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(C)c1 409203548 YSDMTKIPGRDCDE-UDWIEESQSA-N 299.801 5.272 30 40 CKEB CCCCCCCCCCCCN(CCC)CCC 100076657 JSSIRAZXLJEWTJ-UHFFFAOYSA-N 269.517 6.029 30 40 CKEB CCCCCCCCCCCCCCCCN[C@@H](C)CC 104363781 SSBQFQCKSWAFNU-FQEVSTJZSA-N 297.571 6.856 30 40 CKEB CC(=C=CC(C)(C)/C=N/c1ccccc1C)CCC=C(C)C 2124346 JIOLRSCNUBFHEZ-CJLVFECKSA-N 295.470 6.571 30 40 CKEB biogenic C=C[C@H]1CC[C@H](C2CCC(c3ccc(C)cc3)CC2)CC1 245204437 BCUMFFLWJNKNOU-SNXBXODESA-N 282.471 6.261 30 40 CKEB C=CCC1(Nc2c(CC)cccc2CC)CCCCC1 2254313 PBOVMOVFJANTJK-UHFFFAOYSA-N 271.448 5.502 30 40 CKEB CCCCCCCCCCCCC[C@H]1CCC(=O)O1 8384089 ZZKHCCCWEVWBPD-INIZCTEOSA-N 268.441 5.393 30 40 CKEB CCCCCCCC[P@](=O)(O)C[C@@H](C)CC(C)(C)C 90132803 GCFDZWNAGYKLMK-HNNXBMFYSA-N 290.428 5.690 30 40 CKEB CCCCc1ccc(/N=C/C=C(\O)c2ccc(C)cc2)cc1 100035548 ZFDXHCDXONABHZ-TVGQLCNQSA-N 293.410 5.639 30 40 CKEB N#Cc1ccc(CSCc2cccc3ccccc23)cc1 58238563 MYAUQPXVJPCAQX-UHFFFAOYSA-N 289.403 5.145 30 40 CKEB Cc1ccc(Cl)c(N=Cc2c(O)ccc3ccccc23)c1 260840537 AYQYWGWPBAJTQE-UHFFFAOYSA-N 295.769 5.258 30 40 CKEB Cc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 5548975 QSLQRCSNICLJHB-RCCKNPSSSA-N 287.362 5.538 30 40 CKEB c1cc(C23CC4CC(CC(C4)C2)C3)ccc1N=C1CCCC1 33740738 IWVIMVPERAQJKA-UHFFFAOYSA-N 293.454 5.801 30 40 CKEB FC(F)=C(F)/C(F)=C(F)/C(F)=C(\F)C(F)=C(F)F 100424120 LPAZCGTYJJIPQN-ZPUQHVIOSA-N 286.068 5.443 30 40 CKEB CCCCCCCCC(=O)c1ccc(F)cc1C 101473853 GAINTEXQEXHTHI-UHFFFAOYSA-N 250.357 5.067 30 40 CKEB CCCCCCCCCCC#Cc1ccc(Cl)c(F)c1 101735334 JBSRLLMCHPRFRP-UHFFFAOYSA-N 294.841 6.361 30 40 CKEB CCCCc1ccc(/N=C/c2ccc(C)cc2)cc1 2584506 KCHFMTRVJWKQAC-XMHGGMMESA-N 251.373 5.088 30 40 CKEB C(=N\c1ccc(Nc2ccccc2)cc1)\c1ccccc1 100208292 YCUPSYRIOCNWFW-HKWRFOASSA-N 272.351 5.181 30 40 CKEB CCCCCCCCC[C@H]1OC[C@@H](CC)[C@H](CCC)O1 100301426 VCCMLUUBOOTDDC-SQNIBIBYSA-N 284.484 5.695 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@@]1(CC)c1ccccc1 5674049 YJWKAKPZLZMTLQ-LYHOESIGSA-N 279.408 5.325 30 40 CKEB C[C@@H]1CC/C(=C\c2ccccc2)C(=O)/C1=C/c1ccccc1 100250512 CLIGIHASZVYIMB-VQFXSPQOSA-N 288.390 5.153 30 40 CKEB Cc1cc(Cl)ccc1/N=C/c1c(O)ccc2ccccc12 4582476 NFAGAAJKIGOLTI-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1c(O)ccc2ccccc12 100103155 OYTGFKFIGVCBML-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCC[C@H](CC#N)CCCCCC 146628190 QMWMVVLOJOWQJK-QGZVFWFLSA-N 251.458 6.237 30 40 CKEB C=C(C)[C@H]1CCC(C)=C1CC[C@@H](C)OC(=O)c1ccccc1 1670281 CYQNMSYFCZTRNA-SJLPKXTDSA-N 298.426 5.315 30 40 CKEB O=C1/C(=C/c2ccccc2)Sc2ccc3ccccc3c21 292541 TXNSEUBNMGRJLZ-ATVHPVEESA-N 288.371 5.169 30 40 CKEB O=C1/C(=C\c2ccccc2)CCCC/C1=C/c1ccccc1 1631884 CDWCNIVDIALVDN-IKBKFCNISA-N 288.390 5.297 30 40 CKEB CCCCCCCCCCCCCCCCCCNC=O 59197148 JFBFCFNJBMLUHN-UHFFFAOYSA-N 297.527 5.994 30 40 CKEB CCCCCCCCCCCCOCc1ccccc1 79754240 UZQPWASKVYDSRV-UHFFFAOYSA-N 276.464 6.124 30 40 CKEB CCCCCCCC[C@H]1OC[C@H](CC)[C@H](CCC)O1 104359943 IUSAOJXZVJPCML-ULQDDVLXSA-N 270.457 5.305 30 40 CKEB Cc1ccc(/N=N/C(C#N)/N=N/c2ccc(C)cc2)cc1 71255643 LWDHYOVYHZCOHG-FRCMOREXSA-N 277.331 5.021 30 40 CKEB CCCCCCCCCCCCCSCC(=O)O 79566562 VOFBCAFOPONTFX-UHFFFAOYSA-N 274.470 5.115 30 40 CKEB CCCCCCCC[N+](CCCC)(CCCC)CCCC 104180625 VMJGCUPCIRNLPY-UHFFFAOYSA-N 298.579 6.564 30 40 CKEB C=C(C)[C@@H]1C[C@@H](CC)C(C)=C1CC[C@@H](C)OC(=O)C(C)C 4783327 UUFPXEQEJWULTJ-KYJSFNMBSA-N 292.463 5.293 30 40 CKEB CCCCCCCCCCCC(=O)O[C@@H](C)CC 85878713 VQEUONXRKIUTJT-HNNXBMFYSA-N 256.430 5.249 30 40 CKEB CCCCCCCCCCCC(=O)N1CCCCCC1 100302434 MXDYUONTWJFUOK-UHFFFAOYSA-N 281.484 5.310 30 40 CKEB Cc1ccc(Cl)cc1/N=C\c1c(C)n(C)c2ccccc12 408820075 UXNQWVLEOISUSD-JAIQZWGSSA-N 296.801 5.199 30 40 CKEB Cc1sc(/N=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C 7778676 IZLPTDVNUVRRLL-RGVLZGJSSA-N 296.439 5.285 30 40 CKEB CCCCCCCCCCCCCCC/C=C/C(=O)O 59359373 LKOVPWSSZFDYPG-WUKNDPDISA-N 282.468 6.109 30 40 CKEB biogenic,in-vitro CCCCCCCCC(=O)c1cc(F)c(F)c(F)c1 101475348 CVOQVCYCZFGWDA-UHFFFAOYSA-N 272.310 5.037 30 40 CKEB CCCCCCCc1ccc(C(=O)C(C)(C)C)cc1 149045374 HYBIVRVTDBGKMO-UHFFFAOYSA-N 260.421 5.428 30 40 CKEB CCCCN/C(=N\c1ccc(C)cc1)[C@@H](CC)CCCC 18085089 PLWCQZWLISTFEO-KRWDZBQOSA-N 288.479 5.631 30 40 CKEB CCCCCCCCCCC[C@H](N)c1ccc(C)cc1 1695716 MTEATTHFJDCQLP-IBGZPJMESA-N 275.480 5.916 30 40 CKEB Oc1c(C=Nc2ccc(F)c(Cl)c2)ccc2ccccc12 254617372 OOXYMJXESMOHRJ-UHFFFAOYSA-N 299.732 5.089 30 40 CKEB Cc1ccc(Cl)c(/N=C\c2ccc3ccccc3c2O)c1 100248484 SBCUUNCHSSEFHR-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCC(=O)c1cc(Cl)ccc1OC 101471260 UZUJYAVBXXPYLS-UHFFFAOYSA-N 296.838 5.672 30 40 CKEB C=CCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4333414 QELTYWSQTNXJRQ-FMIVXFBMSA-N 294.785 5.046 30 40 CKEB CCCCCCCC(=O)OC[C@@H](CC)CCCC 100048736 HPUAIVNIHNEYPO-HNNXBMFYSA-N 256.430 5.107 30 40 CKEB Cc1ccc(Cl)cc1/N=C\c1c(O)ccc2ccccc12 558912 OYTGFKFIGVCBML-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCCCCCCCCN(C)N=O 97978818 CRWBBWJOAPFABB-UHFFFAOYSA-N 284.488 6.081 30 40 CKEB CCCCCCCCCC/C=C\CCCCCC(=O)OC 103556080 XMONTNNUOWTMGE-SEYXRHQNSA-N 296.495 6.197 30 40 CKEB C=C[C@](C)(O)CC[C@@H]1CCC[C@@H]2C(C)(C)CCC[C@@]12C 216053569 VVUVZVUAPNPEDQ-NBMJBFSESA-N 278.480 5.336 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1cccc(C)c1C 409208489 GHPXLOXRPVUNEP-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C/CO 1610919 YHXQJKUUMBTWSB-VHAPFUMJSA-N 290.491 5.814 30 40 CKEB CCCCCCCCCCCCCC(=O)N(CC)CC 43523806 DNRJXSFQAZGKPT-UHFFFAOYSA-N 283.500 5.556 30 40 CKEB CCCCCCCCCCC[C@H]1CCC[C@@H](C)N1 73391014 AYJGABFBAYKWDX-SJORKVTESA-N 253.474 5.438 30 40 CKEB CCCCCCCc1ccc(C(=O)[C@H](C)CCC)cc1 575357341 DEPYSNLKCXYLBM-MRXNPFEDSA-N 274.448 5.818 30 40 CKEB CCCCCCCCC(=O)OCCCCCCCC(C)C 86047254 GBLPOPTXAXWWPO-UHFFFAOYSA-N 298.511 6.277 30 40 CKEB CCCCCCCC#Cc1ccccc1OC(F)(F)F 101736285 NEADWTPNCOAOSE-UHFFFAOYSA-N 284.321 5.297 30 40 CKEB C/C(=C\C(=O)CC(C)(C)c1ccccc1)c1cccs1 103609274 OXNWDHGRURWTFP-WYMLVPIESA-N 284.424 5.088 30 40 CKEB Cc1c(Cl)cccc1/N=C/c1ccc(Cl)s1 408964659 FCRVAFDAAKYEGJ-VIZOYTHASA-N 270.184 5.114 30 40 CKEB O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1Cl 6340882 NHAAITIQPHTVPR-FPYGCLRLSA-N 295.140 5.029 30 40 CKEB C/C(=C\C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16969712 JCLHZOCYZUYOCS-ZHACJKMWSA-N 291.177 5.280 30 40 CKEB C/C(=N\c1ccc(CSc2ccccc2)cc1)C(C)(C)C 33620792 LRYTUHOJEYPJDG-HMMYKYKNSA-N 297.467 6.117 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccccc1 59248411 BSAMGIMXRLTROO-DEDYPNTBSA-N 294.785 5.190 30 40 CKEB CCCCCCCc1ccc(C(=O)[C@H](C)CC)cc1 575357399 HCZIRQUBKTTXOT-OAHLLOKOSA-N 260.421 5.428 30 40 CKEB CC(/C=N/c1c(C)ccc(C(C)C)c1O)=C\c1ccccc1 17312095 GAFPREISOZXBSX-XLLHXKPXSA-N 293.410 5.630 30 40 CKEB CCCCCCCCCCCCC[C@H](O)CCC 100503241 YPNRSIHGYMWAIQ-QGZVFWFLSA-N 256.474 5.849 30 40 CKEB CCCCCCCC[C@H]1O[C@H]1CCCCC(C)C 2090405 QVIBKECDBFIZNV-SJORKVTESA-N 254.458 5.721 30 40 CKEB biogenic O/N=C1\CCCc2c1cc1ccc3cccc4ccc2c1c34 22057484 GTDIHTYSTGYSPA-DYTRJAOYSA-N 285.346 5.099 30 40 CKEB in-vitro O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(F)cc1 59444467 KCRWALKRBZAXFP-CMDGGOBGSA-N 295.140 5.029 30 40 CKEB CCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 3190710 WRPCPDBDHANZQW-UHFFFAOYSA-N 287.325 5.004 30 40 CKEB CCCCCCCc1ccc(-c2cc(F)cc([N+]#N)c2)nc1 96022422 QRSFAKMKCVSDFO-UHFFFAOYSA-N 298.385 5.885 30 40 CKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](C#N)CC[C@]3(C)[C@H]1CC2 118914859 KLNWLDZOCLFNHL-WDCLZLQXSA-N 285.475 5.559 30 40 CKEB CCCCCCCCCCC[C@H]1O[C@H]1CCCCC(=O)O 8437398 PVMIAUUBHIBDJY-SJORKVTESA-N 298.467 5.320 30 40 CKEB biogenic CCCCCC/C=C/CCCCCCCCC(=O)OC 100173960 JNSUZRHLHDQGPN-CMDGGOBGSA-N 282.468 5.807 30 40 CKEB CCCCCCCCCCC[C@@H](N)c1ccccc1 100688963 DEJJVDGDQBHRBM-GOSISDBHSA-N 261.453 5.607 30 40 CKEB CCc1cc(/C=N/c2ccc3ccccc3c2)c(S)s1 281136 WOKHUUIVXDEORA-WOJGMQOQSA-N 297.448 5.503 30 40 CKEB CCCCCCCCCCCC[n+]1ccc(C)cc1 1673410 LNALLRZKLIWXLH-UHFFFAOYSA-N 262.461 5.203 30 40 CKEB Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 6340923 GWSFKYHBFPURCI-RMKNXTFCSA-N 291.177 5.198 30 40 CKEB N#C[C@@H](C=C(c1ccccc1)c1ccccc1)c1ccccc1 2031852 DRHVBAPIQCHGCM-OAQYLSRUSA-N 295.385 5.426 30 40 CKEB C=C1CCC[C@@]2(C)CC[C@@H](/C(C)=C\C=C\C(C)(C)O)C[C@@H]12 6157471 VGVBCHZWSHUBLW-JBKANRPWSA-N 288.475 5.423 30 40 CKEB CC(C)=CCC/C(C)=C/CC(C)(C)/C=N/Cc1ccco1 2288976 WKGOUNNKZNDGNS-IXKPFFITSA-N 287.447 5.959 30 40 CKEB CCCCCCCC(=O)c1cccc(Cl)c1C 101471369 YTERJUFPTKELGF-UHFFFAOYSA-N 252.785 5.192 30 40 CKEB Cc1c(/C=N\c2ccccc2C(C)C)c2ccccc2n1C 408824506 QPVWNLJEJNVSMN-BKUYFWCQSA-N 290.410 5.361 30 40 CKEB Cc1ccccc1C(=O)/C=C/c1ccc(C(C)C)cc1 71977138 ZQMBGULEKQTVAL-JLHYYAGUSA-N 264.368 5.015 30 40 CKEB CCCCCCCCCCCCNCCCCCC(=O)O 100921889 ZDWODGRRMAVDPA-UHFFFAOYSA-N 299.499 5.142 30 40 CKEB C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)OC(=O)C(C)C 1697422 TXLYSYOKEBFFAC-UMEYKSNOSA-N 292.463 5.603 30 40 CKEB CCCCCCCCN(CCCCCCCC)N=O 43439681 FLYCLWANFMDRKT-UHFFFAOYSA-N 270.461 5.691 30 40 CKEB Cc1cc(N/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1F 51318720 GQIDMZUEHWAFGI-ZHACJKMWSA-N 297.373 5.066 30 40 CKEB CCCCCCCCCCOc1ccc(/C(C)=N/O)cc1 96022793 RPRQEVNYLBYVRS-KNTRCKAVSA-N 291.435 5.404 30 40 CKEB C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 100035796 ALEUVXQGVOQDBD-FNCFJJJESA-N 262.481 6.366 30 40 CKEB CCCCCCCCN1CCO[C@H](CCCCCC)C1 100923459 OHGNSZFVIFRNQZ-GOSISDBHSA-N 283.500 5.018 30 40 CKEB Fc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1 102238043 WDDXKLFYTNKARP-PXLXIMEGSA-N 289.353 5.167 30 40 CKEB Cc1cccc(/N=C\c2ccc(Cl)cc2Cl)c1C 104163202 WEAMMAAGFOYZJA-NVMNQCDNSA-N 278.182 5.361 30 40 CKEB CCCCCCCCCCC#Cc1cc(F)ccc1C 101734015 REIORULHJDECLM-UHFFFAOYSA-N 274.423 6.016 30 40 CKEB C=CCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1C 8368572 PKHIMDVJFRURPM-UDWIEESQSA-N 299.801 5.272 30 40 CKEB CCCCCCCCCCCCCCCCCCOC=O 86050968 NOPZJEGEHWRZSE-UHFFFAOYSA-N 298.511 6.421 30 40 CKEB CCCCCCCCCCCCCCCCN[C@H](C)CC 104363784 SSBQFQCKSWAFNU-HXUWFJFHSA-N 297.571 6.856 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2C)C1 408564298 YFERMXFMPJXHTC-MAUBAPBLSA-N 299.458 5.405 30 40 CKEB C=C(C)C[C@@H]1CC=C[C@@H](CC(=C)C)N1Cc1ccccc1 5480718 PNNDPZUDECWKOK-PMACEKPBSA-N 281.443 5.118 30 40 CKEB CCCCCCCCCC/C(=N\O)c1cccc(C)c1O 100922059 XJXJDCCKFYDFQP-HTXNQAPBSA-N 291.435 5.410 30 40 CKEB CCCCCCCCCCC#Cc1ccc(F)cc1C 101733886 ALNNRYWJKYPMNA-UHFFFAOYSA-N 274.423 6.016 30 40 CKEB CC(C)c1ccc(C(=O)/C=C/Nc2cccc(Cl)c2)cc1 51318674 RJMVGWQGOLEHJZ-ZHACJKMWSA-N 299.801 5.272 30 40 CKEB CCCCCC/C=N/Nc1nc(-c2ccccc2)cs1 102987542 YPWXIIOTCLOFTG-SFQUDFHCSA-N 287.432 5.178 30 40 CKEB CCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330264 SSPGYXSSODCTLG-KHPPLWFESA-N 272.301 5.881 30 40 CKEB CCCCCCCCCCCC[n+]1ccc2ccccc2c1 1673409 ZFCMISKWVFUWHP-UHFFFAOYSA-N 298.494 6.048 30 40 CKEB in-man CCCC/N=C(\Nc1ccc(C)cc1)[C@H](CC)CCCC 2046136 PLWCQZWLISTFEO-QGZVFWFLSA-N 288.479 5.822 30 40 CKEB C(=N/Nc1ccccc1)\c1c2ccccc2cc2ccccc12 6575355 SBVPDJUXXXXMPQ-PXLXIMEGSA-N 296.373 5.439 30 40 CKEB c1ccc([C@@H]2Cc3ccccc3/C2=N\C2CCCCC2)cc1 104136011 AKMYNJLWHQZXQF-VSRNGQBXSA-N 289.422 5.148 30 40 CKEB CCCCCCCCC[C@@H]1OC[C@H](c2ccccc2)O1 1677461 JEBLFZKNRZFOMZ-QZTJIDSGSA-N 276.420 5.241 30 40 CKEB CSc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1 104224936 JBUHGJTZBUMRSR-UNOMPAQXSA-N 293.391 5.018 30 40 CKEB C=CCCCCCCCC[C@H]1O[C@@H](C)CC(C)(C)O1 1589803 BRXNTZKPKAJNFN-HOTGVXAUSA-N 268.441 5.223 30 40 CKEB CCCCCCCCCCCCC[n+]1ccc(C#N)cc1 1723774 DZCPMNCTPHBPFO-UHFFFAOYSA-N 287.471 5.157 30 40 CKEB CCCCCCOc1ccc(-c2ccccc2C#N)cc1 3152918 VOCLLSPPGOQHLT-UHFFFAOYSA-N 279.383 5.184 30 40 CKEB CCCCCCCCCn1c(Cl)nc2ccccc21 3156315 GIJVAXNODRBWON-UHFFFAOYSA-N 278.827 5.440 30 40 CKEB Cc1cccc(/N=C/C=C/C=C/Nc2cccc(C)c2)c1 4124777 ASSQDHLRGIIYQG-KOWKZOTASA-N 276.383 5.188 30 40 CKEB Cc1ccc(-n2cccc2/C=N/c2ccccc2)cc1Cl 409009113 VYOFVNSSUBXVHL-DEDYPNTBSA-N 294.785 5.190 30 40 CKEB Cc1ccc(N/C(S)=N\c2cccc3ccccc23)cc1 13788564 NOVHOGCNESUKMU-UHFFFAOYSA-N 292.407 5.178 30 40 CKEB CCCCCCCC[C@@H]1N[C@H]1CCCCCCCC 104156503 KUFBWADZXJUZBU-ROUUACIJSA-N 267.501 5.828 30 40 CKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccccc2)cc1Cl 409017332 FTVMCLMLYKBXBH-KZKLBEMASA-N 287.790 5.268 30 40 CKEB C=CCCCCCCCC[C@H]1O[C@H](C)CC(C)(C)O1 1589804 BRXNTZKPKAJNFN-CVEARBPZSA-N 268.441 5.223 30 40 CKEB CCCCCCCCCCCCCCCCN(CC)CC 59682039 AVOKRHSASDONRL-UHFFFAOYSA-N 297.571 6.810 30 40 CKEB CCCCCCCCCCCCCC[C@@H](C)CC 100305283 HPDKJRSKBCPMIY-SFHVURJKSA-N 254.502 7.124 30 40 CKEB CCCCCCCCCCCCCCCC1=NCCN1 100306268 KSJKFYTZUCKVFT-UHFFFAOYSA-N 280.500 5.469 30 40 CKEB CCCCCCCCCCCc1cc(O)cc(O)c1 67912359 SXRLJXDYAKBNRZ-UHFFFAOYSA-N 264.409 5.171 30 40 CKEB biogenic,in-vitro CCCCCCCCCCCCNCCc1ccccc1 100688977 KKXPLPXCGLIJCT-UHFFFAOYSA-N 289.507 5.740 30 40 CKEB CCCCCCCCCCCCCCCCN1CCCC1 59663529 MPMBEUMSDRYLPT-UHFFFAOYSA-N 295.555 6.564 30 40 CKEB CCCCCCCC/C=C/CCCCCCCCC(=O)O 96023473 BBOWBNGUEWHNQZ-MDZDMXLPSA-N 296.495 6.499 30 40 CKEB in-vitro CCCCCCCCC(=O)c1cc(C)c(C)cc1C 101475448 ROXRMCNHBQZTJR-UHFFFAOYSA-N 260.421 5.545 30 40 CKEB Cc1ccsc1/C=C/C(=O)c1cc(Cl)ccc1Cl 71976956 LHIPAOUSCMJCCX-SNAWJCMRSA-N 297.206 5.259 30 40 CKEB C=CCCCCCCCCCCC[C@@H](C)CCCC 43061699 NAEZQVWAWSVOSD-IBGZPJMESA-N 266.513 7.290 30 40 CKEB CC(C)=CC(=O)c1sc2ccc(Cl)cc2c1C 575362200 MXRPOXNGNSPGTO-UHFFFAOYSA-N 264.777 5.012 30 40 CKEB CCCCCCCCCCCCC/C=C/C=C/C(=O)O 70455426 ADHNUPOJJCKWRT-JLXBFWJWSA-N 280.452 5.885 30 40 CKEB biogenic,in-vitro Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(Cl)cc1 100357437 XZVDESMFBWJQAP-GRSHGNNSSA-N 287.790 5.228 30 40 CKEB CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C#N)CC2)CC1 299754695 HWMHRQOJZXBQBL-OPMHRUBESA-N 261.453 5.703 30 40 CKEB C=C[C@@](C)(O)C[C@@H](C)CCCCC[C@@H](C)CCCC(C)C 4285757 IOLVAUYSSNEWQQ-HSALFYBXSA-N 296.539 6.363 30 40 CKEB CCc1ccc(C(=O)/C=C/Nc2cccc(C)c2Cl)cc1 409101177 WCRLUGANCKISPK-VAWYXSNFSA-N 299.801 5.019 30 40 CKEB CCCCC/C=C/C=C\C(=O)CCCCCCCC(=O)O 31155585 LUZSWWYKKLTDHU-SQKGQWCESA-N 294.435 5.064 30 40 CKEB Cc1cccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1 33378728 PNGCZRVLMHIATC-HJWRWDBZSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCOC(=O)c1ccc(Cl)cc1 1586586 ASTUITNORCWJGQ-UHFFFAOYSA-N 296.838 5.638 30 40 CKEB C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1 33400147 JOLVYUIAMRUBRK-UTOQUPLUSA-N 298.470 6.354 30 40 CKEB biogenic,in-vitro CCCCCCCCCC(=O)CCCCCCCC(=O)O 60232542 KNYQSFOUGYMRDE-UHFFFAOYSA-N 298.467 5.512 30 40 CKEB endogenous,in-man Cc1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 408807741 FBYOQRJICXZIGE-MOSHPQCFSA-N 294.785 5.190 30 40 CKEB CCCCCCCCCC(=O)c1ccc(CC)cc1 101473449 PDLCRWMIZAMZSP-UHFFFAOYSA-N 260.421 5.572 30 40 CKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)cc(C)c1O 108932481 WVJDCAUSSKCNHM-LSCVHKIXSA-N 294.181 5.066 30 40 CKEB C=CCOC(=O)CCCCCCCCCCCCCCC 44181417 HAFZJTKIBGEQKT-UHFFFAOYSA-N 296.495 6.197 30 40 CKEB CC(C)c1ccc(/C=C2\CCCc3ccccc3C2=O)cc1 984761 ITXGYVCBNAJYFD-XMHGGMMESA-N 290.406 5.413 30 40 CKEB CCCCCCCCCCCC(=O)Nc1nccs1 95722924 RWHXMKAVMHLZJW-UHFFFAOYSA-N 282.453 5.003 30 40 CKEB CCCCCCCCC(=O)OC[C@H](CC)CCCC 100297786 CCFWAONPPYWNDM-MRXNPFEDSA-N 270.457 5.497 30 40 CKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)ccc1O 568671 FTYHQKVJHKIWQN-ZGXHQARYSA-N 287.790 5.310 30 40 CKEB CCCCCCCCCC(=O)c1cc(C)ccc1O 100934555 XWDXIYVQEXHZEF-UHFFFAOYSA-N 262.393 5.024 30 40 CKEB CCCCCCCCCCc1ccc2ccc(C)nc2c1O 100935864 YFNHPTRYISNDKH-UHFFFAOYSA-N 299.458 5.932 30 40 CKEB CCCCCCCCCC(=O)c1ccc(Cl)c(F)c1 101471158 VAMHDCGKKIPVEN-UHFFFAOYSA-N 284.802 5.803 30 40 CKEB COc1ccc(/C=N/c2ccc(C)c(C)c2)c2ccccc12 1227923 UQODUXXEOXQXPY-FYJGNVAPSA-N 289.378 5.216 30 40 CKEB C=Cc1cc[n+](CCCCCCCCCCCC)cc1 1653253 SIZXIYBOSZKNBV-UHFFFAOYSA-N 274.472 5.538 30 40 CKEB CCCCCc1ccc(C(=O)/C=C/c2ccccc2)cc1 4695722 QHXCZIIICPXMHZ-DTQAZKPQSA-N 278.395 5.315 30 40 CKEB CCCCCCCCC[C@H](O)CCCCCCC 100140117 KAYMRANHJDGOQZ-QGZVFWFLSA-N 256.474 5.849 30 40 CKEB CCCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1 100301425 VCCMLUUBOOTDDC-FGTMMUONSA-N 284.484 5.695 30 40 CKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](C#N)CC[C@]3(C)[C@H]1CC2 118914858 KLNWLDZOCLFNHL-PAPWGAKMSA-N 285.475 5.559 30 40 CKEB Fc1cccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c1 409011017 FJXKQZJIPNWKIQ-RGVLZGJSSA-N 299.732 5.490 30 40 CKEB C/C(=N\N=C(/C)c1ccc(C)cc1C)c1ccc(C)cc1C 4299662 DHBHRMINRYIUIH-KSTNYAOJSA-N 292.426 5.153 30 40 CKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(Cl)cc1 16983172 XPHQJOOQZCMEMB-JLHYYAGUSA-N 292.765 5.389 30 40 CKEB CCCCCCCCCC(=O)c1cc(F)cc(Cl)c1 101471051 WUINMKJIFXNZFJ-UHFFFAOYSA-N 284.802 5.803 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)O1 4024322 IGGWKHQYMAJOHK-YKXHTNLXSA-N 290.491 5.743 30 40 CKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C#N)CCC[C@@]21C 12383070 KSODEYYYINEFHT-AQNXPRMDSA-N 281.443 5.344 30 40 CKEB biogenic CCCCCCc1ccc(N=C2SCCS2)cc1 39475201 UCYMEYOKZOKGNJ-UHFFFAOYSA-N 279.474 5.277 30 40 CKEB in-vitro CCCCCCCCCCC[C@H](c1ccccc1)N(C)C 104079924 JOMMTYCHJMELMQ-HXUWFJFHSA-N 289.507 6.210 30 40 CKEB CCCCCCCCCC/C=C(/Cl)c1ccccc1 104967574 ZQXFDGJFNIMTKD-FBMGVBCBSA-N 278.867 6.797 30 40 CKEB CCCCCCCCCC(=O)Nc1c(C)cc(C)cc1C 2736359 ZQUFGQCGPYULOV-UHFFFAOYSA-N 289.463 5.691 30 40 CKEB C=CCCCCCCCCC(=O)N(CC(=C)C)CC(=C)C 4801805 FIWRZXOIUBDDTB-UHFFFAOYSA-N 291.479 5.274 30 40 CKEB CCCCCCCCC(=O)c1ccc(C(C)C)cc1 101474294 BYAOWUSPHZZUAK-UHFFFAOYSA-N 260.421 5.743 30 40 CKEB CCCCCCCC(=O)/C=C/c1ccc(OCC)cc1 2559247 DSXNLFWEQCWBMF-JLHYYAGUSA-N 274.404 5.028 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@@]1(C)c1ccc(C)cc1 5794873 CLWNVKWTZWPTSH-LYHOESIGSA-N 279.408 5.243 30 40 CKEB CC(C)(C)C1CCC(=C2C[C@H](C(C)(C)C)CCC2=O)CC1 4530449 LJSPYFOTXSYUAC-OEMAIJDKSA-N 290.491 5.935 30 40 CKEB CCCCCCCCCCCC[C@H]1CCC[C@H](C)C1 100304137 IBPYRQACWYCFPT-OALUTQOASA-N 266.513 7.124 30 40 CKEB CCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530701 SSPGYXSSODCTLG-ZHACJKMWSA-N 272.301 5.881 30 40 CKEB CCCCCCC[N+](C)(C)CC1=CC[C@H]2C[C@@H]1C2(C)C 2105776 BEURXEUMCUJWMG-ROUUACIJSA-N 278.504 5.026 30 40 CKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@]4(CO4)[C@@]3(C)CC[C@H]12 253505181 ANNNCUHEIXOQTD-VSKDJGRCSA-N 288.475 5.188 30 40 CKEB CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1O 384789 OEPDAGGYXJMJIE-UDWIEESQSA-N 281.399 5.390 30 40 CKEB C=CCn1c2ccccc2c2c(C)c3cnccc3c(C)c21 1754920 AULNNLNGJDKMOM-UHFFFAOYSA-N 286.378 5.146 30 40 CKEB C(=N\c1ccc(/N=C/c2ccccc2)cc1)\c1ccccc1 101481876 JEPNTPUNAKFAOY-KBNZVFGVSA-N 284.362 5.188 30 40 CKEB CCCCCCCCCCCC(=O)OC1CCCC1 100302605 ADSIAMGUWUBMDP-UHFFFAOYSA-N 268.441 5.393 30 40 CKEB CCCCCCCCNCc1cccc2ccccc12 102562120 QNWLVGXRHVKZLD-UHFFFAOYSA-N 269.432 5.290 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 104226122 IRDIDNLCIMBWOM-JUJYPNOZSA-N 290.515 5.026 30 40 CKEB CCCCCCCC(=O)c1ccc(C)c(Cl)c1 101471457 BPPFLQBQEHFGCP-UHFFFAOYSA-N 252.785 5.192 30 40 CKEB C/C=C/C(=O)c1ccc(-c2ccc(CCC)cc2)cc1 575243010 OARVXAFIAWVJNV-GQCTYLIASA-N 264.368 5.065 30 40 CKEB C/C=C\S/C(=N/c1ccccc1)Nc1ccccc1 8655891 YDKYFODTSPCZQY-SILLCRNTSA-N 268.385 5.053 30 40 CKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C\CO 17175359 YHXQJKUUMBTWSB-XLCIZADVSA-N 290.491 5.814 30 40 CKEB Clc1ccc(N=C2c3ccccc3-c3ccccc32)cc1 1602532 GGECLVLMUAJEGK-UHFFFAOYSA-N 289.765 5.490 30 40 CKEB CCCCCCCCCCN1C[C@@H]2CCCC[C@H]2C1 1676246 IUGJCMRSMFVGHE-ROUUACIJSA-N 265.485 5.249 30 40 CKEB N#C[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 4015771 DFXWCQCJIMWRNI-HXUWFJFHSA-N 269.347 5.009 30 40 CKEB CCCCCC1CCC(C2CCC(C#N)CC2)CC1 13894837 HWMHRQOJZXBQBL-UHFFFAOYSA-N 261.453 5.703 30 40 CKEB CC(C)c1ccc(/C=N\N=C/c2ccc(C(C)C)cc2)cc1 16923594 PJIGTEXYLLRIRT-JZTLMNBPSA-N 292.426 5.386 30 40 CKEB Cc1cccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)c1C 51318626 GRIDCLLDEQUMMM-OUKQBFOZSA-N 293.410 5.235 30 40 CKEB CCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1 2061874 GKRRAGNVJJIKES-UHFFFAOYSA-N 289.463 5.074 30 40 CKEB Cc1ccc(NN=C2CCC(C(C)(C)C)CC2)cc1Cl 5445727 IDCROFBWIZIJAG-UHFFFAOYSA-N 292.854 5.653 30 40 CKEB CCCCCCC(/C=C/c1ccc(Cl)cc1)=N\O 17060399 MRPYNAJVTDJIBH-VAOWDNLSSA-N 265.784 5.154 30 40 CKEB C=C(CCC(C)(C)C)c1ccc(C2C=CC=C2)cc1 49952281 WYOVYBBPPZKXLZ-UHFFFAOYSA-N 252.401 5.736 30 40 CKEB CCCCCCC(=O)/C=C/c1ccc(Br)cc1 1576122 KCKQQVVNQHVMKW-FMIVXFBMSA-N 295.220 5.002 30 40 CKEB O=C(C1=CCCCC1)c1ccc(-c2ccccc2)cc1 1754432 GZTSMUORHPMPML-UHFFFAOYSA-N 262.352 5.037 30 40 CKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C)cc3)o2)cc1 100138510 TYFSTPWRUGJCGW-DEDYPNTBSA-N 275.351 5.314 30 40 CKEB CCCCCCCCC/C=C/CCCCCCC(=O)OC 100501231 KXOOHHMDCDXCBV-VAWYXSNFSA-N 296.495 6.197 30 40 CKEB CC#CC[N+](C)(C)CCCCCCCCCCCC 1902257 DSNTZUKCUNCBJS-UHFFFAOYSA-N 266.493 5.007 30 40 CKEB Cc1ccc(C(C)C)cc1/N=C(\S)Nc1ccccc1 5553466 SRRDJGDQUMWGLW-UHFFFAOYSA-N 284.428 5.148 30 40 CKEB Cc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1C 409215325 XPOSKYJNVICYIF-QGMBQPNBSA-N 294.181 5.066 30 40 CKEB CCCCCCCC[C@@H]1OC[C@H](CC)[C@H](CCC)O1 104359940 IUSAOJXZVJPCML-YESZJQIVSA-N 270.457 5.305 30 40 CKEB Cc1cc(C)c(-n2cccc2/C=N/C2CCCCC2)c(C)c1 103616877 FSKCWUZYDHECLJ-KGENOOAVSA-N 294.442 5.154 30 40 CKEB N#CC1(Nc2ccc(-c3ccc(Cl)cc3)cc2)CCCC1 1686522 ZVBBIQZVFLRLPF-UHFFFAOYSA-N 296.801 5.255 30 40 CKEB CC(C)(C)c1ccc(/C=N\c2ccc(Cl)cc2)cc1 58883378 DLCXBNYZLSRJAP-UNOMPAQXSA-N 271.791 5.388 30 40 CKEB N#Cc1ccc(CSc2ccc3ccccc3c2)cc1 5776128 ITFSKNWTPGAUMQ-UHFFFAOYSA-N 275.376 5.004 30 40 CKEB CCCCCCCCCCCC[n+]1cccc(C)c1 1719228 QYWZXJYOLIKFEK-UHFFFAOYSA-N 262.461 5.203 30 40 CKEB C=CCC1(CC=C)CCCCCCCCCCCN1 4094110 NWIASTZNEMQLCN-UHFFFAOYSA-N 263.469 5.382 30 40 CKEB Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 6840538 FCSXXURFXCTBKH-NTEUORMPSA-N 278.395 5.189 30 40 CKEB CCCCCCCCCCCCCCCCCCCCN 43335407 BUHXFUSLEBPCEB-UHFFFAOYSA-N 297.571 6.987 30 40 CKEB CCCCCCCCCCN(C)CCCCCCCC 100057467 CQFRPHDWUIZNOK-UHFFFAOYSA-N 283.544 6.419 30 40 CKEB CCCCCCCCC(=O)c1ccc(Cl)c(F)c1 101471154 UWQKPGFWZDCAIA-UHFFFAOYSA-N 270.775 5.412 30 40 CKEB CCCCCCCCc1cc2cscc2s1 1776010867 FDEVBASEWHSXPT-UHFFFAOYSA-N 252.448 5.866 30 40 CKEB CC1=C(/C=C/C(C)=N\Nc2ccccc2)C(C)(C)CCC1 5002674 VBBUVGGZGQYUDC-OLVUBZDSSA-N 282.431 5.557 30 40 CKEB CCCCCCCc1ccc(C(=O)[C@@H](C)CCC)cc1 575357338 DEPYSNLKCXYLBM-INIZCTEOSA-N 274.448 5.818 30 40 CKEB CCc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 571450 SEGHNQPFLMMTRH-VCHYOVAHSA-N 278.182 5.306 30 40 CKEB Clc1ccccc1/C=N/c1cccc2ccccc12 17039958 PXXFNKDJMZPGMA-XDHOZWIPSA-N 265.743 5.244 30 40 CKEB CCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1 104359948 IUSAOJXZVJPCML-IXDOHACOSA-N 270.457 5.305 30 40 CKEB CCCCCCCCCCC[C@H]1CCC[C@H](C)N1 1659750 AYJGABFBAYKWDX-IRXDYDNUSA-N 253.474 5.438 30 40 CKEB biogenic CCCCCCCCCCCCCCCC[C@H](C)O 42851299 OXGBCSQEKCRCHN-SFHVURJKSA-N 270.501 6.239 30 40 CKEB CCCCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1OC(C)=O 104332533 ZBXJYKOJDHTIKR-UAGQMJEPSA-N 268.441 5.105 30 40 CKEB CCCCCCCCCCC[C@@H]1OCC[C@H](C)O1 104370730 MXKDOMWUEBTZDD-JKSUJKDBSA-N 256.430 5.059 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1CCC[C@@H]2C(C)(C)CCC[C@@]12C 5499666 VVUVZVUAPNPEDQ-RWQQGDIJSA-N 278.480 5.336 30 40 CKEB C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccccc1 18067533 MZLBNAQKLUROAC-STZFKDTASA-N 269.347 5.008 30 40 CKEB C=CCCCCCCCC[C@H]1OC[C@@H](CC)[C@@H](CCC)O1 4430190 BILILUPVWQSZDG-QRVBRYPASA-N 296.495 5.861 30 40 CKEB C(=N\C12CC3CC(CC(C3)C1)C2)\C12CC3CC(CC(C3)C1)C2 104211530 NNHPCFIHRCJBMO-XKZIYDEJSA-N 297.486 5.242 30 40 CKEB S[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 346313 MJUJSBOMJPKAQG-GFCCVEGCSA-N 278.829 5.018 30 40 CKEB C#C[C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 3881367 MULUCORRSAVKOA-SLFFLAALSA-N 294.523 5.810 30 40 CKEB C=C1C[C@@H](C[C@@H](C)CCC=C(C)C)O[C@@H]2C[C@H](C)CC[C@@H]12 4026933 NNOLCPLJEUHKPQ-GRLGQGAKSA-N 290.491 5.909 30 40 CKEB CCCCCCCCCCC[C@H](C)NCc1ccccc1 100688974 JUARPGXKJLXOCX-IBGZPJMESA-N 289.507 6.086 30 40 CKEB S[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 346315 MJUJSBOMJPKAQG-LBPRGKRZSA-N 278.829 5.018 30 40 CKEB CCCCCCCCCCCC(=O)Nc1cccc(N)c1 97941777 ULSBMDYJLAMEHI-UHFFFAOYSA-N 290.451 5.128 30 40 CKEB CCCCCCCCCCC(=O)Nc1cccc(C)c1C 2088210 ZCVUCGBYTGTIMM-UHFFFAOYSA-N 289.463 5.773 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(C)c2C)C1 408563107 IQGRAUUWNQDGQA-HJUDDPQBSA-N 299.458 5.405 30 40 CKEB CCCCC/C=C/C/C=C/CCCCCCCC=O 13548600 HXLZULGRVFOIDK-AVQMFFATSA-N 264.453 5.999 30 40 CKEB CCCCCCCCCCCCCCCC[C@H](C)CC 100306589 NYRRMADCQLTNBX-HXUWFJFHSA-N 282.556 7.904 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(C)cc2)C1 408562870 GAGCZRFYBLZXIB-MDJJKAFGSA-N 285.431 5.096 30 40 CKEB CCCCCCCCCCCc1nc2ccccc2o1 2288886 XZQCTGIHXYGGJV-UHFFFAOYSA-N 273.420 5.901 30 40 CKEB CCCCCCCC/C=C\CC/C=C\CCCC(=O)O 100166303 DFJAXEWDHVOILU-KWUOUXIESA-N 280.452 5.885 30 40 CKEB CCCCCCCC[C@@H]1C[C@H]1CCCCCCCC(=O)O 42765019 PDXZQLDUVAKMBQ-QZTJIDSGSA-N 296.495 6.188 30 40 CKEB biogenic,in-vitro CCCCCCC[C@H]1O[C@@H]1CCCCCCCCC(=O)O 100297335 HPQKQYUHTBMKOE-IAGOWNOFSA-N 298.467 5.320 30 40 CKEB C=CCOC(=O)CCCCCCCCCCCCC 101712964 FFXFQWSEFSLIKK-UHFFFAOYSA-N 268.441 5.417 30 40 CKEB CCCCCCCCCCC(F)(F)C(F)(F)F 103525756 UTWRYXARSNGLBY-UHFFFAOYSA-N 260.290 5.715 30 40 CKEB CC(C)c1ccccc1[S@+]1OC(C)(C)c2ccccc21 17120268 FYMUKKQWUXJPOF-FQEVSTJZSA-N 285.432 5.027 30 40 CKEB CCCCCCCC[C@H]1O[C@H]1CCCCCCCCO 100300009 FAEAERQPRQJZOC-MSOLQXFVSA-N 284.484 5.227 30 40 CKEB CCCCCCCCCCCCCCC[C@@H](C)CC 100306145 PGZRTPKNSFMAOP-IBGZPJMESA-N 268.529 7.514 30 40 CKEB Cc1ccsc1/C=N/c1ccc(Nc2ccccc2)cc1 243766 MGGJLFOEKMSGDQ-CPNJWEJPSA-N 292.407 5.551 30 40 CKEB CC(C)=CCC/C(C)=C/CC(C)(C)/C=N\c1ccccc1 100079715 PTEIAQNPTFTMBR-RSROGPGRSA-N 283.459 6.498 30 40 CKEB CCCCCCCSc1cccc(Br)c1 100799859 RPMIRAQECABOJQ-UHFFFAOYSA-N 287.266 5.512 30 40 CKEB COc1ccc(C=Nc2ccc(-c3ccccc3)cc2)cc1 256622984 VYKQBJJHYKJSGA-UHFFFAOYSA-N 287.362 5.113 30 40 CKEB CCCCCCCc1ccc(NC(=O)c2ccco2)cc1 59662057 XGXHFFBCNKXZNF-UHFFFAOYSA-N 285.387 5.045 30 40 CKEB CCCCCCCCCCCC(=O)CCCCCC 100069535 HHQOJAVJSCPMAC-UHFFFAOYSA-N 268.485 6.447 30 40 CKEB CCCCCCCCCCCCC(=O)CCCCC(=O)O 17596234 QZLYZQUYIQGGOQ-UHFFFAOYSA-N 298.467 5.512 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)s1 71976929 ZFQQHGBUYYXGCO-FNORWQNLSA-N 297.206 5.259 30 40 CKEB CCCCCCCCCCCc1noc2ccc(C)cc12 100933922 UNAFBPOYCGTUND-UHFFFAOYSA-N 287.447 6.210 30 40 CKEB CCCCc1ccc(/N=C/c2ccc(Cl)s2)cc1 408963962 AVKVEUUXACQRIU-GZTJUZNOSA-N 277.820 5.495 30 40 CKEB Cc1ccc(Cl)c(/N=C/c2ccc3ccccc3c2O)c1 32101628 SBCUUNCHSSEFHR-RGVLZGJSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCC(=O)c1ccccc1OC 101474496 BUFCEGUKQNNHKR-UHFFFAOYSA-N 262.393 5.019 30 40 CKEB CCCCCCCC[C@H]1C[C@H](C)CC[C@@H]1OC(C)=O 104332528 ZBXJYKOJDHTIKR-PVAVHDDUSA-N 268.441 5.105 30 40 CKEB CCCCCCCCCCCCCCCCCC[N+](=O)[O-] 113945218 GSYMYSYDHKNXFU-UHFFFAOYSA-N 299.499 6.525 30 40 CKEB Cc1ccsc1/C=N/c1ccc(C(C)(C)C)cc1 3237374 TWASPWDGOVVNRJ-GZTJUZNOSA-N 257.402 5.105 30 40 CKEB Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 5810726 FEQZVLOKLSXWSE-RMKNXTFCSA-N 291.177 5.198 30 40 CKEB CCCCCCCCCCOC(=O)[C@H](CC)CCCC 103824605 NPTQTLMUAAVGNU-QGZVFWFLSA-N 284.484 5.887 30 40 CKEB CCCCCCC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1727171 NDUOAXFSJRXWNF-VQHVLOKHSA-N 285.214 5.546 30 40 CKEB CCCCCCCc1ccc(-c2ccccc2)cc1 2169178 KZIZPXDIBXXKAJ-UHFFFAOYSA-N 252.401 5.867 30 40 CKEB CC(C)(C)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1 408718042 FBMRAJBMICTRHU-SFQUDFHCSA-N 294.419 5.314 30 40 CKEB Clc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 408960292 KUJQAGAULKAYNH-ZHZULCJRSA-N 298.817 5.081 30 40 CKEB CCCCCCCCCCCCCC1=NC(C)(C)CN1 1612695 XCWDCYQLWFOSTN-UHFFFAOYSA-N 280.500 5.468 30 40 CKEB Cc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1 5218570 ZFQRERAKPYKCFN-SOFGYWHQSA-N 291.177 5.198 30 40 CKEB CCCC[C@@H](/C=N\N=C/[C@H](CC)CCCC)CC 17020034 FHVPAZLVJZJLPQ-ZKAOUPLJSA-N 252.446 5.476 30 40 CKEB CCC(/C=C\c1ccccc1)=N\Nc1ccc(Cl)cc1 31772542 GRABOUDUOZGJLO-SZXXTAFNSA-N 284.790 5.231 30 40 CKEB C=CCCCCCCCCCCCCCCC=C 98174974 GUYLTGCUWGGXHD-UHFFFAOYSA-N 250.470 6.820 30 40 CKEB CCCCCCCCCCC#Cc1ccc(Cl)c(C)c1 101733071 UQTSGZFXNSZXJB-UHFFFAOYSA-N 290.878 6.531 30 40 CKEB CCCCCCCCCCC/C=C\[C@H](C#N)C(=O)OCC 104151689 QBQQULATZUOYSB-NHRMXYMRSA-N 293.451 5.166 30 40 CKEB CCCCCCCCCCCCC/C=C/C(=O)OCC 77293286 WKKVQOAYYIWUKZ-WUKNDPDISA-N 282.468 5.807 30 40 CKEB in-vitro CCCCCCCC[C@@H]1C[C@H](C)CC[C@@H]1OC(C)=O 104332525 ZBXJYKOJDHTIKR-OIISXLGYSA-N 268.441 5.105 30 40 CKEB CCCCCCCCCC(=O)Oc1ccc2ccccc2c1 2169481 FEHWSTSDTJHODB-UHFFFAOYSA-N 298.426 5.886 30 40 CKEB CCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)O 5820086 JHXAZBBVQSRKJR-KDFHGORWSA-N 294.435 5.064 30 40 CKEB biogenic,in-vitro C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C/C(=N/O)CC[C@]3(C)[C@H]1CC2 26295995 JUOKOKWZZXYKBQ-ZJQBXXRCSA-N 289.463 5.249 30 40 CKEB CCCCCCCc1ccc(-c2ccc(C#N)nc2)cc1 97949450 POIMUDJMPGIQTI-UHFFFAOYSA-N 278.399 5.133 30 40 CKEB CCCCCCCCCCCCCCCCCS 100309748 FXOGYMXDUYOYKR-UHFFFAOYSA-N 272.542 6.788 30 40 CKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccccc2C)C1 408562786 CFGYPBAKTPAIRC-QJPKHSJYSA-N 285.431 5.096 30 40 CKEB C#CC1(O[C@@H](C)n2cccc2-c2ccccc2)CCCCC1 1083942 ULEMQPSDMBOQNC-KRWDZBQOSA-N 293.410 5.026 30 40 CKEB C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)OC(=O)C(C)C 1697420 TXLYSYOKEBFFAC-XEYRCQSKSA-N 292.463 5.603 30 40 CKEB Cc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Cl 2744623 AVJGYINHBXOJPQ-AWQFTUOYSA-N 297.707 5.418 30 40 CKEB C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCC)cc1O 5844421 REOZWEGFPHTFEI-HOTGVXAUSA-N 286.415 5.066 30 40 CKEB biogenic O=C(/C=C/c1ccc2ccccc2c1)c1ccc(F)cc1F 7712590 PYVHXQRLQNSJGC-UXBLZVDNSA-N 294.300 5.014 30 40 CKEB Cc1ccc(Cl)cc1/N=C\c1ccc2ccccc2c1O 100248476 XPRDZGRLCKHXQD-JAIQZWGSSA-N 295.769 5.258 30 40 CKEB CCCCCCCCCCCCN1CCC[C@@H](C)C1 104191075 UZWJYXOTRCVFQE-GOSISDBHSA-N 267.501 5.639 30 40 CKEB CCCCCCCCCCC/C=C\CCCCC(=O)OC 86020533 QRTVDKVXAFJVRU-YPKPFQOOSA-N 296.495 6.197 30 40 CKEB CCCCCCCCCCCCCCCCCC[C@@H]1CO1 100011514 BHZBVWCLMYQFQX-HXUWFJFHSA-N 296.539 7.037 30 40 CKEB in-vitro CCCCCCc1ccc(C#Cc2ccc(C)cc2)cc1 80052562 XYAMCKXIFIIWHA-UHFFFAOYSA-N 276.423 5.518 30 40 CKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO 100300016 FAEAERQPRQJZOC-ZWKOTPCHSA-N 284.484 5.227 30 40 CKEB CCCCCCCCCCCCCCCC[C@@H](C)CC 100306587 NYRRMADCQLTNBX-FQEVSTJZSA-N 282.556 7.904 30 40 CKEB CCCCCCCCN1CCO[C@@H](CCCCCC)C1 100923460 OHGNSZFVIFRNQZ-SFHVURJKSA-N 283.500 5.018 30 40 CKEB CCCCCCCCCC[N+]1(C)C[C@@H]2CC=CC[C@H]2C1 1677265 QNUCBGSNQVEKFM-OALUTQOASA-N 278.504 5.170 30 40 CKEB CC[C@H](/C=N/C(C)(C)C)[P+](C)(C(C)C)C(C)C 20840918 XAGVEKQZPZUCHZ-DSQDWWTGSA-N 258.410 5.099 30 40 CKEB CCCCCCCCC(=O)c1ccc(C)c(F)c1 101473642 AOWXFTJCQKGIPQ-UHFFFAOYSA-N 250.357 5.067 30 40 CKEB CCCCCCCc1ccc2cc(C(=O)O)ccc2c1 2539169 OURHICMQMQBYDD-UHFFFAOYSA-N 270.372 5.051 30 40 CKEB CCCCCCCCCC1OCC(CC)(CCCC)CO1 100301433 IFFVVKIDRYJZCI-UHFFFAOYSA-N 298.511 6.087 30 40 CKEB CC(C)/C=N/Nc1nc(-c2ccc3ccccc3c2)cs1 5726876 XNQOXMYWYSAAFV-VCHYOVAHSA-N 295.411 5.017 30 40 CKEB CC(C)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 71977009 HUHITTYBVQKOQC-DHZHZOJOSA-N 284.786 5.360 30 40 CKEB CCCCCCCCCCC[C@H](NN)c1ccccc1 199538051 CDWLIOANOQQPPA-SFHVURJKSA-N 276.468 5.112 30 40 CKEB CCCC[C@@H](/C=N/N=C\[C@H](CC)CCCC)CC 17020038 FHVPAZLVJZJLPQ-FSHDWCMBSA-N 252.446 5.476 30 40 CKEB CCCCCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 100003359 NSGMZTNTQKRAFA-IZAXUBKRSA-N 283.459 6.193 30 40 CKEB Cc1ccc(C)c(N/C=C/C(=O)c2ccc(C(C)C)cc2)c1 51318628 ABGOMDNRQAHQPB-VAWYXSNFSA-N 293.410 5.235 30 40 CKEB CCCCCCC[C@@H](CCCCC)C(=O)OCC 100295506 QPMKKOWLFUFCBR-OAHLLOKOSA-N 256.430 5.107 30 40 CKEB CCCCCCCCCCCn1cnc2ccccc21 2273607 MRKBZEDAJJZMQN-UHFFFAOYSA-N 272.436 5.567 30 40 CKEB C#Cc1cccc(NC(=O)CCCCCCCCCCC)c1 3020405 DILWWPXINHFUTC-UHFFFAOYSA-N 299.458 5.527 30 40 CKEB biogenic CC(C)(C)c1ccccc1N/C(S)=N/C1CCCCC1 13684938 YGRYFCZQGYTLSY-UHFFFAOYSA-N 290.476 5.015 30 40 CKEB CCCCCCCCC(=O)c1ccc(Cl)cc1 101471957 FQNUAFXUEYTRIX-UHFFFAOYSA-N 252.785 5.273 30 40 CKEB CCCCCCCCCCCCC(=O)CCCC(=O)O 103600015 VZTODHONFCJYRL-UHFFFAOYSA-N 284.440 5.121 30 40 CKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(C)cc1C 409104948 LMJOIBBLKHJXEF-ODLFYWEKSA-N 287.790 5.106 30 40 CKEB CCCCCCCCCCCC(=O)OC1CCCCC1 100302608 PJPLDEHITPGDLR-UHFFFAOYSA-N 282.468 5.783 30 40 CKEB Cc1ccc(/N=C/c2cccc3ccccc23)c(C)c1 1233755 GKMNOLULUAELKP-DEDYPNTBSA-N 259.352 5.207 30 40 CKEB C[C@@H]1CCCC/C1=N/N=C(c1ccccc1)c1ccccc1 33714927 ABFJPUPROSZMLA-BSBNDGSWSA-N 290.410 5.090 30 40 CKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)cc(C)c1O 108235405 KADGLZCUQFYTLH-NDENLUEZSA-N 281.399 5.057 30 40 CKEB C=CCCCCCCCCCC(OCC)OCC 43503383 FIRKFKSUPMAZEI-UHFFFAOYSA-N 256.430 5.082 30 40 CKEB Cc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2C)cc1C 44844197 FJJBTBCBWVOBSH-CMDGGOBGSA-N 299.801 5.074 30 40 CKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Cl)s1 408968497 ZRYBSZFEFMNIGZ-VIZOYTHASA-N 270.184 5.114 30 40 CKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 103750503 OYUISRBWMZNXAU-KGENOOAVSA-N 288.394 5.153 30 40 CKEB Cc1ccc(/N=C/c2c(O)cc(C)c(Cl)c2C)c(C)c1 61767 UEQMFNHQQWBUIF-DJKKODMXSA-N 287.790 5.030 30 40 CKEB CCCCCCCc1c(C)c(O)cc2c1[nH]c1ccccc12 2572823 ADLBIVFEKWBVKQ-UHFFFAOYSA-N 295.426 5.848 30 40 CKEB biogenic,in-vitro C=C(C)C[C@H]1C=CC[C@H](CC(=C)C)N1Cc1ccccc1 5480723 PNNDPZUDECWKOK-WOJBJXKFSA-N 281.443 5.118 30 40 CKEB CCCCCCCCCCCCCCCCC(=O)C(=O)O 8216472 JUCAMRNDACLKGY-UHFFFAOYSA-N 298.467 5.512 30 40 CKEB biogenic,in-vitro CCCCCCCn1c(-c2ccccc2)nc2ccccc21 50861317 GTFCAQTZXMSWKR-UHFFFAOYSA-N 292.426 5.674 30 40 CKEB CCCCCCCCCCCCCCCC(F)(F)F 59267883 CCHSBYTWTBIDLD-UHFFFAOYSA-N 280.418 7.030 30 40 CKEB C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccccc1 517103 BPFKQENQKSWMSP-KGENOOAVSA-N 298.345 5.245 30 40 CKEB CCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 4281073 JXNHYGJCFLBKHN-LTGZKZEYSA-N 295.426 5.569 30 40 CKEB Cc1ccc(/C=C2\CC/C(=C\c3ccc(C)cc3)C2=O)cc1 4538536 IXIITVGWLWCRQL-IWGRKNQJSA-N 288.390 5.133 30 40 CKEB biogenic CCCCCCCCCCC#Cc1ccc(Cl)cc1 101733257 MGVJMOCGAFNEOH-UHFFFAOYSA-N 276.851 6.222 30 40 CKEB COc1ccccc1/N=C/c1ccc(-c2cccs2)s1 497149 DBNHIPZPEKFNHR-GZTJUZNOSA-N 299.420 5.236 30 40 CKEB CCCCCCCCCCCC(=O)c1ccnc(Cl)c1 100297140 AXPVSACEJSDVCY-UHFFFAOYSA-N 295.854 5.839 30 40 CKEB CCCCCCCC/C=C\CC/C=C\CCCC(=O)OC 100501226 MTWLYBBQNPBFRK-JPTBNZNUSA-N 294.479 5.973 30 40 CKEB C(=N\c1ccc2ccccc2c1)\c1c[nH]c2ccccc12 103697248 NWSYHRUZTJAYED-NDENLUEZSA-N 270.335 5.072 30 40 CKEB Cc1c(Cl)cccc1/N=C\c1c(C)n(C)c2ccccc12 408856649 QSLFRWWUADVOHM-JAIQZWGSSA-N 296.801 5.199 30 40 CKEB CC(C)c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 6377331 SGSVSVUWKFRTGN-FMIVXFBMSA-N 284.786 5.360 30 40 CKEB C=CC1CCC(C2CCC(CCCCC)CC2)CC1 55168479 ALEUVXQGVOQDBD-UHFFFAOYSA-N 262.481 6.366 30 40 CKEB CCCCCCCCCCCCCCCCC[N+](C)(C)C 59691921 KENBDIBVUKXMTB-UHFFFAOYSA-N 298.579 6.564 30 40 CKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 32128304 QIIFBAKKQYFNPY-AWNIVKPZSA-N 282.358 5.019 30 40 CKEB CCCCCCCCCC(=O)Nc1ccccc1OCC 2061855 NYJIMHCDAOVRAY-UHFFFAOYSA-N 291.435 5.165 30 40 CKEB CCCCCCCCCC[N+](C)(C)CCCCCCCC 60195421 JVCWUSHFUPUBHQ-UHFFFAOYSA-N 298.579 6.564 30 40 CKEB world CCCCCCCCCCCC(=O)Oc1ccc(C)cc1 86051951 GRSHNQARIXQRDQ-UHFFFAOYSA-N 290.447 5.821 30 40 CKEB endogenous,in-man C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1ccccc1 100006969 VRVLFCXOZDZYCV-FLVZMUOLSA-N 285.350 5.853 30 40 CKEB C=C[C@]1(C)CC[C@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]32C)O1 100741213 IGGWKHQYMAJOHK-ZJXIFLPPSA-N 290.491 5.743 30 40 CKEB C=C1C[C@H](C[C@H](C)CCC=C(C)C)O[C@H]2C[C@H](C)CC[C@H]12 101138290 NNOLCPLJEUHKPQ-AFKBCAQJSA-N 290.491 5.909 30 40 CKEB CCn1c2ccccc2c2cc(/C=N/c3ccccc3)ccc21 1051126 LLTLKCGHMKZLBU-PXLXIMEGSA-N 298.389 5.565 30 40 CKEB CCCCCCCCCC[P@](=O)(O)CCCC 627276227 KNOHCYJESUUNML-UHFFFAOYSA-N 262.374 5.198 30 40 CKEB CCC[C@@H](C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C 104355313 MICHKAJGIMUFNA-BXWLNTHASA-N 287.234 5.021 30 40 CKEB CCc1ccccc1N/C=C1\C[C@@H](C(C)(C)CC)CCC1=O 408562818 DMUISTVRNWYTOE-ZQHZRZASSA-N 299.458 5.350 30 40 CKEB O=C(/C=C\N(c1ccccc1)c1ccccc1)c1ccccc1 31768678 REVZDQYGWSDUJK-MSUUIHNZSA-N 299.373 5.221 30 40 CKEB CCCCCCCCCC(=O)c1cc(OC)ccc1OC 95811620 WLCQFJVNKAFPHT-UHFFFAOYSA-N 292.419 5.027 30 40 CKEB CCCCCCCC[C@@H]1CN(CCCCCC)CCO1 100923431 OGGSQMOBLXGIRQ-GOSISDBHSA-N 283.500 5.018 30 40 CKEB Cc1ccc(/N=C/c2c(Cl)cccc2Cl)c(C)c1 60204 SCZDSVFAQWUUOC-GIJQJNRQSA-N 278.182 5.361 30 40 CKEB [N-]=[N+]=Nc1ccc(/C=C/C(=O)c2ccc(N=[N+]=[N-])cc2)cc1 34109771 FSAONUPVUVBQHL-XCVCLJGOSA-N 290.286 5.466 30 40 CKEB OC1=C/C(=N\c2cccc(Cl)c2)C[C@@H](c2ccco2)C1 104158218 HKUNVRREJFOCJN-GMVXBXSFSA-N 287.746 5.025 30 40 CKEB Cc1[nH]c2c(ccc3ccccc32)c1[C@@H]1[C@@H](CC#N)C1(C)C 1410317 GDRMTPNBMRUNFO-AEFFLSMTSA-N 288.394 5.283 30 40 CKEB CCCCCCC(/C=C\c1ccc(Cl)cc1)=N/O 104187839 MRPYNAJVTDJIBH-GRKONUDFSA-N 265.784 5.154 30 40 CKEB C[C@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 104202225 YKSJJIVIUQUODD-SADKCHQCSA-N 298.389 5.148 30 40 CKEB C=CCCCCCCCCC(=O)Nc1ccc(F)cc1 3124496 NEKGWVWGBBVQKC-UHFFFAOYSA-N 277.383 5.071 30 40 CKEB C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1 55161246 BCUMFFLWJNKNOU-UHFFFAOYSA-N 282.471 6.261 30 40 CKEB CCCCCCCCCCCCCCC/C=C\C(=O)O 62238191 LKOVPWSSZFDYPG-MSUUIHNZSA-N 282.468 6.109 30 40 CKEB in-vitro C=CCOc1ccc(Cl)cc1/C=N/c1cccc(C)c1C 409202466 QXAYNTHYXXJILP-UDWIEESQSA-N 299.801 5.272 30 40 CKEB O=C(C1=C/C(=C\c2ccccc2)CCC1)c1ccccc1 1728150 NUYRKUMHHRMJHE-VKAVYKQESA-N 274.363 5.063 30 40 CKEB CC(C)(C)/C(=N\Sc1ccccc1)c1ccccc1 84139955 DWELTNXWDABCLJ-VLGSPTGOSA-N 269.413 5.229 30 40 CKEB CCCCCCCCCCCCCCN1CCOCC1 100076596 JMJDXDJTXDRLAL-UHFFFAOYSA-N 283.500 5.020 30 40 CKEB CCCC/C=C\CCCCCCCCCCCC=O 33840740 QIRGIHPYVVKWTO-WAYWQWQTSA-N 266.469 6.223 30 40 CKEB biogenic,in-vitro CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C#N 3898588 KSODEYYYINEFHT-HSALFYBXSA-N 281.443 5.344 30 40 CKEB biogenic C=C(F)CCCCCCCCCCCCC(=O)O 39152661 CZYVBNPOCWAXAF-UHFFFAOYSA-N 258.377 5.235 30 40 CKEB CCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530788 VORGIJZXOLFPLO-VAWYXSNFSA-N 286.328 6.271 30 40 CKEB CCCCCCCCc1cc(Cl)c(O)c(CN(C)C)c1 1592039 KIOFRKLFSYNVHA-UHFFFAOYSA-N 297.870 5.010 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC[C@H](C)O[C@H]1c1ccccc1 4024930 USDNJLFMSOKPKT-IHPCNDPISA-N 284.443 5.845 30 40 CKEB biogenic C=C[C@@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 4025645 KEVYVLWNCKMXJX-HSALFYBXSA-N 296.539 6.363 30 40 CKEB Cc1ccc([C@@H](C)CCC(=O)/C=C/c2ccccc2)cc1 5546209 CEMDYGVWFNPYCB-JMPLCFMRSA-N 278.395 5.161 30 40 CKEB Cc1c(/C=N/c2ccc3ccccc3c2)c2ccccc2n1C 59678328 XOCCCDZXPDLJRJ-HYARGMPZSA-N 298.389 5.391 30 40 CKEB CCCCCC/C=C\C#CCCCCCCCC(=O)O 85545067 VENIIVIRETXKSV-FPLPWBNLSA-N 278.436 5.332 30 40 CKEB C=CCCC(=O)c1c2ccccc2cc2ccccc12 575356861 HIXALPWMSDYODJ-UHFFFAOYSA-N 260.336 5.142 30 40 CKEB CCCCCCCC#Cc1cc(Cl)ccc1OC 101732872 GSCQKXBOBXIPJD-UHFFFAOYSA-N 264.796 5.061 30 40 CKEB Clc1ccc(/C=N\c2ccc3ccccc3c2)s1 408966880 OQRFLZZVYBUHAQ-YVLHZVERSA-N 271.772 5.305 30 40 CKEB CCCCCCC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1575871 DTMDOKFRPVCRGV-BQYQJAHWSA-N 285.214 5.546 30 40 CKEB O=C(C=C(c1ccccc1)c1ccccc1)c1ccccc1 4416650 PTKAYCBILQSQRK-UHFFFAOYSA-N 284.358 5.001 30 40 CKEB in-vitro CCCCCCCCCCCCCCCCC(N)=O 85831811 REEPJBYQLCWOAR-UHFFFAOYSA-N 269.473 5.343 30 40 CKEB CCCCCCCCCCCCNC(=O)c1ccccc1 95852170 PZYZDSMNHHDRHM-UHFFFAOYSA-N 289.463 5.337 30 40 CKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(C)c2)C1 408563630 QNHJAUPGRGWYAS-MDJJKAFGSA-N 285.431 5.096 30 40 CKEB Cc1ccc(C)c(/N=C\c2ccc(N3CCCCC3)cc2)c1 408959576 BHHLTMZRHHRCBA-QNGOZBTKSA-N 292.426 5.044 30 40 CKEB CCc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409010033 JGMKXJIELJBKJY-FYJGNVAPSA-N 293.341 5.399 30 40 CKEB CCCCCCCCCCCCCCN1CCCCC1 59663534 NNJUGUVAQFZIQM-UHFFFAOYSA-N 281.528 6.173 30 40 CKEB C(=N/c1ccc(/N=C/c2cccs2)cc1)\c1cccs1 100040040 CVNPKIOJKWDPBA-JYFOCSDGSA-N 296.420 5.311 30 40 CKEB C=CC(=C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 4369782 JTWQQJDENGGSBJ-IZBJGVDFSA-N 290.491 5.502 30 40 CKEB biogenic,in-man C=C[C@@](C)(O)CC[C@H]1CCC[C@H]2C(C)(C)CCC[C@]21C 5499670 VVUVZVUAPNPEDQ-JFRXWTBNSA-N 278.480 5.336 30 40 CKEB CC(C)/C(=N/N=C(\c1ccccc1)C(C)C)c1ccccc1 17043036 SAZJQRZEFJJZJF-WRBBJXAJSA-N 292.426 5.192 30 40 CKEB CC(C)(C)C(=O)/C=C\c1cccc(Oc2ccccc2)c1 17212233 OBLPOFIMGCYGIC-SEYXRHQNSA-N 280.367 5.107 30 40 CKEB CCCCCCCC[C@H]1C[C@@H]1CCCCCCCC(=O)O 42765014 PDXZQLDUVAKMBQ-ROUUACIJSA-N 296.495 6.188 30 40 CKEB biogenic,in-vitro CCCCCCCCCCC[C@@H](N)c1ccc(C)cc1 100688968 MTEATTHFJDCQLP-LJQANCHMSA-N 275.480 5.916 30 40 CKEB C=CCn1cc(-c2nc3ccccc3s2)c2ccccc21 409190127 KZILXQNTEIMKSP-UHFFFAOYSA-N 290.391 5.104 30 40 CKEB CCCCCCCCC[C@H]1O[C@@H](C)CC(C)(C)O1 1683602 QYDJHALLCQLSOO-GJZGRUSLSA-N 256.430 5.057 30 40 CKEB CSc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 4582392 JBUHGJTZBUMRSR-XDHOZWIPSA-N 293.391 5.018 30 40 CKEB CCCCCCCCC[C@@H](CCCCC)C(=O)NC 101673687 UMIOJNNWFLSVAD-MRXNPFEDSA-N 269.473 5.070 30 40 CKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N/O 4084126 XPZHAZFQUFNMAU-GAULYYSQSA-N 289.463 5.249 30 40 CKEB CCCCCCCCCCCCC(=O)N(CC)CC 104156431 SFGDZCIBERLCGL-UHFFFAOYSA-N 269.473 5.166 30 40 CKEB CCCCCCCCC(CO)CCCCCCCC 113229598 JYZLSYFPFQTNNO-UHFFFAOYSA-N 270.501 6.096 30 40 CKEB CCCCCCCC(=O)Nc1cc(Cl)ccc1Cl 3124646 FSFNYZWQMIBIKK-UHFFFAOYSA-N 288.218 5.292 30 40 CKEB FC(F)(F)c1ccc(/C=N/c2cccc3ccccc23)cc1 4705044 HNOCMAHSYPJLCJ-WSDLNYQXSA-N 299.295 5.609 30 40 CKEB CCCCCCCC(=O)c1ccc(CCCC)cc1 59211574 ADTSMHVXDAZPRB-UHFFFAOYSA-N 260.421 5.572 30 40 CKEB C/C(=N\Nc1ccc(C)c(Cl)c1)c1ccc(Cl)s1 5414860 ISVKUHOXOKLLOX-CXUHLZMHSA-N 299.226 5.199 30 40 CKEB CCCCCCCCCc1ccc(O)c(Cl)c1 1595034 HJBUWTLHZIRBIM-UHFFFAOYSA-N 254.801 5.339 30 40 CKEB CCCCCCCCCCCCOc1ccc(F)cc1C 1732347 DAGHOJGVSBRNPO-UHFFFAOYSA-N 294.454 6.434 30 40 CKEB Clc1ccccc1-c1ccc(/C=N/Nc2ccccc2)o1 3900557 AHQUWPGROQSLNO-XDHOZWIPSA-N 296.757 5.046 30 40 CKEB N#Cc1ccc(OCc2sc3ccccc3c2Cl)cc1 12695350 ZRXPGVXYMFFCQU-UHFFFAOYSA-N 299.782 5.005 30 40 CKEB CCCC[C@@H](/C=N\N=C\[C@H](CC)CCCC)CC 17020036 FHVPAZLVJZJLPQ-NIXVTTLOSA-N 252.446 5.476 30 40 CKEB CCCCCCCCCCC#Cc1cc(F)ccc1OC 101735754 HKSCBJFQQLETIE-UHFFFAOYSA-N 290.422 5.717 30 40 CKEB CCn1c(C)cc(/C=N/c2cccc3ccccc23)c1C 409108830 YDBUQYSHOMBHRS-DEDYPNTBSA-N 276.383 5.029 30 40 CKEB N#C[C@@]12CCCC[C@H]1CC1=C(CCCC1)N2c1ccccc1 2279426 PCKPVHHMIHMOOT-PXNSSMCTSA-N 292.426 5.177 30 40 CKEB CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1 6964646 LQKWMJRDSDLRKT-KGENOOAVSA-N 289.378 5.298 30 40 CKEB Cc1ccc(/N=C\c2ccc(C(C)(C)C)cc2)cc1 58883369 DFCJQFYQOWORRM-UYRXBGFRSA-N 251.373 5.043 30 40 CKEB Clc1c(/C=N/Nc2ccccc2)sc2ccccc12 4814989 UYMOBIJKEUQFQT-LICLKQGHSA-N 286.787 5.001 30 40 CKEB CCCCCCCc1ccc(C(=O)C2CCCCC2)cc1 575357352 DTSFYUYZJTUKKJ-UHFFFAOYSA-N 286.459 5.963 30 40 CKEB COc1ccc(-c2ccc(/C=N/c3ccc(C)cc3)o2)cc1 272111 KWOMUAKTDZAOIQ-DEDYPNTBSA-N 291.350 5.014 30 40 CKEB CCCCCCCCC[C@H](O)CCCCCCCC 59210174 URMHMMMIVAECEM-GOSISDBHSA-N 270.501 6.239 30 40 CKEB CC1(C)C/C(=C\c2ccc(Cl)cc2)C(=O)c2ccccc21 16973547 HFLZOOFWBQTRBZ-SDNWHVSQSA-N 296.797 5.288 30 40 CKEB CCCCCCCCCC(N)CCCCCCCCC 100300729 DEKCSXCNXGALFT-UHFFFAOYSA-N 283.544 6.595 30 40 CKEB Clc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 408960500 MLRXPMHKIUOXLJ-ZHZULCJRSA-N 298.817 5.081 30 40 CKEB Cl/N=C(\Nc1ccccc1Cl)c1ccccc1Cl 5583187 MTABFBIPYVXXTN-UHFFFAOYSA-N 299.588 5.006 30 40 CKEB Cc1ccccc1C(=O)/C=C\c1ccc(Cl)c(Cl)c1 32167921 YDRNHEDMTCYULX-CLFYSBASSA-N 291.177 5.198 30 40 CKEB CC(C)c1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 101768444 NXPNIIVDSSUDBB-QNGOZBTKSA-N 292.426 5.161 30 40 CKEB Cc1c(/C=N\c2cccc3ccccc23)c2ccccc2n1C 408853286 NAEWBULCAHDQAY-HMAPJEAMSA-N 298.389 5.391 30 40 CKEB CCCCCCCc1ccc(C(=O)C(F)(F)Cl)cc1 575243164 UTGLZJLVFBJUBZ-UHFFFAOYSA-N 288.765 5.214 30 40 CKEB CCCC[C@@H](CC)CC[C@H](CC(C)C)OCCC#N 1729703 ZJVAVXYEMLQDSU-IAGOWNOFSA-N 267.457 5.328 30 40 CKEB COc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl 8570815 XCPUWVCASGVGLJ-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB C(=C\c1ccccc1)\C=N/c1ccc2c(c1)Cc1ccccc1-2 8612416 KNNZYQMTSPFAGR-ZCCHZLDOSA-N 295.385 5.674 30 40 CKEB in-vitro CCCCCCCCCCCCCCCCCCC(N)=O 100166944 NDWDRKVPQQKKJM-UHFFFAOYSA-N 297.527 6.123 30 40 CKEB Oc1ccccc1/N=C/c1sc2ccccc2c1Cl 100830413 DKURWBHBLPEHHW-RQZCQDPDSA-N 287.771 5.011 30 40 CKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 6159367 FNWPBNPIRCRVPD-AWNIVKPZSA-N 298.813 5.534 30 40 CKEB CCCCCCCCC1OCC(CC)(CCCC)CO1 100300022 LJMUZBYRGSNUOQ-UHFFFAOYSA-N 284.484 5.697 30 40 CKEB CC(C)c1ccc(/C=N/N=C/c2ccc(C(C)C)cc2)cc1 1711899 PJIGTEXYLLRIRT-JFMUQQRKSA-N 292.426 5.386 30 40 CKEB C=C(C)C(=O)OCCCCCCCCCCCCCC 86052004 ATZHWSYYKQKSSY-UHFFFAOYSA-N 282.468 5.807 30 40 CKEB in-vitro O=C(/C=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1 17120336 YGBYJPWPAIVCHU-CLFYSBASSA-N 283.198 5.156 30 40 CKEB CCCCCC[C@@](C)(O)C#Cc1ccc(Cl)c(Cl)c1 95633485 BQSTXIUANKQXHB-MRXNPFEDSA-N 299.241 5.066 30 40 CKEB CCCCCCCCCCCCSC(=S)NC 104388833 GGTINBUZLIQBKJ-UHFFFAOYSA-N 275.527 5.145 30 40 CKEB CCCCCCCCC(=O)c1ccc(OC(C)(C)C)cc1 101470598 PEHVCYPLRMJLJA-UHFFFAOYSA-N 290.447 5.797 30 40 CKEB C(=N\c1ccc(/N=C\c2ccccc2)cc1)\c1ccccc1 101481874 JEPNTPUNAKFAOY-BMJUYKDLSA-N 284.362 5.188 30 40 CKEB Cc1ccc(/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 1093441 OQHVDOWFCINIJA-UDWIEESQSA-N 279.314 5.145 30 40 CKEB CCCCCCCCCC[C@H]1CN(CCCC)CCO1 100923455 KTPDUPBFKLHABD-SFHVURJKSA-N 283.500 5.018 30 40 CKEB CC1(C)CC(=O)C2=C(C1)C[C@@]1(C)CC(C)(C)C[C@@]2(Cl)C1 103109023 SQQIERGXMVUMSE-ZWKOTPCHSA-N 294.866 5.270 30 40 CKEB CCCCCCCCCCCC(=O)Nc1ccc(N)cc1 98042682 DZJVPNHTOGSBCU-UHFFFAOYSA-N 290.451 5.128 30 40 CKEB CCCCCCCc1ccc(-c2ccc(C(C)=O)cc2)cc1 101104783 QQQSUVSRXPLWAH-UHFFFAOYSA-N 294.438 6.069 30 40 CKEB CCCCCCCCCCCC(=O)Nc1ccccc1 85659466 YGKDYOGEVVXBKW-UHFFFAOYSA-N 275.436 5.546 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1CCC[C@H]2C(C)(C)CCC[C@@]21C 5499677 VVUVZVUAPNPEDQ-UKBAYJJMSA-N 278.480 5.336 30 40 CKEB CCCOc1ccc(/C=N/c2ccc(C)cc2)cc1Cl 6941833 PBZSLHHCLXSBGL-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCCO 100300010 FAEAERQPRQJZOC-ROUUACIJSA-N 284.484 5.227 30 40 CKEB CCCCCCCCCC[C@H](O)CCCCCC 100683367 KJWLAZDNFRTNJS-QGZVFWFLSA-N 256.474 5.849 30 40 CKEB CCCCCCC/C=C\CCCCCCCCC(=O)O 8034996 QXJSBBXBKPUZAA-HJWRWDBZSA-N 282.468 6.109 30 40 CKEB C=CCNC(=O)[C@H](CCCCC)CCCCCCCCC 101673661 WPRQHXCNUOUDLF-GOSISDBHSA-N 295.511 5.626 30 40 CKEB Clc1ccc(/C=N/c2ccc(N3CCCCC3)cc2)cc1 3033382 CVDMCZRPHHGLPO-XSFVSMFZSA-N 298.817 5.081 30 40 CKEB CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1 6880849 JRIFBWSJUBHHCL-XDHOZWIPSA-N 287.790 5.188 30 40 CKEB C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(OC)cc(C)cc1OC 13831210 ICHJMVMWPKLUKT-HZPDHXFCSA-N 286.415 5.028 30 40 CKEB N#CCCCCCCC/C=C\CCCCCCCC#N 98174983 PBBMNRLMEQWBGU-UPHRSURJSA-N 274.452 6.051 30 40 CKEB CCCCCCCCCCCC(=O)c1cccc(OC)c1 101474562 YEJVXCMFWMHDEE-UHFFFAOYSA-N 290.447 5.799 30 40 CKEB CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Cl 6963968 DVIRSVLTFDFGJO-YBFXNURJSA-N 287.790 5.106 30 40 CKEB COc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl 8277883 DTCNCTMZTLCVEA-GIJQJNRQSA-N 294.181 5.061 30 40 CKEB C=C[C@](C)(O)C[C@H](C)CCCCC[C@@H](C)CCCC(C)C 32218662 IOLVAUYSSNEWQQ-AQNXPRMDSA-N 296.539 6.363 30 40 CKEB COc1ccc2ccccc2c1/C=N/c1ccccc1Cl 65366 HGSVXIBNWRKWHG-UDWIEESQSA-N 295.769 5.252 30 40 CKEB CCCCCCCCCCCC(=O)Nc1cc(C)ccn1 8450724 NHRFNKFLOXYNKX-UHFFFAOYSA-N 290.451 5.249 30 40 CKEB CCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1 101004816 VKMLCPHQDWRURW-UHFFFAOYSA-N 298.426 5.799 30 40 CKEB C=Cc1ccc(CCCCCCCCCCCC)cc1 2571952 WJNKJKGZKFOLOJ-UHFFFAOYSA-N 272.476 6.793 30 40 CKEB CCCCCCCCNC/C=C/c1ccc(Cl)cc1 105346691 BIRVUNPIVOPJGB-CMDGGOBGSA-N 279.855 5.303 30 40 CKEB O=C(/C=C\c1ccc(Cl)cc1)c1ccc2ccccc2c1 17314061 UYSQTRSUAALZHQ-GHXNOFRVSA-N 292.765 5.389 30 40 CKEB CCCCCCCC#Cc1cc(Cl)cc(Cl)c1 101734780 REZPAGRLYIJMCY-UHFFFAOYSA-N 269.215 5.705 30 40 CKEB CCCCCCCCCC1=NC(C)(C)CN1C(C)C 1759112 XIMSIUOCATYDPG-UHFFFAOYSA-N 266.473 5.028 30 40 CKEB CCCCCCCCC(=O)c1ccc(-c2ccccc2)cc1 2267298 PRBMKDZQCUPVBR-UHFFFAOYSA-N 294.438 6.287 30 40 CKEB Cc1ccc(NN=C2c3ccccc3-c3ccccc32)c(C)c1 4924721 AFKAUKIIAQKHLF-UHFFFAOYSA-N 298.389 5.148 30 40 CKEB CCCCCCCC(=O)OC/C=C(/C)CCC=C(C)C 85645784 YYBMOGCOPQVSLQ-VKAVYKQESA-N 280.452 5.583 30 40 CKEB C[C@]12CCC[C@@H]1[C@@H]1CC[C@@H]3C[C@H](C#N)CC[C@@]3(C)[C@H]1CC2 253617388 KLNWLDZOCLFNHL-DXXZMKCOSA-N 285.475 5.559 30 40 CKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccco1 4280531 QURKMPLWUBYYQJ-VAWYXSNFSA-N 298.341 5.482 30 40 CKEB CCCCCCCCCCCCOC(=O)c1ccccc1 44418292 DLAHAXOYRFRPFQ-UHFFFAOYSA-N 290.447 5.764 30 40 CKEB in-man N#Cc1ccc(CSc2cccc3ccccc23)cc1 409179493 PBUWDNMFBAWIJN-UHFFFAOYSA-N 275.376 5.004 30 40 CKEB O=C(/C=C/c1ccc(Cl)cc1)c1cccc2ccccc12 5280501 WXEOEECZHYYPAS-JLHYYAGUSA-N 292.765 5.389 30 40 CKEB CCCCCCCCCCCCc1ccc(CS)cc1 78846892 MGHOMBZRLVDFEY-UHFFFAOYSA-N 292.532 6.580 30 40 CKEB Cc1ccc(/C=C\C(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 33374240 HHIXBTDSXAQABX-QXMHVHEDSA-N 292.422 5.433 30 40 CKEB CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C 8426962 MRXKAJQXWDBTPD-IAGOWNOFSA-N 287.447 5.320 30 40 CKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CO1 118916238 ANNNCUHEIXOQTD-IJMQKCTASA-N 288.475 5.188 30 40 CKEB CCCCCCCCCC[C@@H](/C=N\O)NC1CCCCC1 100932007 RZBPLZSYHDJWMK-ORKPOYISSA-N 296.499 5.268 30 40 CKEB C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118927723 ILBLGWAWNQYOHW-RABCQHRBSA-N 272.476 5.975 30 40 CKEB CC1=C(/C=C/C(C)=C/C#C[Si](C)(C)C)C(C)(C)CCC1 205147287 ZJGZJNHUUDMYPM-XTQLBDSXSA-N 286.535 5.896 30 40 CKEB CCCCCCCCC[C@H]1O[C@H](C)CC(C)(C)O1 1683604 QYDJHALLCQLSOO-CABCVRRESA-N 256.430 5.057 30 40 CKEB CCCCCCCCCCCC(=O)O[C@H](C)CC 85878721 VQEUONXRKIUTJT-OAHLLOKOSA-N 256.430 5.249 30 40 CKEB CCCCCCCCOc1ccccc1Br 100799773 KRRMWCZXDODTPP-UHFFFAOYSA-N 285.225 5.188 30 40 CKEB CCCCCCCCCCCC(=O)Oc1ccc(O)cc1 1679486 QNRAYAXRAQNLMV-UHFFFAOYSA-N 292.419 5.219 30 40 CKEB CC(C)(C)C1CCC(=C2C[C@@H](C(C)(C)C)CCC2=O)CC1 4530450 LJSPYFOTXSYUAC-LYKKTTPLSA-N 290.491 5.935 30 40 CKEB C(=N/c1ccccc1)\c1ccccc1OCc1ccccc1 1087211 VGLBUUWZLZDGJV-RCCKNPSSSA-N 287.362 5.016 30 40 CKEB CC(=O)c1ccc(N=C2c3ccccc3-c3ccccc32)cc1 3129954 NJFMPXHAVRBLER-UHFFFAOYSA-N 297.357 5.039 30 40 CKEB CCCCCCc1ccc(C#Cc2ccc(CC)cc2)cc1 71603032 ZCEJWGXSGOFJTA-UHFFFAOYSA-N 290.450 5.772 30 40 CKEB CCCCCCCCCCC/C=C/C(F)(F)F 103530845 AJOKZXDKYZOMOS-OUKQBFOZSA-N 250.348 6.026 30 40 CKEB CC1(C)C/C(=C/c2cccc(Cl)c2)C(=O)c2ccccc21 1754606 CUPIIURISRGLHN-UVTDQMKNSA-N 296.797 5.288 30 40 CKEB CCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 2584504 HOVWLRKKOQRZAJ-LTGZKZEYSA-N 295.426 5.569 30 40 CKEB CCCCCCCCCCCCOc1ccc(C#N)cc1 1920195 VFFSOWACIHOEOF-UHFFFAOYSA-N 287.447 5.858 30 40 CKEB biogenic CCCCCCCC[Si](C(C)C)(C(C)C)N(C)C 195782349 KWIDFNSKSFZDPV-UHFFFAOYSA-N 271.565 5.674 30 40 CKEB CC(C)c1cc(/C=N\Nc2ccccc2)cc(C(C)C)c1O 408848428 USJDMZGJUMFMKB-NDENLUEZSA-N 296.414 5.085 30 40 CKEB Clc1nc2ccccc2cc1/C=N/CCC1=CCCCC1 3445860 IMASAUOSKJPGLG-DEDYPNTBSA-N 298.817 5.198 30 40 CKEB CCCCCCCC(=O)c1cc(F)cc(Cl)c1 101471045 WQPMFDSRFVZUTQ-UHFFFAOYSA-N 256.748 5.022 30 40 CKEB CCCCCCCCC[C@@H](O)CCCCCCCC 101505796 URMHMMMIVAECEM-SFHVURJKSA-N 270.501 6.239 30 40 CKEB CCCCCCCCCCCCCC(F)(F)F 103525949 BRFOGXUPTWXBDG-UHFFFAOYSA-N 252.364 6.250 30 40 CKEB CCCCCCCCCCCn1c(C)nc2ccccc21 2193710 SOXRFHDHXIOAFP-UHFFFAOYSA-N 286.463 5.876 30 40 CKEB CCCCCCCCCCCC(=O)Nc1ccccc1C 3154569 NCODNDPXXGMZNS-UHFFFAOYSA-N 289.463 5.854 30 40 CKEB Cc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 6206957 LJYBVGSHMDROMN-VMPITWQZSA-N 291.177 5.198 30 40 CKEB C=C(CCC=C(C)C)[C@@H]1CC[C@H](C)O[C@@H]1c1ccccc1 12654681 USDNJLFMSOKPKT-YSIASYRMSA-N 284.443 5.845 30 40 CKEB biogenic O=C1/C(=C\c2cccs2)CCC/C1=C\c1cccs1 18128038 KHXBULXCCPIELT-PJABCKPXSA-N 286.421 5.030 30 40 CKEB in-man Clc1cccc(-c2ccc(/C=N/Nc3ccccc3)o2)c1 58822375 JZJSMMZTBKMVOH-XDHOZWIPSA-N 296.757 5.046 30 40 CKEB CCCCCCCCCCCCCCn1cc(N)cn1 100412785 SKAZIDIGVIXFMP-UHFFFAOYSA-N 279.472 5.166 30 40 CKEB CCCCC/C(C)=C1/Oc2c(C)c(C)cc(C)c2C1=O 104151491 CWONGEACUFNMJN-GZTJUZNOSA-N 272.388 5.041 30 40 CKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 6313492 HUGXRMXFCYFWTE-JLHYYAGUSA-N 298.813 5.534 30 40 CKEB CC[C@H](C)CCCC/C=C\CCCCCCC=O 31361484 HSGUJTMCFWXGAP-WVRJYTFGSA-N 252.442 5.689 30 40 CKEB CCc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 32153828 VECYMDOSPOEAEX-XNTDXEJSSA-N 292.422 5.443 30 40 CKEB C(=N/c1ccccc1)\c1ccc(/C=N/c2ccccc2)cc1 100811961 XYMUFEVKENAHFB-YHARCJFQSA-N 284.362 5.188 30 40 CKEB in-vitro CCCCCCCCCCC[C@@H]1CCC[C@H](C)N1 1659751 AYJGABFBAYKWDX-DLBZAZTESA-N 253.474 5.438 30 40 CKEB biogenic C(=C\c1ccccc1)\C=N/n1c2ccccc2c2ccccc21 4728793 RPDKBAYLZKCNBY-RFKFONHCSA-N 296.373 5.342 30 40 CKEB C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccccc1 100059819 MZLBNAQKLUROAC-KGENOOAVSA-N 269.347 5.008 30 40 CKEB in-vitro CCCCCCC#Cc1ccc(-c2ccccc2)cc1 101734591 BBTSFMCJZUWZFA-UHFFFAOYSA-N 262.396 5.676 30 40 CKEB Cc1ccccc1C(=O)/C=C\c1c(Cl)cccc1Cl 33378726 GTQTUJZTAPVRGL-KTKRTIGZSA-N 291.177 5.198 30 40 CKEB Clc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1 100950161 WQOLVZSVRHGODE-CAOOACKPSA-N 284.573 5.397 30 40 CKEB CCCCCCCCC(=O)c1ccc(C(C)(C)C)cc1 101470852 SAEFQTIVZKBCTA-UHFFFAOYSA-N 274.448 5.917 30 40 CKEB CC/C(=N/O)c1ccc2cc(Cl)c3ccccc3c2c1 104372541 YLGGLONKSBOZFO-ZPHPHTNESA-N 283.758 5.235 30 40 CKEB C(=N/c1cccc(/N=C/c2ccsc2)c1)\c1ccsc1 3236757 OZFLVZSCGVKECG-BEQMOXJMSA-N 296.420 5.311 30 40 CKEB CC(C)c1ccccc1/N=C/c1ccc2ccccc2c1O 100248547 CGGWQFXLKJNIDX-FYJGNVAPSA-N 289.378 5.419 30 40 CKEB CCCCCCCCCCC#Cc1ccc(F)c(Cl)c1 101734693 XIWKHEPBQWVNFR-UHFFFAOYSA-N 294.841 6.361 30 40 CKEB O/N=C1\CCCCCCCCCC[C@@H]1Nc1ccccc1 5338439 IXBWCBRKVRWDNS-DMEQXSTQSA-N 288.435 5.212 30 40 CKEB Cc1ccc(C)c(/N=C/c2cccc3ccccc23)c1 5541940 DFWSGAKENMASFR-DEDYPNTBSA-N 259.352 5.207 30 40 CKEB CCCCCCCCCCCCCCCCNC[C@@H](C)O 82045684 PJJWFLQTCVHCIU-LJQANCHMSA-N 299.543 5.438 30 40 CKEB CCCCCCCCCCCC1=NC(C)(C)CO1 1759106 FREPJBZLNPPGDM-UHFFFAOYSA-N 253.430 5.115 30 40 CKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CO1 14904180 ANNNCUHEIXOQTD-BCPGGHEJSA-N 288.475 5.188 30 40 CKEB Cc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1C 51318616 AUENVKLZMSDXBP-VAWYXSNFSA-N 293.410 5.235 30 40 CKEB CCCCCCCCCC(=O)c1ccc(OC)cc1 100076992 LAVLQQKHORTNFF-UHFFFAOYSA-N 262.393 5.019 30 40 CKEB CCCCCCCCCCCCCCCCCC(C)C 103600918 LEEDMQGKBNGPDN-UHFFFAOYSA-N 282.556 7.904 30 40 CKEB c1ccc([C@H]2Cc3ccccc3/C2=N/C2CCCCC2)cc1 104136019 AKMYNJLWHQZXQF-VWKSNAFDSA-N 289.422 5.148 30 40 CKEB CCCCCCCCCCC[C@@H](NN)c1ccccc1 199538063 CDWLIOANOQQPPA-GOSISDBHSA-N 276.468 5.112 30 40 CKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 17197268 ZBJPOWYVNNEFRF-WAPJZHGLSA-N 295.140 5.029 30 40 CKEB CC1=C/C(=N\N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1 17310803 XJEYYLXANADAGE-VBGLAJCLSA-N 272.436 5.316 30 40 CKEB CCCCCCCCCC[C@H](O)CCCCCCCC 102999234 HLHQTVSGPIZGAW-LJQANCHMSA-N 284.528 6.629 30 40 CKEB C=C[C@@](C)(O)C[C@H](C)CCCCC[C@@H](C)CCCC(C)C 4285753 IOLVAUYSSNEWQQ-VAMGGRTRSA-N 296.539 6.363 30 40 CKEB C=C1S/C(=N\c2ccccc2)[C@]1(CC)c1ccccc1 5674194 YJWKAKPZLZMTLQ-VZCCSQPZSA-N 279.408 5.325 30 40 CKEB C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 15167693 QXVXYNOIXUIXBI-NDLVVHCESA-N 284.443 6.092 30 40 CKEB biogenic CCCCC[C@@H](CSCC)C(=O)/C=C\c1ccccc1 17125313 WUSCEWCYPXVUFP-NJWFCXLTSA-N 290.472 5.219 30 40 CKEB CCCCCC[C@@](C)(O)C#Cc1ccc(CCCC)cc1 95633288 DLLGJGCGACVAHJ-HXUWFJFHSA-N 286.459 5.102 30 40 CKEB Cc1c(/C=N\c2ccc(C(C)C)cc2)c2ccccc2n1C 408854979 BOEMDTXQLOBWKM-BKUYFWCQSA-N 290.410 5.361 30 40 CKEB CC(C)/C(=N/N=C(/c1ccccc1)C(C)C)c1ccccc1 5338885 SAZJQRZEFJJZJF-OLAQIDGISA-N 292.426 5.192 30 40 CKEB CCCCCC/C=N\Nc1nc(-c2ccccc2)cs1 8385578 YPWXIIOTCLOFTG-ATVHPVEESA-N 287.432 5.178 30 40 CKEB CCCCCCCC(=O)c1ccc(Cl)c(C)c1 101471665 VCLQDZSUHIPSLQ-UHFFFAOYSA-N 252.785 5.192 30 40 CKEB O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1 4726213 WUPSFOFYQONBKI-DTQAZKPQSA-N 284.358 5.250 30 40 CKEB C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]12C 4802491 CECREIRZLPLYDM-XEYPJELSSA-N 290.491 5.502 30 40 CKEB CCCCCCCCCOc1ccc(C=O)cc1OCC 100649702 SOLWGKXSYKYHMD-UHFFFAOYSA-N 292.419 5.027 30 40 CKEB CCCCCCCCCN(CCCC)CCCC 100076318 NHKNBZHSJIZXEI-UHFFFAOYSA-N 255.490 5.639 30 40 CKEB CCCCCCCCCCCC(=O)OC/C=C\Cl 104372729 YUEYUHPIRQCQLL-QBFSEMIESA-N 274.832 5.203 30 40 CKEB C[C@@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 104202216 YKSJJIVIUQUODD-AGGMBTAESA-N 298.389 5.148 30 40 CKEB CCCCCCCCCCCCCCCN(C)C 43524406 SNHHYQWNNZIBLN-UHFFFAOYSA-N 255.490 5.639 30 40 CKEB CCCCCCCCCC/C=C/CCCCC(C)C 86051832 XDBKLFODBADBED-BUHFOSPRSA-N 266.513 7.290 30 40 CKEB Cc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 7714916 QEQXLVIUFTULTK-XNTDXEJSSA-N 298.385 5.558 30 40 CKEB CCCCCCCCCCCCSCN(CC)CC 104205584 TVUCKKYOHJETKQ-UHFFFAOYSA-N 287.557 5.940 30 40 CKEB c1ccc2c(/N=C3\Nc4cccc5cccc3c45)cccc2c1 4901796 MUWWLPRFXGDRIT-UHFFFAOYSA-N 294.357 5.497 30 40 CKEB CCCCCCCCC(=O)c1ccc(SC)cc1 101474973 WYQRZIJIHBLHDT-UHFFFAOYSA-N 264.434 5.342 30 40 CKEB CCCCCCCCC(=O)Nc1cc(Cl)ccc1OC 2088342 SQQDIXMNRUBZJE-UHFFFAOYSA-N 297.826 5.038 30 40 CKEB C=C(C)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 95902248 OMMPEONYZCNUEU-UHFFFAOYSA-N 258.449 5.790 30 40 CKEB CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCC(=O)O 100297338 HPQKQYUHTBMKOE-DLBZAZTESA-N 298.467 5.320 30 40 CKEB CCCCCCCCCCCC(=O)c1ccccc1OC 100922105 FIXMCDLBLUZOCO-UHFFFAOYSA-N 290.447 5.799 30 40 CKEB CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3)cc21 196874822 HALXBRZQSQCIAI-KGENOOAVSA-N 290.410 5.069 30 40 CKEB