smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C(Cl)CCc1ccc(Cl)cc1 2567475 ZUODNHAQAHCATF-UHFFFAOYSA-N 201.096 4.025 30 40 BIEB C=C(C)C(=O)c1ccc(-c2ccccc2)c(F)c1 575242859 QPZYIAVOJRYMEA-UHFFFAOYSA-N 240.277 4.252 30 40 BIEB CCCC(CCC)C(=O)c1ccc(C#N)c(F)c1 575361994 ZQNVLEGRBIHVGB-UHFFFAOYSA-N 247.313 4.096 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)o1 14199298 JDYKOSMIPJOGOL-VMPITWQZSA-N 246.693 4.138 30 40 BIEB COc1ccc(/C=N/c2ccccc2)cc1Cl 8161511 MBYUGFQCURNHTE-MHWRWJLKSA-N 245.709 4.099 30 40 BIEB C(#Cc1ccc2ccccc2c1)c1ccccc1 67736687 YWYQOEKJHFVGGK-UHFFFAOYSA-N 228.294 4.240 30 40 BIEB C=C(Cl)Cc1ccc2ccccc2c1 85650733 GGDYBDFCBZZOKK-UHFFFAOYSA-N 202.684 4.135 30 40 BIEB Cc1ccccc1/N=C1\CCCc2ccccc21 1055282 QGUQRABWOPDIRG-ISLYRVAYSA-N 235.330 4.452 30 40 BIEB N#Cc1ccc2ccc3cccc4ccc1c2c34 26898577 LLSYZMNMWXDYMT-UHFFFAOYSA-N 227.266 4.456 30 40 BIEB CCCCCCCCCCSCCCO 100245871 QQHJYSKXGMEZIM-UHFFFAOYSA-N 232.433 4.243 30 40 BIEB Oc1ccccc1/C=N/c1ccc2ccccc2c1 100287990 FLUBOKFZUHGTFP-LDADJPATSA-N 247.297 4.296 30 40 BIEB C=C(C)CCc1ccc(OC(F)(F)F)cc1 711323149 VXGHUUIEIZDTHO-UHFFFAOYSA-N 230.229 4.094 30 40 BIEB CCCCCCCCNCc1ccccc1C 102561676 MLCPWKVYBAWRFC-UHFFFAOYSA-N 233.399 4.445 30 40 BIEB CCOc1ccccc1/C=N/c1ccc(C)cc1 571101 DLAQRGSMPIPTPB-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB C=C(C)CN1CCC[C@@H]1c1ccccc1Cl 72270848 VQSQLTLEAQCSDX-CQSZACIVSA-N 235.758 4.053 30 40 BIEB CC(C)c1ccc(/C=C2/CCCCC2=O)cc1 31723493 YIVMYXSUOIAOJK-PTNGSMBKSA-N 228.335 4.337 30 40 BIEB Cc1ccc(C#Cc2ccc(C)c(Cl)c2)cc1 95631640 UEJHHLQEGVTXAA-UHFFFAOYSA-N 240.733 4.357 30 40 BIEB Cc1ccccc1/N=C/c1c[nH]c2ccccc12 4673337 HPFDWZUVWZKNKD-LICLKQGHSA-N 234.302 4.227 30 40 BIEB C=CCc1cc(Cl)ccc1OCCCC 95730423 HANRMOHZLSZBEP-UHFFFAOYSA-N 224.731 4.247 30 40 BIEB N#CC1(c2cccc(C(F)(F)F)c2)CCCC1 34940485 PPWAFEUEQXZITI-UHFFFAOYSA-N 239.240 4.041 30 40 BIEB CC1(C)CC(O)=C/C(=N/c2ccc(F)cc2)C1 103437999 WNDBYXWQTGCDBP-VBKFSLOCSA-N 233.286 4.160 30 40 BIEB O=C1CCCCC/C1=C\Nc1ccc(Cl)cc1 6472396 BLLUMSYYUCTXMO-ZHACJKMWSA-N 249.741 4.169 30 40 BIEB CCCCc1ccc(C#C[Si](C)(C)C)cc1 195926140 KYIKUHPMIJDQQJ-UHFFFAOYSA-N 230.427 4.258 30 40 BIEB CCCCCCCC(=O)Oc1ccccc1C 1608749 NMAANFSPVGBLMC-UHFFFAOYSA-N 234.339 4.261 30 40 BIEB [N-]=[N+]=Nc1ccnc2cc(C(F)(F)F)ccc12 16942222 CTHLYMHOLICEFM-UHFFFAOYSA-N 238.172 4.195 30 40 BIEB CN(C)/C=N\c1c2ccccc2cc2ccccc12 104147798 WSKALTVKTKSMDO-PDGQHHTCSA-N 248.329 4.214 30 40 BIEB CC(C)C[C@@H](C)/N=C1/C=CCC[C@@H]1C(C)C 104370318 JVGWTFUPNVXLGT-PSVJWRSCSA-N 221.388 4.484 30 40 BIEB Cc1ccc(/N=C/c2ccc(Cl)s2)cc1 224557478 IKBLFZZBEXZXLV-RIYZIHGNSA-N 235.739 4.461 30 40 BIEB Cc1ccc(Cl)cc1/N=C\c1ccccc1O 16998566 XIMATYDWNQNCNW-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB CCCCCCC#Cc1cc(F)c(F)c(F)c1 101734483 ZTRDEVRKSUMJCC-UHFFFAOYSA-N 240.268 4.426 30 40 BIEB O/N=C1\CCCC\C1=C/C=C\c1ccccc1 104133583 NTZJGJWGZJESSH-XTSKBWOMSA-N 227.307 4.030 30 40 BIEB C=CCNc1nc(-c2ccc(C)c(C)c2)cs1 5747018 FIIPZNNTOSGVPN-UHFFFAOYSA-N 244.363 4.025 30 40 BIEB CCCC[C@@H](C#N)c1ccc(Cl)cc1 2507106 KENWYAZHACTWDC-NSHDSACASA-N 207.704 4.137 30 40 BIEB CCCCCCCCOc1ccc(/C=N\O)cc1 103878076 PUFQYBJCWNHCIH-SSZFMOIBSA-N 249.354 4.234 30 40 BIEB C=CCCC(=O)c1csc2ccccc12 168416924 DZBALOKNVZILJR-UHFFFAOYSA-N 216.305 4.050 30 40 BIEB C/C=C\C=C/COC(=O)CCCCCCC 104158389 UPXUSZYJWOMQAJ-DGBPBKOVSA-N 224.344 4.022 30 40 BIEB CC(C)C[C@H](C)/N=C1\C=CCC[C@@H]1C(C)C 18097865 JVGWTFUPNVXLGT-CZYXKEEPSA-N 221.388 4.484 30 40 BIEB O=C(/C=C/c1ccccc1)c1ccc(Cl)s1 4722926 RXRRRWWGTQBBHT-VOTSOKGWSA-N 248.734 4.298 30 40 BIEB CCCC#Cc1ccc(OC(C)(C)C)cc1 95631439 IQMHCKAXLXSHLJ-UHFFFAOYSA-N 216.324 4.016 30 40 BIEB CCCCCC#Cc1cc(C)ccc1C 95726975 NXQNOBPNLHUTJD-UHFFFAOYSA-N 200.325 4.235 30 40 BIEB C[C@H](S)c1ccc(OCc2ccccc2)cc1 20476663 IFGHYVJFZJBXLA-LBPRGKRZSA-N 244.359 4.256 30 40 BIEB CCCCCCCCCCCC1=N[C@H](C)CN1 104261096 YWPDAKSNPWIZOX-CQSZACIVSA-N 238.419 4.298 30 40 BIEB Cc1c(Cl)cccc1C#CCC(C)C 95631604 GUENOKONELSCPE-UHFFFAOYSA-N 206.716 4.046 30 40 BIEB O=C(/C=C\C=C\c1ccccc1)c1ccccc1 6110767 QONKLJMPKWQQFG-IRRVLEPVSA-N 234.298 4.139 30 40 BIEB Cc1c(C#N)c(-c2ccccc2)nc2ccccc12 12970277 LHDNEOZIQPHHRU-UHFFFAOYSA-N 244.297 4.082 30 40 BIEB N#Cc1sc2cc(Cl)ccc2c1Cl 20160089 KVRVCOWCSWURKY-UHFFFAOYSA-N 228.103 4.080 30 40 BIEB CCCCCCCCC[C@@H](CC)C(=O)O 103582620 VZOMLDYIAWPSDV-GFCCVEGCSA-N 214.349 4.238 30 40 BIEB C/C=C/C(=O)c1ccc(-c2ccccc2)c(F)c1 575242755 KEWJVNXLRXPABN-QHHAFSJGSA-N 240.277 4.252 30 40 BIEB CCCCCCC(=O)/C=C/c1ccc(OC)cc1 1570347 ROONRUUQJRGHNB-DHZHZOJOSA-N 246.350 4.248 30 40 BIEB O=C1/C(=C\c2ccccc2)CC[C@@H]2CCCC[C@H]12 104138296 TXEVOSZFZIXULS-USPZYKGHSA-N 240.346 4.239 30 40 BIEB CCCCCCCCC/C=C\COC(C)=O 111486799 AMIUTTABDVIFDZ-QXMHVHEDSA-N 226.360 4.246 30 40 BIEB C=C(C)CCCc1ccc(SC)cc1 1848444258 NDZXTURPSNMQIL-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB C=CC[C@@H](Nc1ccccc1)c1ccco1 19015126 NHTXMDMUIXFGIE-CYBMUJFWSA-N 213.280 4.009 30 40 BIEB C=C(Cl)Cc1cccc(C(C)(C)C)c1 1848444266 OMCQGGRQZGYTKB-UHFFFAOYSA-N 208.732 4.279 30 40 BIEB CCCC[C@@](CC)(CC#N)c1ccccc1 1705850 KGUOIZTWGHWHHQ-HNNXBMFYSA-N 215.340 4.438 30 40 BIEB Cc1ccc(N/C=C2\CCCCCC2=O)cc1C 6390901 CWMYPSBRVMYXJV-SDNWHVSQSA-N 243.350 4.132 30 40 BIEB C=C(C)c1cc(O)c2c(c1C)[C@@H](C)CCC2 13300358 BPASRCZOCLQESM-JTQLQIEISA-N 216.324 4.174 30 40 BIEB biogenic C=CC1CCC(c2ccc(C#N)cc2)CC1 40442822 JHXJAWXZLWDDED-UHFFFAOYSA-N 211.308 4.018 30 40 BIEB C=C(Br)Cc1ccc(CCC)cc1 63339332 PCXOOGCSPJQTHM-UHFFFAOYSA-N 239.156 4.090 30 40 BIEB C=CC[C@H](Nc1ccc(F)cc1)c1ccco1 209358 QXJBXCWTBGFLLW-ZDUSSCGKSA-N 231.270 4.148 30 40 BIEB CC(C)=C1CC[C@H](C)/C(=C\c2ccccc2)C1=O 100364286 JWNCZXHFZOKMGP-XDUBLRSXSA-N 240.346 4.405 30 40 BIEB CCCCCCCCCC(=O)c1ccccn1 100071111 CYSGXUQRIQAJNP-UHFFFAOYSA-N 233.355 4.405 30 40 BIEB COc1ccccc1/C=N/c1cc(C)ccc1C 5541945 JCZDGHMIDCKEOW-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB CCc1ccc(/N=C/c2ccc(C)cc2)cc1 3098154 IADNVHYLFPDGKF-SFQUDFHCSA-N 223.319 4.308 30 40 BIEB CCCCCCCC(=O)c1ccccc1OC 101474492 KXMRSYWIPVCQQL-UHFFFAOYSA-N 234.339 4.238 30 40 BIEB N#Cc1cc2ccccc2cc1-c1ccccc1 71256752 GHPWVRQRKRWTTF-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB Cc1ccc(/N=C\c2ccccc2O)cc1Cl 95481360 UAXRVVVUIYPSRP-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB Cc1ccc(Cl)cc1N/C=C1/CCCCC1=O 103849605 RFFWEEKEYNFIQV-LUAWRHEFSA-N 249.741 4.087 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccccc2)cc1F 575357747 ZVRYLZFCLBVNPG-CSKARUKUSA-N 240.277 4.030 30 40 BIEB C=C(Br)CCCc1ccccc1C 85650655 HXOIOIJKSOXRMB-UHFFFAOYSA-N 239.156 4.226 30 40 BIEB C[C@@H](c1ccccc1)[C@H](C#N)c1ccccc1 1664071 DRIXCPODDGFEDD-BBRMVZONSA-N 221.303 4.097 30 40 BIEB CCc1ccc(/N=C/c2ccc(OC)cc2)cc1 2168298 YXRHVFQIDOTKKJ-SFQUDFHCSA-N 239.318 4.008 30 40 BIEB CCCCCCCCOc1ccc(/C=N/O)cc1 2274700 PUFQYBJCWNHCIH-DTQAZKPQSA-N 249.354 4.234 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 5362954 WLYWLOWMSMPRAU-MDZDMXLPSA-N 242.343 4.261 30 40 BIEB Cc1ccc(/N=C/c2ccccc2C)cc1 5543292 MOITWWTWFZMVFO-LFIBNONCSA-N 209.292 4.054 30 40 BIEB C/C(=C/C=N\C(C)(C)C)C[Si](C)(C)C 299888252 BOLUBIYKJJKYQE-PHRMNRNWSA-N 211.425 4.140 30 40 BIEB CC(C)c1ccccc1Oc1ccccc1C#N 19995060 IBRJLRHWYJHQPN-UHFFFAOYSA-N 237.302 4.474 30 40 BIEB C=CCCC(=O)c1ccc(Cl)cc1Cl 84506958 NRNFSTDVJDTLOM-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB COc1ccc(/C=N/c2ccc(Cl)cc2)cc1 100034326 WREIZRNCBYSYQW-MHWRWJLKSA-N 245.709 4.099 30 40 BIEB C=C(C)C(=O)c1cccc(-c2ccccc2)c1C 575243221 ZKNZGMSALHWLJN-UHFFFAOYSA-N 236.314 4.421 30 40 BIEB C=C(C)C[C@@H](NCc1ccco1)c1ccccc1 355908 HDQGWBOCKCPGSN-MRXNPFEDSA-N 241.334 4.077 30 40 BIEB C/C=C/C(=O)c1ccccc1-c1ccccc1 575242870 SBADITNQSHZVSP-KRXBUXKQSA-N 222.287 4.112 30 40 BIEB [N-]=[N+]=Nc1ccccc1-c1ccc([N+](=O)[O-])cc1 17003847 BGFSRQLXBXRFIZ-UHFFFAOYSA-N 240.222 4.204 30 40 BIEB O=C(/C=C\c1ccccc1)c1c[nH]c2ccccc12 17301012 KEZYTIZZNLLCGX-KHPPLWFESA-N 247.297 4.064 30 40 BIEB C=CCN(c1ccccc1)[C@@H](C)c1ccccc1 38418073 UBUPHTTZEHWQHG-HNNXBMFYSA-N 237.346 4.440 30 40 BIEB CCCCCCCSCCCCCC(=O)O 82200649 SRXKZCZQVYTRCL-UHFFFAOYSA-N 246.416 4.335 30 40 BIEB C=CCc1cccc(SCCCC)c1 95731223 QVAVFBUFVLVIMC-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB CCCCCCCCc1ccc([C@@H](C)NN)cc1 199537374 WPUDKUQXOMMARX-CQSZACIVSA-N 248.414 4.114 30 40 BIEB SCCCCCCOc1ccc(Cl)cc1 23115385 HPVNSSLCXASIPJ-UHFFFAOYSA-N 244.787 4.209 30 40 BIEB O=C1CCCCC/C1=C\Nc1cccc(Cl)c1 33398294 BCXSXMBUZZATMU-ZHACJKMWSA-N 249.741 4.169 30 40 BIEB C/C(=N/O)c1ccc2c(c1)[C@H](C)c1ccccc1-2 104089442 TWBZWLIAJBHLIB-YFYRARJZSA-N 237.302 4.017 30 40 BIEB C=CCCC(=O)/C=C\[C@H]1C(C)=CCCC1(C)C 100206906 FXCYGAGBPZQRJE-WOLCWHLNSA-N 232.367 4.460 30 40 BIEB C=C(Br)Cc1ccc(C)c(Cl)c1 71789749 NXFQOLKYBMTGQN-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB CCCCc1ccc(C#Cc2ccccc2)cc1 95633263 RCSXZTABUTYCBF-UHFFFAOYSA-N 234.342 4.429 30 40 BIEB CCCCCCCCC[C@@H](O)C(F)(F)F 95676558 FBHJYJKWINPBSZ-SNVBAGLBSA-N 226.282 4.050 30 40 BIEB C=C(Br)CCc1ccc(Cl)cc1 2567472 ZUMSAGDQIIDKQO-UHFFFAOYSA-N 245.547 4.181 30 40 BIEB CCCC[C@@H](CC)C(=O)c1ccc(C#N)c(F)c1 575361990 ZGALLLGNFBUTMR-LLVKDONJSA-N 247.313 4.096 30 40 BIEB CCCCCCCc1ccc(C=O)cc1 2569854 JRFVBFVDDUPPNQ-UHFFFAOYSA-N 204.313 4.012 30 40 BIEB CCCCCCCCCCc1ncc[nH]1 3204416 LYNVLWLRSACENL-UHFFFAOYSA-N 208.349 4.093 30 40 BIEB CCCC[C@@H](CC)COc1cscc1C#N 1857791573 JKMJVZOZAJRJMN-LLVKDONJSA-N 237.368 4.215 30 40 BIEB CCC/C(=N/c1ccccc1)SCC 17378800 UWUDNZHWOOEBGE-SEYXRHQNSA-N 207.342 4.270 30 40 BIEB CCCC[C@H](CC)C[C@@H](CC)COC[C@H]1CO1 242463837 DNYHBENUJOKOEB-ZNMIVQPWSA-N 242.403 4.035 30 40 BIEB N#CC1(Nc2ccc3ccccc3c2)CCCC1 1683933 DISYVHBBHOMQSI-UHFFFAOYSA-N 236.318 4.088 30 40 BIEB CCCC[C@H](/C=C1/CCCCC1=O)CC 16037376 KBSFOAUXMZPTDU-NPRUJURCSA-N 208.345 4.272 30 40 BIEB Cc1cc(C)cc(N/C=C2\CCCCCC2=O)c1 107813651 VHXPOWCQRRBELI-SDNWHVSQSA-N 243.350 4.132 30 40 BIEB N#C[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 8603139 NVMUWWIKRDQQQC-CQSZACIVSA-N 241.721 4.190 30 40 BIEB O=C1CCCCC/C1=C/c1cccc(Cl)c1 16958947 VTDQASDBYAELFK-XFXZXTDPSA-N 234.726 4.257 30 40 BIEB CC1(C)[C@@H]2CC=C(/C=N/c3ccccc3)[C@H]1C2 5295955 DGSSDYANFLGMLT-DRMGDSRLSA-N 225.335 4.381 30 40 BIEB C=C(C)C/C=C(/C(C)(C)O)[Si](C)(CC)CC 195812002 RNNHAHMEJMNMQA-QBFSEMIESA-N 240.463 4.308 30 40 BIEB C[C@@H](CC(=O)c1cccc(C#N)c1)CC(C)(C)C 575362077 ZISQGYLOWMQFHL-LBPRGKRZSA-N 243.350 4.203 30 40 BIEB Clc1ccccc1/C=N\C1CCCCC1 104153299 QYYSYTFBGDYCRM-GDNBJRDFSA-N 221.731 4.092 30 40 BIEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CC2 2272429 JWULRVFCBKPMGC-UHFFFAOYSA-N 232.367 4.294 30 40 BIEB C=C(C)C[C@](C)(O)c1cccc2ccccc12 1555371 VHDAXCRMYAKEGB-INIZCTEOSA-N 226.319 4.014 30 40 BIEB Cc1cccc(/N=C/c2ccccc2)c1C 2165742 PCWRTXYUOHUXQG-LFIBNONCSA-N 209.292 4.054 30 40 BIEB C[C@H](C=O)c1ccc(C2CCCCC2)cc1 36159468 VANPJWVJSWGRLV-GFCCVEGCSA-N 216.324 4.037 30 40 BIEB CCc1ccc(/N=C/c2ccccc2OC)cc1 498759 JBAMKLHLYCIRLO-SFQUDFHCSA-N 239.318 4.008 30 40 BIEB CCCCCCCCCC[C@H](C)C(=O)O 2510020 ONEKODVPFBOORO-LBPRGKRZSA-N 214.349 4.238 30 40 BIEB biogenic C=CCc1c(C)nc2c(C)cccc2c1Cl 366159 ZLSKCQUMMFBSQH-UHFFFAOYSA-N 231.726 4.234 30 40 BIEB N#Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1 70168560 AJNPYPSQCNHRGG-UHFFFAOYSA-N 247.656 4.143 30 40 BIEB in-vitro CCc1ccccc1N/C=C1\CCCCCC1=O 6247274 RDPCIBWXTKRPTF-WYMLVPIESA-N 243.350 4.078 30 40 BIEB C=CC[C@H](N[C@@H](C)c1ccco1)c1ccccc1 355898 KWKSNHQEOUOGQF-ZFWWWQNUSA-N 241.334 4.248 30 40 BIEB CCCCCCCNCc1ccc(C)cc1 100027168 RDMOZWNRZMHRTK-UHFFFAOYSA-N 219.372 4.055 30 40 BIEB CC(=O)C1=C(C)[C@H]2C[C@]3(C)C[C@H](C3(C)C)[C@]2(C)C1 104322281 JWDJXTIVABYRID-MUIFIZLQSA-N 246.394 4.374 30 40 BIEB CCCCCCCCCC[C@H]1CCC(=O)O1 104347702 AGNLJNRENXLLQO-ZDUSSCGKSA-N 226.360 4.223 30 40 BIEB CCCCCCC(=O)/C=C\c1ccc(OC)cc1 17119952 ROONRUUQJRGHNB-FLIBITNWSA-N 246.350 4.248 30 40 BIEB CCCC[C@@H](CC)C/N=C(C)/C=C(/C)O 104357589 SHZLQULYEIQKPC-IUGMDFKCSA-N 211.349 4.126 30 40 BIEB Cc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 110059836 MXFORECHDSBCAL-LICLKQGHSA-N 239.318 4.068 30 40 BIEB CCCCCCCCC/C(=N\O)c1ccccn1 100400721 BQLQVZJEOAXVOR-BMRADRMJSA-N 248.370 4.401 30 40 BIEB Cc1cc(C)c(/C=N/c2ccccc2C#N)c(C)c1 96237 DCIPIYSIMSXADJ-YBFXNURJSA-N 248.329 4.234 30 40 BIEB S[C@@H](c1ccccc1)c1ccc(Cl)cc1 19803965 APNLWZAGWZJNMY-ZDUSSCGKSA-N 234.751 4.359 30 40 BIEB CCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 98210403 LGAFWMLLIBBCRX-SNAWJCMRSA-N 238.146 4.176 30 40 BIEB C[C@@H]1CCC/C(=C/Nc2ccc(Cl)cc2)C1=O 409176402 MMZGLWGRGZKLDV-QLWWJYNRSA-N 249.741 4.025 30 40 BIEB C=C(C)[C@@H]1CC[C@](C)(C#N)O[C@H]1c1ccccc1 518587 DVQNXGZOKQJBCC-HRCADAONSA-N 241.334 4.013 30 40 BIEB biogenic O=C(/C=C\c1cccs1)/C=C/c1cccs1 33290906 IWLDEULFZPGROA-CGXWXWIYSA-N 246.356 4.105 30 40 BIEB CCCCCC#Cc1ccc(Cl)c(F)c1 95726963 GLHCVXPNBOQGKR-UHFFFAOYSA-N 224.706 4.411 30 40 BIEB O=C(/C=C\c1ccccc1Cl)c1ccccc1 4726186 IGSYOTSSTZUGIA-KHPPLWFESA-N 242.705 4.236 30 40 BIEB CC(C)=C1CC[C@H](C)/C(=C/c2ccccc2)C1=O 17952838 JWNCZXHFZOKMGP-RERGGYADSA-N 240.346 4.405 30 40 BIEB C=CC[C@H]1NC2(CCCCC2)Cc2ccccc21 1322312 AFQURPGOEXHEKR-MRXNPFEDSA-N 241.378 4.152 30 40 BIEB biogenic Cc1cc(-c2ccc(C#N)cc2)nc2ccccc12 15590167 ZCJQMBKGIHDBHB-UHFFFAOYSA-N 244.297 4.082 30 40 BIEB Cc1c(Cl)cccc1/N=C\c1cccc(O)c1 409200028 FOAAAZZOAQLVHB-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB C=CC[C@@H](N[C@H](C)c1ccco1)c1ccccc1 355904 KWKSNHQEOUOGQF-UKRRQHHQSA-N 241.334 4.248 30 40 BIEB CCCCCCCCC(=O)c1ccccn1 100071107 MBWBQWMBPVFJCV-UHFFFAOYSA-N 219.328 4.015 30 40 BIEB C/C=C/C(=O)c1ccc(-c2ccccc2)cc1 95916060 OSYRURSUPUAPCQ-QHHAFSJGSA-N 222.287 4.112 30 40 BIEB C=C[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 100003436 JHXJAWXZLWDDED-XBXGTLAGSA-N 211.308 4.018 30 40 BIEB CC(C)Cn1c(C#N)ccc1CC1CCCCC1 226023784 OASRFPKTDUIMSN-UHFFFAOYSA-N 244.382 4.139 30 40 BIEB Cc1ccc(C#CC(C)(C)Cl)cc1Cl 95631635 YDXVELCPEWZNGS-UHFFFAOYSA-N 227.134 4.017 30 40 BIEB COc1ccc(/N=C\C=C/c2ccccc2)cc1 104138493 MBPYUPPKESSJGW-FDECCZIWSA-N 237.302 4.111 30 40 BIEB C[C@H](S)c1ccc(-c2ccccc2)cc1 20476569 ZPJMLVLSSWHNFE-NSHDSACASA-N 214.333 4.344 30 40 BIEB COc1ccc(/C=N/c2cccc(C)c2C)cc1 4773127 OBOUUSMEASZBJI-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB Cc1ccc(Cl)cc1C#CC(C)(C)Cl 95631736 UVELIRITZLAKNB-UHFFFAOYSA-N 227.134 4.017 30 40 BIEB CCCCCC#Cc1cc(C)cc(F)c1 95726901 PPYNPGPJCMEKCC-UHFFFAOYSA-N 204.288 4.066 30 40 BIEB Cc1ccc(/N=C\c2cc(C)n(C)c2C)c(C)c1 408782325 HLISUZXFBPGVHP-YVLHZVERSA-N 240.350 4.009 30 40 BIEB CC(C)=C1CC[C@H](C)C(=Cc2ccccc2)C1=O 2049241033 JWNCZXHFZOKMGP-ZDUSSCGKSA-N 240.346 4.405 30 40 BIEB Cc1c(Cl)cccc1C#CC(C)(C)Cl 95631584 NYMWATAHXNZUKY-UHFFFAOYSA-N 227.134 4.017 30 40 BIEB Cc1cc(/N=C/c2ccccc2F)ccc1F 100106899 GNOLDFXGVKRWGR-RQZCQDPDSA-N 231.245 4.024 30 40 BIEB CCCCCCC#Cc1cc(F)ccc1C 101734005 DEGDFKMHGSZGSX-UHFFFAOYSA-N 218.315 4.456 30 40 BIEB CSC1=C(c2ccccc2)/C(=N\CC(C)C)C1 5613820 NUPDAVAUWNUYGZ-SSZFMOIBSA-N 245.391 4.261 30 40 BIEB COc1ccc(/N=C\c2ccc(Cl)cc2)cc1 96835911 LTTLSCCNSQUJKZ-YBEGLDIGSA-N 245.709 4.099 30 40 BIEB C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12 4434665 ZVZCYSQBQLWXCC-HRCADAONSA-N 241.378 4.179 30 40 BIEB CCCCCCCCCC[C@@H]1C[C@@H]1C(=O)O 97995860 IPYXSVSAXULIAH-OLZOCXBDSA-N 226.360 4.238 30 40 BIEB CCCCCCCC[P@@H](=O)c1ccccc1 100034451 PFDBMSJWGGGUTA-UHFFFAOYSA-N 238.311 4.232 30 40 BIEB C=C(Br)CCCc1ccc(C)cc1 85650663 WCLKVAFPVSVWBQ-UHFFFAOYSA-N 239.156 4.226 30 40 BIEB O=C(/C=C/c1cccs1)c1cccc(Cl)c1 7743187 UFQNOVXSPXDMPW-VOTSOKGWSA-N 248.734 4.298 30 40 BIEB CC(/C=C\c1ccccc1)=N\c1ccccc1 16979041 SWZIFMPZYZSWMD-XGTYQIHLSA-N 221.303 4.492 30 40 BIEB [N-]=[N+]=Nc1ccccc1Oc1ccccc1 16957786 VBSAZUXBXQTEJZ-UHFFFAOYSA-N 211.224 4.421 30 40 BIEB CCCCCCCNCc1ccccc1OCC 100027271 HMOYTDMNLKRXBV-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB C/C(=N/[C@H](C)CC(C)C)c1ccc(C)cc1 104361639 PUTQGQUNMQJNFX-XUVDNFPMSA-N 217.356 4.239 30 40 BIEB Cc1ccc([C@H](S)c2ccccc2)c(C)c1 20476642 NEDZIBWFJYMGEL-OAHLLOKOSA-N 228.360 4.323 30 40 BIEB C[C@@H](C=O)c1ccc(C2CCCCC2)cc1 36159464 VANPJWVJSWGRLV-LBPRGKRZSA-N 216.324 4.037 30 40 BIEB C=CCCCCCCCCCOC(=O)C(C)C 1685806 LMPNNKURYJRMQR-UHFFFAOYSA-N 240.387 4.492 30 40 BIEB C=C(C)[C@H]1CC[C@@H](C)O[C@H]1c1ccccc1 3881682 XIOOYALQQNYIFZ-YUELXQCFSA-N 216.324 4.119 30 40 BIEB Cc1ccc(C#Cc2ccc(Cl)c(C)c2)cc1 95631690 UHXWFLMGIBAOHV-UHFFFAOYSA-N 240.733 4.357 30 40 BIEB CCc1ccc(N=Cc2ccc(OC)cc2)cc1 256207004 YXRHVFQIDOTKKJ-UHFFFAOYSA-N 239.318 4.008 30 40 BIEB CC(C)Oc1ccc(-c2ccc(C#N)cc2)cc1 33466058 FOSPZRANHBQJPJ-UHFFFAOYSA-N 237.302 4.012 30 40 BIEB CCCCCCCCCC1O[C@@H](C)[C@@H](C)O1 1874383 VPTWFAIWRQIKBB-PBWFPOADSA-N 228.376 4.277 30 40 BIEB Fc1cccc(/N=C/c2ccc(Cl)s2)c1 408966757 NYVDKKWRFAQDPZ-VGOFMYFVSA-N 239.702 4.291 30 40 BIEB CCCCCCCNCc1ccc(C)s1 97941733 KPQGAWVBEGAHQG-UHFFFAOYSA-N 225.401 4.117 30 40 BIEB CCCC[C@H](CC)C(=O)c1ccc(C#N)c(F)c1 575361992 ZGALLLGNFBUTMR-NSHDSACASA-N 247.313 4.096 30 40 BIEB CC1=C(CC[C@H](C)C=O)C(C)(C)CCC1 2569379 MXNVWZZDDFIWHW-NSHDSACASA-N 208.345 4.128 30 40 BIEB CCCC[C@H](CC)C[C@H](CC)COC[C@@H]1CO1 72422472 DNYHBENUJOKOEB-SOUVJXGZSA-N 242.403 4.035 30 40 BIEB C=C(Cl)Cc1ccc(Cl)c(Cl)c1 71795244 ROWNNEXHKDHFHE-UHFFFAOYSA-N 221.514 4.288 30 40 BIEB C[C@@H](S)c1cc(F)c(Cl)cc1Cl 37735180 SVMHGEDCHQFVEQ-SCSAIBSYSA-N 225.115 4.123 30 40 BIEB Cc1ccc(Cl)cc1C#Cc1ccccc1 95631720 JXDJMEQCQKSEDJ-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB O=C(/C=C/c1ccccc1)Sc1ccccc1 1732673 XSLKASMCZXXRNL-VAWYXSNFSA-N 240.327 4.019 30 40 BIEB C=C(Cl)Cc1ccc(Cl)cc1Cl 71795114 YGRGDPHCZGUJJC-UHFFFAOYSA-N 221.514 4.288 30 40 BIEB CCCCCCC#Cc1cc(C)cc(F)c1 101733812 GHFROHCABHXCRE-UHFFFAOYSA-N 218.315 4.456 30 40 BIEB CCCCCCN(CCS)CCCCCC 5259952 HLNONIHRAPGNGD-UHFFFAOYSA-N 245.476 4.379 30 40 BIEB Cc1c(Cl)cccc1/N=C/c1ccccc1 34575087 WAUDMLMIYUPZSY-MHWRWJLKSA-N 229.710 4.399 30 40 BIEB ClC(Cl)=Nc1ccc(Cl)cc1Cl 1568397 DXSAVHVNRZIEGB-UHFFFAOYSA-N 242.920 4.459 30 40 BIEB Cc1ccc(/C=C/C(=O)c2cccs2)s1 57437734 JHSQLRBJNMVJIH-VOTSOKGWSA-N 234.345 4.014 30 40 BIEB C[C@@H](CC(=O)c1ccc(C#N)cc1)CC(C)(C)C 575361944 SORKHWPNMUYZSK-LBPRGKRZSA-N 243.350 4.203 30 40 BIEB CCc1ccc(/C=C/C(=O)c2cccs2)cc1 32100599 KYNSWQALWPNSIZ-MDZDMXLPSA-N 242.343 4.207 30 40 BIEB Cc1ccccc1C(=O)/C=C/c1ccccc1F 57903864 ZBBYWLKEYQRQEL-ZHACJKMWSA-N 240.277 4.030 30 40 BIEB Cc1cccc(C(=O)/C=C/c2ccc(C)s2)c1 71793426 GLJLGNFCDYRPLK-CMDGGOBGSA-N 242.343 4.261 30 40 BIEB CCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C 1615178 ZFUKUODGBHPRJR-ZIAGYGMSSA-N 240.387 4.469 30 40 BIEB C=CCCc1c(Cl)cccc1Cl 71795261 ZRBPFCPGZWEQLV-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB Cc1cc(C)cc(/N=C\c2ccccc2)c1 104110670 SUEYDGAIGNZTNZ-WJDWOHSUSA-N 209.292 4.054 30 40 BIEB C=C(C)CCC[C@@H](C)CCN(N)c1ccccc1 3845684 VTVQLGZRIZUCOQ-OAHLLOKOSA-N 246.398 4.139 30 40 BIEB biogenic C[C@@H]1CC2=C(C[C@H]1C#N)C(C)(C)CCC2 5355354 CFLOREYDOPFXTC-PWSUYJOCSA-N 203.329 4.063 30 40 BIEB O/N=C1\CCC=CCC[C@@H]1Sc1ccccc1 18114770 DECRDLWQPHEENP-YUMZSAIASA-N 247.363 4.108 30 40 BIEB CCCCCCCCCC[C@@H](C)C(=O)O 86050520 ONEKODVPFBOORO-GFCCVEGCSA-N 214.349 4.238 30 40 BIEB C=CCSc1ccc(CC(C)C)cc1 95738580 VUQZWXBFDXHBAX-UHFFFAOYSA-N 206.354 4.163 30 40 BIEB C=CCCC(=O)c1cc(Cl)ccc1Cl 168406453 LKLBAISOTJCIPG-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB CCCCCCC#Cc1ccc(N(C)C)cc1 101734847 PYRNZFJDORGOOV-UHFFFAOYSA-N 229.367 4.075 30 40 BIEB CC1(C(=O)/C=C/c2ccccc2)CCCCC1 1031212 MDVOBDPUDIVEKT-ZHACJKMWSA-N 228.335 4.239 30 40 BIEB C=CC(C)(C)c1ccc(O)c(CC=C(C)C)c1 1576574 VOZHPGWGKPWOGA-UHFFFAOYSA-N 230.351 4.365 30 40 BIEB biogenic C=C(Br)CCc1cc(C)cc(C)c1 71795122 PWJNUIMJMNYNAF-UHFFFAOYSA-N 239.156 4.145 30 40 BIEB Cc1ccc(C#Cc2cc(C)c(C)cc2C)cc1 95633882 HLIZWAOJXHZBOH-UHFFFAOYSA-N 234.342 4.320 30 40 BIEB FC(F)(F)c1cccc(/N=C/c2ccccc2)c1 100255926 IEYMEGFOTMMUIJ-VCHYOVAHSA-N 249.235 4.456 30 40 BIEB CCCCCCCCCC[C@@H](O)CC 2015862 LBSIDDOMEWFXBT-ZDUSSCGKSA-N 200.366 4.288 30 40 BIEB C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 34360982 OWZSHJKGKHTKDS-CZUORRHYSA-N 248.366 4.022 30 40 BIEB biogenic C=C(Cl)CCc1ccc(SCC)cc1 953019862 VLSOEMCLNNHHMA-UHFFFAOYSA-N 226.772 4.484 30 40 BIEB Cc1ccc(/N=C/c2ccccc2C)cc1C 5548972 OJOAEFXLJYTSDQ-GZTJUZNOSA-N 223.319 4.362 30 40 BIEB CC(/C=C\c1ccccc1)=N/c1ccccc1 104138573 SWZIFMPZYZSWMD-WVPYDLLPSA-N 221.303 4.492 30 40 BIEB CC(=NO)c1ccc2c(c1)C(C)(C)CCC2(C)C 253676554 GTSIYLVKCYDJHQ-UHFFFAOYSA-N 245.366 4.234 30 40 BIEB O=C1CCCC/C1=C/c1cccc2ccccc12 1323783 NSBIZUGSCWTKET-QINSGFPZSA-N 236.314 4.366 30 40 BIEB Cc1ccc([C@H](C#N)C2CCCCC2)cc1 34305362 LPGDMHZKVSCFBC-OAHLLOKOSA-N 213.324 4.183 30 40 BIEB in-vitro C=CC[C@@H](Nc1ccc(F)cc1)c1ccco1 209364 QXJBXCWTBGFLLW-CYBMUJFWSA-N 231.270 4.148 30 40 BIEB C=C(C)Cc1cc(Cl)ccc1Cl 71795256 NPMWGXYHNXDHJU-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB C=CCc1cc(C)ccc1OCCCCC 95732226 VMFPZVSXMPDDFJ-UHFFFAOYSA-N 218.340 4.293 30 40 BIEB C/C=C/C=C\COC(=O)CCCCCCCC 104158410 HWNWEONGYFTLME-HOGPSILUSA-N 238.371 4.413 30 40 BIEB O=C(/C=C/c1ccco1)c1cccc2ccccc12 4276696 FJJLGOOMXSGOBD-ZHACJKMWSA-N 248.281 4.329 30 40 BIEB Cc1ccc(/C=N/c2cccc(C)c2)cc1 5543245 CQHNIQJXSLOTGV-LFIBNONCSA-N 209.292 4.054 30 40 BIEB O=C(/C=C/c1ccccc1)C1(c2ccccc2)CC1 1673873 RLLKIPCJBXVQCR-VAWYXSNFSA-N 248.325 4.001 30 40 BIEB N#CCCCCSC12CC3CC(CC(C3)C1)C2 1733128 FNRYLSBKNWQYRG-UHFFFAOYSA-N 249.423 4.382 30 40 BIEB C=C[C@@H]1O[C@H]2CCCC[C@H]2C2=C1CCCC2 4026381 HRELBTTXSJQRTI-KKUMJFAQSA-N 218.340 4.001 30 40 BIEB biogenic CCCCCCCCCC[C@@H]1CCC(=O)O1 104347698 AGNLJNRENXLLQO-CYBMUJFWSA-N 226.360 4.223 30 40 BIEB CCOc1ccc(/N=C/c2cccc(C)c2)cc1 65883 OYKSYWWIWMNCPE-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB C=C(C)[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 4026808 SAWJHMOBEQAZRA-LVQVYYBASA-N 232.367 4.247 30 40 BIEB biogenic CCCCCCCCC[C@H]1OCC[C@@H](C)O1 1874378 DRHWPDCYULTYSA-KGLIPLIRSA-N 228.376 4.279 30 40 BIEB O=C1/C(=C\c2ccccc2)CCCc2ccccc21 1046403 HXWPCHWOKIESFJ-SSZFMOIBSA-N 248.325 4.289 30 40 BIEB CCCC#Cc1ccc(CCCC)cc1 95633276 SIBBOQGIAYZTAG-UHFFFAOYSA-N 200.325 4.181 30 40 BIEB CCCCCCCn1c(C)nc2ccccc21 2695406 MVCXFTQNAQYPLH-UHFFFAOYSA-N 230.355 4.315 30 40 BIEB CCCCCCCCC(=O)N1CCCC[C@H]1C 104156451 PBBFVPWFQGLWRW-CQSZACIVSA-N 239.403 4.138 30 40 BIEB C[C@@H](c1ccccc1)[C@](C)(C#N)c1ccccc1 1555258 HDPZSJBJWNFNGV-YOEHRIQHSA-N 235.330 4.272 30 40 BIEB C=C1C[C@H](C)O[C@H]([C@@H]2CC=C(C)C[C@@H]2C)C1 2332500 UKORLSVQLXXHOC-XQLPTFJDSA-N 220.356 4.103 30 40 BIEB C=CCc1cc(Cl)ccc1OCCC(C)C 95739671 DESWWOAFXUFZKQ-UHFFFAOYSA-N 238.758 4.493 30 40 BIEB C=C1[C@@H]2CCC(C)(C)[C@H]1CC[C@]2(C)OCC 5861453 LUNAXRIJWWBQTE-YDHLFZDLSA-N 222.372 4.184 30 40 BIEB C=C(Br)CCCc1cccc(C)c1 85650659 TWCJUCJXMRAQEN-UHFFFAOYSA-N 239.156 4.226 30 40 BIEB O=C1C=C(c2cccc(-c3ccccc3)c2)CCC1 1676432 ZZTZGXFCFPBVAS-UHFFFAOYSA-N 248.325 4.490 30 40 BIEB CCON=C1C(C)(C)C(C)(C)C(C)(C)C1(C)C 1725102 VQUHKHQUXGLZPJ-UHFFFAOYSA-N 239.403 4.497 30 40 BIEB in-vitro CCCCCCC[C@@H](O)c1ccccc1 2566672 MNBCPXKENXMEEJ-CQSZACIVSA-N 206.329 4.081 30 40 BIEB CCCOc1cccc(/C=N\c2ccccc2)c1 409219440 QOIINRUOVSHPQF-LGMDPLHJSA-N 239.318 4.226 30 40 BIEB C1#CCCCCCCC#CCCCCC1 91356267 LLYOCFZRCOXMHY-UHFFFAOYSA-N 202.341 4.298 30 40 BIEB N#CCCCCCCC(=O)c1cccc(Cl)c1 2392814 DALIDCNFUSVLHI-UHFFFAOYSA-N 249.741 4.387 30 40 BIEB Clc1ccc(N=C2CCCCC2)cc1 4428570 UPVOINJYKFQHCI-UHFFFAOYSA-N 207.704 4.377 30 40 BIEB CCCCCCCOc1c(N)cccc1Cl 100473604 OETMXPUKGTUKOD-UHFFFAOYSA-N 241.762 4.271 30 40 BIEB Cc1ccc(C#Cc2cccc(Cl)c2C)cc1 95631589 UFGAKSAVSQJJMN-UHFFFAOYSA-N 240.733 4.357 30 40 BIEB CCCCCCCCNCc1ccccc1OC 100048941 YZEIZGGIRVRCKX-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB C=C(C)[C@@H]1CC[C@](C)(C#N)O[C@@H]1c1ccccc1 4026044 DVQNXGZOKQJBCC-ARFHVFGLSA-N 241.334 4.013 30 40 BIEB biogenic Cc1cc(C(=O)/C=C/c2ccccc2)ccc1F 33468931 AQYLVUWYPYQPDK-JXMROGBWSA-N 240.277 4.030 30 40 BIEB Cc1cccc(/N=C/c2ccccc2C)c1 5547900 QHRYBIUNRGNQAA-LFIBNONCSA-N 209.292 4.054 30 40 BIEB CC(=O)/C1=C/CCCCCCCCCC1 5225722 MLCBOXBUBJRZHC-SDNWHVSQSA-N 208.345 4.416 30 40 BIEB C=C(C)CCCc1cccc(Br)c1 952961496 PCCFIIQOBHRAAM-UHFFFAOYSA-N 239.156 4.348 30 40 BIEB CCCCCCCC(=O)O[C@@H]1CCCC[C@@H]1C 1615180 ZFUKUODGBHPRJR-UONOGXRCSA-N 240.387 4.469 30 40 BIEB C=CCc1cc(Cl)ccc1OCC(C)C 95739672 NLSYCLJJECZEDC-UHFFFAOYSA-N 224.731 4.103 30 40 BIEB CCCCCCCNCc1ccc(OCC)cc1 100027261 OALDPFMOBPSUDL-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB CC(C)C[C@@](C)(C#N)/N=N\[C@](C)(C#N)CC(C)C 100005000 WYGWHHGCAGTUCH-IKZORZIJSA-N 248.374 4.095 30 40 BIEB Clc1ccc(C#Cc2ccc(Cl)cc2)cc1 1708714 QFRLNLXZHMUYHO-UHFFFAOYSA-N 247.124 4.393 30 40 BIEB N#Cc1ccc(Oc2ccccc2)cc1Cl 35803735 NMMVGEFFGBBAHY-UHFFFAOYSA-N 229.666 4.004 30 40 BIEB CC(C)C(=O)/C=C\c1ccc(Cl)cc1Cl 17254202 WNKJKMDXSFFUMM-XQRVVYSFSA-N 243.133 4.232 30 40 BIEB CCCCCCCCCCCCOC=O 85659563 WPSGFSPBRBRLIQ-UHFFFAOYSA-N 214.349 4.080 30 40 BIEB C=C(Br)Cc1cccc(Cl)c1C 95731201 WIIRYKWNUJHDBY-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB N#CCc1ccccc1-c1ccc(Cl)cc1 100956537 PKVLIJUWYYLDSV-UHFFFAOYSA-N 227.694 4.073 30 40 BIEB N#Cc1ccc(Oc2ccc(Cl)cc2)c(F)c1 36886847 SAVHBKZESJHQDD-UHFFFAOYSA-N 247.656 4.143 30 40 BIEB in-vitro CCCCCC#Cc1ccc(C)cc1C 95726972 VHWOHTBFQFZTOT-UHFFFAOYSA-N 200.325 4.235 30 40 BIEB CC(=O)/C(C)=C/C1=C(C)CCCC1(C)C 8622375 NSSHGPBKKVJJMM-PKNBQFBNSA-N 206.329 4.048 30 40 BIEB endogenous,in-man Cc1ccc(C#Cc2ccc(C)cc2C)cc1 95633525 ZUTGLHVVDHKLPC-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB O=C(/C=C\c1ccccc1)c1ccccc1Cl 33378691 UBJIPXGNVJWNJZ-KHPPLWFESA-N 242.705 4.236 30 40 BIEB C=C(Cl)Cc1ccc(C(F)(F)F)cc1 71795146 QKAIMDSOJXHXPT-UHFFFAOYSA-N 220.621 4.000 30 40 BIEB C#Cc1ccc(CCCCCCC)cc1 2555804 CFWOIXKFXVUJPA-UHFFFAOYSA-N 200.325 4.181 30 40 BIEB Cc1ccc(Cl)cc1C#CCC(C)C 95631757 SNPYUPCTFPYMFT-UHFFFAOYSA-N 206.716 4.046 30 40 BIEB C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 5351649 JJQCWPWUHZFKBN-UHFFFAOYSA-N 218.340 4.070 30 40 BIEB COc1ccc(/N=C/C=C\c2ccccc2)cc1 16978892 MBPYUPPKESSJGW-KERZFVRCSA-N 237.302 4.111 30 40 BIEB N#CCc1cc2ccccc2c2ccccc12 33506809 GTKRDFZLWHSCFW-UHFFFAOYSA-N 217.271 4.059 30 40 BIEB CCCCc1cc(C#N)c(C#N)cc1CCCC 39370167 XKIZBKBLXICVQB-UHFFFAOYSA-N 240.350 4.115 30 40 BIEB CCCCCCCCC[C@@H](O)CCC 73158327 VHNLHPIEIIHMHH-ZDUSSCGKSA-N 200.366 4.288 30 40 BIEB CCC/C=C/CCCB1OC(C)(C)C(C)(C)O1 256165286 XMSJTVKALWIDDJ-CMDGGOBGSA-N 238.180 4.215 30 40 BIEB O=C(/C=C\C=C/c1ccccc1)c1ccccc1 31335199 QONKLJMPKWQQFG-DJNBAJBSSA-N 234.298 4.139 30 40 BIEB C=C(Br)Cc1ccc(Cl)c(C)c1 63457943 TUSNQPVRYWLEII-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB C=C(Br)Cc1cc(C)c(C)cc1C 71795202 QPQIXEPNVOCCSH-UHFFFAOYSA-N 239.156 4.063 30 40 BIEB C=CCc1ccc(OCc2ccccc2)cc1C 43505083 HJTDEVHGTMXHOO-UHFFFAOYSA-N 238.330 4.303 30 40 BIEB CCCCCCCCOC(=O)C(CC)CC 1570918 CMEOCEDLTVZOBX-UHFFFAOYSA-N 228.376 4.326 30 40 BIEB Cc1ccc(/C=C/C(=O)c2cccs2)c(C)c1 4713443 URDCDPIZGYJTSI-BQYQJAHWSA-N 242.343 4.261 30 40 BIEB C=C(C)Cc1cc(Cl)cc(Cl)c1 71795242 LANJXFKTRGBTNQ-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CCCCCCC#Cc1cc(F)cc(F)c1 101733350 HYQKLLCZGRNXPQ-UHFFFAOYSA-N 222.278 4.287 30 40 BIEB C/C=C\C=C/COC(=O)CCCCCCCC 104158402 HWNWEONGYFTLME-HHZHQPEGSA-N 238.371 4.413 30 40 BIEB C=CCCCCCCCC[C@H]1OC[C@H](C)O1 1590118 OECSCWLUGVWEPK-KBPBESRZSA-N 226.360 4.055 30 40 BIEB CCCCCCCCCCC(C)(C)C(N)=O 3033138 OHQIZJDDHUJWRP-UHFFFAOYSA-N 227.392 4.029 30 40 BIEB CCCCCCCCCCCC(=O)NCC 108782577 FEQGPEABBFYLNO-UHFFFAOYSA-N 227.392 4.043 30 40 BIEB C=C(Br)Cc1ccc(C(C)C)cc1 71795084 IKNDMRNPWPLZPY-UHFFFAOYSA-N 239.156 4.261 30 40 BIEB C=C(Cl)CCc1ccc(Cl)c(C)c1 757160647 SBPIMJGZFWAGSB-UHFFFAOYSA-N 215.123 4.334 30 40 BIEB Clc1ccc(/N=C/c2ccccc2)cc1 100359650 NWCAQYVAHZWHIO-XNTDXEJSSA-N 215.683 4.091 30 40 BIEB CCCCC/N=C(C)\C(C)=N/CCCCC 104260564 RUKFKECDGCTUST-VMNXYWKNSA-N 224.392 4.289 30 40 BIEB Cc1cccc(C(=O)/C=C/c2ccccc2)c1C 575358297 QLANBFLRJVEJGK-VAWYXSNFSA-N 236.314 4.200 30 40 BIEB CCCC#Cc1cc(Cl)cc(Cl)c1 95632913 UWBGBUFWHGMNSL-UHFFFAOYSA-N 213.107 4.145 30 40 BIEB O=C1C=C2CCCCCCCC[C@H](C1)C2 5518948 VTZGFSLZXJCXRQ-ZDUSSCGKSA-N 206.329 4.026 30 40 BIEB N#Cc1c(-c2ccccc2)ssc1=S 1610851 DHNSDOBUDSHQPU-UHFFFAOYSA-N 235.358 4.078 30 40 BIEB CCCCCCCCCN1CCCCC1 1651969 BUCRDENKHNZGFA-UHFFFAOYSA-N 211.393 4.223 30 40 BIEB O=C1CCCC(c2ccccc2)=C1c1ccccc1 4264990 FCBZHRYVTZBHKD-UHFFFAOYSA-N 248.325 4.350 30 40 BIEB biogenic CCCCCCCCCCC[C@H](C)O 2039357 HKOLRKVMHVYNGG-ZDUSSCGKSA-N 200.366 4.288 30 40 BIEB biogenic C=C[C@H](c1ccccc1)c1c(C)cc(C)cc1O 1562047 WIISNXCBNUTEEQ-OAHLLOKOSA-N 238.330 4.327 30 40 BIEB CC(/C=C\c1ccccc1)=N/Nc1ccccc1 17106694 ZIKCEPRFGILSQT-WVPYDLLPSA-N 236.318 4.188 30 40 BIEB CC(C)C[C@@H](C)/N=C1\C=CCC[C@@H]1C(C)C 17783985 JVGWTFUPNVXLGT-LPPHJRPXSA-N 221.388 4.484 30 40 BIEB CCCCCCCCCC[C@H]1OC[C@@H](C)O1 1595731 ZOJCTKZSRSUPTO-KGLIPLIRSA-N 228.376 4.279 30 40 BIEB endogenous,in-man CS/C(=N/c1ccccc1)Nc1ccccc1 3072237 KZXMKHQCJVVAQG-UHFFFAOYSA-N 242.347 4.149 30 40 BIEB C=CCc1ccc(OCC(C)C)c(Cl)c1 95732238 FCZABPACVSVZGW-UHFFFAOYSA-N 224.731 4.103 30 40 BIEB CC(C)=CCCC1=CC[C@@H](/C(C)=N\O)CC1 518159 XQJQANVTFLIWRG-QAALXFNPSA-N 221.344 4.309 30 40 BIEB CC(C)=CCC[C@@H](C)CCC[C@H](C)C=O 1712095 UEGBWDUVDAKUGA-KGLIPLIRSA-N 210.361 4.374 30 40 BIEB C=C(C)Cc1ccc(OCCCCC)cc1 43502542 DYBHWGJAISTVPA-UHFFFAOYSA-N 218.340 4.374 30 40 BIEB Cc1ccc(C)c([C@@H](S)c2ccccc2)c1 20476559 CXFIOHCROFEUPN-HNNXBMFYSA-N 228.360 4.323 30 40 BIEB CCCCC#CC#CCCCCCCCN(C)C 5457334 DTZKWSJQLMCQHE-UHFFFAOYSA-N 247.426 4.086 30 40 BIEB C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccccc1 3881684 XIOOYALQQNYIFZ-SNPRPXQTSA-N 216.324 4.119 30 40 BIEB biogenic Cc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 12368785 PVROLXTXTZFNQT-VBKFSLOCSA-N 248.325 4.208 30 40 BIEB CC(C)=CCC[C@]1(C)C=CC2=C(CCCC2=O)O1 26897568 KVABLNSGPPDNJB-MRXNPFEDSA-N 246.350 4.085 30 40 BIEB CCCCCCCCN1CCCCCC1 59663554 BOEAMDHTCRYVRX-UHFFFAOYSA-N 211.393 4.223 30 40 BIEB CC(C)CC#Cc1cc(Cl)cc(Cl)c1 95632934 ZKVFZHMMSWUKNK-UHFFFAOYSA-N 227.134 4.391 30 40 BIEB Cc1c(Cl)cccc1/N=C/c1ccccc1O 100003821 VBDFQHGTRKWGLZ-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB CCCCCCCCCC[C@@H]1C[C@H]1C(=O)O 97995862 IPYXSVSAXULIAH-CHWSQXEVSA-N 226.360 4.238 30 40 BIEB CCCCCCCC[n+]1ccc2ccccc2c1 1681190 NILAICYBMURYBA-UHFFFAOYSA-N 242.386 4.488 30 40 BIEB CCCCCCCCNC(=O)c1ccc(C)cc1 2061875 YLOQYJXWAPFPMJ-UHFFFAOYSA-N 247.382 4.085 30 40 BIEB CCCC[C@@H](CC)C/N=C(C)\C=C(/C)O 104357587 SHZLQULYEIQKPC-CSNVXDSJSA-N 211.349 4.126 30 40 BIEB C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1c1ccccc1 12656091 XIOOYALQQNYIFZ-AEGPPILISA-N 216.324 4.119 30 40 BIEB biogenic C=C(C)C1(Cl)[C@@H]2CC[C@@H]1c1ccccc12 101049891 UEYYYGADSBJPDY-CHWSQXEVSA-N 218.727 4.215 30 40 BIEB C=CCc1cc(F)c(F)c(OCCCCC)c1 95732141 VYZZVPDSUWOCNK-UHFFFAOYSA-N 240.293 4.262 30 40 BIEB C=CCCC(=O)c1ccc(CC(C)C)cc1 201446970 YBWGXQAZPMVZME-UHFFFAOYSA-N 216.324 4.034 30 40 BIEB C=CC[C@@H](NCc1ccccc1)c1ccccc1 2484592 LRPZBHSJWXDRER-QGZVFWFLSA-N 237.346 4.094 30 40 BIEB CC(C)[C@H]1CC[C@H](C)c2cc(C#N)c(=S)[nH]c21 6824514 FIWCLPAJSTVJDF-GXSJLCMTSA-N 246.379 4.253 30 40 BIEB C=CCCC(=O)c1c(C)c(C)c(C)c(C)c1C 575358609 IRQLKEQSJWFAEC-UHFFFAOYSA-N 230.351 4.378 30 40 BIEB N#Cc1c(Cl)cccc1Oc1ccccc1 139673 XQEBKWUAXCHXRY-UHFFFAOYSA-N 229.666 4.004 30 40 BIEB C=C(C)C[C@@](C)(O)c1cccc2ccccc12 2043319 VHDAXCRMYAKEGB-MRXNPFEDSA-N 226.319 4.014 30 40 BIEB Cc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 4897326 PZUPPEXDDAFOBN-FLIBITNWSA-N 236.314 4.200 30 40 BIEB C=C(C)[C@H]1CC[C@](C)(C#N)O[C@@H]1c1ccccc1 4026045 DVQNXGZOKQJBCC-BZUAXINKSA-N 241.334 4.013 30 40 BIEB C=C(C)CCc1ccc(Br)c(F)c1 721968293 CKZWAYYFAHNKIY-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB N#CCCCCOc1ccc(Cl)cc1Cl 42210501 QPIZALVEHXQQHP-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB C=C(C)C(=O)c1ccc(Oc2ccccc2)cc1 71548706 PIUXJYGPTMRNJF-UHFFFAOYSA-N 238.286 4.238 30 40 BIEB C=CCCc1ccc(Cl)cc1Cl 71795113 PSLGFWJSOANONN-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB C=C(C)CCc1cccc(C(F)(F)F)c1 71795144 KHQLWCTYUZDTHV-UHFFFAOYSA-N 214.230 4.214 30 40 BIEB C=C(Cl)CCc1ccccc1Cl 2567473 PCJFUOLQVVPDMM-UHFFFAOYSA-N 201.096 4.025 30 40 BIEB CCCCCCCCCCCCNCCC#N 95698151 DKRQDOPNZFOLQD-UHFFFAOYSA-N 238.419 4.411 30 40 BIEB in-vitro CCCCCCCCCN[C@@H]1C=CCCC1 104059819 PENPLZGRPXOBEL-OAHLLOKOSA-N 223.404 4.435 30 40 BIEB Clc1ccc(S/N=C\c2ccccc2)cc1 104191001 SDABJBAALONSRJ-GDNBJRDFSA-N 247.750 4.466 30 40 BIEB C[C@H]1CC2=C(C[C@@H]1C#N)C(C)(C)CCC2 5358289 CFLOREYDOPFXTC-CMPLNLGQSA-N 203.329 4.063 30 40 BIEB N#Cc1cc(Cl)c(Cl)c(Cl)c1Cl 6091052 IDOFZVGHXAVYEZ-UHFFFAOYSA-N 240.904 4.172 30 40 BIEB O=C(/C=C\c1ccccc1)Sc1ccccc1 17021707 XSLKASMCZXXRNL-QXMHVHEDSA-N 240.327 4.019 30 40 BIEB CCCCCCCCCCn1ccnc1 43300577 PEPIOVUNFZBCIB-UHFFFAOYSA-N 208.349 4.024 30 40 BIEB in-vitro CCCCCC(/C=N\O)=C\c1ccccc1 17311741 QWDRVWBLCXTVJB-ADBGAXBCSA-N 217.312 4.110 30 40 BIEB C[C@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)C1 3258059 ODSJQBGDFWSSCU-JMZICWNOSA-N 234.726 4.113 30 40 BIEB C=C(Cl)Cc1cc(Cl)cc(Cl)c1 71795240 XTSFTVSDTKGLPX-UHFFFAOYSA-N 221.514 4.288 30 40 BIEB Cc1ccc(/N=C/c2ccc(F)cc2)c(C)c1 2147241 QPZSLRMPDKYJSH-LICLKQGHSA-N 227.282 4.193 30 40 BIEB N#CCCCCOc1cccc(Cl)c1Cl 42209008 AYAMWNHHBYVQQX-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB CCC/C=C\CCCB1OC(C)(C)C(C)(C)O1 256165293 XMSJTVKALWIDDJ-HJWRWDBZSA-N 238.180 4.215 30 40 BIEB CCCCCCCCC(=O)N(C(C)C)C(C)C 1733545 YZSFIGJUQUSYOG-UHFFFAOYSA-N 241.419 4.382 30 40 BIEB C=CCCCCCCCCC(=O)C(F)(F)F 43465287 FGCAHPYINYMPEK-UHFFFAOYSA-N 236.277 4.425 30 40 BIEB N#Cc1c(-c2ccccc2)ccc2ccccc12 1720493 LYQOCXYUTSJUGY-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB CC(=O)ON=C1CCCCCCCCCCC1 5378757 RXGNYPSMBIFZOD-UHFFFAOYSA-N 239.359 4.210 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccccc2C)cc1 33465770 RNUHORQIYZVVRW-VAWYXSNFSA-N 236.314 4.200 30 40 BIEB O=C1C(=C2CCCC2)CCC1=C1CCCC1 1075970 JGQLYIJWTIOPQK-UHFFFAOYSA-N 216.324 4.091 30 40 BIEB Cc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 17354502 DTEBZGKINVACPT-XFXZXTDPSA-N 236.314 4.200 30 40 BIEB COc1cccc(/C=N\c2cccc(C)c2C)c1 109406722 HAJUACACVQGZCA-BOPFTXTBSA-N 239.318 4.063 30 40 BIEB CCCCCCCCc1ccc([C@H](C)NN)cc1 199537392 WPUDKUQXOMMARX-AWEZNQCLSA-N 248.414 4.114 30 40 BIEB CCCCCCCOC(=O)c1cccc(C)c1 1768557 FTXBEVYVDATLGN-UHFFFAOYSA-N 234.339 4.122 30 40 BIEB C=CCc1ccc(OCCC(C)C)cc1C 95739680 NZGOWFILZLJUIR-UHFFFAOYSA-N 218.340 4.148 30 40 BIEB CC/C(=N/c1ccccc1)Nc1ccccc1 1684815 YXRYTWNSKIUMLL-UHFFFAOYSA-N 224.307 4.239 30 40 BIEB CCCC[C@@H](CC)C[C@@H](CC)COC[C@@H]1CO1 72422469 DNYHBENUJOKOEB-RBSFLKMASA-N 242.403 4.035 30 40 BIEB C=CCCC(=O)c1cccc(Cl)c1Cl 168404133 MYWPHVFZDUUDHE-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB Cc1ccc(SCc2ccc(C#N)cc2)cc1 19847571 ZFGICYIHCWGBNE-UHFFFAOYSA-N 239.343 4.159 30 40 BIEB CCCCCCCC(=O)[C@@H]1CCOC(C)(C)C1 1774988 MGFXQQFJSMMZKA-CYBMUJFWSA-N 240.387 4.121 30 40 BIEB biogenic N#CCCCCOc1cc(Cl)cc(Cl)c1 42220377 LOAWXSWCUFKNLV-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB Fc1ccc(/N=C/c2ccc(Cl)cc2)cc1 96835912 OPIWCWJBWSGFJD-CXUHLZMHSA-N 233.673 4.230 30 40 BIEB C=CCCC(=O)c1cccc(C(F)(F)F)c1C 575360716 KWAOZCSLOZLPGF-UHFFFAOYSA-N 242.240 4.163 30 40 BIEB CCCCCCCCC(=O)Nc1cccc(O)c1 1756421 QEZYRAIETCNADT-UHFFFAOYSA-N 249.354 4.081 30 40 BIEB C/C(=N\Nc1nc2ccccc2s1)C(C)(C)C 15228470 HPRVSDZPFQYXBK-OQLLNIDSSA-N 247.367 4.130 30 40 BIEB CC(C)CCC[C@@H](C)CC1=C(O)CCC1=O 100236145 PBNJJASTGCMFJN-LLVKDONJSA-N 224.344 4.014 30 40 BIEB C=C1CC[C@@H]2CO[C@@H]([C@H]3CCC=C(C)C3)[C@@H]1C2 102805185 NLMXZKLHJBQARC-JONQDZQNSA-N 232.367 4.104 30 40 BIEB C=CCCC(=O)c1cc(Cl)cc(F)c1Cl 308821150 YFMPHCOUYOCVRL-UHFFFAOYSA-N 247.096 4.281 30 40 BIEB Cc1ccc(Cl)cc1/N=C/c1ccccc1 17993315 DKRMRZNDJYUXNE-MHWRWJLKSA-N 229.710 4.399 30 40 BIEB C=CCCc1ccc(OCc2ccccc2)cc1 43505080 WZANEJBGPZQUCL-UHFFFAOYSA-N 238.330 4.384 30 40 BIEB Cc1cccc(C(=O)/C=C/c2cccc(F)c2)c1 71793420 SXJREKOTJUEPHU-CMDGGOBGSA-N 240.277 4.030 30 40 BIEB CCCN1c2ccc(C#N)cc2[C@@H](C)CC1(C)C 223774810 MNMPLOWFAZZZGT-LBPRGKRZSA-N 242.366 4.060 30 40 BIEB C=C(C)C[C@H]1Cc2ccccc2[C@@H](CC(=C)C)N1 3363269 WQSFWWQSUZOVRQ-DOTOQJQBSA-N 241.378 4.174 30 40 BIEB CCCCCCCCc1ccc(C(=O)OC)cc1 100266921 NKSKNAWLKUQLNY-UHFFFAOYSA-N 248.366 4.376 30 40 BIEB CC(C)c1ccc(N/C=C2\CCCCC2=O)cc1 104097829 FFCHJJIPABSMKB-SDNWHVSQSA-N 243.350 4.249 30 40 BIEB Cc1ccc(C)c(/N=C/c2ccccc2C)c1 5541941 QBCLHMUOTVQGKF-GZTJUZNOSA-N 223.319 4.362 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccc(C)s2)s1 8080338 YRRRBLNAWIBENE-VOTSOKGWSA-N 248.372 4.323 30 40 BIEB C=C(Br)CCCc1ccc(F)cc1 85650689 YFIBWWWKAXFSHA-UHFFFAOYSA-N 243.119 4.057 30 40 BIEB COc1ccccc1/C=N/c1ccc(C)c(C)c1 436793 SPJQMLAUHUWMIQ-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB CCCCCCCCC[C@H](O)CCC 1606031 VHNLHPIEIIHMHH-CYBMUJFWSA-N 200.366 4.288 30 40 BIEB CCCCCC#Cc1cccc(Cl)c1 59101397 ZAFRUJMGHZVLHV-UHFFFAOYSA-N 206.716 4.272 30 40 BIEB CCCCC#Cc1ccc(C(C)C)cc1 95633089 WBFLRBYWTYIWRG-UHFFFAOYSA-N 200.325 4.352 30 40 BIEB Cc1cccc(C(=O)/C=C/c2ccccc2F)c1 71793419 LUKNPYMCURDTHD-MDZDMXLPSA-N 240.277 4.030 30 40 BIEB CCCC/C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 4266277 MHLPLEGMHZLGAN-SLSOJXQNSA-N 220.356 4.128 30 40 BIEB CCCC[C@](CC)(CC#N)c1ccccc1 5554635 KGUOIZTWGHWHHQ-OAHLLOKOSA-N 215.340 4.438 30 40 BIEB O=C1CCCCC/C1=C\c1cccc(Cl)c1 1651685 VTDQASDBYAELFK-FMIVXFBMSA-N 234.726 4.257 30 40 BIEB Cc1ccc(C)c(N/C=C2\CCCCCC2=O)c1 6390393 YVBNWACRSYJUSG-SDNWHVSQSA-N 243.350 4.132 30 40 BIEB C=C(C)C(=O)c1ccc(CCCCC)cc1 381591480 DENQRUFAAXAWKM-UHFFFAOYSA-N 216.324 4.178 30 40 BIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccco1 17288034 IAFPPONTULDQFV-SXGWCWSVSA-N 243.306 4.168 30 40 BIEB CCCCCCC(=O)/C=C/c1cccc(OC)c1 1570349 AHUDPKGXOBPORO-VAWYXSNFSA-N 246.350 4.248 30 40 BIEB COc1ccc(/N=C/C=C/c2ccccc2)cc1 16978895 MBPYUPPKESSJGW-WUSSVBECSA-N 237.302 4.111 30 40 BIEB Clc1ccccc1/C=N\c1ccccc1 17062582 BIXVUZSUHIDQQJ-GDNBJRDFSA-N 215.683 4.091 30 40 BIEB CCCCCCCCNCCc1ccccc1 97949399 IPCWLAWINISDKI-UHFFFAOYSA-N 233.399 4.179 30 40 BIEB C[S@+]1C=Cc2ccccc2[C@@H]1c1ccccc1 104168531 RDYGJFSWKCQNMJ-DLBZAZTESA-N 239.363 4.008 30 40 BIEB CCCCCCCCOC(=O)CCCCC 1684760 CMNMHJVRZHGAAK-UHFFFAOYSA-N 228.376 4.470 30 40 BIEB biogenic CCCCCCCCCCn1ccc(=N)cc1 1775314 OKCJSJRJQAGPQL-UHFFFAOYSA-N 234.387 4.108 30 40 BIEB biogenic CC[C@@H](C)c1ccc(/N=C2\CCCCCN2)cc1 2638104 DGLNGHDXGACKTI-CYBMUJFWSA-N 244.382 4.394 30 40 BIEB CCCCCCCCCc1cnc(Cl)nc1 2379555 JAKNRIGJJMHYJN-UHFFFAOYSA-N 240.778 4.423 30 40 BIEB Oc1c(/C=N/c2ccccc2)ccc2ccccc12 32101529 WIUBTEMXECBJSY-LDADJPATSA-N 247.297 4.296 30 40 BIEB O/N=C1\CCCC\C1=C\C=C\c1ccccc1 33938170 NTZJGJWGZJESSH-GGUKQFPJSA-N 227.307 4.030 30 40 BIEB C(=N/c1nc2ccccc2s1)\c1cccs1 18084611 ZHNPLQDXWZYQMN-MDWZMJQESA-N 244.344 4.108 30 40 BIEB CCCCCC#Cc1ccc(F)cc1C 95726904 ZSABVCRKUVCBKM-UHFFFAOYSA-N 204.288 4.066 30 40 BIEB CC(C)CC/C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 100366413 DTJZROOJTHRHMV-JTCCWOMRSA-N 234.383 4.374 30 40 BIEB Cc1ccc(F)cc1C(=O)/C=C/c1ccccc1 215744820 JXJOYJFMLPHSNQ-CSKARUKUSA-N 240.277 4.030 30 40 BIEB C=C(Cl)CCc1cccc(C(F)(F)F)c1 71795171 JNSHAXVPPBZUGC-UHFFFAOYSA-N 234.648 4.391 30 40 BIEB Oc1c(/C=N\c2ccccc2)ccc2ccccc12 100248350 WIUBTEMXECBJSY-PDGQHHTCSA-N 247.297 4.296 30 40 BIEB C=CCCC(=O)c1ccc(C)c2ccccc12 575358930 YOWWSQVPCJTJHS-UHFFFAOYSA-N 224.303 4.297 30 40 BIEB Cc1ccccc1/C=C/C(=O)c1ccc(F)cc1 33468933 OFMWQINITFXUOR-DHZHZOJOSA-N 240.277 4.030 30 40 BIEB C=C(C)CCc1ccc(Br)cc1F 95902226 KSSRCFLSEVFFGH-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB CCCCCCCOc1ccccc1C(C)=O 59087957 KFHXYUQZTQMKGB-UHFFFAOYSA-N 234.339 4.238 30 40 BIEB O=C(/C=C/c1ccccc1Cl)c1cccs1 6995721 SYHPAXOZIDMOND-BQYQJAHWSA-N 248.734 4.298 30 40 BIEB C(/C=C\Nc1ccccc1)=Nc1ccccc1 254468474 ZFYNTCNECVPHDZ-FOVKKDFOSA-N 222.291 4.015 30 40 BIEB N#CC1(c2ccc(C(F)(F)F)cc2)CCCC1 75933873 HDLXZRNBHPORST-UHFFFAOYSA-N 239.240 4.041 30 40 BIEB CCCCCC#Cc1ccc(F)c(Cl)c1 95726936 GVJFNEVBMDHBBQ-UHFFFAOYSA-N 224.706 4.411 30 40 BIEB C=C(C)[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 2132956 SAWJHMOBEQAZRA-FPCVCCKLSA-N 232.367 4.247 30 40 BIEB biogenic CC(C)c1ccc([C@H]2CC(=O)C=C(Cl)C2)cc1 22127140 BVHDPJBHTXIVSQ-CYBMUJFWSA-N 248.753 4.379 30 40 BIEB CCCCCCCCN(CCC#N)CCCC 100923381 XRFNYTDWOLRXAO-UHFFFAOYSA-N 238.419 4.363 30 40 BIEB C[C@H](C#N)c1cccc(Oc2ccccc2)c1 6032429 JSCONFOVXYGOST-GFCCVEGCSA-N 223.275 4.106 30 40 BIEB C=C(Br)CCCCc1ccccc1 95727334 NQBGHNWGJRTYCI-UHFFFAOYSA-N 239.156 4.308 30 40 BIEB O=C1/C(=C/c2ccccc2)CCCc2ccccc21 1046402 HXWPCHWOKIESFJ-DTQAZKPQSA-N 248.325 4.289 30 40 BIEB Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 57435452 FTPJXMIJLLTCBY-JXMROGBWSA-N 240.277 4.030 30 40 BIEB CCCCCC(F)(F)C(F)(F)C(F)(F)F 98210372 ZVUIWLHHBDVANB-UHFFFAOYSA-N 240.162 4.400 30 40 BIEB CCCCCCCCCCOC(=S)S 1669425 QMPPYLFXRKUTOR-UHFFFAOYSA-N 234.430 4.358 30 40 BIEB CCCCCCCCCCCCN1CC1 1702366 VTHSQZWBQSWDHD-UHFFFAOYSA-N 211.393 4.223 30 40 BIEB O=C(/C=C/c1cccs1)c1ccccc1Cl 16405864 WZLQYYBWFBTDSA-BQYQJAHWSA-N 248.734 4.298 30 40 BIEB C=CCCC(=O)c1cccc(C(C)(C)C)c1 382676296 SFRKZNWXAQZPNF-UHFFFAOYSA-N 216.324 4.133 30 40 BIEB CCCCc1ccc(C#CC(C)(C)Cl)cc1 95633278 IRXPFYCLXIDPSW-UHFFFAOYSA-N 234.770 4.398 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1 33468937 SMFNOJYIEFZVDD-ZHACJKMWSA-N 240.277 4.030 30 40 BIEB Cc1ccccc1/N=C/c1ccccc1Cl 100104378 FOZBQXWWXGEXIX-MHWRWJLKSA-N 229.710 4.399 30 40 BIEB C=C(Cl)Cc1ccccc1C(F)(F)F 71795169 BLMFMJWQXAROJX-UHFFFAOYSA-N 220.621 4.000 30 40 BIEB CC(C)=CCC[C@H](C)[C@@H]1CCC(C)=CC1=O 13377403 KNOUERLLBMJGLF-KBPBESRZSA-N 220.356 4.294 30 40 BIEB biogenic Cc1cc(Cl)ccc1/N=C\c1ccccc1O 5286948 ZCTOGZMBBSFDOP-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB CCCCCC/C=C(/O)c1ccccc1N 104114271 REGTVDUAFBYAAT-SDNWHVSQSA-N 219.328 4.138 30 40 BIEB COc1ccc(/N=C\C=C\c2ccccc2)cc1 104138496 MBPYUPPKESSJGW-ZCHSMSPKSA-N 237.302 4.111 30 40 BIEB CC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4086365 WYMVPQZBUSNLAP-VOTSOKGWSA-N 246.693 4.202 30 40 BIEB CC(C)(C)c1ccc(C2(C#N)CCCC2)cc1 37287299 FFIBUMRSZPFVTM-UHFFFAOYSA-N 227.351 4.319 30 40 BIEB Cc1cc(C)c(C#N)c(OCC2CCCCC2)c1 96526170 ZFHXZEKQVQLHIR-UHFFFAOYSA-N 243.350 4.134 30 40 BIEB CCCC[C@H](CC)C/N=C\c1ccc(OC)cc1 104064101 KMOAOJBEOKSOEB-ZSRMJVKVSA-N 247.382 4.331 30 40 BIEB CCn1c(C)cc(/C=N/c2ccc(C)cc2)c1C 409066386 MXULAWPMSQOHLL-GZTJUZNOSA-N 240.350 4.184 30 40 BIEB O=C1/C(=C\c2ccccc2)C/C1=C\c1ccccc1 18153252 ZKTLTVCDJXWELP-QJWWANOYSA-N 246.309 4.126 30 40 BIEB Cn1cccc1/C=N\c1ccc(C(C)(C)C)cc1 409105853 LMLWLKLNCGGIAL-ATVHPVEESA-N 240.350 4.073 30 40 BIEB C=C1CC[C@H]2CO[C@@H]([C@H]3CCC=C(C)C3)[C@@H]1C2 4025439 NLMXZKLHJBQARC-QXSJWSMHSA-N 232.367 4.104 30 40 BIEB O=C1/C(=C/c2ccccc2)C/C1=C\c1ccccc1 17104781 ZKTLTVCDJXWELP-MAEUFBSDSA-N 246.309 4.126 30 40 BIEB CCCC[C@@H](CC)C/N=C(C)/C=C(\C)O 104357582 SHZLQULYEIQKPC-ZCTNIYLRSA-N 211.349 4.126 30 40 BIEB C=C(C)c1cc(Cl)ccc1Br 1776011379 WKISPNKWEVQBOX-UHFFFAOYSA-N 231.520 4.136 30 40 BIEB CCC[C@@H](C#N)c1ccc(Cl)cc1Cl 3299705 XYPQXRDLVRTOAU-QMMMGPOBSA-N 228.122 4.401 30 40 BIEB C=C(C)CCc1c(C)c(C)cc(C)c1C 95902316 SOSLLMPAJGMLQI-UHFFFAOYSA-N 202.341 4.429 30 40 BIEB CC(C)[C@@H]1CC[C@@H](C)c2cc(C#N)c(=S)[nH]c21 6764096 FIWCLPAJSTVJDF-KOLCDFICSA-N 246.379 4.253 30 40 BIEB C=CCc1ccc(OCCCCC)c(F)c1 95739678 NKDBMDRTHMIVSA-UHFFFAOYSA-N 222.303 4.123 30 40 BIEB CCCCCCCNC[C@H](C)c1ccccc1 98009749 UUZNMPPAZUXXNU-HNNXBMFYSA-N 233.399 4.350 30 40 BIEB Cc1ccc([C@@H](C#N)C2CCCCC2)cc1 34305361 LPGDMHZKVSCFBC-HNNXBMFYSA-N 213.324 4.183 30 40 BIEB in-vitro CC[P+](C)(C)C12CC3CC(CC(C3)C1)C2 49575600 FNFSNZIEDFQAIC-UHFFFAOYSA-N 225.336 4.252 30 40 BIEB C=C(Cl)Cc1cccc(Cl)c1Cl 71795109 JVBDAKGEMCHEEI-UHFFFAOYSA-N 221.514 4.288 30 40 BIEB CCCCCCCCCCCC[C@H](O)CCO 79684761 UGJRMHXEWBBMMN-HNNXBMFYSA-N 244.419 4.041 30 40 BIEB O=C(/C=C/c1cccs1)c1ccc(Cl)cc1 4289058 JOYGXTIHTHBSOA-BQYQJAHWSA-N 248.734 4.298 30 40 BIEB O/N=C1\CCCC\C1=C\c1ccc(Cl)cc1 104141681 RJALIFJBMFCTOY-NPEMSZEQSA-N 235.714 4.128 30 40 BIEB CCCCCCCCC[C@H](NN)c1ccccc1 161794210 DOWYNQBWWAKYIA-INIZCTEOSA-N 248.414 4.332 30 40 BIEB CCCCCCCCCC[C@H](O)CC 2015861 LBSIDDOMEWFXBT-CYBMUJFWSA-N 200.366 4.288 30 40 BIEB CCCCC[C@@H](O)C#Cc1ccc(C(C)C)cc1 95633092 XMIJIHOYJXBWML-QGZVFWFLSA-N 244.378 4.103 30 40 BIEB C[C@H](CC(=O)c1cccc(C#N)c1)CC(C)(C)C 575362076 ZISQGYLOWMQFHL-GFCCVEGCSA-N 243.350 4.203 30 40 BIEB Cc1ccc(/N=C/c2cc(C)n(C)c2C)cc1C 408782649 IHWWMWQHKFHGLS-LICLKQGHSA-N 240.350 4.009 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccccc2)c(C)c1 5362645 NUUDDTFQVVMRLG-ZHACJKMWSA-N 236.314 4.200 30 40 BIEB C=C(Cl)COc1ccc(-c2ccccc2)cc1 1597142 DBCCHMNBGMJSFO-UHFFFAOYSA-N 244.721 4.485 30 40 BIEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\c1ccccc1 18023202 OIQXFRANQVWXJF-LIQNAMIISA-N 240.346 4.095 30 40 BIEB N#CC1(c2ccccc2Cl)CCCCC1 44268942 QVABJFLPCKMFKO-UHFFFAOYSA-N 219.715 4.065 30 40 BIEB C[C@@H](S)c1ccc(-c2ccccc2)cc1 20476567 ZPJMLVLSSWHNFE-LLVKDONJSA-N 214.333 4.344 30 40 BIEB O/N=C1/CCCCCC[C@@H]1Sc1ccccc1 100932105 PIYZMQWSFCDKGT-RHIYTYFCSA-N 249.379 4.332 30 40 BIEB O=CCCCCCCCCOCc1ccccc1 60004015 DLDFLUBJPHXSHA-UHFFFAOYSA-N 248.366 4.133 30 40 BIEB C=C(Cl)Cc1cccc2ccccc12 85650731 ZGTGDTFTHVTCJB-UHFFFAOYSA-N 202.684 4.135 30 40 BIEB CC(C)=CC(=O)c1c(Cl)cccc1Cl 169151003 PVEMBDQBRQCXEM-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB CCCCc1ccc(/N=C/c2cccn2C)cc1 409103846 XADGWUAHSUFIMN-GHRIWEEISA-N 240.350 4.118 30 40 BIEB O=C1C=C(c2ccccc2)C/C1=C/c1ccccc1 2033632 JPBJDGIGZLDEBO-BOPFTXTBSA-N 246.309 4.126 30 40 BIEB Clc1ccc(C#Cc2ccccc2Cl)cc1 1599897 VBUQGONSTZHQRW-UHFFFAOYSA-N 247.124 4.393 30 40 BIEB C=CCn1c(-c2ccccc2)cc2c1CCCC2 95951344 URCXKYDIZSEZBG-UHFFFAOYSA-N 237.346 4.220 30 40 BIEB CCCCCCCC#Cc1cccs1 101734569 NTEAOAFHCOBWCG-UHFFFAOYSA-N 206.354 4.460 30 40 BIEB C=CCCC(=O)c1ccc(F)c2ccccc12 236160090 BSQFSMRPEMQCOH-UHFFFAOYSA-N 228.266 4.128 30 40 BIEB CCCCCCCNCc1sccc1C 97941734 SBJPUDQFFFAHLF-UHFFFAOYSA-N 225.401 4.117 30 40 BIEB CC(C)=CC(=O)c1ccc(Cl)c(Cl)c1 133080570 DXSCNWFJSUWBLT-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB Cc1ccc(/N=C/c2ccc(F)c(F)c2)cc1C 3225150 PYLIBJMASOEDKA-GIJQJNRQSA-N 245.272 4.332 30 40 BIEB CCCCCCCCNC(=O)c1cccc(C)c1 2057627 PDNXPELOTIFSKU-UHFFFAOYSA-N 247.382 4.085 30 40 BIEB CCCCCCCC(=O)N1CCCC[C@H]1CC 104156377 DDGXESIUFKKBLJ-CQSZACIVSA-N 239.403 4.138 30 40 BIEB CCCCCCCCC(=O)N1[C@@H](C)CC[C@@H]1C 1733488 TVTTUZJFYZHBDE-KBPBESRZSA-N 239.403 4.136 30 40 BIEB C=CCOc1c(CC=C)cccc1CC(=C)C 1670371 WTGDLDXQSCTOGU-UHFFFAOYSA-N 228.335 4.099 30 40 BIEB C=CC[C@H](Nc1ccccc1)c1ccco1 19015130 NHTXMDMUIXFGIE-ZDUSSCGKSA-N 213.280 4.009 30 40 BIEB C=C(C)Cc1ccc(OCc2ccccc2)cc1 43502361 RETBWYVBZXVJIT-UHFFFAOYSA-N 238.330 4.384 30 40 BIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/c1ccccc1 100364571 OIQXFRANQVWXJF-ZTODGRRHSA-N 240.346 4.095 30 40 BIEB Oc1ccc(/N=C/c2cccc3ccccc23)cc1 587865 CZTLTCCMXCBZDZ-LDADJPATSA-N 247.297 4.296 30 40 BIEB Cc1cccc(/C=C/C(=O)c2ccccc2C)c1 58773694 FRLCAOSYWSVLCB-ZHACJKMWSA-N 236.314 4.200 30 40 BIEB Cc1ccccc1/C=C/C(=O)c1ccccc1C 71977136 HQYVQVFVRYZQCH-VAWYXSNFSA-N 236.314 4.200 30 40 BIEB CCCCC/N=C(C)/C(C)=N/CCCCC 104260567 RUKFKECDGCTUST-WXUKJITCSA-N 224.392 4.289 30 40 BIEB C/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 297911 VDZFUZAJHIZTTN-LICLKQGHSA-N 247.382 4.036 30 40 BIEB N#CCCCCOc1cc(Cl)ccc1Cl 42206134 OTSXJUQSBNYRLA-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB CCCCCCCC(=O)O[C@H]1CCCC[C@H]1C 1615177 ZFUKUODGBHPRJR-KGLIPLIRSA-N 240.387 4.469 30 40 BIEB C=C(C)Cc1ccc(C(C)(OCC)OCC)cc1 43502383 NCXOXBKDAFMJRS-UHFFFAOYSA-N 248.366 4.051 30 40 BIEB CCCCCCC[C@@H](C)C(OCC)OCC 101745015 WDWOPVJSVSQRIF-CYBMUJFWSA-N 230.392 4.382 30 40 BIEB CCCCCCCCC/C(=N/O)c1ccccn1 8829274 BQLQVZJEOAXVOR-ICFOKQHNSA-N 248.370 4.401 30 40 BIEB N#CC1(c2cccc(Cl)c2Cl)CCCC1 169836302 BYAWKFVBXZEICR-UHFFFAOYSA-N 240.133 4.329 30 40 BIEB Cc1c(Cl)cccc1/N=C\c1cccs1 12372443 UYDAJRXNPWWUJI-ZSOIEALJSA-N 235.739 4.461 30 40 BIEB C=C(C)CCc1c(F)c(F)c(C)c(F)c1F 95902297 DWMBXFRVPMREDY-UHFFFAOYSA-N 232.220 4.060 30 40 BIEB C=C(C)[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4026807 SAWJHMOBEQAZRA-XUWVNRHRSA-N 232.367 4.247 30 40 BIEB biogenic Cc1cc(C#N)c(C)n1-c1ccc(C(C)C)cc1 33466497 FANNIUQPKMAKAZ-UHFFFAOYSA-N 238.334 4.089 30 40 BIEB CC[C@@H](C)c1ccc(/N=C/c2cccn2C)cc1 409107557 RXATUYFWGXENSG-LVLBFHFTSA-N 240.350 4.289 30 40 BIEB CC(C)(C)SCC#CCSC(C)(C)C 1737661 GXYCQKZBUYMLTB-UHFFFAOYSA-N 230.442 4.053 30 40 BIEB C=C(C)CCCc1cc(F)cc(Cl)c1 85650678 ZNSVSGYDYYOPEU-UHFFFAOYSA-N 212.695 4.378 30 40 BIEB C=CCn1c(C(CC)CC)nc2ccccc21 535743 RULRBRJNTKCLLS-UHFFFAOYSA-N 228.339 4.126 30 40 BIEB CC(C)=CCC/C(C)=C/CC/C(C)=N/O 100310256 BFBMAYWZMKDZFY-KAQIVPQOSA-N 209.333 4.309 30 40 BIEB C(=N\c1nc2ccccc2s1)\c1cccs1 101922356 ZHNPLQDXWZYQMN-JYRVWZFOSA-N 244.344 4.108 30 40 BIEB Cc1ccccc1/N=C\c1cc(Cl)ccc1O 102940797 FRMHOFWFSFFMTQ-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB CC(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1 13407665 AAOLGDRTKZMLIG-OUKQBFOZSA-N 236.314 4.346 30 40 BIEB in-man Cc1ccc(/N=C/c2cccc(Cl)c2)cc1 17862641 KJGFRMOAEPWKFH-MHWRWJLKSA-N 229.710 4.399 30 40 BIEB Cc1cccc(C(=O)/C=C/c2ccccc2C)c1 71793422 YUMFCUJCEOAIOZ-ZHACJKMWSA-N 236.314 4.200 30 40 BIEB CCCCCC/C=C\Cc1cc(O)cc(O)c1 72399608 VKWFGJNPZKSIEL-FPLPWBNLSA-N 234.339 4.167 30 40 BIEB in-vitro C(=N/c1ccccc1)\c1cccn1-c1ccccc1 408856522 CHBYYMRRZKNOQV-NBVRZTHBSA-N 246.313 4.228 30 40 BIEB C=CCCCCCCCCCOC(=O)CC 1685802 MVNIQZNNNMCYJX-UHFFFAOYSA-N 226.360 4.246 30 40 BIEB N#Cc1ccc2cccc(-c3ccccc3)c2c1 71256605 UVUBFKMNSMGTPO-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB CCCCCCCCC[C@@H]1OCC[C@@H](C)O1 100301449 DRHWPDCYULTYSA-ZIAGYGMSSA-N 228.376 4.279 30 40 BIEB C=C(Cl)CCc1cccc(Br)c1 2567457 XAIFGCHTKSTBIR-UHFFFAOYSA-N 245.547 4.134 30 40 BIEB C=CCc1ccc(F)c(OCCCCC)c1 95732185 GOWBEKNMFBYMEF-UHFFFAOYSA-N 222.303 4.123 30 40 BIEB C#C[C@@]1(C)CC[C@H](C(=C)C)[C@H](c2ccccc2)O1 100823727 KMULJELYGAFWKQ-IKGGRYGDSA-N 240.346 4.122 30 40 BIEB C=CCCCCCCCCC(=O)OC(C)C 1874369 SJMKHCGKNIXLKH-UHFFFAOYSA-N 226.360 4.245 30 40 BIEB C=C[C@]1(C)CC[C@@H](C(C)C)C(=O)[C@H]1C(=C)C 15150042 GWHRSRIPLDHJHR-GZBFAFLISA-N 220.356 4.006 30 40 BIEB endogenous,in-man CC1(C)[C@@H]2CC=C(/C=N/c3ccccc3)[C@@H]1C2 100668888 DGSSDYANFLGMLT-AUUGRSLUSA-N 225.335 4.381 30 40 BIEB CCOc1ccc(/N=C/c2ccc(C)cc2)cc1 100997205 YLVDCPUKGYDWBK-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB Cc1ccc(C#Cc2cc(Cl)ccc2C)cc1 95631741 IPDIMDCHEJGVRG-UHFFFAOYSA-N 240.733 4.357 30 40 BIEB C=CCc1cc(F)cc(OCCCCC)c1 95732199 OKNOMLYYTLXRHI-UHFFFAOYSA-N 222.303 4.123 30 40 BIEB C=CCCCCCCCC[C@H]1OCC[C@@H](C)O1 4429315 UCCCJFUKJUIYAE-CABCVRRESA-N 240.387 4.445 30 40 BIEB CCCCCCCc1ccc(NC(C)=O)cc1 2187255 VXBRBSBURKACCJ-UHFFFAOYSA-N 233.355 4.158 30 40 BIEB C[C@@H](S)c1ccc2c(c1)Cc1ccccc1-2 8627436 CXPIKPVWEOWXHN-SNVBAGLBSA-N 226.344 4.249 30 40 BIEB Clc1ccc(S/N=C/c2ccccc2)cc1 17062350 SDABJBAALONSRJ-XNTDXEJSSA-N 247.750 4.466 30 40 BIEB CC(C)c1ccc([C@@H]2CC(=O)C=C(Cl)C2)cc1 22127143 BVHDPJBHTXIVSQ-ZDUSSCGKSA-N 248.753 4.379 30 40 BIEB C=CCCCCCCCCC1OCCCO1 1589793 LXQNIXJHJHGDBO-UHFFFAOYSA-N 226.360 4.056 30 40 BIEB CCCCCCCCCC[C@H](O)C(F)(F)F 2578106 MVHWXVCSJHZULK-NSHDSACASA-N 240.309 4.440 30 40 BIEB C/C=C/C(=O)c1ccc(Cl)cc1C(F)(F)F 309218502 MSKMHHWABLGTKQ-NSCUHMNNSA-N 248.631 4.118 30 40 BIEB CCOc1ccc(/N=C/c2ccccc2C)cc1 298234 CXLIILXNNXKALB-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB O=C(/C=C\c1ccccc1)c1ccc(Cl)cc1 17301009 HIINIOLNGCQCSM-WDZFZDKYSA-N 242.705 4.236 30 40 BIEB [N-]=[N+]=Nc1nc2ccccc2n1Cc1ccccc1 33373844 CGYOSEBSECCKTN-UHFFFAOYSA-N 249.277 4.026 30 40 BIEB CC(C)=CC(=O)c1cccc(C(F)(F)F)c1C 575359920 AKMCQGHWBINOLE-UHFFFAOYSA-N 242.240 4.163 30 40 BIEB CC1(C)[C@@H]2CC[C@@]1(C)C=C2C(=O)c1ccccc1 1728916 HLSKQRKUUYVUFW-PBHICJAKSA-N 240.346 4.252 30 40 BIEB CC(C)[C@@H]1CC[C@H](C)c2cc(C#N)c(=S)[nH]c21 6824523 FIWCLPAJSTVJDF-ONGXEEELSA-N 246.379 4.253 30 40 BIEB C=C(C)CC1(NCc2ccccc2)CCCCC1 4008407 ZOWKJBJSYULVIN-UHFFFAOYSA-N 243.394 4.445 30 40 BIEB CCc1ccc(C(=O)/C=C/c2ccc(C)o2)cc1 71976895 JKQUPKNAQWTXAP-ZHACJKMWSA-N 240.302 4.047 30 40 BIEB C[C@H]1CC2=C(C[C@H]1C#N)C(C)(C)CCC2 5358292 CFLOREYDOPFXTC-JQWIXIFHSA-N 203.329 4.063 30 40 BIEB C=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccco1 3315245 NLXVBBUYEXXZMJ-DZGCQCFKSA-N 241.334 4.248 30 40 BIEB CCCCCCCCOc1ccccc1N 60264542 OGEFQWOGBSQSDP-UHFFFAOYSA-N 221.344 4.008 30 40 BIEB CCCCCCCCCCC[C@@H](C)O 1700021 HKOLRKVMHVYNGG-CYBMUJFWSA-N 200.366 4.288 30 40 BIEB biogenic CCCCCCCNc1ccc(C)cc1 1839629 OEHDYSRKCLIIBW-UHFFFAOYSA-N 205.345 4.377 30 40 BIEB C=CCOc1ccc(C2CCCCC2)cc1 1596163 NTWGOCGBZYQYJD-UHFFFAOYSA-N 216.324 4.299 30 40 BIEB CC(C)COc1ccc(C2(C#N)CCCC2)cc1 20429414 LNPWULJNMATWNM-UHFFFAOYSA-N 243.350 4.057 30 40 BIEB C=C(Br)Cc1cccc2ccccc12 71795293 ACVVFAYFCAIJIU-UHFFFAOYSA-N 247.135 4.291 30 40 BIEB CC(C)N1c2ccc(C#N)cc2[C@@H](C)CC1(C)C 223774878 MAFDFHDANYWUIV-LBPRGKRZSA-N 242.366 4.059 30 40 BIEB CCCCCCCCCCn1ccnc1S 1584725 JDIVIRKXRABDRT-UHFFFAOYSA-N 240.416 4.313 30 40 BIEB CCCCCCCCCCC(=O)N(CC)CC 1733547 SIYDUGQKYAEXGG-UHFFFAOYSA-N 241.419 4.386 30 40 BIEB Cc1ccc(C#Cc2cc(C)ccc2C)cc1 95633570 KQQVTICHYVHMTM-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB C=C(Br)Cc1ccc(Cl)cc1C 71795225 HGFWWWUGQARFGX-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB C=CCCCCCCCCCC(=O)OCC 2572459 ZJBHYKJKLISMQA-UHFFFAOYSA-N 226.360 4.246 30 40 BIEB C=CC[C@H](Nc1ccccc1)c1ccc(C)o1 4045319 VRDAKMIGZJZHLV-AWEZNQCLSA-N 227.307 4.317 30 40 BIEB Cc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1 8371863 HAFWOPHZJGIWTC-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB C=C(Cl)Cc1ccc(F)c2ccccc12 95727308 RFMQDPRHBFRPLI-UHFFFAOYSA-N 220.674 4.274 30 40 BIEB CCc1cccc(C(=O)/C=C/c2ccccc2)c1 575358715 BWBSGWIHOCNFGP-VAWYXSNFSA-N 236.314 4.145 30 40 BIEB CCCCCCCNCc1cccc(Cl)c1 100027241 CWMXRCTYCKIBSL-UHFFFAOYSA-N 239.790 4.400 30 40 BIEB N#C[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 1759525 JQPMXNXHGCKJSP-CQSZACIVSA-N 242.709 4.017 30 40 BIEB CS/C(=N\c1ccccc1)c1ccccc1 13477496 OCGKZISWUGOYFH-PFONDFGASA-N 227.332 4.128 30 40 BIEB CCCCCCCCSC(=S)S 100687113 NUQHPIQYHJECLJ-UHFFFAOYSA-N 222.444 4.295 30 40 BIEB CCCC[C@@H](CC)/C(=N\O)c1cc(C)ccc1O 5420855 KZKCLFCDMYXMQQ-IUDBQGPFSA-N 249.354 4.095 30 40 BIEB CCCC[C@H](CC)C/N=C/c1ccc(OC)cc1 17376749 KMOAOJBEOKSOEB-DLRWLJPMSA-N 247.382 4.331 30 40 BIEB C=CCSc1cc(C)c(Cl)c(C)c1 95733099 SXEYTMDUHFFCOF-UHFFFAOYSA-N 212.745 4.235 30 40 BIEB C=CCCC(=O)c1c(C)c(C)cc(C)c1C 394752738 OJGMCGFUELDXHH-UHFFFAOYSA-N 216.324 4.069 30 40 BIEB CCn1c(C)cc(/C=N\c2ccccc2F)c1C 409065553 JHRINQVKKUVVQP-YVLHZVERSA-N 244.313 4.015 30 40 BIEB Cc1ccc(/N=C2/C=C(O)CC(C)(C)C2)cc1 102431255 VNXWVHONFCHZPO-SSZFMOIBSA-N 229.323 4.329 30 40 BIEB C/C=C(\C)C(=O)OCCCCCCCCC 103833204 NIOMGUSCYSQFTC-WLRTZDKTSA-N 226.360 4.246 30 40 BIEB CCCCCCCCCCCC[N+](=O)[O-] 1708067 MQEMKUTWMALMCC-UHFFFAOYSA-N 215.337 4.184 30 40 BIEB CCCCCCC#Cc1cc(F)ccc1OC 101735741 NBGJSMHDDAEEGK-UHFFFAOYSA-N 234.314 4.156 30 40 BIEB C=C(C)CCc1cc(F)ccc1Br 95902225 VOOVVANMTLASOI-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB Cc1ccc(/C=N\c2cccc3ncccc23)cc1 100141142 IHVZIVGPCGMAJV-UNOMPAQXSA-N 246.313 4.294 30 40 BIEB CCCCCCC(=O)/C=C/c1ccc(F)cc1 1576124 IYISZZMUSNIDTJ-FMIVXFBMSA-N 234.314 4.378 30 40 BIEB Cc1ccc(C(=O)/C=C/c2cccs2)cc1C 32100592 ZKCNYPABRKDMKL-BQYQJAHWSA-N 242.343 4.261 30 40 BIEB C[C@H](c1ccccc1)[C@@](C)(C#N)c1ccccc1 1555257 HDPZSJBJWNFNGV-RHSMWYFYSA-N 235.330 4.272 30 40 BIEB CCCCCCCn1cnc2ccccc21 2474200 BUGQTSPQPHTQMB-UHFFFAOYSA-N 216.328 4.007 30 40 BIEB Cc1ccccc1/N=C\c1cc(C)c(O)c(C)c1 108325442 WKJLFEZTYTUAAU-YVLHZVERSA-N 239.318 4.068 30 40 BIEB CC[C@H](C)n1c(C#N)ccc1CC1CCCCC1 226023881 MQJMSRHMDKRMQB-ZDUSSCGKSA-N 244.382 4.454 30 40 BIEB C[C@@H](CC(=O)C#Cc1ccccc1)CC(C)(C)C 382635671 BWSDQVPYKIUKBC-AWEZNQCLSA-N 242.362 4.070 30 40 BIEB C=CCCCCCCCC[C@@H]1OC[C@H](C)O1 1590116 OECSCWLUGVWEPK-UONOGXRCSA-N 226.360 4.055 30 40 BIEB CC(C)CC[C@@]1(CC#N)CCO[C@H](C(C)C)C1 2108673 YFXQPIJQPBZPRS-LSDHHAIUSA-N 237.387 4.158 30 40 BIEB biogenic CCCCCCCC(=O)OC1CCCCC1 1608573 TXWXLLMVRVKQSO-UHFFFAOYSA-N 226.360 4.223 30 40 BIEB Cc1ccc(N/C=C2\CCCCCC2=O)c(C)c1 33624074 WGRDUOSONIUWJR-SDNWHVSQSA-N 243.350 4.132 30 40 BIEB CC(C)=CCCC1=CC[C@H](/C(C)=N\O)CC1 518161 XQJQANVTFLIWRG-UZFBZYOGSA-N 221.344 4.309 30 40 BIEB O=C(/C=C\c1cccs1)c1ccc(Cl)cc1 31852516 JOYGXTIHTHBSOA-FPLPWBNLSA-N 248.734 4.298 30 40 BIEB CC(C)=CC(=O)c1ccc(F)c2ccccc12 232562562 BUUBSWNIYRPUSI-UHFFFAOYSA-N 228.266 4.128 30 40 BIEB N#Cc1ccccc1Nc1cccc2c1CCCC2 20558042 RZTFADFAUWRFHP-UHFFFAOYSA-N 248.329 4.181 30 40 BIEB C=CCc1cc(F)c(OCCCCC)c(F)c1 95732152 RIQRMCXGYFUOQD-UHFFFAOYSA-N 240.293 4.262 30 40 BIEB CCCN1c2ccc(C#N)cc2[C@H](C)CC1(C)C 260719765 MNMPLOWFAZZZGT-GFCCVEGCSA-N 242.366 4.060 30 40 BIEB C(#Cc1cccc2ccccc12)c1ccccc1 49950978 RJTQETWCPOVCSR-UHFFFAOYSA-N 228.294 4.240 30 40 BIEB CCCCCCCCCC[C@@H]1OC[C@H](C)O1 1595734 ZOJCTKZSRSUPTO-UONOGXRCSA-N 228.376 4.279 30 40 BIEB endogenous,in-man CCCC[C@@H](CC)C[C@H](CC)COC[C@@H]1CO1 72422471 DNYHBENUJOKOEB-QLFBSQMISA-N 242.403 4.035 30 40 BIEB Cc1ccc(C(=O)/C=C\C=C\c2ccccc2)cc1 4578831 RZQJWYNOZJISEX-POQLCMLLSA-N 248.325 4.447 30 40 BIEB O=C1/C(=C\c2ccccc2)Sc2ccccc21 161061 BWBFNVYHZVSITL-GXDHUFHOSA-N 238.311 4.016 30 40 BIEB CCC1=C(c2ccccc2)C(=O)c2ccccc21 1736757 OJVSETSEVSKLHT-UHFFFAOYSA-N 234.298 4.204 30 40 BIEB C=C(F)CCCCCCCCCCC(=O)O 38953429 AISBVDFPURAGNI-UHFFFAOYSA-N 230.323 4.455 30 40 BIEB C=C1CCC[C@@]2(C)Cc3occ(C)c3C[C@H]12 2558127 TYPSVDGIQAOBAD-HIFRSBDPSA-N 216.324 4.049 30 40 BIEB biogenic C=C(C)[C@@H]1CC[C@H](C)O[C@H]1c1ccccc1 3881685 XIOOYALQQNYIFZ-QEJZJMRPSA-N 216.324 4.119 30 40 BIEB biogenic CCCCCC#Cc1ccc(OCC)cc1 39100226 MJFUJMYKUOSGHO-UHFFFAOYSA-N 216.324 4.017 30 40 BIEB N#C[C@H](c1ccc(Cl)cc1)C1CCCC1 41233692 PCXHCCAVRJLNSD-ZDUSSCGKSA-N 219.715 4.137 30 40 BIEB CCCCCCCC(=O)c1ccnc(Cl)c1 100297229 PIJYFWMNSPVEJG-UHFFFAOYSA-N 239.746 4.278 30 40 BIEB C=C(CCCCC)C(=O)/C=C/c1ccccc1 2024964 BHWSGHMQTYASSA-OUKQBFOZSA-N 228.335 4.405 30 40 BIEB C=CCCC(=O)c1ccc(CCCC)cc1 394648092 WMIBFFBYCTUGFC-UHFFFAOYSA-N 216.324 4.178 30 40 BIEB CCCCCCCC[C@@H](O)CCCC 1606026 GRDYSMCYPTWIPT-ZDUSSCGKSA-N 200.366 4.288 30 40 BIEB CC#CC[N+](C)(C)CCCCCCCCCC 1793526 CZKHLIOQQPRGJK-UHFFFAOYSA-N 238.439 4.227 30 40 BIEB CCCCCCCCNCc1cccs1 100032533 ZSICCSOZVDKTNF-UHFFFAOYSA-N 225.401 4.198 30 40 BIEB CCCCCCC#Cc1cc(OC)ccc1OC 101734801 MGHVXTGENFDVSO-UHFFFAOYSA-N 246.350 4.026 30 40 BIEB CCCCC#Cc1ccc(C)c(Cl)c1 95631627 JRUUMHNXEOPQOY-UHFFFAOYSA-N 206.716 4.190 30 40 BIEB C=C(Br)Cc1cccc(C(C)C)c1 95727325 SACROSCDQDGWKK-UHFFFAOYSA-N 239.156 4.261 30 40 BIEB CC(C)=CCC[C@@H](C)CCC[C@@H](C)C=O 1712093 UEGBWDUVDAKUGA-ZIAGYGMSSA-N 210.361 4.374 30 40 BIEB C/C=C/C(=O)c1cc(C(F)(F)F)ccc1Cl 309378066 WMCNRYABDJWEEF-NSCUHMNNSA-N 248.631 4.118 30 40 BIEB C=CCOc1ccccc1/C=N/c1ccccc1 6295884 BBJILJNZKDAHGR-GHRIWEEISA-N 237.302 4.002 30 40 BIEB C/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 95917343 RVMIOZCUCDMTNX-QHHAFSJGSA-N 238.286 4.238 30 40 BIEB CC(C)N1c2ccc(C#N)cc2[C@H](C)CC1(C)C 260719728 MAFDFHDANYWUIV-GFCCVEGCSA-N 242.366 4.059 30 40 BIEB C/C(=N/Nc1ccccc1)C1=Cc2ccccc2C1 4266427 PTZWREVLAKBOST-AQTBWJFISA-N 248.329 4.114 30 40 BIEB C/C(=N/O)c1ccc2ccc3ccccc3c2c1 84459952 KBJZNSAZGOKTFN-BOPFTXTBSA-N 235.286 4.191 30 40 BIEB C=C(Br)CCCC(C)(C)C 95727331 LGMSMOZGTVRSQZ-UHFFFAOYSA-N 205.139 4.111 30 40 BIEB CCCCCCCCNCc1ccsc1 105344452 QZFHPNQEXFGJQJ-UHFFFAOYSA-N 225.401 4.198 30 40 BIEB O=C1/C(=C\C=C\c2ccccc2)Cc2ccccc21 169599508 PCUGRWFOEKPEBH-SAEKGINCSA-N 246.309 4.065 30 40 BIEB Clc1ccc(/C=N/c2ccccc2)s1 408966137 LNHOFLFURVZZOK-MDWZMJQESA-N 221.712 4.152 30 40 BIEB O=C(/C=C/c1ccccc1)c1ccc(C2CC2)cc1 5278448 FXMOMWYQTBCQPX-AWNIVKPZSA-N 248.325 4.460 30 40 BIEB C=C1[C@@H]2CCC(C)(C)[C@H]1CC[C@@]2(C)OCC 5861013 LUNAXRIJWWBQTE-KCQAQPDRSA-N 222.372 4.184 30 40 BIEB CC(C)=CC(=O)c1cc(Cl)ccc1Cl 169150720 WSIPUQWXSNUUHY-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB C[C@H](S)c1ccc2c(c1)Cc1ccccc1-2 4809257 CXPIKPVWEOWXHN-JTQLQIEISA-N 226.344 4.249 30 40 BIEB C=C[C@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2 2124338 HRELBTTXSJQRTI-RBSFLKMASA-N 218.340 4.001 30 40 BIEB C=C(CCCCC)C(=O)/C=C\c1ccccc1 17107696 BHWSGHMQTYASSA-SEYXRHQNSA-N 228.335 4.405 30 40 BIEB CCCCC#Cc1cccc(Cl)c1C 95631576 HFNQCINRHMPZIZ-UHFFFAOYSA-N 206.716 4.190 30 40 BIEB CCCCCC/C=C/CCCC(=O)OCC 2561333 LYMJBMIYQMVCCY-MDZDMXLPSA-N 226.360 4.246 30 40 BIEB CC(C)c1ccc(/N=C\c2ccccc2O)cc1 5644530 CMMAUCDBNBLVIV-BOPFTXTBSA-N 239.318 4.266 30 40 BIEB CCCCCCCCCC/C=C/C(=O)OC 70455486 FZKILUWDXTYCDR-OUKQBFOZSA-N 226.360 4.246 30 40 BIEB biogenic,in-vitro CC(C)/C(O)=N/C1CCC(c2ccccc2)CC1 58232046 IBURYGOOMQQIDR-UHFFFAOYSA-N 245.366 4.325 30 40 BIEB CCCCCCC[C@@H](O)CCCCC 1606032 HAIXKKLECRWLIX-ZDUSSCGKSA-N 200.366 4.288 30 40 BIEB C(=C\Nc1ccccc1)\C=N\c1ccccc1 17354665 ZFYNTCNECVPHDZ-KSTYKBLMSA-N 222.291 4.015 30 40 BIEB C=C(Cl)CCCc1ccc(Cl)cc1 85650651 GDOVBVPVMDEZSQ-UHFFFAOYSA-N 215.123 4.415 30 40 BIEB C=C(C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 4026810 SAWJHMOBEQAZRA-KLHDSHLOSA-N 232.367 4.247 30 40 BIEB biogenic [N-]=[N+]=Nc1ccc(Cl)cc1C(F)(F)F 36928133 TVQCWYKTHXALLV-UHFFFAOYSA-N 221.569 4.301 30 40 BIEB in-vitro C/N=C(\Nc1ccc(Cl)c(Cl)c1)C(C)C 1676647 WKPIJIAKTPHRIX-UHFFFAOYSA-N 245.153 4.090 30 40 BIEB CCCCCCCCCC[C@H]1C[C@@H]1C(=O)O 97995861 IPYXSVSAXULIAH-STQMWFEESA-N 226.360 4.238 30 40 BIEB Cc1c(F)cccc1C(=O)/C=C/c1ccccc1 575357403 JCPRQPFYAHQRSQ-ZHACJKMWSA-N 240.277 4.030 30 40 BIEB CCCCCCCCCCOCCS 1672261 PFQFVQVKXOUUBL-UHFFFAOYSA-N 218.406 4.074 30 40 BIEB C=CCCC(=O)c1cc(Cl)cc(Cl)c1 168407523 CVTGZMKUHQIBOL-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB C=C(C)Cc1ccc(-c2ccc(OC)cc2)cc1 43502481 WEBOKOXTVFYQGU-UHFFFAOYSA-N 238.330 4.481 30 40 BIEB C=C(Cl)CCc1cccc(C(C)C)c1 1531865382 IIVREQNIXXTUPK-UHFFFAOYSA-N 208.732 4.495 30 40 BIEB CCCCCCCCCN[C@H]1C=CCCC1 104059816 PENPLZGRPXOBEL-HNNXBMFYSA-N 223.404 4.435 30 40 BIEB C=C(C)COc1ccc(-c2ccccc2)cc1 1597143 JKKUZCVYCLLYCS-UHFFFAOYSA-N 224.303 4.309 30 40 BIEB Clc1ccc(C#Cc2ccccc2)cc1Cl 95633462 JLHWDLVSUGKARD-UHFFFAOYSA-N 247.124 4.393 30 40 BIEB N#CC1(c2c(F)cccc2Cl)CCCCC1 1081352 WIFXEJWTWHLDBA-UHFFFAOYSA-N 237.705 4.205 30 40 BIEB CCCCC/C(=N\O)c1c(C)[nH]c2ccccc12 18067627 JVWNBEWQLPWZLC-SAPNQHFASA-N 244.338 4.235 30 40 BIEB Cc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 71793423 OMBUDWZTEOIFQY-ZHACJKMWSA-N 236.314 4.200 30 40 BIEB CCCCC#Cc1ccc(F)c(Cl)c1 95632861 DUQASAPWFFRBGX-UHFFFAOYSA-N 210.679 4.021 30 40 BIEB CCCCC#Cc1cc(C)c(C)cc1C 95633870 GPVUQOBDGHZVAO-UHFFFAOYSA-N 200.325 4.154 30 40 BIEB CCCCCCCC1CCC(C(=O)O)CC1 2577570 JMAUQQIVJIRNDQ-UHFFFAOYSA-N 226.360 4.238 30 40 BIEB C=CCN(Cc1ccc(Cl)cc1)C1CCCC1 48288840 SFTAXKVLWFJXSG-UHFFFAOYSA-N 249.785 4.271 30 40 BIEB CCCCCCCOc1ccc(N)cc1Cl 100474746 LSQRMNVJQAQANW-UHFFFAOYSA-N 241.762 4.271 30 40 BIEB N#Cc1ccc(Sc2ccc(Cl)cc2)cc1 20553892 CNIPIGLQDBYVPE-UHFFFAOYSA-N 245.734 4.363 30 40 BIEB C=C1C[C@H](C)O[C@@H]([C@H]2CC=C(C)C[C@@H]2C)C1 102774240 UKORLSVQLXXHOC-ZQDZILKHSA-N 220.356 4.103 30 40 BIEB C=C(Cl)CCCc1cc(F)c(F)c(F)c1 953053584 JEIWISVDUIYKBR-UHFFFAOYSA-N 234.648 4.179 30 40 BIEB C=C(CCc1ccccc1)c1ccccc1 2381588 PWSZACWUDDFZMQ-UHFFFAOYSA-N 208.304 4.333 30 40 BIEB endogenous,in-man CCOc1ccccc1/C=N/c1ccccc1C 6965209 WCMMKOUHIXKGQW-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB Cc1cc(C#CC(C)(C)Cl)ccc1Cl 95631685 ULWAFTMRCHGBFV-UHFFFAOYSA-N 227.134 4.017 30 40 BIEB C[C@H](CC(=O)c1ccc(C#N)cc1)CC(C)(C)C 575361943 SORKHWPNMUYZSK-GFCCVEGCSA-N 243.350 4.203 30 40 BIEB CCCCCCCCCCCc1cc[n+]([O-])cc1 68564935 XDJCLBDFNXCPSG-UHFFFAOYSA-N 249.398 4.393 30 40 BIEB CCCC(CCC)C(=O)c1ccc(F)c(C#N)c1 575361971 WRBSYDMREXRHJY-UHFFFAOYSA-N 247.313 4.096 30 40 BIEB CCCCCCCCCC[C@@H](O)C(F)(F)F 95676555 MVHWXVCSJHZULK-LLVKDONJSA-N 240.309 4.440 30 40 BIEB C#C[C@@]1(C)CC[C@H](C(=C)C)[C@@H](c2ccccc2)O1 3881679 KMULJELYGAFWKQ-ZACQAIPSSA-N 240.346 4.122 30 40 BIEB CCCCCCCC(=O)N[C@@H](C)c1ccccc1 100971270 TWXVFDSCHKROSL-AWEZNQCLSA-N 247.382 4.224 30 40 BIEB O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)C1 1469179 ZJSVUFYYBBKIIA-KRWDZBQOSA-N 248.325 4.217 30 40 BIEB CCCCCC/C=C/CCCCOC(C)=O 59725075 FOEWNRTZASNZJY-CMDGGOBGSA-N 226.360 4.246 30 40 BIEB Cc1ccc(C#Cc2cccc(Cl)c2)cc1 95631784 ZLMYRPZPJSEDNO-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB CCCCCCCCCCS/C(=N/C)NC 1661524 SVUFYZWPSRJMSW-UHFFFAOYSA-N 244.448 4.066 30 40 BIEB CCc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1 58270731 KVRQKJDAMXFIKC-MDZDMXLPSA-N 240.302 4.047 30 40 BIEB CCCCC#Cc1ccc(Cl)c(C)c1 95631677 IUWZXBWHIZUTNR-UHFFFAOYSA-N 206.716 4.190 30 40 BIEB Cc1ccccc1/N=C/C=C(\O)c1ccccc1 103765524 UJKVYEPIKAZCBJ-QJWWANOYSA-N 237.302 4.296 30 40 BIEB ON=C(/C=C/c1ccccc1)/C=C/c1ccccc1 46072 QLGJJJOJYFTJJH-PHEQNACWSA-N 249.313 4.243 30 40 BIEB CC(C)c1ccc(C#C[Si](C)(C)C)cc1 198046705 XZUKJNDAVNPSDX-UHFFFAOYSA-N 216.400 4.039 30 40 BIEB N#CCCCCCCC(=O)c1ccccc1Cl 2392821 ZAWYFKCQHWQSGP-UHFFFAOYSA-N 249.741 4.387 30 40 BIEB C=C(C)Cc1ccc(-c2ccccc2)cc1 71795154 ZRWNOQGLFCGKHV-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB CCCCCCCC(=O)c1ccc(N(C)C)cc1 59256146 SJPVJIGYZVXAME-UHFFFAOYSA-N 247.382 4.296 30 40 BIEB CCCCCCCC#Cc1ccc([N+](=O)[O-])cc1 68569521 NHICSJQGUBDNET-UHFFFAOYSA-N 245.322 4.307 30 40 BIEB C(=CNc1ccccc1)C=Nc1ccccc1 1857775738 ZFYNTCNECVPHDZ-UHFFFAOYSA-N 222.291 4.015 30 40 BIEB CCCCCCCNC(=O)c1ccc(C)c(C)c1 2801528 FBISOANZBZATKU-UHFFFAOYSA-N 247.382 4.004 30 40 BIEB C=CCc1c(C)cc(C(C)(C)C)cc1C 71795195 CREVEHRNNVVLHE-UHFFFAOYSA-N 202.341 4.329 30 40 BIEB N#CCC1(SCc2ccccc2)CCCC1 95348231 WOLKPGOJUKLJGS-UHFFFAOYSA-N 231.364 4.146 30 40 BIEB in-vitro CCCC[C@H](CC)/C(=N\O)c1cc(C)ccc1O 5421094 KZKCLFCDMYXMQQ-VVLLMFOMSA-N 249.354 4.095 30 40 BIEB CCCCCC#Cc1cc(F)ccc1C 95726909 SCXPNGGGCMKAMY-UHFFFAOYSA-N 204.288 4.066 30 40 BIEB CC(C)CC/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210330 DTJZROOJTHRHMV-VJNRTPOASA-N 234.383 4.374 30 40 BIEB CCCCCC(/C=N\O)=C/c1ccccc1 104371335 QWDRVWBLCXTVJB-GFCQZRJLSA-N 217.312 4.110 30 40 BIEB C[C@H]1CC[C@@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C 4567043 XCNWBFCZQCPYPV-KYEXWDHISA-N 222.372 4.064 30 40 BIEB Cc1cccc(/N=C\c2cc(C)c(O)c(C)c2)c1 108204442 GPFONPABIJQKTB-YVLHZVERSA-N 239.318 4.068 30 40 BIEB [N-]=[N+]=Nc1ccnc2c(C(F)(F)F)cccc12 16942226 SCWGAAXMJNOHMW-UHFFFAOYSA-N 238.172 4.195 30 40 BIEB CCCCCCCCc1ccc(/C=N/O)cc1 100667941 KMDGRFHBNQSIHN-DTQAZKPQSA-N 233.355 4.398 30 40 BIEB C=CCOc1cccc(/C=N\c2ccccc2)c1 409218621 WIAAVPZZOPOTME-LGMDPLHJSA-N 237.302 4.002 30 40 BIEB CC(C)=C1CC[C@@H](C)/C(=C/c2ccccc2)C1=O 13405184 JWNCZXHFZOKMGP-YYTPVVGHSA-N 240.346 4.405 30 40 BIEB CC(/C=C/c1ccccc1)=N\c1ccccc1 16979047 SWZIFMPZYZSWMD-MIFVOYFBSA-N 221.303 4.492 30 40 BIEB O=C(/C=C\c1ccccc1)c1ccc(C2CC2)cc1 32265060 FXMOMWYQTBCQPX-MLPAPPSSSA-N 248.325 4.460 30 40 BIEB CCCC/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 13404181 MHLPLEGMHZLGAN-SEOWSWFZSA-N 220.356 4.128 30 40 BIEB CCOc1cccc(/C=N\c2ccc(C)cc2)c1 409208591 CSTLRYRTKRVCDV-ATVHPVEESA-N 239.318 4.144 30 40 BIEB CC(=O)/C=C1/CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C 100094931 WXETUDXXEZHSCS-MAVITOTKSA-N 246.394 4.374 30 40 BIEB N#CC1(c2cc(Cl)cc(Cl)c2)CCCC1 260271373 XLFUKEUBACMYGG-UHFFFAOYSA-N 240.133 4.329 30 40 BIEB C=C(C)C[C@H](NCc1ccco1)c1ccccc1 355905 HDQGWBOCKCPGSN-INIZCTEOSA-N 241.334 4.077 30 40 BIEB C[C@@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)C1 3258062 ODSJQBGDFWSSCU-WJEYQPDNSA-N 234.726 4.113 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccc(C)o2)c(C)c1 71977108 RYJRCSLJCVRHPQ-VQHVLOKHSA-N 240.302 4.101 30 40 BIEB CCCCC#Cc1cc(F)cc(Cl)c1 95633317 SPBMKXGLILUEHV-UHFFFAOYSA-N 210.679 4.021 30 40 BIEB Cc1cc(/N=C/c2ccccc2O)ccc1Cl 100037311 NEIFGPYIVUHZGZ-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB CC(C)c1ccc(/C=C2\CCCCC2=O)cc1 1735414 YIVMYXSUOIAOJK-RVDMUPIBSA-N 228.335 4.337 30 40 BIEB C/C(CC(=O)c1ccccc1)=N\c1ccccc1 100059246 OUILAXKWRISQKY-GHRIWEEISA-N 237.302 4.052 30 40 BIEB C=CCCC(=O)c1ccc(OC(C)(C)C)cc1 575357526 IWJNQERMNUXCMQ-UHFFFAOYSA-N 232.323 4.013 30 40 BIEB C=C(Cl)CCc1ccc(Cl)cc1C 953053593 YOGYPCSGAYBSII-UHFFFAOYSA-N 215.123 4.334 30 40 BIEB Cc1ccc(C)c(/C=C2\Cc3ccccc3C2=O)c1 3506172 YNQJQPIZNKTUCO-LFIBNONCSA-N 248.325 4.126 30 40 BIEB Cc1cc(C#N)c(C)n1-c1cccc2ccccc12 223717164 MCTVYXVSRJPGDZ-UHFFFAOYSA-N 246.313 4.119 30 40 BIEB CCCCCCCc1ccc(/C(C)=N\O)cc1 100706994 CQPUGQOEIWWXIY-SSZFMOIBSA-N 233.355 4.398 30 40 BIEB C=C1[C@@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C 100743457 PDSNLYSELAIEBU-SFDCQRBFSA-N 204.357 4.415 30 40 BIEB C=C(C)Cc1c(C)c(C)c(C)c(C)c1C 71795194 QRPAOGHOUWAWKT-UHFFFAOYSA-N 202.341 4.347 30 40 BIEB CCCCCCC#Cc1ccc(F)c(C)c1 101733948 IILKWZUEXXDCHV-UHFFFAOYSA-N 218.315 4.456 30 40 BIEB C=C(Cl)CCc1ccc(C(C)C)cc1 710687238 HBHIPJUKHLLGBD-UHFFFAOYSA-N 208.732 4.495 30 40 BIEB Oc1ccc(/N=C/c2ccc3ccccc3c2)cc1 65008 YNUICXHDIPFGBR-LDADJPATSA-N 247.297 4.296 30 40 BIEB N#C[C@@H](c1ccccc1)c1cccc2ccccc12 1608625 DJHWWEPQEQVCLE-SFHVURJKSA-N 243.309 4.495 30 40 BIEB CCCCC#CCN(CCCC)CCCC 1666144 AECSXMBEZXREIV-UHFFFAOYSA-N 223.404 4.082 30 40 BIEB C=C1CC[C@H]2CO[C@@H]([C@@H]3CCC=C(C)C3)[C@@H]1C2 4025441 NLMXZKLHJBQARC-FPCVCCKLSA-N 232.367 4.104 30 40 BIEB CCCCCCCC(=O)c1ccc(F)cc1 59256141 PLVCSXVDCKBMLB-UHFFFAOYSA-N 222.303 4.369 30 40 BIEB CCCCCCCOc1ccc(Cl)cc1N 100146802 WLBRCKHNFGBXKT-UHFFFAOYSA-N 241.762 4.271 30 40 BIEB CCCCCCC/C=C\C(=O)OCCCC 103836571 DTCZJIDFDTTXSG-QXMHVHEDSA-N 226.360 4.246 30 40 BIEB Fc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 17206741 QCFXPMWONHBKIA-RQZCQDPDSA-N 238.265 4.058 30 40 BIEB C=C(C)C(=O)OCCCCCCCCCC 1577288 GTBGXKPAKVYEKJ-UHFFFAOYSA-N 226.360 4.246 30 40 BIEB biogenic CC(C)=CCC[C@H](C)[C@H]1CCC(C)=CC1=O 13377404 KNOUERLLBMJGLF-UONOGXRCSA-N 220.356 4.294 30 40 BIEB biogenic C=CCCC(=O)c1ccc(Cl)c(Cl)c1 84506960 CXTIJVQPMDVYMN-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB C=C(Br)CCCc1ccccc1F 952958829 UQRLLXYFPBOQNS-UHFFFAOYSA-N 243.119 4.057 30 40 BIEB O=C(/C=C/c1ccc2ccccc2c1)c1ccco1 5669904 WSAXYPRBBGNDPI-CSKARUKUSA-N 248.281 4.329 30 40 BIEB C=CCCCc1cccc(C(F)(F)F)c1 199139581 LSKDHJOWCCGGEQ-UHFFFAOYSA-N 214.230 4.214 30 40 BIEB CCCCCCCCc1ccc(O)c(C=O)c1 100928809 SXIFMUZENYUSFJ-UHFFFAOYSA-N 234.339 4.108 30 40 BIEB CCCCCCCOc1cccc(NC)c1 100042711 OHAHFVKSRNRRGV-UHFFFAOYSA-N 221.344 4.078 30 40 BIEB CCCCCCC/C(=N\O)c1cc(C)ccc1O 100934557 NZEHBNVOUUHCJB-JQIJEIRASA-N 249.354 4.239 30 40 BIEB Cc1ccc(/N=C/c2ccccc2)cc1Cl 2170940 ZOWVTBCOGRWGKZ-MHWRWJLKSA-N 229.710 4.399 30 40 BIEB CCCCC#Cc1cc(Cl)ccc1C 95631728 QIXHSUUFCJOJLN-UHFFFAOYSA-N 206.716 4.190 30 40 BIEB C=C(C)Cc1ccc(Cl)cc1Cl 71795092 PVPLZNFWHBSPDP-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CCCCCC#Cc1ccc(C)c(C)c1 95726978 BKQGOZQADZVEFX-UHFFFAOYSA-N 200.325 4.235 30 40 BIEB CCCCCC/C=C(\O)c1ccccc1N 104114279 REGTVDUAFBYAAT-KAMYIIQDSA-N 219.328 4.138 30 40 BIEB CC/C(C)=N/Nc1nc(-c2ccccc2)cs1 59469 IMYKUKUFCNPNOY-XNTDXEJSSA-N 245.351 4.008 30 40 BIEB CC(C)=CCC[C@H](C)CCC[C@@H](C)C=O 1712094 UEGBWDUVDAKUGA-UONOGXRCSA-N 210.361 4.374 30 40 BIEB CCCC#Cc1ccc(C(C)(C)C)cc1 95631489 OCHFPNROOAYZGU-UHFFFAOYSA-N 200.325 4.136 30 40 BIEB CCCCCC(/C=N/O)=C\c1ccccc1 100688593 QWDRVWBLCXTVJB-LCPPQYOVSA-N 217.312 4.110 30 40 BIEB C=C(C)[C@H]1CC[C@@](C)(C#N)O[C@@H]1c1ccccc1 2116319 DVQNXGZOKQJBCC-OAGGEKHMSA-N 241.334 4.013 30 40 BIEB Cc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 17005196 PZUPPEXDDAFOBN-DHZHZOJOSA-N 236.314 4.200 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccccc2C)cc1 58773692 UFTPGOUCJJGJIE-VAWYXSNFSA-N 236.314 4.200 30 40 BIEB CCCCC[C@H](O)C#Cc1ccc(C(C)C)cc1 95633091 XMIJIHOYJXBWML-KRWDZBQOSA-N 244.378 4.103 30 40 BIEB CC(C)C[C@@](C)(C#N)N=N[C@@](C)(C#N)CC(C)C 256091420 WYGWHHGCAGTUCH-OKILXGFUSA-N 248.374 4.095 30 40 BIEB CCCCC/N=C(C)\C(C)=N\CCCCC 18118948 RUKFKECDGCTUST-VCFJNTAESA-N 224.392 4.289 30 40 BIEB CCCCCCCCc1ccc(CO)cc1 85548070 BDMUFYDWKAAASP-UHFFFAOYSA-N 220.356 4.082 30 40 BIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccco1 100249815 IAFPPONTULDQFV-CXUHLZMHSA-N 243.306 4.168 30 40 BIEB C=CCCC(=O)c1c(C)ccc2ccccc12 575358264 DWGXGVZBFKIWOC-UHFFFAOYSA-N 224.303 4.297 30 40 BIEB CC[C@@H](C)n1c(C#N)ccc1CC1CCCCC1 226023874 MQJMSRHMDKRMQB-CYBMUJFWSA-N 244.382 4.454 30 40 BIEB CCCCCCCCCC=CC(=O)OCC 1912091230 GZXNVYMVJSTRNI-UHFFFAOYSA-N 226.360 4.246 30 40 BIEB C=C(Br)CCc1ccccc1Cl 2567470 MLSNVIQQHNBSOG-UHFFFAOYSA-N 245.547 4.181 30 40 BIEB C=CCOc1c(C(C)C)cc(C#N)cc1C(C)C 1670345 RERCFPGUSTWADJ-UHFFFAOYSA-N 243.350 4.370 30 40 BIEB CCCCCCCCCCCCC#CC#CCO 2556438 BCGQKHORGCDDRI-UHFFFAOYSA-N 248.410 4.297 30 40 BIEB biogenic Cc1ccc(Cl)cc1/N=C\c1cccc(O)c1 409209843 HUWJUIOPFZMPEL-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB Cc1cc(Cl)ccc1Nc1ccc(C#N)cc1 21807027 CAIDMXVMIACSFP-UHFFFAOYSA-N 242.709 4.264 30 40 BIEB in-vitro Cc1cc(Cl)ccc1C#CC(C)(C)Cl 95633429 SKULERDGZSLLOI-UHFFFAOYSA-N 227.134 4.017 30 40 BIEB C=CCC(O)(CC=C)[C@H](CC)CCCC 2045234 QYVAVRYRJOTKEC-CYBMUJFWSA-N 210.361 4.086 30 40 BIEB CCCCCCC#Cc1ccc(C(C)=O)s1 2381191 OSIFEBCQKKXSIS-UHFFFAOYSA-N 234.364 4.273 30 40 BIEB CCCCCCC[C@H](O)CCCCC 2508105 HAIXKKLECRWLIX-CYBMUJFWSA-N 200.366 4.288 30 40 BIEB O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12 4791992 KEZYTIZZNLLCGX-ZHACJKMWSA-N 247.297 4.064 30 40 BIEB C=CCSCCC1=CC[C@H]2C[C@@H]1C2(C)C 4823490 SSVUDRSVVBMRKC-STQMWFEESA-N 222.397 4.288 30 40 BIEB C=CC/C(C#C[Si](C)(C)C)=C/[Si](C)(C)C 197882163 FERUZRLZNAZVQL-SEYXRHQNSA-N 236.507 4.247 30 40 BIEB CCCCCC(=C/c1ccccc1)/C=N/O 17311743 QWDRVWBLCXTVJB-KMUHKHSISA-N 217.312 4.110 30 40 BIEB COc1cccc(/C=N\c2ccc(C)cc2C)c1 105446949 UZHAEGRUBBEYPW-BOPFTXTBSA-N 239.318 4.063 30 40 BIEB CCCCCOc1ccc(C#N)c2ccccc12 2049164 QLIJBZGQLIFSLA-UHFFFAOYSA-N 239.318 4.280 30 40 BIEB C=C1CC[C@H]2CO[C@H]([C@H]3CCC=C(C)C3)[C@@H]1C2 4025437 NLMXZKLHJBQARC-QKPAOTATSA-N 232.367 4.104 30 40 BIEB Cl/C(=N\c1ccccc1)c1ccccc1 17379861 WFOFSUPMQDLYOM-SQFISAMPSA-N 215.683 4.004 30 40 BIEB CC(C)=CC(=O)Sc1cccc2ccccc12 387545 DRTWPULZELASHJ-UHFFFAOYSA-N 242.343 4.425 30 40 BIEB N#CCC[C@@H]1CCCCCCCCCCC1=O 4276922 ODLPPPHRABBMTF-AWEZNQCLSA-N 235.371 4.390 30 40 BIEB C[C@H]1CC[C@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C 4567045 XCNWBFCZQCPYPV-JLNYLFASSA-N 222.372 4.064 30 40 BIEB C=C1[C@@H]2CC[C@H]3[C@H]2C(C)(C)CCC[C@]13C 100743455 PDSNLYSELAIEBU-PWNZVWSESA-N 204.357 4.415 30 40 BIEB C=CCCCCCCOCc1ccccc1 43505084 UFKYSJJDMSXCBR-UHFFFAOYSA-N 218.340 4.340 30 40 BIEB Cc1cccc(C(=O)/C=C/c2sccc2C)c1 71977175 YORBWMBDHNGMDB-VOTSOKGWSA-N 242.343 4.261 30 40 BIEB C=CCSc1ccc(CCCC)cc1 95738576 XEIVWURTUJKUCC-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB Cc1ccc(/C=N/c2ccc(F)cc2F)cc1 100141125 SOTQESSWSDIJOW-RQZCQDPDSA-N 231.245 4.024 30 40 BIEB C=C(C)CCc1cc(F)cc(Br)c1 699967879 CQDVVYYFDQJXMX-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB CC(C)[C@H]1CC[C@@H](C)c2cc(C#N)c(=S)[nH]c21 6764090 FIWCLPAJSTVJDF-MWLCHTKSSA-N 246.379 4.253 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccccc2Cl)o1 71977046 GWXXPGLUBSHFHP-CMDGGOBGSA-N 246.693 4.138 30 40 BIEB N#CC1(c2ccc(-c3ccccc3)cc2)CCC1 84518209 PKJFKQGOLUQZKZ-UHFFFAOYSA-N 233.314 4.299 30 40 BIEB CCCCCCCCCCCC(N)=S 59894726 ZFYXIWVLZSNNCG-UHFFFAOYSA-N 215.406 4.193 30 40 BIEB CCCCCCCCC1CCC(N)CC1 1673768 DPNMVLWEYXMENO-UHFFFAOYSA-N 211.393 4.255 30 40 BIEB CCCCCCCCCC/C=C/C(=O)O 1693736 GQVYBECSNBLQJV-VAWYXSNFSA-N 212.333 4.158 30 40 BIEB biogenic,in-vitro CC(=O)C1=C(C)[C@@H]2C[C@]3(C)C[C@H](C3(C)C)[C@]2(C)C1 104322288 JWDJXTIVABYRID-XOSAIJSUSA-N 246.394 4.374 30 40 BIEB C=CC[C@@H](Nc1ccco1)c1ccccc1 355866 HFOXDWQEQRXDBQ-CYBMUJFWSA-N 213.280 4.009 30 40 BIEB C=C(Cl)Cc1ccc(Br)c(C)c1 1848444271 PSHAOAXXPCQQIY-UHFFFAOYSA-N 245.547 4.053 30 40 BIEB [N-]=[N+]=Nc1c2c(nc3ccccc13)CCCC2 16942305 CORMUIBFOYDOPS-UHFFFAOYSA-N 224.267 4.055 30 40 BIEB C=C(Cl)Cc1ccc(CCCC)cc1 71795049 REHZOZGNBUXYAI-UHFFFAOYSA-N 208.732 4.324 30 40 BIEB Cc1ccc(/N=C\c2ccc(F)cc2)c(C)c1 100227731 QPZSLRMPDKYJSH-YVLHZVERSA-N 227.282 4.193 30 40 BIEB N#CCCCCOc1c(Cl)cccc1Cl 49579584 LTSAOVGJHBTTNG-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB CC(C)=CC(=O)c1cccc(Cl)c1Cl 169147047 JGXVAKRKBSCODJ-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB CC(C)c1ccc(C#Cc2ccccc2)cc1 2245498 QBXXZVJBLQHZRV-UHFFFAOYSA-N 220.315 4.210 30 40 BIEB C=C[C@@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2 12656745 HRELBTTXSJQRTI-QLFBSQMISA-N 218.340 4.001 30 40 BIEB biogenic Oc1c(C=Nc2ccccc2)ccc2ccccc12 260840661 WIUBTEMXECBJSY-UHFFFAOYSA-N 247.297 4.296 30 40 BIEB C/C=C/C(=O)c1cccc(-c2ccccc2)c1C 575242994 NTKXKGBXJVEEGT-FPYGCLRLSA-N 236.314 4.421 30 40 BIEB COc1ccccc1/C=N/c1cccc(C)c1C 5419216 WZJXVVKCLSVVCY-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB C=CCCc1ccc(Cl)c(Cl)c1 71795254 QETKIMLDLBSQAG-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CCCCCCCCn1cnc2ccccc21 2266763 JSSQYTBESFITPK-UHFFFAOYSA-N 230.355 4.397 30 40 BIEB CC1(C)/C(=C/c2ccccc2)C(=O)c2ccccc21 16973008 KGQHTMOZOPSKTH-FOWTUZBSSA-N 248.325 4.244 30 40 BIEB CC(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1633194 QHYGIPBTAZKCSI-GQCTYLIASA-N 243.133 4.232 30 40 BIEB C#C[C@@]1(C)CC[C@@H](C(=C)C)[C@@H](c2ccccc2)O1 3881678 KMULJELYGAFWKQ-BBWFWOEESA-N 240.346 4.122 30 40 BIEB CC(/C=C\c1ccccc1)=N\Nc1ccccc1 17106692 ZIKCEPRFGILSQT-XGTYQIHLSA-N 236.318 4.188 30 40 BIEB CC(C)=CCC/C(C)=C\CC/C(C)=N\O 20169338 BFBMAYWZMKDZFY-PVFXFQJZSA-N 209.333 4.309 30 40 BIEB CC(C)CCC[C@H](C)CC1=C(O)CCC1=O 100236147 PBNJJASTGCMFJN-NSHDSACASA-N 224.344 4.014 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccccc2C)s1 57903870 XUQBFIFFXJPHQH-MDZDMXLPSA-N 242.343 4.261 30 40 BIEB Cc1ccc(C#Cc2ccc(Cl)c(F)c2)cc1 95633382 VCVKPXNPGLLIJH-UHFFFAOYSA-N 244.696 4.187 30 40 BIEB C=C(C)Cc1ccc(SC(F)(F)F)cc1 1848444251 JLDLWZLVHWUIOT-UHFFFAOYSA-N 232.270 4.417 30 40 BIEB CCCCCCCCC[C@H](C)CC(=O)O 2578907 KZNOWILOENIYSH-LBPRGKRZSA-N 214.349 4.238 30 40 BIEB C=C1CCC[C@@]2(C)Cc3occ(C)c3C[C@@H]12 33833584 TYPSVDGIQAOBAD-ZFWWWQNUSA-N 216.324 4.049 30 40 BIEB C=C(C)CCc1ccc(SCC)cc1 953019843 ILVVAUBYPBTBRV-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB C=C(C)CCc1ccccc1OC(F)(F)F 1848444270 PQKLOEAHGJXVNZ-UHFFFAOYSA-N 230.229 4.094 30 40 BIEB N#CC1(c2ccccc2C(F)(F)F)CCCC1 34492877 SVJJFRNADDBCFR-UHFFFAOYSA-N 239.240 4.041 30 40 BIEB CCCCCCCCC(OCC)OCC 85493576 RJMSGTVQHHFVLK-UHFFFAOYSA-N 216.365 4.136 30 40 BIEB biogenic,in-vitro C=CCc1cccc(Oc2ccccc2)c1 140332362 XMAGKKIOACBZPL-UHFFFAOYSA-N 210.276 4.207 30 40 BIEB C(/C=C/Nc1ccccc1)=N/c1ccccc1 95644703 ZFYNTCNECVPHDZ-NNLXQCSXSA-N 222.291 4.015 30 40 BIEB C[C@H]1CCCC[C@H]1[C@@](C)(C#N)Nc1ccccc1 5124693 LZSMQPUMOCDTML-NUEKZKHPSA-N 242.366 4.207 30 40 BIEB Cc1ccc(C(=O)/C=C/c2sccc2C)cc1 5380444 RBRXCMBVKAZLCI-BQYQJAHWSA-N 242.343 4.261 30 40 BIEB Cc1ccccc1/C=N/c1cccc(C)c1C 8570790 YCBPXJPJHOUAJG-GZTJUZNOSA-N 223.319 4.362 30 40 BIEB C[C@@H](S)c1ccc(OCc2ccccc2)cc1 20476662 IFGHYVJFZJBXLA-GFCCVEGCSA-N 244.359 4.256 30 40 BIEB CC(C)c1ccc(/C=C/C(=O)c2ccco2)cc1 71977206 MGNVBSPLJGUYIN-JXMROGBWSA-N 240.302 4.299 30 40 BIEB C=CC[C@H](NCc1cccs1)c1ccccc1 355885 SXNMMABRSVCDEY-HNNXBMFYSA-N 243.375 4.155 30 40 BIEB CCCCCCCCc1ccc(CN)cc1 2524630 DHTAZFYWZBSXHJ-UHFFFAOYSA-N 219.372 4.048 30 40 BIEB in-vitro CCCCCCCCC#CCN1CCCCC1 100925862 VFCRIUXWWHOGDQ-UHFFFAOYSA-N 235.415 4.226 30 40 BIEB N#C[C@H](c1ccccc1Cl)C1CCCC1 16449433 VKTVFZCGVHNBCB-LBPRGKRZSA-N 219.715 4.137 30 40 BIEB C=CCc1ccc(OCCC(C)C)c(Cl)c1 95732236 PHIGRIPZMQCMKB-UHFFFAOYSA-N 238.758 4.493 30 40 BIEB FC(F)=C(F)/C(F)=C(\F)C(F)=C(F)F 137841128 ZSUMCLJAVFCPFL-OWOJBTEDSA-N 224.050 4.292 30 40 BIEB C=C[C@@](C)(O)CCC=C(C)CCC=C(C)C 1857742975 FQTLCLSUCSAZDY-OAHLLOKOSA-N 222.372 4.396 30 40 BIEB C=CCOc1c(CCC)cc(C#N)cc1CCC 1670330 DQYKGGDGJPMQRG-UHFFFAOYSA-N 243.350 4.028 30 40 BIEB CC(C)=CCC/C(C)=C/CC(C)(C)C=O 2101762 WNMULXZVYDQAHP-UKTHLTGXSA-N 208.345 4.294 30 40 BIEB biogenic CC(/C=N/Nc1ccccc1)=C\c1ccccc1 5612458 PRMXHQDIIIIVFZ-SWZGKVDCSA-N 236.318 4.188 30 40 BIEB CCCCCCCCC/C=C/C(=O)OCC 85659590 GZXNVYMVJSTRNI-OUKQBFOZSA-N 226.360 4.246 30 40 BIEB endogenous,in-man CCCCCCCCCCC/C=N\N(C)C 104155747 CDYMYZNZWGQVCS-PFONDFGASA-N 226.408 4.455 30 40 BIEB CCCCCCCC(=O)OCC(CC)CC 1608739 FKCFSNLCWYKYCS-UHFFFAOYSA-N 228.376 4.326 30 40 BIEB C#Cc1cccc(NCc2cc3ccccc3o2)c1 20085186 AJXOSFJBTHGCDO-UHFFFAOYSA-N 247.297 4.026 30 40 BIEB C=CCc1cc(F)c(OCCC(C)C)c(F)c1 95732148 AHICNPPQYPGAOX-UHFFFAOYSA-N 240.293 4.118 30 40 BIEB CCCCCCC[n+]1cccc2ccccc21 3168172 RMOPMVQPLLAXRT-UHFFFAOYSA-N 228.359 4.098 30 40 BIEB COc1ccc(/C=N\c2ccc(Cl)cc2)cc1 17860607 WREIZRNCBYSYQW-YBEGLDIGSA-N 245.709 4.099 30 40 BIEB CC(C)CC#Cc1ccc(C(C)(C)C)cc1 95631507 KVBKLVPAKSAEGQ-UHFFFAOYSA-N 214.352 4.382 30 40 BIEB C=C(C)CCC[C@H](C)CCN(N)c1ccccc1 3845683 VTVQLGZRIZUCOQ-HNNXBMFYSA-N 246.398 4.139 30 40 BIEB biogenic Cc1ccc(C#N)c(Sc2ccccc2)c1 51598535 ISPCPKAHVMDZMO-UHFFFAOYSA-N 225.316 4.018 30 40 BIEB in-vitro Cc1ccc(C#Cc2cccc(C)c2C)cc1 95632038 TTZMQSIBTSOPII-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB CCC/C(=N\c1ccccc1)SCC 104218032 UWUDNZHWOOEBGE-OUKQBFOZSA-N 207.342 4.270 30 40 BIEB C=C(C)COc1ccc(Nc2ccccc2)cc1 1601015 QFSJMACWFHXBGY-UHFFFAOYSA-N 239.318 4.385 30 40 BIEB C=C(Br)CCc1cccc(Cl)c1 2567471 VHHKXDWOJGCCFA-UHFFFAOYSA-N 245.547 4.181 30 40 BIEB C=C(C)C[C@@H]1Cc2ccccc2[C@@H](CC(=C)C)N1 5517844 WQSFWWQSUZOVRQ-NVXWUHKLSA-N 241.378 4.174 30 40 BIEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1C 408786992 ZEPYVDCITBQVFN-SXGWCWSVSA-N 246.741 4.046 30 40 BIEB C=C1CC[C@H]2CO[C@H]([C@@H]3CCC=C(C)C3)[C@@H]1C2 4025438 NLMXZKLHJBQARC-KLHDSHLOSA-N 232.367 4.104 30 40 BIEB CC(C)=CCC[C@@]1(C)C=CC2=C(CCCC2=O)O1 26897570 KVABLNSGPPDNJB-INIZCTEOSA-N 246.350 4.085 30 40 BIEB Cc1cc(Cl)ccc1C#Cc1ccccc1 95633413 YZRJQXSOYGNEPT-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB C=CC[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 355903 KWKSNHQEOUOGQF-DZGCQCFKSA-N 241.334 4.248 30 40 BIEB C=C(CC(Cl)(Cl)Cl)c1ccccc1 66055310 JNHUFDXYWPRKLK-UHFFFAOYSA-N 235.541 4.460 30 40 BIEB N#Cc1ccc(Oc2ccc(F)cc2)cc1Cl 61851378 VLUJQOGXUCYHDS-UHFFFAOYSA-N 247.656 4.143 30 40 BIEB CCCCCCCC(=O)c1cccs1 2510299 QRJZCQOLJVIBDE-UHFFFAOYSA-N 210.342 4.291 30 40 BIEB Cc1ccc(SCc2ccccc2C#N)cc1 5324377 CWNLNKYVOYOUDR-UHFFFAOYSA-N 239.343 4.159 30 40 BIEB CC(C)/C=N/c1ccc(Cl)c(Cl)c1 17299195 AEDMBMRMSWQSIM-AWNIVKPZSA-N 216.111 4.352 30 40 BIEB CCCCC#Cc1ccc(OC(C)(C)C)cc1 95631433 UGGWCBGYCMYLIX-UHFFFAOYSA-N 230.351 4.406 30 40 BIEB Cc1ccc(C#Cc2cc(C)cc(C)c2)cc1 95633056 QSEFKUHFCLDBKY-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB c1ccc2sc(NN=C3CCCCC3)nc2c1 1470587 XHQBZWCZBAWYSG-UHFFFAOYSA-N 245.351 4.028 30 40 BIEB Cc1ccc(O)c(/C=N/c2ccc(Cl)cc2)c1 5362581 VPPOTUNJKZRJSB-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB C=C(Br)CCc1cc(C)ccc1C 71795106 PFLVYMITVWFOTB-UHFFFAOYSA-N 239.156 4.145 30 40 BIEB CCCCCCCCNCc1ccc(OC)cc1 100042577 UKKOXMAHWGRUCH-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB CCCCCCCCCC(S)S 114881475 WXZKPELXXQHDNS-UHFFFAOYSA-N 206.420 4.313 30 40 BIEB N#Cc1cccc(-c2ccc(-c3ccccc3)o2)c1 1758950 PEJLPJGXTKMLMU-UHFFFAOYSA-N 245.281 4.485 30 40 BIEB CCCCCCCCCCC/C=N/N(C)C 104155749 CDYMYZNZWGQVCS-CCEZHUSRSA-N 226.408 4.455 30 40 BIEB C/C=C\C=C\COC(=O)CCCCCCCC 104158406 HWNWEONGYFTLME-XWBYBSRJSA-N 238.371 4.413 30 40 BIEB CC(C)(C)c1ccc(C#C[Si](C)(C)C)cc1 196799579 FXFJSCFFKOYWCH-UHFFFAOYSA-N 230.427 4.213 30 40 BIEB CCCCCCCCCC[C@@H]1OC[C@@H](C)O1 1595732 ZOJCTKZSRSUPTO-ZIAGYGMSSA-N 228.376 4.279 30 40 BIEB endogenous,in-man C=C(C)CCc1ccc(F)cc1Br 699946937 RVIOCNVATVSXSB-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB CCCCCCCNCc1cccc(OCC)c1 100027345 AHMIXBQUSRIHGW-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB CCCCCSc1nc(C)c(C)c(C)c1C#N 3269620 WHYCSWGGJRUZRA-UHFFFAOYSA-N 248.395 4.161 30 40 BIEB C=CCc1ccccc1Oc1ccccc1 32209413 WLSWGCQKNKECQK-UHFFFAOYSA-N 210.276 4.207 30 40 BIEB C=C[C@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2 4026382 HRELBTTXSJQRTI-KFWWJZLASA-N 218.340 4.001 30 40 BIEB N#Cc1cccc2cccc(-c3ccccc3)c12 71256912 CHDKFIVPOIMHRF-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB C/C(=N/N=C(/C)c1cccs1)c1cccs1 270783 CVPWLODMVVPHSM-FOIMCPNXSA-N 248.376 4.043 30 40 BIEB COc1ccccc1/N=C/c1ccccc1Cl 4745019 VPBQMDWOKRTOJQ-MHWRWJLKSA-N 245.709 4.099 30 40 BIEB C=C(C)CCCCCOCc1ccccc1 43502351 WUIKXOMBRUPAHS-UHFFFAOYSA-N 218.340 4.340 30 40 BIEB CC(C)CC#Cc1ccc(Cl)c(Cl)c1 95633492 KULLWXNPBKDOJN-UHFFFAOYSA-N 227.134 4.391 30 40 BIEB CC(C)C[C@@](C)(C#N)/N=N\[C@@](C)(C#N)CC(C)C 100005001 WYGWHHGCAGTUCH-BDIVNLMLSA-N 248.374 4.095 30 40 BIEB C/C(=N\O)[C@H]1CCC2=C(C1)C(C)(C)CCC2 100811302 AZPZKPRJFWWRRZ-XBUHWIKASA-N 221.344 4.143 30 40 BIEB CCCCCCCCCCCCNNCCC 60107866 MGSYDHMIPNKNMM-UHFFFAOYSA-N 242.451 4.412 30 40 BIEB CCCCCCCCOc1ccc(C)cc1N 103465496 MRNUJDRSZULPSE-UHFFFAOYSA-N 235.371 4.317 30 40 BIEB C=C(C)C(=O)c1cc(Cl)cc(Cl)c1Cl 307051546 JBDACIHSMUVVIJ-UHFFFAOYSA-N 249.524 4.406 30 40 BIEB C=C(C)Cc1ccc(Cl)c(Cl)c1 71795246 BYEPUSVEXPCAKZ-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CC(C)=CCCC1=CC[C@@H](/C(C)=N/O)CC1 100741666 XQJQANVTFLIWRG-FQZGENGWSA-N 221.344 4.309 30 40 BIEB biogenic CCCCCCCC#Cc1ccc(N(C)C)cc1 101734865 OSFNDKOITGMOCB-UHFFFAOYSA-N 243.394 4.465 30 40 BIEB FC(F)(F)P(C(F)(F)F)C(F)(F)F 95696971 MXLDRFIVBLWESA-UHFFFAOYSA-N 237.989 4.028 30 40 BIEB COc1ccccc1/C=N/c1ccc(C)cc1C 3100031 UPRMXDLSZZTING-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB CCCCCCC#Cc1ccc(OC)c(F)c1 101733749 FXQCSJQLFJANIA-UHFFFAOYSA-N 234.314 4.156 30 40 BIEB CCCCCCCCCCCCCC(=O)NO 72141055 XHKBEIYZVFBVAM-UHFFFAOYSA-N 243.391 4.193 30 40 BIEB CC(C)CC/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366402 DTJZROOJTHRHMV-KANSDYPASA-N 234.383 4.374 30 40 BIEB Cc1cc(C)c(C#Cc2ccccc2)cc1C 95633863 VAIFNBLRNBNXPL-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB O=C1CCCCC/C1=C\c1ccc(Cl)cc1 1651684 VDOMQGYNIKEPNX-ZRDIBKRKSA-N 234.726 4.257 30 40 BIEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1C 408785003 FDODSKVKXQDGHW-SXGWCWSVSA-N 246.741 4.046 30 40 BIEB Cc1ccc(/N=C/c2ccccc2C)c(C)c1 5542268 YGWFJCNFNRHLOZ-GZTJUZNOSA-N 223.319 4.362 30 40 BIEB CCCCC#Cc1ccccc1OC(F)(F)F 95633917 RHUXCELPHNQWFY-UHFFFAOYSA-N 242.240 4.127 30 40 BIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\c1ccccc1 100098103 OIQXFRANQVWXJF-WFDCWPTHSA-N 240.346 4.095 30 40 BIEB C=C(CSc1ccccc1)c1ccccc1 1595576 UEXBJNSDJRKBFO-UHFFFAOYSA-N 226.344 4.492 30 40 BIEB C=CCc1ccc(-c2ccccc2)c(F)c1 95902359 GPKLDJRWHDLTGE-UHFFFAOYSA-N 212.267 4.221 30 40 BIEB C=C(C)C[C@@H](Nc1ccccc1)c1ccco1 355916 MFBSQOXSUKTXAF-CQSZACIVSA-N 227.307 4.399 30 40 BIEB C=CCN(CC=C)Cc1cccc2ccccc12 4546633 GTAFFVPMSOPZBG-UHFFFAOYSA-N 237.346 4.014 30 40 BIEB CC/C=C\CCOC(=O)CCCCCCC 103622079 DYIDDAHHUMHEEQ-VURMDHGXSA-N 226.360 4.246 30 40 BIEB Cc1c(/C=N\c2ccccc2)c2ccccc2n1C 408859603 VPDPWQJTSORVHN-PDGQHHTCSA-N 248.329 4.237 30 40 BIEB C=C(C)Cc1ccccc1OCc1ccccc1 43502357 DCBTVNHHOIEBKD-UHFFFAOYSA-N 238.330 4.384 30 40 BIEB C#C[C@@]1(C)CC[C@@H](C(=C)C)[C@H](c2ccccc2)O1 100823732 KMULJELYGAFWKQ-ULQDDVLXSA-N 240.346 4.122 30 40 BIEB CCCCCCCC(=O)[C@H]1CCOC(C)(C)C1 1774986 MGFXQQFJSMMZKA-ZDUSSCGKSA-N 240.387 4.121 30 40 BIEB biogenic C=C(C)CCc1ccc(F)c(Br)c1 699944391 AEUSSQHIYXBEJL-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB O=C1C=C2CCCCCCCCC[C@H](C1)C2 5382518 XCKBJVCJBDJVRN-AWEZNQCLSA-N 220.356 4.416 30 40 BIEB C=CCc1ccccc1SCC(C)C 95731237 FGGWCKZVQBDZPW-UHFFFAOYSA-N 206.354 4.163 30 40 BIEB C=C(C)CCc1cc(Br)ccc1F 699946507 PBLHGTMXTCHKMR-UHFFFAOYSA-N 243.119 4.097 30 40 BIEB CCCCCCCCOCc1cccc(N)c1 59083070 XEFBWLJBKZJSDY-UHFFFAOYSA-N 235.371 4.146 30 40 BIEB in-vitro Cc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)o1 71977192 LDWHJNZFEMGHJG-CMDGGOBGSA-N 240.302 4.101 30 40 BIEB CCCCCCCCC[C@@H]1OCC[C@H](C)O1 100301446 DRHWPDCYULTYSA-UONOGXRCSA-N 228.376 4.279 30 40 BIEB C=C(C)Cc1ccccc1-c1ccccc1 71795151 RJYAJPAFNXFGNM-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB Cc1ccccc1C(=O)/C=C/c1ccc(F)cc1 57903855 HMGOSFMFQOUJDP-DHZHZOJOSA-N 240.277 4.030 30 40 BIEB CCCC[C@@H](CC)C/N=C/c1ccc(OC)cc1 17013606 KMOAOJBEOKSOEB-INQVIGDZSA-N 247.382 4.331 30 40 BIEB CCC[C@H](C#N)C12CC3CC(CC(C3)C1)C2 4601255 WOVOGVXPAVNNRD-WRHSUISWSA-N 217.356 4.143 30 40 BIEB Cc1ccc(/N=C2\CCc3ccccc3N2)cc1 16662356 DSRZSUVDGCYFCT-UHFFFAOYSA-N 236.318 4.083 30 40 BIEB CC(C)(C)c1ccc(C#Cc2ccccc2)cc1 95631476 MNMXMEZTNDLNIU-UHFFFAOYSA-N 234.342 4.384 30 40 BIEB CC1(C)[C@H]2CC[C@@]1(C)C=C2C(=O)c1ccccc1 104134236 HLSKQRKUUYVUFW-YOEHRIQHSA-N 240.346 4.252 30 40 BIEB N#CCc1c2ccccc2cc2ccccc12 1763650 MUTCNFLGBMSLTA-UHFFFAOYSA-N 217.271 4.059 30 40 BIEB CC1(C)[C@@H]2CC[C@]1(C)C=C2C(=O)c1ccccc1 104134228 HLSKQRKUUYVUFW-RHSMWYFYSA-N 240.346 4.252 30 40 BIEB CCCCCCCCCCSC(=O)NC 1618955 IRBDYFXHROCYNN-UHFFFAOYSA-N 231.405 4.200 30 40 BIEB C=CCCc1cc(Cl)ccc1Cl 71795087 URSIIJHDACKFGY-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CC(C)(Cl)C#Cc1cc(Cl)cc(Cl)c1 95632915 BWJXXRGWHOAEBI-UHFFFAOYSA-N 247.552 4.362 30 40 BIEB C=C1C[C@H](C)O[C@H]([C@H]2CC=C(C)C[C@@H]2C)C1 5358211 UKORLSVQLXXHOC-AJNGGQMLSA-N 220.356 4.103 30 40 BIEB C=CC[C@@H](NCc1cccs1)c1ccccc1 355887 SXNMMABRSVCDEY-OAHLLOKOSA-N 243.375 4.155 30 40 BIEB C=CCc1cc(CC=C)c(C)c(CC=C)c1 1627196 PWQINZIZAPLGCS-UHFFFAOYSA-N 212.336 4.181 30 40 BIEB C/C(=C/C=N/C(C)(C)C)C[Si](C)(C)C 195751512 BOLUBIYKJJKYQE-ZXXZFBTCSA-N 211.425 4.140 30 40 BIEB C=C[C@H]1O[C@H]2CCCC[C@H]2C2=C1CCCC2 4026380 HRELBTTXSJQRTI-ZNMIVQPWSA-N 218.340 4.001 30 40 BIEB Cc1ccc(C#Cc2ccc(C)c(C)c2)cc1 95633616 SUJUXEUKGIBPQX-UHFFFAOYSA-N 220.315 4.012 30 40 BIEB CCCCCCC#Cc1ccc(F)cc1C 101733875 VRWFHBUYYFPSJR-UHFFFAOYSA-N 218.315 4.456 30 40 BIEB C=C(Cl)Cc1ccc(SCC)cc1 43208774 UCTPVWFUEQWFIB-UHFFFAOYSA-N 212.745 4.094 30 40 BIEB C=C(Br)CCCc1cccc(F)c1 85650685 WYWSMYGGHBMJIW-UHFFFAOYSA-N 243.119 4.057 30 40 BIEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/c1ccccc1 100668894 DGSSDYANFLGMLT-YZTBUCIPSA-N 225.335 4.381 30 40 BIEB Cc1cccc(/C=C2\CCc3ccccc3C2=O)c1 3477126 BGJTZTAWZAQBGJ-FOWTUZBSSA-N 248.325 4.208 30 40 BIEB N#Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 20134628 UOLKQQFWCBUSPM-UHFFFAOYSA-N 238.073 4.125 30 40 BIEB Cc1ccsc1/C=N/c1ccc(Cl)cc1 46434 RYWMGTXQNYKFIY-RIYZIHGNSA-N 235.739 4.461 30 40 BIEB CCCC1CCC(c2ccc(C#N)cn2)CC1 246214 JNFDUXUAGWZHMX-UHFFFAOYSA-N 228.339 4.027 30 40 BIEB Cc1ccccc1[C@H](S)c1ccccc1 39647749 BPAXNYHYMGVJPX-CQSZACIVSA-N 214.333 4.014 30 40 BIEB C[C@H](CC(=O)C#Cc1ccccc1)CC(C)(C)C 382635672 BWSDQVPYKIUKBC-CQSZACIVSA-N 242.362 4.070 30 40 BIEB N#C[C@@H](c1ccc(Cl)cc1)C1CCCC1 41233693 PCXHCCAVRJLNSD-CYBMUJFWSA-N 219.715 4.137 30 40 BIEB CCc1ccc(/N=C/c2ccccc2C)cc1 100278510 YLMMQBATZYXQMH-SFQUDFHCSA-N 223.319 4.308 30 40 BIEB N#CCCCCSc1ccnc2ccccc12 89866676 JUWBDVWOATZRDS-UHFFFAOYSA-N 242.347 4.021 30 40 BIEB C=CCN(Cc1cccc(Cl)c1)C1CCCC1 48286893 JGOPHEDJKPTPFG-UHFFFAOYSA-N 249.785 4.271 30 40 BIEB C=C(Cl)Cc1cccc(C(F)(F)F)c1 71795174 AQKDDNDWESQIEK-UHFFFAOYSA-N 220.621 4.000 30 40 BIEB CC(C)=C1C/C=C(/C)CC/C=C(/C)CC1=O 100152349 CAULGCQHVOVVRN-SVGXSMIJSA-N 218.340 4.359 30 40 BIEB biogenic,in-vitro Cc1cc(C#N)c(C)n1-c1ccc2ccccc2c1 223717413 OVPIVFNIQVNSEV-UHFFFAOYSA-N 246.313 4.119 30 40 BIEB C=C(C)[C@H]1CC[C@H](C)O[C@H]1c1ccccc1 3881683 XIOOYALQQNYIFZ-CFVMTHIKSA-N 216.324 4.119 30 40 BIEB C=C(C)Cc1ccc(F)c2ccccc12 95902268 IGADVSJRESMELT-UHFFFAOYSA-N 200.256 4.098 30 40 BIEB N#Cc1ccc(Cl)cc1/N=C/c1cccs1 3233538 YYGFXKGVPCLYLP-OVCLIPMQSA-N 246.722 4.024 30 40 BIEB C=CCc1ccccc1C1CCCCC1 95902329 DWRZXHFVTSBHAO-UHFFFAOYSA-N 200.325 4.463 30 40 BIEB CCCCCCCCNCc1ccc(F)cc1 101759805 NGVAQUAJHPVMCQ-UHFFFAOYSA-N 237.362 4.276 30 40 BIEB Cc1ccccc1/N=C\c1ccc(Cl)s1 408965106 GOZGUURZRZODFC-ZSOIEALJSA-N 235.739 4.461 30 40 BIEB CCCP(=O)(CCC)C(C)(C)C/C(C)=N/O 80316409 WZWRMIYTEGBTBN-ACCUITESSA-N 247.319 4.188 30 40 BIEB O/N=C\c1ccc2ccc3cccc4ccc1c2c34 216825299 HGTFSMPWNCYLBE-ZDLGFXPLSA-N 245.281 4.392 30 40 BIEB Cc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 33468935 VJGCPUXZTGFXKL-BJMVGYQFSA-N 240.277 4.030 30 40 BIEB CCCCSc1ccc(Cl)cc1C#N 52859945 RSLUGBJEQIXOPC-UHFFFAOYSA-N 225.744 4.104 30 40 BIEB in-vitro C=C(C)[C@H]1CC[C@](C)(C#N)O[C@H]1c1ccccc1 102805647 DVQNXGZOKQJBCC-OWCLPIDISA-N 241.334 4.013 30 40 BIEB C=CCCCCCN(C)CCCCCC=C 1857787632 PNDWXOMZAKFOFE-UHFFFAOYSA-N 223.404 4.411 30 40 BIEB N#C[C@H](Nc1ccccc1)c1ccc(Cl)cc1 5593465 JQPMXNXHGCKJSP-AWEZNQCLSA-N 242.709 4.017 30 40 BIEB Clc1ccc(/N=C/C#Cc2ccccc2)cc1 16451142 CDXZXOMKTVSAQM-SFQUDFHCSA-N 239.705 4.094 30 40 BIEB CC(C)C(=O)/C=C\c1c(Cl)cccc1Cl 17254206 LMUXWATZTPXMQG-SREVYHEPSA-N 243.133 4.232 30 40 BIEB C=CCn1c2ccccc2c2cc(C(C)=O)ccc21 2486320 VMMCGEUOOWQSIK-UHFFFAOYSA-N 249.313 4.183 30 40 BIEB O=C(/C=C\c1ccco1)c1ccc2ccccc2c1 17425687 MKNALJOPBHUVBL-KTKRTIGZSA-N 248.281 4.329 30 40 BIEB CCCCCCCCCC[C@H]1C[C@H]1C(=O)O 97995863 IPYXSVSAXULIAH-QWHCGFSZSA-N 226.360 4.238 30 40 BIEB CC(C)/C=N\c1ccc(Cl)c(Cl)c1 104350003 AEDMBMRMSWQSIM-MLPAPPSSSA-N 216.111 4.352 30 40 BIEB C=C(Cl)CCCc1ccccc1Cl 953053582 IHQNQWOKLUCCPK-UHFFFAOYSA-N 215.123 4.415 30 40 BIEB CCCCCCCC1(C)OCC(C)(C)CO1 1678011 UZBYPWNLBMIQCC-UHFFFAOYSA-N 228.376 4.136 30 40 BIEB CC(C)=CCCC1=CC[C@@](C)(C=O)CC1 5158704 VUIWFNRBSGUSIN-CQSZACIVSA-N 206.329 4.048 30 40 BIEB biogenic CCCCCCCCCC/C=C\C(=O)O 100022626 GQVYBECSNBLQJV-QXMHVHEDSA-N 212.333 4.158 30 40 BIEB C=CCC(C)(CC=C)c1ccc(C)cc1 59671690 KWDLBRWBCHQHDG-UHFFFAOYSA-N 200.325 4.405 30 40 BIEB in-vitro C=CCc1ccc(OCCCC)c(Cl)c1 95732233 CVHGZIDIYMHTAU-UHFFFAOYSA-N 224.731 4.247 30 40 BIEB Cc1cc(C)c(/N=C\c2cccs2)c(C)c1 100214055 KFHOXIQOAZFKQW-DHDCSXOGSA-N 229.348 4.424 30 40 BIEB C=C(Cl)CCc1ccc(Cl)c(F)c1 710661786 FVWNGKYOTYAWLO-UHFFFAOYSA-N 219.086 4.164 30 40 BIEB N#Cc1ccc2c(c1)C=Cc1ccccc1S2 347335 DPTRYAHKVKGLIC-UHFFFAOYSA-N 235.311 4.193 30 40 BIEB CCCCCCCCCCC(OC)OC 2168244 FBJUQTUWWCVIDH-UHFFFAOYSA-N 216.365 4.136 30 40 BIEB C[C@@H](CC(=O)c1ccccc1C#N)CC(C)(C)C 575361736 AZTCAALKGLQWGP-LBPRGKRZSA-N 243.350 4.203 30 40 BIEB N#C[C@H](Sc1ccccc1)c1ccccc1 173526 LHZILUWPIODFGI-AWEZNQCLSA-N 225.316 4.044 30 40 BIEB CCCCCCCNc1cccc(C)c1 1786573 XYXPHQBMPFJDSI-UHFFFAOYSA-N 205.345 4.377 30 40 BIEB Oc1ccc2ccccc2c1/C=N\c1ccccc1 18156788 MUFLFHJOVXSNBI-PDGQHHTCSA-N 247.297 4.296 30 40 BIEB CCCC/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239784 MHLPLEGMHZLGAN-RORWZZOSSA-N 220.356 4.128 30 40 BIEB C=CC[C@@H](N[C@H](C)c1ccccc1)c1ccco1 3315247 NLXVBBUYEXXZMJ-UKRRQHHQSA-N 241.334 4.248 30 40 BIEB C=CCSCCC1=CC[C@@H]2C[C@H]1C2(C)C 4823493 SSVUDRSVVBMRKC-CHWSQXEVSA-N 222.397 4.288 30 40 BIEB Cc1c(C#N)c2ccccc2c2ccccc12 1872896 NUVAJQXMNDIMFC-UHFFFAOYSA-N 217.271 4.173 30 40 BIEB C[C@H]1CCC/C(=C/Nc2cccc(Cl)c2)C1=O 409181910 GOZFWNFIGPODCL-RGAIUGGKSA-N 249.741 4.025 30 40 BIEB CCCCCCCCNCc1ccccc1F 101759846 ATYZTVIUMIFJKH-UHFFFAOYSA-N 237.362 4.276 30 40 BIEB C=CCCCCCCCC[C@@H]1OCC[C@@H](C)O1 1589795 UCCCJFUKJUIYAE-HUUCEWRRSA-N 240.387 4.445 30 40 BIEB CC(=O)/C(C)=C/C=C(\C)CCC=C(C)C 33953406 PRMAVUPVLGOONQ-JOWSBRCASA-N 206.329 4.214 30 40 BIEB in-vitro CC/C=C/CCOC(=O)CCCCCCC 2000898 DYIDDAHHUMHEEQ-SOFGYWHQSA-N 226.360 4.246 30 40 BIEB C=C(/C(=C/OCC)c1ccccc1)C(F)(F)F 34570828 LCLAHKNLXHCLDM-XFXZXTDPSA-N 242.240 4.183 30 40 BIEB C=CCc1ccc(C2CCCCC2)cc1 95902330 NQQAGZRJRVDCPZ-UHFFFAOYSA-N 200.325 4.463 30 40 BIEB S[C@H](c1ccccc1)c1ccc(Cl)cc1 19803966 APNLWZAGWZJNMY-CYBMUJFWSA-N 234.751 4.359 30 40 BIEB CCCCCCCCC(=O)Nc1ccc(C)cn1 97941751 SHSOYONNLUTHLO-UHFFFAOYSA-N 248.370 4.079 30 40 BIEB C[C@H]1CCC/C(=C/Nc2ccc(Cl)cc2)C1=O 409176403 MMZGLWGRGZKLDV-RGAIUGGKSA-N 249.741 4.025 30 40 BIEB C=CCCC/C=C/CN(CCC)CCC 5430730 VUJHCBNLWSSTLX-ZHACJKMWSA-N 209.377 4.021 30 40 BIEB CC1(C)[C@H]2CC=C(/C=N/c3ccccc3)[C@@H]1C2 3175532 DGSSDYANFLGMLT-TUNZVQQWSA-N 225.335 4.381 30 40 BIEB Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)o1 3897941 ZRRSPUXOCWAQRT-CMDGGOBGSA-N 246.693 4.138 30 40 BIEB O=C(/C=C/c1cccc(Cl)c1)c1ccccc1 4403378 XBFMSIZYORSEPA-MDZDMXLPSA-N 242.705 4.236 30 40 BIEB biogenic CCCC[C@@H](CC)C(=O)c1ccc(F)c(C#N)c1 575361835 MPHLSJXDSKHISP-LLVKDONJSA-N 247.313 4.096 30 40 BIEB COc1cccc(/C=N\c2cc(C)ccc2C)c1 108432228 UQBVQOXZNGXIBG-BOPFTXTBSA-N 239.318 4.063 30 40 BIEB C=C(Br)Cc1ccccc1C(C)C 71795076 ZCEAKCYYEVETHO-UHFFFAOYSA-N 239.156 4.261 30 40 BIEB Cc1ccc(/C(Cl)=N\Nc2ccccc2)cc1 4553960 NCIYWTPIOZOIFT-SAPNQHFASA-N 244.725 4.008 30 40 BIEB C=C(C)Cc1ccc2c3c(cccc13)CC2 95902215 JTIYRZDPEFYZLO-UHFFFAOYSA-N 208.304 4.057 30 40 BIEB CCCCCCCC(=O)Oc1cccc(C)c1 1608750 VPZWDKNEKVKFOJ-UHFFFAOYSA-N 234.339 4.261 30 40 BIEB COc1ccc(/C=N/c2ccc(C)cc2C)cc1 3067859 DRDRPLAHACAFMB-GZTJUZNOSA-N 239.318 4.063 30 40 BIEB C=CCCC(=O)c1ccc(C(C)(C)C)cc1 84483373 VIUVGMOFXSLWGR-UHFFFAOYSA-N 216.324 4.133 30 40 BIEB CCCCCC#Cc1ccc(F)c(C)c1 95726907 GWOSUKFTWAKLFE-UHFFFAOYSA-N 204.288 4.066 30 40 BIEB CCCCCCC#Cc1ccc(OC)c(OC)c1 101733404 MKDGGTQHVRNHOO-UHFFFAOYSA-N 246.350 4.026 30 40 BIEB CCn1c(C)cc(/C=N/c2ccc(F)cc2)c1C 409069134 CCTJBEKQOVRJEL-LICLKQGHSA-N 244.313 4.015 30 40 BIEB C[C@@H]1CCCC[C@H]1[C@@](C)(C#N)Nc1ccccc1 5124692 LZSMQPUMOCDTML-FVQBIDKESA-N 242.366 4.207 30 40 BIEB Cc1cc(F)ccc1C(=O)/C=C/c1ccccc1 575357709 XUNXYOFROAHZFZ-JXMROGBWSA-N 240.277 4.030 30 40 BIEB C=CCCCCCCCCC(=O)OCC(C)C 1874393 YXJSBTYPYXKWDB-UHFFFAOYSA-N 240.387 4.492 30 40 BIEB endogenous,in-man CCCCCC#Cc1ccc(CC)cc1 95726893 LHLSAUZCWURAHZ-UHFFFAOYSA-N 200.325 4.181 30 40 BIEB CCCCCCCC(=O)c1cc(C)ccc1O 100934007 DMGCUJSOWDPZQG-UHFFFAOYSA-N 234.339 4.244 30 40 BIEB CC(C)=CC(=O)c1ccc(Cl)cc1Cl 165722561 IRMIGIDWWSUUEE-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB N#C[C@H](c1ccccc1)c1cccc2ccccc12 2045846 DJHWWEPQEQVCLE-GOSISDBHSA-N 243.309 4.495 30 40 BIEB CCCCCCCCc1ccc(C(=O)O)s1 136704156 HFOJSRSUALRGKG-UHFFFAOYSA-N 240.368 4.349 30 40 BIEB CCc1ccc(/N=C\c2cccc(OC)c2)cc1 409202490 REBYPIXAIPYCNF-ATVHPVEESA-N 239.318 4.008 30 40 BIEB C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 104345917 AXKHZXQWMPAXQC-OPRDCNLKSA-N 219.155 4.173 30 40 BIEB C=C(C)CCc1cccc(OC(F)(F)F)c1 1848444268 OXNZMZLYZLABBN-UHFFFAOYSA-N 230.229 4.094 30 40 BIEB C/C(=N\[C@@H](C)CC(C)C)c1ccc(C)cc1 17301826 PUTQGQUNMQJNFX-YZGLPLCXSA-N 217.356 4.239 30 40 BIEB Cc1ccc(N/N=C/C2=C(Cl)CCC2)cc1 38337939 NNRRVCIMTYFTPM-OQLLNIDSSA-N 234.730 4.070 30 40 BIEB N#C[C@@H](Sc1ccccc1)c1ccccc1 173524 LHZILUWPIODFGI-CQSZACIVSA-N 225.316 4.044 30 40 BIEB C=C(Cl)CCc1ccc(F)c(Cl)c1 710665854 ZYVHWUUZERJEEB-UHFFFAOYSA-N 219.086 4.164 30 40 BIEB Fc1ccccc1/N=C\c1ccc(Cl)s1 408966128 LMRCPUPQMFLLBZ-AUWJEWJLSA-N 239.702 4.291 30 40 BIEB C/C(=N\O)[C@@H]1CCC2=C(C1)C(C)(C)CCC2 100811301 AZPZKPRJFWWRRZ-JXCQQFQQSA-N 221.344 4.143 30 40 BIEB C=C(C)C(=O)c1ccc(SC(F)(F)F)cc1 309189081 MBJAPBOBYDOJIH-UHFFFAOYSA-N 246.253 4.057 30 40 BIEB CC(C)(Cl)C#Cc1ccc(C(C)(C)C)cc1 95631491 YCLXKWQHUNZOAS-UHFFFAOYSA-N 234.770 4.353 30 40 BIEB Cc1ccc(C#Cc2ccc(F)c(Cl)c2)cc1 95632874 UMHPQWFEOHIZGU-UHFFFAOYSA-N 244.696 4.187 30 40 BIEB CCCC#Cc1ccc(Cl)c(Cl)c1 95633473 FYDYKYWOUPPLRK-UHFFFAOYSA-N 213.107 4.145 30 40 BIEB C[S@@+]1C=Cc2ccccc2[C@H]1c1ccccc1 104168535 RDYGJFSWKCQNMJ-SJORKVTESA-N 239.363 4.008 30 40 BIEB C=CCOc1c(Cl)cc(C(C)(C)C)cc1C#N 225292115 PKSIMQBPBKRHLQ-UHFFFAOYSA-N 249.741 4.074 30 40 BIEB O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1 12375852 ABGIIXRNMHUKII-FLIBITNWSA-N 242.705 4.236 30 40 BIEB CCCCCCCCCCCC1=N[C@@H](C)CN1 1600475 YWPDAKSNPWIZOX-AWEZNQCLSA-N 238.419 4.298 30 40 BIEB Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)o1 21669986 IFTJEQDLNUTVJK-VOTSOKGWSA-N 246.693 4.138 30 40 BIEB Cc1ccccc1/C=N/c1ccccc1C 5548977 NNWWMTBKNBYXHB-LFIBNONCSA-N 209.292 4.054 30 40 BIEB C=C1C[C@H](C)O[C@@H]([C@@H]2CC=C(C)C[C@@H]2C)C1 13540460 UKORLSVQLXXHOC-BYNSBNAKSA-N 220.356 4.103 30 40 BIEB CCCCCCC#Cc1ccc(F)cc1 100292476 LZLDTXRHOLXXTL-UHFFFAOYSA-N 204.288 4.148 30 40 BIEB C[C@H](CC(=O)c1ccccc1C#N)CC(C)(C)C 575361735 AZTCAALKGLQWGP-GFCCVEGCSA-N 243.350 4.203 30 40 BIEB Cc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1 16998613 RZQJWYNOZJISEX-VTBWALSUSA-N 248.325 4.447 30 40 BIEB CCCCCCCCCCCC[C@@H](O)CCO 79684764 UGJRMHXEWBBMMN-OAHLLOKOSA-N 244.419 4.041 30 40 BIEB CCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 308801290 LGAFWMLLIBBCRX-PLNGDYQASA-N 238.146 4.176 30 40 BIEB Clc1ccc(/N=C\c2cccs2)cc1 17060046 SEJGFKXSPGDMJQ-JYRVWZFOSA-N 221.712 4.152 30 40 BIEB C#Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 78015034 RYSLGVZYLQPJQH-UHFFFAOYSA-N 236.358 4.136 30 40 BIEB C=C(C)C[C@H]1Cc2ccccc2[C@H](CC(=C)C)N1 5829069 WQSFWWQSUZOVRQ-RDJZCZTQSA-N 241.378 4.174 30 40 BIEB CCCCCCC(=O)/C=C\c1cccc(OC)c1 17119957 AHUDPKGXOBPORO-QXMHVHEDSA-N 246.350 4.248 30 40 BIEB Cc1ccc(/C(Cl)=N/Nc2ccccc2)cc1 27562819 NCIYWTPIOZOIFT-VKAVYKQESA-N 244.725 4.008 30 40 BIEB C[Si](C)(C)C#Cc1ccc(Cl)c(Cl)c1 199900258 MMDZGXFBNJYFID-UHFFFAOYSA-N 243.209 4.222 30 40 BIEB CC1(C)[C@H]2CC[C@]1(C)C=C2C(=O)c1ccccc1 1728917 HLSKQRKUUYVUFW-WMLDXEAASA-N 240.346 4.252 30 40 BIEB O/N=C1/CCCC/C1=C\c1ccc(Cl)cc1 6511958 RJALIFJBMFCTOY-NYWYOEKOSA-N 235.714 4.128 30 40 BIEB C=C(C)[C@H]1CC[C@@](C)(C#N)O[C@H]1c1ccccc1 102805649 DVQNXGZOKQJBCC-PMPSAXMXSA-N 241.334 4.013 30 40 BIEB N#CCC[C@H]1CCCCCCCCCCC1=O 2556214 ODLPPPHRABBMTF-CQSZACIVSA-N 235.371 4.390 30 40 BIEB Cc1ccc(C)c([C@H](S)c2ccccc2)c1 20476560 CXFIOHCROFEUPN-OAHLLOKOSA-N 228.360 4.323 30 40 BIEB C(=C\c1ccccc1)\C=N\c1ccccc1 5124660 RGKOSCNIXIHSDE-YTLDOUCOSA-N 207.276 4.102 30 40 BIEB [N-]=[N+]=Nc1c2ccccc2nc2ccccc12 16952782 BFOMVRGJRFLFCJ-UHFFFAOYSA-N 220.235 4.330 30 40 BIEB C=CCc1cc(F)cc(F)c1OCCC(C)C 95732161 ISNOKKUXNKTOCM-UHFFFAOYSA-N 240.293 4.118 30 40 BIEB CC(CC#N)=C(c1ccccc1)c1ccccc1 1709888 SDNAILYNPRNOIS-UHFFFAOYSA-N 233.314 4.422 30 40 BIEB C=C(Br)CCCCCCC 2567434 ZAQYQDJWWWJWFS-UHFFFAOYSA-N 205.139 4.256 30 40 BIEB C[C@H](C=O)Cc1ccc(C2CCCCC2)cc1 1589927 ZFIVSZPVPRXMEF-ZDUSSCGKSA-N 230.351 4.112 30 40 BIEB CCCCCCC(=O)/C=C\c1ccc(F)cc1 17127879 IYISZZMUSNIDTJ-XFXZXTDPSA-N 234.314 4.378 30 40 BIEB CCCCCCCCc1ccc(O)c(O)c1 64447055 JHMFYGCCBMZPFM-UHFFFAOYSA-N 222.328 4.001 30 40 BIEB CCc1ccccc1C(=O)/C=C/c1ccccc1 204888924 TVQXYNAWVKBRDZ-OUKQBFOZSA-N 236.314 4.145 30 40 BIEB O=C(/C=C\c1cccc(Cl)c1)c1ccccc1 8653266 XBFMSIZYORSEPA-KTKRTIGZSA-N 242.705 4.236 30 40 BIEB C=CCN(c1ccccc1)[C@H](C)c1ccccc1 38418074 UBUPHTTZEHWQHG-OAHLLOKOSA-N 237.346 4.440 30 40 BIEB CCCCCCCSC[N+](C)(CC)CC 1568281 IUFWLSIECJWITH-UHFFFAOYSA-N 232.457 4.134 30 40 BIEB FC(F)(F)c1ccc(/N=C/c2ccco2)cc1 3241646 KQIZOFWXKKZTPO-LZYBPNLTSA-N 239.196 4.049 30 40 BIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\c1ccccc1 100243658 OIQXFRANQVWXJF-JAVQZPJPSA-N 240.346 4.095 30 40 BIEB C=C1C[C@H](C)O[C@H]([C@H]2CC=C(C)C[C@H]2C)C1 5355271 UKORLSVQLXXHOC-QPSCCSFWSA-N 220.356 4.103 30 40 BIEB Clc1ccc(/N=C\c2ccccc2)cc1 18169172 NWCAQYVAHZWHIO-GDNBJRDFSA-N 215.683 4.091 30 40 BIEB Cc1ccc(Cl)cc1/N=C\c1ccccc1 104335679 DKRMRZNDJYUXNE-YBEGLDIGSA-N 229.710 4.399 30 40 BIEB CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 1653027 KEJPWCIDZLVYDJ-UHFFFAOYSA-N 232.367 4.460 30 40 BIEB in-vitro Cc1ccc(/N=C/c2cccs2)cc1Cl 17060050 CPMBSPLTIXTNPV-RIYZIHGNSA-N 235.739 4.461 30 40 BIEB Cc1ccccc1C(=O)/C=C/c1sccc1C 71977134 SIFJUUQSNGWBFM-BQYQJAHWSA-N 242.343 4.261 30 40 BIEB C=C(Cl)CCc1cccc(Cl)c1 2567474 BXAOCCLLVUSNQV-UHFFFAOYSA-N 201.096 4.025 30 40 BIEB CC(C)C[C@H](C)/N=C1/C=CCC[C@@H]1C(C)C 104370320 JVGWTFUPNVXLGT-JHBCDZEYSA-N 221.388 4.484 30 40 BIEB C/C(=N\c1ccc(C)cc1)c1nc2ccccc2[nH]1 348050 JUWITBRMKVWDIF-SFQUDFHCSA-N 249.317 4.012 30 40 BIEB C=CC[C@H]1c2cc3ccccc3cc2C[N+]1(C)C 1247049 LACLQVONNVVZMK-KRWDZBQOSA-N 238.354 4.047 30 40 BIEB CCC[C@H](C#N)c1ccc(Cl)cc1Cl 3299707 XYPQXRDLVRTOAU-MRVPVSSYSA-N 228.122 4.401 30 40 BIEB O=C(/C=C\c1ccccc1)c1ccc(Cl)s1 17302069 RXRRRWWGTQBBHT-SREVYHEPSA-N 248.734 4.298 30 40 BIEB Cc1cc(N=[N+]=[N-])c2ccc(Cl)cc2n1 16942264 LJXWVNKTGOFRKQ-UHFFFAOYSA-N 218.647 4.138 30 40 BIEB CCCCCCCNCc1ccccc1Cl 100027119 AATLHFWCPITESS-UHFFFAOYSA-N 239.790 4.400 30 40 BIEB CCCCCCCC[P@](=O)(O)CCCC 147501341 LVDBPPCKNBZELT-UHFFFAOYSA-N 234.320 4.417 30 40 BIEB CC(C)=CC(=O)c1csc2ccccc12 169161780 FMQOQXVRLOUWPE-UHFFFAOYSA-N 216.305 4.050 30 40 BIEB Oc1ccc2ccccc2c1/C=N/c1ccccc1 96809690 MUFLFHJOVXSNBI-LDADJPATSA-N 247.297 4.296 30 40 BIEB CCCC[C@@H](CC)C/N=C\c1ccc(OC)cc1 104064095 KMOAOJBEOKSOEB-CPZHOGDASA-N 247.382 4.331 30 40 BIEB C=C(C)Cc1c(C)c(Cl)cc(Cl)c1O 1657227 PBLAQVIZITYDSY-UHFFFAOYSA-N 231.122 4.126 30 40 BIEB N#Cc1c(Cl)cccc1Sc1ccccc1 4105083 JOIHPWZUQCSMJJ-UHFFFAOYSA-N 245.734 4.363 30 40 BIEB CCCC[C@H](CC)COc1cscc1C#N 1857791574 JKMJVZOZAJRJMN-NSHDSACASA-N 237.368 4.215 30 40 BIEB CC[C@H](C)c1ccc(/N=C2\CCCCCN2)cc1 2638106 DGLNGHDXGACKTI-ZDUSSCGKSA-N 244.382 4.394 30 40 BIEB C=CC[C@H](N[C@@H](C)c1ccccc1)c1ccco1 3315241 NLXVBBUYEXXZMJ-ZFWWWQNUSA-N 241.334 4.248 30 40 BIEB CC(C)n1c(C#N)ccc1CC1CCCCC1 226024078 CVCHBUZGMLSGSZ-UHFFFAOYSA-N 230.355 4.063 30 40 BIEB Cc1ccccc1/C=C1\CCc2ccccc2C1=O 1046153 UHHJFSUUJFXUPS-FOWTUZBSSA-N 248.325 4.208 30 40 BIEB CCCCCCCCC(=O)N1CCCC[C@@H]1C 104156447 PBBFVPWFQGLWRW-AWEZNQCLSA-N 239.403 4.138 30 40 BIEB C=CCc1cc(F)cc(F)c1OCCCCC 95732165 UPNCJWZAHNOGMA-UHFFFAOYSA-N 240.293 4.262 30 40 BIEB C[C@@H]1CC2=C(C[C@@H]1C#N)C(C)(C)CCC2 5355347 CFLOREYDOPFXTC-ZYHUDNBSSA-N 203.329 4.063 30 40 BIEB CCCCCCCCC/C=C/COC(C)=O 2575444 AMIUTTABDVIFDZ-VAWYXSNFSA-N 226.360 4.246 30 40 BIEB CCCCCCCCSCCC(=O)OCC 3668821 PCWVHTMJFUFVRU-UHFFFAOYSA-N 246.416 4.033 30 40 BIEB C=CC[C@@](C)(NC1CCCCC1)c1ccccc1 4375973 YARYWRXFXDUAPO-QGZVFWFLSA-N 243.394 4.400 30 40 BIEB C=C(Br)Cc1c(C)cc(C)cc1C 71795183 KEHOPPVMFMPMHT-UHFFFAOYSA-N 239.156 4.063 30 40 BIEB CCCCCCCNCc1ccc(Cl)cc1 100027123 OQSCSDYZFBZJIN-UHFFFAOYSA-N 239.790 4.400 30 40 BIEB CCCC[C@@H](/C=C1/CCCCC1=O)CC 16037377 KBSFOAUXMZPTDU-KLDSGFLGSA-N 208.345 4.272 30 40 BIEB O=C1/C(=C\c2ccccc2)C/C1=C/c1ccccc1 1564094 ZKTLTVCDJXWELP-LSQIQBGYSA-N 246.309 4.126 30 40 BIEB CCCCCCCCCC1O[C@H](C)[C@@H](C)O1 1874385 VPTWFAIWRQIKBB-CHWSQXEVSA-N 228.376 4.277 30 40 BIEB O=C(/C=C\c1ccc2ccccc2c1)c1ccco1 33378801 WSAXYPRBBGNDPI-NTMALXAHSA-N 248.281 4.329 30 40 BIEB C=CCC1(Nc2ccc(OC)cc2)CCCCC1 323644 ALLMHEFPBMVDCP-UHFFFAOYSA-N 245.366 4.386 30 40 BIEB COc1ccc(/N=C/c2ccc(Cl)cc2)cc1 18168650 LTTLSCCNSQUJKZ-MHWRWJLKSA-N 245.709 4.099 30 40 BIEB C=C(C)COc1cc(C)c(Cl)cc1Cl 1657230 LIFPLABERBHBGF-UHFFFAOYSA-N 231.122 4.257 30 40 BIEB CCCCCCCCCOc1ccc(N)cc1 2168730 JQLBBFVOAHUASD-UHFFFAOYSA-N 235.371 4.398 30 40 BIEB CCC/C=C/COC(=O)CCCCCCC 95618218 IRUGSDVUJNNIMW-DHZHZOJOSA-N 226.360 4.246 30 40 BIEB endogenous,in-man CCCCCCCCCCCCNCC#N 1586459 BHSZNPPPFMICJY-UHFFFAOYSA-N 224.392 4.020 30 40 BIEB CC(C)C(=O)/C=C/c1c(Cl)cccc1Cl 1643505 LMUXWATZTPXMQG-VOTSOKGWSA-N 243.133 4.232 30 40 BIEB C=C(C)CCc1ccc(C(C)(C)C)cc1 71795053 XYWWCJXJXWNRST-UHFFFAOYSA-N 202.341 4.493 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccccc2Cl)o1 14189434 SDCALMFZOQVOKD-BQYQJAHWSA-N 246.693 4.138 30 40 BIEB CC(C)C[C@@](C)(C#N)N=N[C@](C)(C#N)CC(C)C 256091417 WYGWHHGCAGTUCH-KBPBESRZSA-N 248.374 4.095 30 40 BIEB CC(C)=CC(=O)c1c(C)c(C)c(C)c(C)c1C 575358968 ZZCWVWPUQKWQBX-UHFFFAOYSA-N 230.351 4.378 30 40 BIEB CCC(=O)/C(C)=C\C1=C(C)CCCC1(C)C 195770371 KTGXDHVCKICOMQ-BENRWUELSA-N 220.356 4.438 30 40 BIEB in-vitro C=C(C)C[C@H](Nc1ccccc1)c1ccco1 355914 MFBSQOXSUKTXAF-AWEZNQCLSA-N 227.307 4.399 30 40 BIEB Cc1ccc(C)c(/N=C/C=C(\O)C(C)(C)C)c1 100715277 JOUDSWIIUDVEDW-UUCQBCLGSA-N 231.339 4.494 30 40 BIEB C[C@H](c1ccccc1)[C@H](C#N)c1ccccc1 1664072 DRIXCPODDGFEDD-CJNGLKHVSA-N 221.303 4.097 30 40 BIEB C/C=C/C=C/COC(=O)CCCCCCC 1734229 UPXUSZYJWOMQAJ-JRRWEWNMSA-N 224.344 4.022 30 40 BIEB CCCCCCCNCc1ccc(CC)cc1 102568132 IFLVPQLTCDGZAS-UHFFFAOYSA-N 233.399 4.309 30 40 BIEB CCCCCCCC(=O)c1cccc(OC)c1 59256127 KOKQIGSRQFMCQH-UHFFFAOYSA-N 234.339 4.238 30 40 BIEB CCCCCCCCc1ccccc1O 2040130 DUIOKRXOKLLURE-UHFFFAOYSA-N 206.329 4.295 30 40 BIEB biogenic O=C(/C=C\c1ccc(Cl)cc1)c1cccs1 17222004 BNSHKSGHHCPPDV-YVMONPNESA-N 248.734 4.298 30 40 BIEB Cc1ccsc1/C=C/C(=O)c1ccc(F)cc1 71977024 RKWSUUXZRBNUCS-VOTSOKGWSA-N 246.306 4.092 30 40 BIEB CCCCCC#Cc1cc(Cl)ccc1OC 95726860 XFFBLJHUBIUSKS-UHFFFAOYSA-N 236.742 4.280 30 40 BIEB C[C@](Cl)(C#N)Cc1cc(Cl)ccc1Cl 40545825 FDBHZUMYKLTVQM-SNVBAGLBSA-N 248.540 4.057 30 40 BIEB CC1=C(CC[C@@H](C)C=O)C(C)(C)CCC1 32147276 MXNVWZZDDFIWHW-LLVKDONJSA-N 208.345 4.128 30 40 BIEB CC(C)CC#Cc1ccc(OC(C)(C)C)cc1 95631462 RJMFHLAFLIQLAI-UHFFFAOYSA-N 230.351 4.262 30 40 BIEB C=C(C)C(=O)c1ccc(-c2ccccc2)cc1 71524399 BATQNMAXEXIJSO-UHFFFAOYSA-N 222.287 4.112 30 40 BIEB Cc1cc(F)cc(C(=O)/C=C/c2ccccc2)c1 575357419 ITTVWOSZBBUYMT-BQYQJAHWSA-N 240.277 4.030 30 40 BIEB C[C@@H](c1ccccc1)[C@@](C)(C#N)c1ccccc1 1555256 HDPZSJBJWNFNGV-WMLDXEAASA-N 235.330 4.272 30 40 BIEB CC1=C2C=C[C@@]3(C)CCCC[C@H]3[C@@H]2CCC1=O 4759568 OVAFVKYBXXPAID-IJEWVQPXSA-N 230.351 4.048 30 40 BIEB Cc1ccc(-c2ccc(CC#N)cc2)c(C)c1 41237917 YSOARYRTHWEGBQ-UHFFFAOYSA-N 221.303 4.037 30 40 BIEB CCCCCCC/C=C/C(=O)OCCCC 2575198 DTCZJIDFDTTXSG-VAWYXSNFSA-N 226.360 4.246 30 40 BIEB endogenous,in-man C=CC[C@@H](CCCCC)NC(=O)OC(C)(C)C 72481987 FWJAMWBZEWWFLP-LBPRGKRZSA-N 241.375 4.036 30 40 BIEB C=C1CC[C@@H]2CO[C@H]([C@@H]3CCC=C(C)C3)[C@@H]1C2 102805193 NLMXZKLHJBQARC-ZJIFWQFVSA-N 232.367 4.104 30 40 BIEB C/C(=N/O)c1ccc2c(c1)[C@@H](C)c1ccccc1-2 104089447 TWBZWLIAJBHLIB-FVKJSVPQSA-N 237.302 4.017 30 40 BIEB C[S@+]1C=Cc2ccccc2[C@H]1c1ccccc1 104168537 RDYGJFSWKCQNMJ-IAGOWNOFSA-N 239.363 4.008 30 40 BIEB Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C#N 85367380 NDXAQNWMRMTHLT-UHFFFAOYSA-N 229.367 4.462 30 40 BIEB CCCC[C@H](CC)C(=O)c1cccc(F)c1C#N 575361651 BZOBTLRXNPMBKP-NSHDSACASA-N 247.313 4.096 30 40 BIEB C=C(Cl)CCc1cc(F)cc(Cl)c1 953053571 BRJOYKJKQWPJFQ-UHFFFAOYSA-N 219.086 4.164 30 40 BIEB C=CCCc1ccc(-c2ccccc2)cc1 59189644 IAKDLHAKDXXZBW-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB N#CCc1cccc2c1sc1ccccc12 480605 HWSYPHVXPPBQGR-UHFFFAOYSA-N 223.300 4.121 30 40 BIEB CCCCCCCCCc1cc(O)ccc1O 101005002 YMOONHBJKKZSPH-UHFFFAOYSA-N 236.355 4.391 30 40 BIEB CCC#CCN(c1ccccc1)c1ccccc1 3055700 IXMGNOWJSZKORF-UHFFFAOYSA-N 235.330 4.238 30 40 BIEB C=C1C[C@H](C)O[C@H]([C@@H]2CC=C(C)C[C@H]2C)C1 5355282 UKORLSVQLXXHOC-BARDWOONSA-N 220.356 4.103 30 40 BIEB N#Cc1ccsc1/N=C/c1ccccc1Cl 100390272 PHZRGKAPUIZWKE-OVCLIPMQSA-N 246.722 4.024 30 40 BIEB Cc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1 33373924 UYTPHSQRUDNHPA-LUAWRHEFSA-N 236.314 4.200 30 40 BIEB C=CCc1ccc(SCC(C)C)cc1 95731229 BQTHHRMZSQZWKK-UHFFFAOYSA-N 206.354 4.163 30 40 BIEB C(C#CC1CCCCC1)#CC1CCCCC1 1729077 SSKOYYWCFAHIEA-UHFFFAOYSA-N 214.352 4.154 30 40 BIEB CCCCCCCC[C@H](O)CCCC 2508106 GRDYSMCYPTWIPT-CYBMUJFWSA-N 200.366 4.288 30 40 BIEB C=C[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2 4026383 HRELBTTXSJQRTI-ILXRZTDVSA-N 218.340 4.001 30 40 BIEB biogenic CCc1ccc(C(=O)/C=C/c2cccs2)cc1 32100590 PNYQEPVSWJQNFS-MDZDMXLPSA-N 242.343 4.207 30 40 BIEB C/C(=N\O)c1ccc2c(c1)[C@@H](C)c1ccccc1-2 17425846 TWBZWLIAJBHLIB-SMBGSVLFSA-N 237.302 4.017 30 40 BIEB C=C(Br)Cc1ccc2ccccc2c1 71795299 PKHKUBMUPBKZNB-UHFFFAOYSA-N 247.135 4.291 30 40 BIEB C=C(C)C[C@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12 4434664 ZVZCYSQBQLWXCC-OWCLPIDISA-N 241.378 4.179 30 40 BIEB CCC/C=C(/CCC)B1OC(C)(C)C(C)(C)O1 197249372 MVGKIRIFMYLBJA-QXMHVHEDSA-N 238.180 4.144 30 40 BIEB CCCCCCC#Cc1ccc(C)c(F)c1 101735838 ZDRIXZLGLUHAKU-UHFFFAOYSA-N 218.315 4.456 30 40 BIEB C=C(C)C[C@@H]1N[C@H](CC(=C)C)Cc2ccccc21 3363273 WQSFWWQSUZOVRQ-WBVHZDCISA-N 241.378 4.174 30 40 BIEB CCCCCCCCCCCCCCNC=O 59498852 BWGZZKOXUZBURB-UHFFFAOYSA-N 241.419 4.434 30 40 BIEB in-vitro C/C(=N\O)c1ccc2ccc3ccccc3c2c1 15924511 KBJZNSAZGOKTFN-GZTJUZNOSA-N 235.286 4.191 30 40 BIEB CCCCCCCCNCc1ccc(C)cc1 101759824 ROBYAETYBMMTQN-UHFFFAOYSA-N 233.399 4.445 30 40 BIEB CCCc1ccc(C#Cc2ccc(C)cc2)cc1 95934741 JTSDIGCQDCHIKJ-UHFFFAOYSA-N 234.342 4.347 30 40 BIEB O=C1C=C(c2ccc(-c3ccccc3)cc2)CCC1 1676433 ZGVFJKHZNHGAFW-UHFFFAOYSA-N 248.325 4.490 30 40 BIEB C=CCC(O)(CC=C)[C@@H](CC)CCCC 1696906 QYVAVRYRJOTKEC-ZDUSSCGKSA-N 210.361 4.086 30 40 BIEB N#CC1(c2cccc(Cl)c2)CCCCC1 4291178 LMLYKFFZJKETHE-UHFFFAOYSA-N 219.715 4.065 30 40 BIEB Cc1ccc(/C=N/c2ccc3ccccc3c2)o1 46391 XNEKSTGRHVVNMC-GZTJUZNOSA-N 235.286 4.492 30 40 BIEB Cc1cc(C)cc(/N=C/c2ccccc2)c1 17752099 SUEYDGAIGNZTNZ-LFIBNONCSA-N 209.292 4.054 30 40 BIEB C[C@@H]1CCC/C(=C/Nc2cccc(Cl)c2)C1=O 409181908 GOZFWNFIGPODCL-QLWWJYNRSA-N 249.741 4.025 30 40 BIEB C=CCOC(=O)CCCCCC1CCCCC1 1586523 MMVNCZIEXUKMHF-UHFFFAOYSA-N 238.371 4.246 30 40 BIEB endogenous,in-man CC[P@@+](C)(Cc1ccccc1)c1ccccc1 73296627 JCZLWVGMPZRUCK-KRWDZBQOSA-N 243.310 4.179 30 40 BIEB Cc1cc(Cl)ccc1C#CCC(C)C 95633449 CYHYOZAAUFRIMB-UHFFFAOYSA-N 206.716 4.046 30 40 BIEB CCOc1ccc(/C=N/c2ccccc2C)cc1 66031 KEHQUFWBBPCXRA-SFQUDFHCSA-N 239.318 4.144 30 40 BIEB CCCCC1CCC(c2ccc(C#N)nc2)CC1 3065684 OLGCYWVQXBRXAQ-UHFFFAOYSA-N 242.366 4.417 30 40 BIEB C=CCc1cccc(SCC(C)C)c1 95731232 NZMAAIKCARMJTP-UHFFFAOYSA-N 206.354 4.163 30 40 BIEB CCCCOc1ccc(C(C)(C)C)cc1C#N 225291911 YITGFLVYMWLHEC-UHFFFAOYSA-N 231.339 4.035 30 40 BIEB CCCCCCCCC1OCC(C)(C)CO1 1584067 UBZVSDZJBLSIJG-UHFFFAOYSA-N 228.376 4.136 30 40 BIEB O=C1/C(=C/c2ccccc2)CC[C@@H]2CCCC[C@H]12 5124528 TXEVOSZFZIXULS-NEWSFODOSA-N 240.346 4.239 30 40 BIEB CC(C)(C#N)C(C)(C)c1cnc2ccccc2c1 13281511 SCBHYZULPUFNAP-UHFFFAOYSA-N 238.334 4.062 30 40 BIEB CC(C)CC/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 13404189 DTJZROOJTHRHMV-DKMNWPJTSA-N 234.383 4.374 30 40 BIEB C(=C\c1ccccc1)\C=N/c1ccccc1 16978935 RGKOSCNIXIHSDE-XCRWTIQCSA-N 207.276 4.102 30 40 BIEB CCCC/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366436 MHLPLEGMHZLGAN-FMUZQAFBSA-N 220.356 4.128 30 40 BIEB C/C(CC(c1ccccc1)c1ccccc1)=N/O 102978674 PKXVKWDFDWUPQB-LGMDPLHJSA-N 239.318 4.059 30 40 BIEB C#CCOC(=O)CCCCCCCCCCC 1675379 FLHVVDLUJHPLPB-UHFFFAOYSA-N 238.371 4.084 30 40 BIEB C=C(Cl)CCc1c(F)cccc1Cl 71795210 VOEGWUVFJJSPQN-UHFFFAOYSA-N 219.086 4.164 30 40 BIEB CCCCCCC[C@H]1CC[C@H](C(=O)O)CC1 245204925 JMAUQQIVJIRNDQ-JOCQHMNTSA-N 226.360 4.238 30 40 BIEB C=C(CCC=C(C)C)[C@]1(O)CC=C(C)CC1 13377601 ZHXGVJMDQRNTOC-HNNXBMFYSA-N 220.356 4.150 30 40 BIEB biogenic CC(C)CC[C@@]1(CC#N)CCO[C@@H](C(C)C)C1 4073140 YFXQPIJQPBZPRS-HUUCEWRRSA-N 237.387 4.158 30 40 BIEB biogenic CCCCC#Cc1ccc(Cl)c(F)c1 95633369 CPLJDBWWELDBAB-UHFFFAOYSA-N 210.679 4.021 30 40 BIEB C=C(C)[C@H]1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 104345921 AXKHZXQWMPAXQC-IVZWLZJFSA-N 219.155 4.173 30 40 BIEB CCCCCCCCNC(=O)Nc1ccccc1 2566704 DQOGBYHDAMONNQ-UHFFFAOYSA-N 248.370 4.169 30 40 BIEB C=C(C)CCCCCCCO[C@H]1CCCCO1 43502569 SRKGHPDLQATWBO-OAHLLOKOSA-N 240.387 4.446 30 40 BIEB CCCCCCCCC(=O)c1ccccc1O 59360008 RNAGYCQGSMZTOH-UHFFFAOYSA-N 234.339 4.326 30 40 BIEB in-vitro Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)o1 71977008 NPNZPXPMIDOIDD-BQYQJAHWSA-N 246.693 4.138 30 40 BIEB N#Cc1cc(-c2ccccc2)cc2ccccc12 71256851 KMSQOMYAROWMNT-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB O=C(/C=C\c1ccsc1)c1ccc(Cl)cc1 17222010 LLNOMBQBEKFPFK-BHQIHCQQSA-N 248.734 4.298 30 40 BIEB CCCCn1c(C#N)ccc1CC1CCCCC1 226023993 VDXWCRBGFOTJSF-UHFFFAOYSA-N 244.382 4.283 30 40 BIEB Cc1ccc(C#Cc2ccccc2)cc1Cl 95631619 MTRDLCBUKOVSMT-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB CC(C)=CCCC1=CC[C@H](/C(C)=N/O)CC1 100741665 XQJQANVTFLIWRG-YEQVNJDRSA-N 221.344 4.309 30 40 BIEB biogenic CCc1ccc(C(=O)/C=C/c2ccccc2)cc1 28628029 ADXOHTAXRZDDQT-JLHYYAGUSA-N 236.314 4.145 30 40 BIEB Cc1ccc(/N=C\c2cccc(Cl)c2)cc1 104064060 KJGFRMOAEPWKFH-YBEGLDIGSA-N 229.710 4.399 30 40 BIEB C=C(Cl)Cc1ccc(C(C)(C)C)cc1 71795081 MBZLJDYCOFFKQW-UHFFFAOYSA-N 208.732 4.279 30 40 BIEB Cc1cccc(/N=C\c2ccc(Cl)s2)c1 408968227 XJKILZNKNPQGDD-ZSOIEALJSA-N 235.739 4.461 30 40 BIEB CCCCCC/C=C\CCCCOC(C)=O 59725096 FOEWNRTZASNZJY-HJWRWDBZSA-N 226.360 4.246 30 40 BIEB in-vitro CC[P@+](C)(Cc1ccccc1)c1ccccc1 73296630 JCZLWVGMPZRUCK-QGZVFWFLSA-N 243.310 4.179 30 40 BIEB C[C@@H](C#N)c1cccc(Oc2ccccc2)c1 6020014 JSCONFOVXYGOST-LBPRGKRZSA-N 223.275 4.106 30 40 BIEB C=C(C)CN1CCC[C@H]1c1ccccc1Cl 72270849 VQSQLTLEAQCSDX-AWEZNQCLSA-N 235.758 4.053 30 40 BIEB C=C(C)C[C@H]1N[C@H]2CC(C)(C)[C@H]1c1ccccc12 100006431 ZVZCYSQBQLWXCC-PMPSAXMXSA-N 241.378 4.179 30 40 BIEB CCCCCCCCNCc1cccc(OC)c1 100048910 ZYZQSHCKYOLYJL-UHFFFAOYSA-N 249.398 4.145 30 40 BIEB Cc1ccccc1/N=C/c1ccc(O)c(Cl)c1 8570869 CZQIKHJFQXWHDV-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB CCCCCC#Cc1cc(C)cc(C)c1 95726949 QEVZJKPFTLJYFD-UHFFFAOYSA-N 200.325 4.235 30 40 BIEB CC(C)=CCCC1=CCC[C@](C)(C=O)C1 5158697 MBVBLQFHVRGNLW-AWEZNQCLSA-N 206.329 4.048 30 40 BIEB CCCCCCC[C@H](C)C(OCC)OCC 101745011 WDWOPVJSVSQRIF-ZDUSSCGKSA-N 230.392 4.382 30 40 BIEB CCCCCCCCc1cc(O)ccc1O 1654161 ZZXILYOBAFPJNS-UHFFFAOYSA-N 222.328 4.001 30 40 BIEB CCCCCCCC(=O)N[C@H](C)c1ccccc1 100971272 TWXVFDSCHKROSL-CQSZACIVSA-N 247.382 4.224 30 40 BIEB Cc1ccc(/N=C/c2ccccc2)cc1C 5417200 ATMSLLTWOWIQIC-LFIBNONCSA-N 209.292 4.054 30 40 BIEB CCCCCCCNC[C@@H](C)c1ccccc1 98009748 UUZNMPPAZUXXNU-OAHLLOKOSA-N 233.399 4.350 30 40 BIEB CC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 100003985 BBHJTCADCKZYSO-XBXGTLAGSA-N 213.324 4.242 30 40 BIEB Cc1cc(C)cc(/C=C\C#Cc2ccccc2)c1 8383912 LLZOSFPSGHIBSH-XFFZJAGNSA-N 232.326 4.368 30 40 BIEB C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12 33833583 TYPSVDGIQAOBAD-DZGCQCFKSA-N 216.324 4.049 30 40 BIEB biogenic,in-vitro Cc1ccc(C)c(/N=C\c2cc(C)n(C)c2C)c1 408785046 XGOGACPZJXMQRR-YVLHZVERSA-N 240.350 4.009 30 40 BIEB CCCOc1ccc(/C=N/c2ccccc2)cc1 6880861 FBNGDKPXMFGYFN-GHRIWEEISA-N 239.318 4.226 30 40 BIEB Clc1ccccc1/C=N/c1ccccc1 100390334 BIXVUZSUHIDQQJ-XNTDXEJSSA-N 215.683 4.091 30 40 BIEB C=C(C)[C@H]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 104345926 AXKHZXQWMPAXQC-AEJSXWLSSA-N 219.155 4.173 30 40 BIEB C=CC[C@H](NCc1ccccc1)c1ccccc1 2484590 LRPZBHSJWXDRER-KRWDZBQOSA-N 237.346 4.094 30 40 BIEB CC(=O)C1=C(C)[C@H]2C[C@]3(C)C[C@H](C3(C)C)[C@@]2(C)C1 104322283 JWDJXTIVABYRID-SRABZTEZSA-N 246.394 4.374 30 40 BIEB C=CCCCCCCCC[C@H]1OCC[C@H](C)O1 4429316 UCCCJFUKJUIYAE-GJZGRUSLSA-N 240.387 4.445 30 40 BIEB CSC1=C(c2ccccc2)/C(=N/C(C)(C)C)C1 16322638 DWHDKSPRVCZIOI-FOWTUZBSSA-N 245.391 4.404 30 40 BIEB CCCCCCOc1ccc(/C=C/C(C)=O)cc1 39593492 ALTLJPIETVHXGX-BQYQJAHWSA-N 246.350 4.248 30 40 BIEB CCCC/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366432 MHLPLEGMHZLGAN-LFIVMHCDSA-N 220.356 4.128 30 40 BIEB C/C(=N/[C@@H](C)CC(C)C)c1ccc(C)cc1 104361634 PUTQGQUNMQJNFX-YXNALHSASA-N 217.356 4.239 30 40 BIEB CCCCCC(=O)/C=C/c1ccc(C)cc1 1726440 LBDLVUTWCXYZRS-VAWYXSNFSA-N 216.324 4.158 30 40 BIEB C=CCSc1ccc(C(C)(C)C)cc1 6826242 RQQSDLCFFKIUHG-UHFFFAOYSA-N 206.354 4.262 30 40 BIEB CCC[C@@H](C#N)C12CC3CC(CC(C3)C1)C2 4601252 WOVOGVXPAVNNRD-IHXHZNKUSA-N 217.356 4.143 30 40 BIEB C=CCCc1cccc(Cl)c1Cl 95902332 OMZXMDCHLIMMPG-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB O/N=C1/CCCC/C1=C/c1ccc(Cl)cc1 16981358 RJALIFJBMFCTOY-CLHOCLAASA-N 235.714 4.128 30 40 BIEB C=CC[C@H](CCCCC)NC(=O)OC(C)(C)C 72481986 FWJAMWBZEWWFLP-GFCCVEGCSA-N 241.375 4.036 30 40 BIEB C=CCc1ccc(SC(F)(F)F)cc1 95631377 SLTQEUGIZVUNOU-UHFFFAOYSA-N 218.243 4.027 30 40 BIEB CCCCCCCOC(=O)c1ccccc1C 1768556 RILXUMSPPJIGFP-UHFFFAOYSA-N 234.339 4.122 30 40 BIEB O=C1/C(=C\c2ccccc2)CC[C@H]2CCCC[C@H]12 31719581 TXEVOSZFZIXULS-USTAHWGDSA-N 240.346 4.239 30 40 BIEB Cc1ccc(/N=C/c2ccccc2)c(C)c1 101137345 CCUWEZJBHOXLPA-LFIBNONCSA-N 209.292 4.054 30 40 BIEB Oc1ccc(/C=N/c2cccc3ccccc23)cc1 226108 GWZBECWYBXRWNF-LDADJPATSA-N 247.297 4.296 30 40 BIEB CC(C)=CCCC1=CC[C@](C)(C=O)CC1 2046154 VUIWFNRBSGUSIN-AWEZNQCLSA-N 206.329 4.048 30 40 BIEB biogenic C(=C\Nc1ccccc1)\C=N/c1ccccc1 95644702 ZFYNTCNECVPHDZ-LCKNXBETSA-N 222.291 4.015 30 40 BIEB C#Cc1ccc(OCCCCCCCC)cc1 100100922 FPXVPVOCRGJPMZ-UHFFFAOYSA-N 230.351 4.407 30 40 BIEB CC[C@H](C)c1ccc(/N=C/c2cccn2C)cc1 409107559 RXATUYFWGXENSG-VLURKWGBSA-N 240.350 4.289 30 40 BIEB CC1=CC(=O)C=C(C)C1c1ccc(C)c(Cl)c1 57478240 KBYTWLLSIVZLNO-UHFFFAOYSA-N 246.737 4.207 30 40 BIEB C/C(=N\O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 13464315 NEIHDPMNMMNHQG-LFIBNONCSA-N 235.371 4.223 30 40 BIEB C=C(Br)Cc1cc(Cl)ccc1C 95731196 FYZIYBLGDMYKDM-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB CCCCCCC#Cc1ccc(OCC)cc1 101733564 TYGRFDGXIOBIJS-UHFFFAOYSA-N 230.351 4.407 30 40 BIEB CCCCCCCCCC(=O)Nc1cccnc1 8452132 SIZKGKMMFUCWRA-UHFFFAOYSA-N 248.370 4.161 30 40 BIEB C=C1[C@H]2CC[C@H]3[C@H]2C(C)(C)CCC[C@]13C 100072039 PDSNLYSELAIEBU-UKTARXLSSA-N 204.357 4.415 30 40 BIEB biogenic,in-vitro CCCCCC#Cc1cccc(C)c1C 95726889 SEXZEQDADIEKIS-UHFFFAOYSA-N 200.325 4.235 30 40 BIEB C=CCc1ccc(OCCCCC)cc1C 95739682 ZBCIBUWDXHRUSR-UHFFFAOYSA-N 218.340 4.293 30 40 BIEB O=C(/C=C/c1ccccc1)c1ccccc1Cl 4280449 UBJIPXGNVJWNJZ-ZHACJKMWSA-N 242.705 4.236 30 40 BIEB CC(C)c1cccc(/N=C\c2ccccc2O)c1 44835669 OLBFIIRYJHICBE-BOPFTXTBSA-N 239.318 4.266 30 40 BIEB CCCC[C@H](C#N)c1ccc(Cl)cc1 21983231 KENWYAZHACTWDC-LLVKDONJSA-N 207.704 4.137 30 40 BIEB C=C(Br)CCc1ccc(C)c(C)c1 71795101 IKZDVRGUPJNKTI-UHFFFAOYSA-N 239.156 4.145 30 40 BIEB C/C=C\C=C\COC(=O)CCCCCCC 104158393 UPXUSZYJWOMQAJ-XSMBNUTRSA-N 224.344 4.022 30 40 BIEB CCCCCCCCCCCOC(=O)CC 1602774 YYOMLCJPYHLLRY-UHFFFAOYSA-N 228.376 4.470 30 40 BIEB biogenic C/C=C/C(=O)c1ccc(SC(F)(F)F)cc1 309310408 LSDMSIIIHWJZAC-NSCUHMNNSA-N 246.253 4.057 30 40 BIEB N#CC1(c2c(Cl)cccc2Cl)CCCC1 20429384 XVNLTKNIZUMKNH-UHFFFAOYSA-N 240.133 4.329 30 40 BIEB C[S@@+]1C=Cc2ccccc2[C@@H]1c1ccccc1 104168528 RDYGJFSWKCQNMJ-IRXDYDNUSA-N 239.363 4.008 30 40 BIEB C=C[C@@H](c1ccccc1)c1c(C)cc(C)cc1O 17355172 WIISNXCBNUTEEQ-HNNXBMFYSA-N 238.330 4.327 30 40 BIEB Clc1cc(Cl)cc(C#Cc2ccccc2)c1 95632901 CJCLETDNMXKXDM-UHFFFAOYSA-N 247.124 4.393 30 40 BIEB C=CCc1ccccc1SCCCC 95731225 KDRYWIDBYGHSQR-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB C=CCc1cc(F)ccc1OCCCCC 95732126 MMQAFLRQXUNDQI-UHFFFAOYSA-N 222.303 4.123 30 40 BIEB C/C(=N\O)c1ccc2c(c1)C(C)(C)CCC2(C)C 100022381 GTSIYLVKCYDJHQ-GZTJUZNOSA-N 245.366 4.234 30 40 BIEB CC(/C=C/c1ccccc1)=N/c1ccccc1 104138577 SWZIFMPZYZSWMD-SQCSQLHISA-N 221.303 4.492 30 40 BIEB C=CCn1c(C2CCCCC2)nc2ccccc21 95349712 GFBOCGNICQXUPK-UHFFFAOYSA-N 240.350 4.270 30 40 BIEB CC(C)[S+](c1ccccc1)c1ccccc1 117002852 PQUNDWWERWQRQT-UHFFFAOYSA-N 229.368 4.131 30 40 BIEB CCCCCCCCc1ccc(C=O)s1 117012735 AYLATYPSOIBJDE-UHFFFAOYSA-N 224.369 4.464 30 40 BIEB C=CC(=O)OCCCCCCCCCCC 2563405 RRLMGCBZYFFRED-UHFFFAOYSA-N 226.360 4.246 30 40 BIEB CC(C)c1ccc(C#CC(C)(C)Cl)cc1 95633097 HYFBHASJFXOJON-UHFFFAOYSA-N 220.743 4.179 30 40 BIEB C(#CC1CC1)c1ccc(-c2ccccc2)cc1 95632822 USCNLGJTISQRKC-UHFFFAOYSA-N 218.299 4.115 30 40 BIEB C=CC[C@](C)(NC1CCCCC1)c1ccccc1 4375976 YARYWRXFXDUAPO-KRWDZBQOSA-N 243.394 4.400 30 40 BIEB Cc1ccc(/C=C/C(=O)c2cccs2)cc1C 19927481 PMQQENWTMIZVFN-BQYQJAHWSA-N 242.343 4.261 30 40 BIEB C=C[C@](C)(O)CCC=C(C)CCC=C(C)C 1857742974 FQTLCLSUCSAZDY-HNNXBMFYSA-N 222.372 4.396 30 40 BIEB CCCCCCCCCC[C@H]1OC[C@H](C)O1 1595733 ZOJCTKZSRSUPTO-KBPBESRZSA-N 228.376 4.279 30 40 BIEB endogenous,in-man C=C(Cl)CCCc1cccc(Cl)c1 85650648 CSCGUIQGNNYITO-UHFFFAOYSA-N 215.123 4.415 30 40 BIEB C=CCOc1ccc(/C=N/c2ccccc2)cc1 6295848 JSTINOWXPJSRSK-GHRIWEEISA-N 237.302 4.002 30 40 BIEB CCCOc1ccccc1/C=N/c1ccccc1 6943358 LXVIXLJWEMXDFT-GHRIWEEISA-N 239.318 4.226 30 40 BIEB CCCCCC(=O)/C=C\c1ccc(C)cc1 16955084 LBDLVUTWCXYZRS-QXMHVHEDSA-N 216.324 4.158 30 40 BIEB Cc1ccsc1/C=C/C(=O)c1cccs1 71977195 KJJGFBAZDKRGDP-SNAWJCMRSA-N 234.345 4.014 30 40 BIEB C/C=C/C(=O)c1cc(Cl)cc(Cl)c1Cl 306579445 XEESHMZUSDAQSU-NSCUHMNNSA-N 249.524 4.406 30 40 BIEB [N-]=[N+]=Nc1ccccc1-c1ccccc1[N+](=O)[O-] 8585923 WJSLSWVOIJRZHC-UHFFFAOYSA-N 240.222 4.204 30 40 BIEB in-vitro O=C(/C=C\c1cccc(Cl)c1)c1cccs1 33655677 GYNJBYWMEXITPZ-SREVYHEPSA-N 248.734 4.298 30 40 BIEB O=C(/C=C/c1ccc(Cl)s1)c1ccccc1 14175523 ZXRBESPZRLZMTO-SOFGYWHQSA-N 248.734 4.298 30 40 BIEB C=C(Br)Cc1c(C)cccc1Cl 71795214 MJEHRKLVEBDAAT-UHFFFAOYSA-N 245.547 4.100 30 40 BIEB Cc1cccc(N/C=C2\CCCCCC2=O)c1C 6044761 DADXLAHFKONIKP-SDNWHVSQSA-N 243.350 4.132 30 40 BIEB CCCCCCCOc1cccc(F)c1F 100066966 DTLNCGIPFFKTFC-UHFFFAOYSA-N 228.282 4.314 30 40 BIEB CCCCCCCCCNC(=O)c1ccccc1 3160437 WNJKFTPAXQJHJM-UHFFFAOYSA-N 247.382 4.167 30 40 BIEB C=C[C@@](C)(O)/C=C\C1=C(C)CCCC1(C)C 38609851 PZGYHDPZANRCSM-ZHUYAKLQSA-N 220.356 4.006 30 40 BIEB O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)C1 1469180 ZJSVUFYYBBKIIA-QGZVFWFLSA-N 248.325 4.217 30 40 BIEB O=C1C=C(c2ccccc2)C/C1=C\c1ccccc1 1757052 JPBJDGIGZLDEBO-GZTJUZNOSA-N 246.309 4.126 30 40 BIEB CC(C)=CCCC1=CCC[C@@](C)(C=O)C1 5158686 MBVBLQFHVRGNLW-CQSZACIVSA-N 206.329 4.048 30 40 BIEB N#C[C@@H](c1ccccc1Cl)C1CCCC1 16449434 VKTVFZCGVHNBCB-GFCCVEGCSA-N 219.715 4.137 30 40 BIEB C[C@H](S)C(c1ccccc1)c1ccccc1 20476575 LMJJMBIZDAEUNS-LBPRGKRZSA-N 228.360 4.137 30 40 BIEB Fc1ccc(/C=N\c2ccc(Cl)cc2)cc1 100227688 LGUPYHGCMTUTDL-SXGWCWSVSA-N 233.673 4.230 30 40 BIEB N#CCc1ccc2c(c1)Sc1ccccc1O2 1555703 APILJDLPFKNFJR-UHFFFAOYSA-N 239.299 4.010 30 40 BIEB C=C1CC[C@@H]2CO[C@H]([C@H]3CCC=C(C)C3)[C@@H]1C2 102805190 NLMXZKLHJBQARC-CAOSSQGBSA-N 232.367 4.104 30 40 BIEB CCCCCCCCCCCc1ccn[nH]1 1670178 PZTOMDGTAFYOHW-UHFFFAOYSA-N 222.376 4.483 30 40 BIEB C=C(C)[C@@H]1CC[C@@](C)(C#N)O[C@@H]1c1ccccc1 4026043 DVQNXGZOKQJBCC-XHSDSOJGSA-N 241.334 4.013 30 40 BIEB biogenic C/C(=N\Nc1ccccc1)c1ccc(Cl)cc1 4759317 YYYWZVSFFKHZNV-LFIBNONCSA-N 244.725 4.176 30 40 BIEB CCn1c(C)cc(/C=N/c2cccc(F)c2)c1C 409100900 VWDMSAGVZSRWJY-LICLKQGHSA-N 244.313 4.015 30 40 BIEB O=C1CCCCC/C1=C/c1ccc(Cl)cc1 16958946 VDOMQGYNIKEPNX-BENRWUELSA-N 234.726 4.257 30 40 BIEB Cc1ccc(C(=O)/C=C/c2cccs2)c(C)c1 57457777 QSNXEKAYHYXCPI-SOFGYWHQSA-N 242.343 4.261 30 40 BIEB Cc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 71793413 ZRJKWBNZYXCIQM-JXMROGBWSA-N 240.277 4.030 30 40 BIEB C=CCCC(=O)/C=C\[C@@H]1C(C)=CCCC1(C)C 31356938 FXCYGAGBPZQRJE-JQPIKURYSA-N 232.367 4.460 30 40 BIEB C=CCCc1ccccc1-c1ccccc1 59189639 IOTSUPCKXFUGPA-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB CCCCCCCc1ccc(C(=O)COC)cc1 101106224 QPUWMFCTHJMVHP-UHFFFAOYSA-N 248.366 4.029 30 40 BIEB O/N=C1/CCCCCC[C@H]1Sc1ccccc1 100932104 PIYZMQWSFCDKGT-JNINTMOKSA-N 249.379 4.332 30 40 BIEB CC(=O)C1=C(C)[C@@H]2C[C@]3(C)C[C@H](C3(C)C)[C@@]2(C)C1 104322293 JWDJXTIVABYRID-ABFRBSLYSA-N 246.394 4.374 30 40 BIEB CCCCCCCCC(=O)Nc1ccccc1O 1680923 FZVFPBKSJNLCGF-UHFFFAOYSA-N 249.354 4.081 30 40 BIEB CCCCCCCCCC1=C(O)CCC1=O 100238464 OGVZVRPGMYZCEE-UHFFFAOYSA-N 224.344 4.302 30 40 BIEB C/C(=N\[C@H](C)c1ccccc1)C1CCCC1 117514354 PBAJMFNXINMKGE-SIOXIVGBSA-N 215.340 4.399 30 40 BIEB Cc1ccc(/N=C\c2cccc(O)c2)cc1Cl 409209058 FLVADVOBBALISF-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB O=C(/C=C/c1ccccc1)c1sccc1Cl 72119983 CSJXZOSDBPRGDR-VOTSOKGWSA-N 248.734 4.298 30 40 BIEB Cc1ccc(Cl)cc1/N=C/c1ccccc1O 100037342 XIMATYDWNQNCNW-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB C=CCCc1cc(Cl)cc(Cl)c1 71795239 BXFFIGBTLPTTIA-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CCCCC#Cc1ccc(Cl)cc1C 95633421 JGGIOHNTEFETHD-UHFFFAOYSA-N 206.716 4.190 30 40 BIEB CC(C)C(=O)/C=C/c1ccc(Cl)cc1Cl 1643503 WNKJKMDXSFFUMM-GQCTYLIASA-N 243.133 4.232 30 40 BIEB O=C1/C(=C\c2cccs2)Sc2ccccc21 4474760 QXTHPKYWGFIJDZ-XYOKQWHBSA-N 244.340 4.078 30 40 BIEB C=C(C)Cc1cccc(OCc2ccccc2)c1 43502359 AYMVXOIBNAXKMV-UHFFFAOYSA-N 238.330 4.384 30 40 BIEB C=CCNCc1c2ccccc2cc2ccccc12 71976839 MSAUTZPTSIHKQG-UHFFFAOYSA-N 247.341 4.269 30 40 BIEB CN(C)/C=N/c1c2ccccc2cc2ccccc12 1674013 WSKALTVKTKSMDO-LDADJPATSA-N 248.329 4.214 30 40 BIEB C/C=C(/C)C(=O)OCCCCCCCCC 103833200 NIOMGUSCYSQFTC-ACAGNQJTSA-N 226.360 4.246 30 40 BIEB Cc1cc(C#CCC(C)C)ccc1Cl 95631706 LCOBVOLBSIWOFM-UHFFFAOYSA-N 206.716 4.046 30 40 BIEB N#Cc1c(Cl)c(Cl)cc(Cl)c1Cl 165833883 USMSRVCGFPCDKH-UHFFFAOYSA-N 240.904 4.172 30 40 BIEB CCCCCCCCCC[n+]1ccccc1 1672418 MFMBELVKZWEQOM-UHFFFAOYSA-N 220.380 4.115 30 40 BIEB CCCC[C@H](CC)C[C@@H](CC)COC[C@@H]1CO1 72422470 DNYHBENUJOKOEB-RRFJBIMHSA-N 242.403 4.035 30 40 BIEB C=C1CC[C@@H]2CO[C@@H]([C@@H]3CCC=C(C)C3)[C@@H]1C2 102805188 NLMXZKLHJBQARC-JJXSEGSLSA-N 232.367 4.104 30 40 BIEB C[C@H](c1ccccc1)[C@](C)(C#N)c1ccccc1 1555259 HDPZSJBJWNFNGV-PBHICJAKSA-N 235.330 4.272 30 40 BIEB Cc1cc(C)c(C#CCC(C)C)cc1C 95633896 MVAKPQKZNQLHTD-UHFFFAOYSA-N 200.325 4.009 30 40 BIEB C=C(C)[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 2132960 SAWJHMOBEQAZRA-JJXSEGSLSA-N 232.367 4.247 30 40 BIEB biogenic C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1665051 AXKHZXQWMPAXQC-BBBLOLIVSA-N 219.155 4.173 30 40 BIEB CC(C)=CCC[C@H](C)CCC[C@H](C)C=O 1712096 UEGBWDUVDAKUGA-KBPBESRZSA-N 210.361 4.374 30 40 BIEB C=CCc1c(C)[nH]c2c(C)cccc2c1=S 4602576 XRGDNGIFGDGUJL-UHFFFAOYSA-N 229.348 4.243 30 40 BIEB CCCCCCCC(=O)c1ccc(OC)cc1 59256130 OAWZBNOLAFIAMD-UHFFFAOYSA-N 234.339 4.238 30 40 BIEB Cc1ccc(C#CCC(C)C)cc1Cl 95631654 NRGADMKQKJUVCW-UHFFFAOYSA-N 206.716 4.046 30 40 BIEB CCCCCCCCCC1O[C@@H](C)[C@H](C)O1 1874384 VPTWFAIWRQIKBB-STQMWFEESA-N 228.376 4.277 30 40 BIEB CC(/C=N/c1ccccc1)=C\Nc1ccccc1 101154357 NYZASXWCZPJELC-FBRLRESOSA-N 236.318 4.405 30 40 BIEB Cc1c(Cl)cccc1/N=C/c1ccc(O)cc1 46002 BINYFERDESGRBZ-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB O=C(/C=C/c1ccsc1)c1ccc(Cl)cc1 4712868 LLNOMBQBEKFPFK-LZCJLJQNSA-N 248.734 4.298 30 40 BIEB CCCC(CCC)C(=O)c1cccc(F)c1C#N 575362053 XNCNBFFXWDJESX-UHFFFAOYSA-N 247.313 4.096 30 40 BIEB Cc1ccccc1/N=C\c1ccccc1Cl 16978547 FOZBQXWWXGEXIX-YBEGLDIGSA-N 229.710 4.399 30 40 BIEB C=C(C)Cc1c(COC)ccc2ccccc12 43502487 GRMRMKSXWOJVQX-UHFFFAOYSA-N 226.319 4.105 30 40 BIEB C=CC[C@@H]1NC2(CCCCC2)Cc2ccccc21 1322311 AFQURPGOEXHEKR-INIZCTEOSA-N 241.378 4.152 30 40 BIEB biogenic Cc1cc(Cl)ccc1/N=C/c1cccs1 17063360 KCIQUWATXOGSKW-RIYZIHGNSA-N 235.739 4.461 30 40 BIEB Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 44075941 LUUPODNGYDYQLY-WDZFZDKYSA-N 240.277 4.030 30 40 BIEB CSC1=C(c2ccccc2)/C(=N\C(C)(C)C)C1 103990860 DWHDKSPRVCZIOI-VBKFSLOCSA-N 245.391 4.404 30 40 BIEB Cc1ccccc1/N=C/c1cc(Cl)ccc1O 16999511 FRMHOFWFSFFMTQ-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB Cc1c(Cl)cccc1C#Cc1ccccc1 95631568 RMICGJMDUSJVJO-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB CCCCCCCc1ccc2cccc(O)c2n1 100935844 MLJYHQVYCPUMNW-UHFFFAOYSA-N 243.350 4.453 30 40 BIEB C/C(=C\c1cccs1)C(=O)c1ccccc1 17025222 LEPLJTISNLVVQD-ZHACJKMWSA-N 228.316 4.034 30 40 BIEB CCCCCCCC(=O)O[C@H]1CCCC[C@@H]1C 1615179 ZFUKUODGBHPRJR-KBPBESRZSA-N 240.387 4.469 30 40 BIEB CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1 3161036 VAPUHUILPPYYEL-UHFFFAOYSA-N 215.340 4.153 30 40 BIEB CCCCCCCC[Si](C)(C)N(C)C 198829387 HVOFQSDLPSCYBH-UHFFFAOYSA-N 215.457 4.114 30 40 BIEB Clc1ccccc1/N=C/c1cccs1 585477 JUXUOXJFWDKMCQ-MDWZMJQESA-N 221.712 4.152 30 40 BIEB CCCCCCCCC#CBr 101422958 YGJUVYZGQPPERH-UHFFFAOYSA-N 217.150 4.093 30 40 BIEB C=C(F)CCCCCCCCCC(=O)O 34415892 KEUDFDLRINNIDS-UHFFFAOYSA-N 216.296 4.065 30 40 BIEB CC(C)(Cl)C#Cc1ccc(Cl)c(Cl)c1 95633475 FFKCITLLWHGJCM-UHFFFAOYSA-N 247.552 4.362 30 40 BIEB Cc1ccc(/N=C/c2ccccc2O)cc1Cl 17376526 UAXRVVVUIYPSRP-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC#N)C1(C)C 4837214 BYJBLAUYQYGYKP-IUODEOHRSA-N 238.334 4.130 30 40 BIEB COc1ccc(Cl)cc1/C=N/c1ccccc1 8160063 URMCSTMFOZSGDR-MHWRWJLKSA-N 245.709 4.099 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccccc2)c(F)c1 575361870 PWRHBCYUYXNRKB-CSKARUKUSA-N 240.277 4.030 30 40 BIEB CC(C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17218067 QHYGIPBTAZKCSI-XQRVVYSFSA-N 243.133 4.232 30 40 BIEB N#Cc1ccc(Oc2cccc(Cl)c2)cc1 19867899 LLODVKYPISQHCC-UHFFFAOYSA-N 229.666 4.004 30 40 BIEB CCCCCC#Cc1ccccc1CC 95726890 RETNXEDSMAQYSO-UHFFFAOYSA-N 200.325 4.181 30 40 BIEB CCOc1cccc(/C=N\c2ccccc2C)c1 409202649 SNCJBLWHZBLCHG-ATVHPVEESA-N 239.318 4.144 30 40 BIEB CCCCCCC(=O)/C=C/c1ccccc1OC 1570351 CBYDBBWQEHUEDT-OUKQBFOZSA-N 246.350 4.248 30 40 BIEB CCCCCCN(CCC#N)CCCCCC 1719210 ZRMKJZPGTBDDTA-UHFFFAOYSA-N 238.419 4.363 30 40 BIEB CCCCCCCCCCOC(=O)C(C)C 1848571 HGOZECVJNYXKMC-UHFFFAOYSA-N 228.376 4.326 30 40 BIEB C=C(Cl)CCc1ccc(Br)cc1 2567458 FVHDKYXQUXEUKP-UHFFFAOYSA-N 245.547 4.134 30 40 BIEB C[C@@H]1CC[C@@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C 4567042 XCNWBFCZQCPYPV-RGCMKSIDSA-N 222.372 4.064 30 40 BIEB Clc1cccc(CON=C2CCCCC2)c1 22115829 LFXXKKBSCFOTRA-UHFFFAOYSA-N 237.730 4.177 30 40 BIEB Cc1ccc(/C=N/c2cccc(C)c2C)cc1 2165813 ZYRJUEUZWSPWMM-GZTJUZNOSA-N 223.319 4.362 30 40 BIEB CCCCCCCCC[C@H](CC)C(=O)O 2600055 VZOMLDYIAWPSDV-LBPRGKRZSA-N 214.349 4.238 30 40 BIEB Cc1ccccc1C(=O)/C=C/c1cccc(F)c1 57903866 LQTLRBFBJFJEKP-MDZDMXLPSA-N 240.277 4.030 30 40 BIEB C=C1C[C@H](C)O[C@@H]([C@H]2CC=C(C)C[C@H]2C)C1 102774236 UKORLSVQLXXHOC-CBBWQLFWSA-N 220.356 4.103 30 40 BIEB CCCC/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210318 MHLPLEGMHZLGAN-ZZUQXNNYSA-N 220.356 4.128 30 40 BIEB CC(C)=C1C/C=C(\C)CC/C=C(/C)CC1=O 103581122 CAULGCQHVOVVRN-UPAULDTKSA-N 218.340 4.359 30 40 BIEB biogenic,in-vitro C=CCNc1nc(-c2cc(C)ccc2C)cs1 3328111 IQUVWEJRYIGUJX-UHFFFAOYSA-N 244.363 4.025 30 40 BIEB Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 4284061 LUUPODNGYDYQLY-IZZDOVSWSA-N 240.277 4.030 30 40 BIEB in-vitro C=C(C)Cc1cccc(Cl)c1Cl 71795115 DQWIETZGVZXJOF-UHFFFAOYSA-N 201.096 4.112 30 40 BIEB CS/C(=N/c1ccccc1)c1ccccc1 103609198 OCGKZISWUGOYFH-CCEZHUSRSA-N 227.332 4.128 30 40 BIEB CCCCCCCCCCCC1OCCO1 1679875 BKFFGALSQITQAW-UHFFFAOYSA-N 228.376 4.280 30 40 BIEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1C 408771798 JEVGTSCUELMYFS-CXUHLZMHSA-N 246.741 4.046 30 40 BIEB CCCCCCCCC[C@H](O)C(F)(F)F 2578105 FBHJYJKWINPBSZ-JTQLQIEISA-N 226.282 4.050 30 40 BIEB C=CC[C@@H](Nc1ccccc1)c1ccc(C)o1 4045316 VRDAKMIGZJZHLV-CQSZACIVSA-N 227.307 4.317 30 40 BIEB C=CCSCCC1=CC[C@@H]2C[C@@H]1C2(C)C 101020934 SSVUDRSVVBMRKC-OLZOCXBDSA-N 222.397 4.288 30 40 BIEB CC(C)(C)C/C(=N\C(C)(C)C)NC(C)(C)C 5292791 LLVKNPMHAOENMY-UHFFFAOYSA-N 226.408 4.008 30 40 BIEB CC(C)(C)Oc1ccc(C#C[Si](C)(C)C)cc1 201902632 WDYRJFBGCQLMCS-UHFFFAOYSA-N 246.426 4.093 30 40 BIEB Cc1ccc(C#Cc2ccc(Cl)cc2)cc1 59338160 WWPAZXAGAXRHBL-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB C=C(C)CCc1ccc(C(F)(F)F)cc1 71795142 YOPQPLOCSFDJEG-UHFFFAOYSA-N 214.230 4.214 30 40 BIEB CCCCCCCCSCCS 103013754 MREIKZQLDBMRGJ-UHFFFAOYSA-N 206.420 4.010 30 40 BIEB CCCCCCCCC[C@@H](NN)c1ccccc1 161794356 DOWYNQBWWAKYIA-MRXNPFEDSA-N 248.414 4.332 30 40 BIEB Cc1cc(C)c(C(=O)/C=C/c2ccco2)cc1C 4752030 NLVJYGMRIBIEJX-VOTSOKGWSA-N 240.302 4.101 30 40 BIEB C=CC[C@H](Nc1ccc(OC)cc1)c1ccco1 282518 OYJDMLZKWITUOG-AWEZNQCLSA-N 243.306 4.018 30 40 BIEB C=C(Cl)Cc1c(C)c(C)cc(C)c1C 71795182 CYAFXZZYPQLMCC-UHFFFAOYSA-N 208.732 4.215 30 40 BIEB C(/C=C/Nc1ccccc1)=Nc1ccccc1 252680332 ZFYNTCNECVPHDZ-RMPAWCBFSA-N 222.291 4.015 30 40 BIEB N#CCCCCOc1ccc(Cl)c(Cl)c1 42214127 HMNNLOOOPIMWAI-UHFFFAOYSA-N 244.121 4.066 30 40 BIEB CCCC[C@@H](CC)C(=O)c1cccc(F)c1C#N 575361650 BZOBTLRXNPMBKP-LLVKDONJSA-N 247.313 4.096 30 40 BIEB O=C(/C=C\c1ccccc1)C1(c2ccccc2)CC1 17000131 RLLKIPCJBXVQCR-QXMHVHEDSA-N 248.325 4.001 30 40 BIEB O=C(/C=C/C=C\c1ccccc1)c1ccccc1 6111120 QONKLJMPKWQQFG-WIFBXHMDSA-N 234.298 4.139 30 40 BIEB C=C(C)CCc1c(Cl)ccc(C)c1F 95902220 QCWALXVPHTZKAG-UHFFFAOYSA-N 212.695 4.296 30 40 BIEB O=C1CCCC/C1=C\c1cccc2ccccc12 1323782 NSBIZUGSCWTKET-NTCAYCPXSA-N 236.314 4.366 30 40 BIEB C=CCCCCCCCC[C@H]1OC[C@@H](C)O1 1590119 OECSCWLUGVWEPK-KGLIPLIRSA-N 226.360 4.055 30 40 BIEB O/N=C1\CCCC\C1=C\C=C/c1ccccc1 16955884 NTZJGJWGZJESSH-KZBLONOMSA-N 227.307 4.030 30 40 BIEB CCCCCCC#Cc1cccc(F)c1 101734064 YQCPPRZYARUVFX-UHFFFAOYSA-N 204.288 4.148 30 40 BIEB CCCCCCCCNCc1ccccc1 2039354 VRYPROVLGPMATH-UHFFFAOYSA-N 219.372 4.137 30 40 BIEB in-vitro O/N=C1\CCC=CCC[C@H]1Sc1ccccc1 17995843 DECRDLWQPHEENP-WKSMNZEISA-N 247.363 4.108 30 40 BIEB C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@H]1c1ccccc12 100006434 ZVZCYSQBQLWXCC-JYJNAYRXSA-N 241.378 4.179 30 40 BIEB CCCCCCCCCCCOC(C)=O 1848558 CKQGCFFDQIFZFA-UHFFFAOYSA-N 214.349 4.080 30 40 BIEB biogenic,in-vitro C=CC[C@@H](Nc1ccc(OC)cc1)c1ccco1 282521 OYJDMLZKWITUOG-CQSZACIVSA-N 243.306 4.018 30 40 BIEB C#Cc1ccc(OCCCCCCC)cc1 2555795 DQAKDXDJKLBWOL-UHFFFAOYSA-N 216.324 4.017 30 40 BIEB N#Cc1ccc2cc(-c3ccccc3)ccc2c1 71256879 CKSPPSMASZEZPM-UHFFFAOYSA-N 229.282 4.378 30 40 BIEB Cc1cc(Cl)ccc1/N=C\c1cccs1 104192221 KCIQUWATXOGSKW-ZSOIEALJSA-N 235.739 4.461 30 40 BIEB CC(=O)/C=C1\CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C 6031165 WXETUDXXEZHSCS-CMXPQVDOSA-N 246.394 4.374 30 40 BIEB C=C(Cl)CCc1ccc(C(F)(F)F)cc1 71795143 RCPVXGCOMAVZHT-UHFFFAOYSA-N 234.648 4.391 30 40 BIEB Cc1ccc(/N=C/C(Cl)(Cl)Cl)cc1 100496117 IFEAMQCSFZCZAU-AWNIVKPZSA-N 236.529 4.068 30 40 BIEB C/C=C/C=C/COC(=O)CCCCCCCC 1734233 HWNWEONGYFTLME-RZYXTZOYSA-N 238.371 4.413 30 40 BIEB O/N=C1\CCCC\C1=C/C=C/c1ccccc1 8642397 NTZJGJWGZJESSH-BJORRTTPSA-N 227.307 4.030 30 40 BIEB C/C(=N\[C@H](C)CC(C)C)c1ccc(C)cc1 17301824 PUTQGQUNMQJNFX-ZPTIMJQQSA-N 217.356 4.239 30 40 BIEB CCCCCCCCCOc1cccc(N)c1 59341280 NHVYWXPUSZZRDD-UHFFFAOYSA-N 235.371 4.398 30 40 BIEB CCCCC(F)(F)C(F)(F)C(F)(F)F 98210371 YHNUMBKYLJWTIO-UHFFFAOYSA-N 226.135 4.010 30 40 BIEB O=C1C(=C2CCCC2)CC/C1=C\c1ccccc1 2271386 BPEWVCTUUOTLAC-NTCAYCPXSA-N 238.330 4.304 30 40 BIEB Cc1cc(/N=C\c2ccccc2O)ccc1Cl 44835757 NEIFGPYIVUHZGZ-SXGWCWSVSA-N 245.709 4.105 30 40 BIEB Cc1ccc(C)c(/N=C\c2ccc(F)cc2)c1 100227654 YLYJXIBXNUAJSC-YVLHZVERSA-N 227.282 4.193 30 40 BIEB C=CCCC(=O)c1c(Cl)cccc1Cl 168406574 DZIKZKGEDQXCAP-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB C=CCOc1c(Cl)cc(Cl)cc1Cl 1704955 ZQGMMQSTKGOKGH-UHFFFAOYSA-N 237.513 4.212 30 40 BIEB CCCCCCCCNC(=O)C1CCCCC1 2057711 NIWNFEABZJZVCA-UHFFFAOYSA-N 239.403 4.043 30 40 BIEB C=C(C)[C@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 4026809 SAWJHMOBEQAZRA-ZJIFWQFVSA-N 232.367 4.247 30 40 BIEB biogenic C/C(=N\O)c1ccc2c(c1)[C@H](C)c1ccccc1-2 17425843 TWBZWLIAJBHLIB-SIPGVVJPSA-N 237.302 4.017 30 40 BIEB C=CCCc1cccc(-c2ccccc2)c1 95902334 XXPNVNZWUHQLKZ-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB C=CC[C@H](N[C@H](C)c1ccco1)c1ccccc1 355901 KWKSNHQEOUOGQF-HIFRSBDPSA-N 241.334 4.248 30 40 BIEB Cc1ccc([C@@H](S)c2ccccc2)c(C)c1 20476640 NEDZIBWFJYMGEL-HNNXBMFYSA-N 228.360 4.323 30 40 BIEB N#Cc1ccccc1Cc1cccc2ccccc12 1715818 LICJKVJVOZYRAD-UHFFFAOYSA-N 243.309 4.302 30 40 BIEB C=CCc1cc(F)c(F)c(OCCC(C)C)c1 95732135 OXULWTSLZXIEKM-UHFFFAOYSA-N 240.293 4.118 30 40 BIEB CCCCCCCCC1O[C@@H](C)C[C@@H](C)O1 1584063 ZXUGODBUCOFIFE-PBWFPOADSA-N 228.376 4.277 30 40 BIEB CCCCCCCCNC(=O)c1ccccc1C 2057653 OWDDBMRGRZWRBQ-UHFFFAOYSA-N 247.382 4.085 30 40 BIEB N#CCCCCCCC(=O)c1ccc(Cl)cc1 2392927 WTVNTOZRDAGSGQ-UHFFFAOYSA-N 249.741 4.387 30 40 BIEB C(/C=C/c1ccccc1)=N/c1ccccc1 104138513 RGKOSCNIXIHSDE-SBFJKYRKSA-N 207.276 4.102 30 40 BIEB CC(C)CC/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239039 DTJZROOJTHRHMV-UHQRNEECSA-N 234.383 4.374 30 40 BIEB CCCCCC#Cc1ccc(C)c(F)c1 95726985 VQHKIPAKJZYPED-UHFFFAOYSA-N 204.288 4.066 30 40 BIEB Cc1c(Cl)cccc1/N=C/c1cccs1 95082142 UYDAJRXNPWWUJI-RIYZIHGNSA-N 235.739 4.461 30 40 BIEB CCc1ccc(/C=C/C(=O)c2ccccc2)cc1 5877456 NDDLFKFQHSHGIL-OUKQBFOZSA-N 236.314 4.145 30 40 BIEB CCCCCCCC/C=C/CCCCO 59724910 ZYTGEAXLNDKCTI-MDZDMXLPSA-N 212.377 4.456 30 40 BIEB CCCCCC/C=C\B1OC(C)(C)C(C)(C)O1 195756093 KQTOSGTXAFJZSJ-QXMHVHEDSA-N 238.180 4.144 30 40 BIEB Cc1ccccc1[C@@H](S)c1ccccc1 39647750 BPAXNYHYMGVJPX-AWEZNQCLSA-N 214.333 4.014 30 40 BIEB C=CCc1ccc(F)cc1OCCCCC 95739676 ZKPPKAYHIBHBHD-UHFFFAOYSA-N 222.303 4.123 30 40 BIEB O/N=C1\CCCC\C1=C/c1ccc(Cl)cc1 104141685 RJALIFJBMFCTOY-PXELCPQFSA-N 235.714 4.128 30 40 BIEB Cc1ccc(C#Cc2ccc(Cl)cc2C)cc1 95633434 NBCKZPXLYQCMIS-UHFFFAOYSA-N 240.733 4.357 30 40 BIEB CCn1c(C)cc(/C=N\c2ccccc2C)c1C 409065627 JUDNVBKBKZHGJV-BOPFTXTBSA-N 240.350 4.184 30 40 BIEB CC(C)=CC(=O)c1c(C)ccc2ccccc12 575358684 ZMSZNVMCHAOCFA-UHFFFAOYSA-N 224.303 4.297 30 40 BIEB C=CC[C@@H]1c2cc3ccccc3cc2C[N+]1(C)C 1247048 LACLQVONNVVZMK-QGZVFWFLSA-N 238.354 4.047 30 40 BIEB C/C=C/C=C\COC(=O)CCCCCCC 104158397 UPXUSZYJWOMQAJ-NBUPAEHBSA-N 224.344 4.022 30 40 BIEB C=C(Cl)Cc1ccc2cc(OC)ccc2c1 95727313 SFAYGJPRRUGBGO-UHFFFAOYSA-N 232.710 4.143 30 40 BIEB CCCCCCCCOC(=O)CCCC 1584009 OUYCCOBIJYUMAK-UHFFFAOYSA-N 214.349 4.080 30 40 BIEB biogenic CCCCCCCCC#CCN(CC)CC 196328786 RCTYFTKPFOTKDV-UHFFFAOYSA-N 223.404 4.082 30 40 BIEB COc1cccc(/C=N\c2ccc(C)c(C)c2)c1 524407 QDPGFTCFMVBLJB-BOPFTXTBSA-N 239.318 4.063 30 40 BIEB C1=CCc2c(cccc2/N=C/c2ccccc2)C1 18036756 MWRMVLQOUVCAJY-QGOAFFKASA-N 233.314 4.092 30 40 BIEB O=C(/C=C\c1ccco1)c1cccc2ccccc12 33373931 FJJLGOOMXSGOBD-KHPPLWFESA-N 248.281 4.329 30 40 BIEB Cc1cc(C#N)c(C)n1-c1ccccc1C(C)C 223708831 CEPPLNNUQMOWKT-UHFFFAOYSA-N 238.334 4.089 30 40 BIEB C=CCCCCCCCC[C@@H]1OC[C@@H](C)O1 1590117 OECSCWLUGVWEPK-ZIAGYGMSSA-N 226.360 4.055 30 40 BIEB CCCCCCCOc1ccc(C(C)=O)cc1 3289488 IHSRWPYWJCRGFG-UHFFFAOYSA-N 234.339 4.238 30 40 BIEB C=CCOC(=O)CCCCCCC/C=C\C 16951368 KNRVYEZIFHTDRC-HYXAFXHYSA-N 224.344 4.022 30 40 BIEB CC(C)=C1CC[C@@H](C)/C(=C\c2ccccc2)C1=O 100364280 JWNCZXHFZOKMGP-KWWJGWKXSA-N 240.346 4.405 30 40 BIEB N#CC1(c2ccc(F)cc2Cl)CCCCC1 155780 KZGDMXVKXALOSX-UHFFFAOYSA-N 237.705 4.205 30 40 BIEB C#CCCCCCCCCCCCCCO 34586464 UFGPGIQISUZXOS-UHFFFAOYSA-N 224.388 4.293 30 40 BIEB C=C(C)C(=O)c1ccc(Cl)cc1C(F)(F)F 309323228 PXXPLNSJPQFJHN-UHFFFAOYSA-N 248.631 4.118 30 40 BIEB O=C1/C(=C/c2ccccc2)Sc2ccccc21 161064 BWBFNVYHZVSITL-UVTDQMKNSA-N 238.311 4.016 30 40 BIEB CC(C)CC[C@]1(CC#N)CCO[C@@H](C(C)C)C1 4073139 YFXQPIJQPBZPRS-CABCVRRESA-N 237.387 4.158 30 40 BIEB biogenic CC(C)CC/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366406 DTJZROOJTHRHMV-ARRLWOLASA-N 234.383 4.374 30 40 BIEB CC(C)(C)c1ccc(/N=C/c2ccccn2)cc1 3241699 WGYXOGZORSFZQK-LDADJPATSA-N 238.334 4.130 30 40 BIEB Clc1ccccc1/C=N/C1CCCCC1 17004766 QYYSYTFBGDYCRM-XNTDXEJSSA-N 221.731 4.092 30 40 BIEB C=C(Br)CCc1ccc(C)cc1C 71795060 ODODSGUASPXHKE-UHFFFAOYSA-N 239.156 4.145 30 40 BIEB Cl/C(=N/c1ccccc1)c1ccccc1 101162577 WFOFSUPMQDLYOM-FYWRMAATSA-N 215.683 4.004 30 40 BIEB C=C(CCC=C(C)C)[C@@]1(O)CC=C(C)CC1 13377600 ZHXGVJMDQRNTOC-OAHLLOKOSA-N 220.356 4.150 30 40 BIEB biogenic C=C(C)[C@@H]1CC[C@@](C)(C#N)O[C@H]1c1ccccc1 102805655 DVQNXGZOKQJBCC-JYJNAYRXSA-N 241.334 4.013 30 40 BIEB biogenic CCCCCCCc1ccc(C(=O)OCC)cc1 101105842 YQTVVNWGTYLZDR-UHFFFAOYSA-N 248.366 4.376 30 40 BIEB CCn1c(C)cc(/C=N\c2cccc(C)c2)c1C 409076014 WNGITSXFFCXPJY-BOPFTXTBSA-N 240.350 4.184 30 40 BIEB C[C@@H](S)C(c1ccccc1)c1ccccc1 20476574 LMJJMBIZDAEUNS-GFCCVEGCSA-N 228.360 4.137 30 40 BIEB CCCC[C@@H](CC)C/N=C(C)\C=C(\C)O 104357593 SHZLQULYEIQKPC-GXNMLOCZSA-N 211.349 4.126 30 40 BIEB CCCCCCCCC[C@H]1OCC[C@H](C)O1 1874381 DRHWPDCYULTYSA-KBPBESRZSA-N 228.376 4.279 30 40 BIEB Cc1ccc(/N=C/c2sccc2C)cc1C 100004984 FYRBWATZKJFTRA-OQLLNIDSSA-N 229.348 4.424 30 40 BIEB CCCC[C@H](CC)C[C@H](CC)COC[C@H]1CO1 242463835 DNYHBENUJOKOEB-KKUMJFAQSA-N 242.403 4.035 30 40 BIEB CCCCc1ccc(C#CCC(C)C)cc1 95633296 SSAXTFUOEHMVHY-UHFFFAOYSA-N 214.352 4.427 30 40 BIEB CCCCCCCCCSCCS 1732100 JBSVYJUXSHWWMR-UHFFFAOYSA-N 220.447 4.400 30 40 BIEB C=CCc1ccc(SCCCC)cc1 95731220 KXABTSUKGRICQA-UHFFFAOYSA-N 206.354 4.307 30 40 BIEB [N-]=[N+]=Nc1ccc(Br)cc1Cl 37392561 FRWVNWRMWLQQEA-UHFFFAOYSA-N 232.468 4.044 30 40 BIEB in-vitro CSC1=CCCS/C1=N\c1ccccc1 16248650 LFRNEUZYTINIQD-SEYXRHQNSA-N 235.377 4.100 30 40 BIEB CCCCCCC#Cc1ccc(F)c(F)c1 101733291 CXZVUFDVZYNUJP-UHFFFAOYSA-N 222.278 4.287 30 40 BIEB CCCCCCCOC(=O)/C=C/c1ccccc1 1850760 DCXNRXBLAGAHIL-OUKQBFOZSA-N 246.350 4.213 30 40 BIEB CCCCCCCCC(=O)N1[C@@H](C)CC[C@H]1C 1733487 TVTTUZJFYZHBDE-OKILXGFUSA-N 239.403 4.136 30 40 BIEB CCCCCCC(=O)/C=C\c1ccccc1OC 17119960 CBYDBBWQEHUEDT-SEYXRHQNSA-N 246.350 4.248 30 40 BIEB CCCCCCCC(=O)/C=C/c1ccc(O)cc1 102990818 OSHSLMUZKCDEDD-DHZHZOJOSA-N 246.350 4.335 30 40 BIEB biogenic Cc1cccc(/C=C/C(=O)c2cccc(C)c2)c1 71793424 NSBPAQMKLQXTEO-MDZDMXLPSA-N 236.314 4.200 30 40 BIEB C=C(Cl)Cc1cc(Cl)ccc1Cl 71795088 LFRFBDQNQXSJLF-UHFFFAOYSA-N 221.514 4.288 30 40 BIEB CCCCCCC#Cc1cc(OC)cc(OC)c1 101733457 LDJYTGXXPGRRJO-UHFFFAOYSA-N 246.350 4.026 30 40 BIEB CC(C)C[C@](C)(C#N)N=N[C@@](C)(C#N)CC(C)C 256091422 WYGWHHGCAGTUCH-ZIAGYGMSSA-N 248.374 4.095 30 40 BIEB CC(C)=C1C/C=C(/C)CC/C=C(\C)CC1=O 12153221 CAULGCQHVOVVRN-CZAVNJROSA-N 218.340 4.359 30 40 BIEB biogenic,in-vitro CCCCCCCCC[C@@H](C)CC(=O)O 59658579 KZNOWILOENIYSH-GFCCVEGCSA-N 214.349 4.238 30 40 BIEB N#Cc1cc(Cl)ccc1SC1CCCC1 62829626 KASFATLGALONTM-UHFFFAOYSA-N 237.755 4.246 30 40 BIEB in-vitro CCCCc1ccc(C#Cc2cccc(N)c2)cc1 37547829 GLFSMKWWHYKCFW-UHFFFAOYSA-N 249.357 4.011 30 40 BIEB C=C(Cl)CCCc1ccc(SC)cc1 1848444252 BYTJEKCBZFFCJC-UHFFFAOYSA-N 226.772 4.484 30 40 BIEB CC(=O)/C1=C\CCCCCCCCCC1 100221586 MLCBOXBUBJRZHC-KAMYIIQDSA-N 208.345 4.416 30 40 BIEB N#Cc1ccc(/N=C/c2ccc(Cl)s2)cc1 408965971 KMKRGGHBXCQCKN-OVCLIPMQSA-N 246.722 4.024 30 40 BIEB N#CCCCSc1cc(Cl)ccc1Cl 19847575 MCFQHUIPMIZDGO-UHFFFAOYSA-N 246.162 4.389 30 40 BIEB O=C(/C=C\c1cccs1)/C=C\c1cccs1 33290904 IWLDEULFZPGROA-SFECMWDFSA-N 246.356 4.105 30 40 BIEB CCC(=O)/C(C)=C/C1=C(C)CCCC1(C)C 33845063 KTGXDHVCKICOMQ-ZRDIBKRKSA-N 220.356 4.438 30 40 BIEB O=C(/C=C/c1ccccc1)c1cc2ccccc2o1 4350268 WDZFYPFTSPWFFF-ZHACJKMWSA-N 248.281 4.329 30 40 BIEB CCCCCCC[C@H](O)c1ccccc1 95749577 MNBCPXKENXMEEJ-AWEZNQCLSA-N 206.329 4.081 30 40 BIEB CCCCCCC/C(=N\O)c1ccccc1 100924910 KWAWZYOGDNCRLX-CCEZHUSRSA-N 219.328 4.225 30 40 BIEB Clc1ccc(/C=N\c2ccccc2)cc1 101481921 CFBVFBIZXQEQHX-GDNBJRDFSA-N 215.683 4.091 30 40 BIEB Clc1cccc(N=C2CCCCC2)c1 4416890 IFKDJXCSZLTQJR-UHFFFAOYSA-N 207.704 4.377 30 40 BIEB C=CC[C@H](Nc1ccco1)c1ccccc1 355863 HFOXDWQEQRXDBQ-ZDUSSCGKSA-N 213.280 4.009 30 40 BIEB C=C(Br)CCCCCCCC#N 15020299 OWVKLLABQABUHF-UHFFFAOYSA-N 230.149 4.149 30 40 BIEB CC(C)c1ccc(Oc2ccc(C#N)cc2)cc1 11800953 KSRPIBAPJBQWGY-UHFFFAOYSA-N 237.302 4.474 30 40 BIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccccc1 39738155 OIQXFRANQVWXJF-RGCHEUQESA-N 240.346 4.095 30 40 BIEB in-vitro C=CC[C@H](N[C@H](C)c1ccccc1)c1ccco1 3315243 NLXVBBUYEXXZMJ-HIFRSBDPSA-N 241.334 4.248 30 40 BIEB O=C(/C=C/c1c[nH]c2ccccc12)c1ccccc1 3896921 XVTDCPBGCCPEBA-ZHACJKMWSA-N 247.297 4.064 30 40 BIEB biogenic O=C1/C(=C/c2ccccc2)CC[C@H]2CCCC[C@H]12 5124529 TXEVOSZFZIXULS-OVRLFXSLSA-N 240.346 4.239 30 40 BIEB O=C1/C(=C/c2cccs2)Sc2ccccc21 63595 QXTHPKYWGFIJDZ-WQLSENKSSA-N 244.340 4.078 30 40 BIEB CC(C)P(=O)(Cc1cccc(C#N)c1)C(C)C 2559256 XWXLGRKZBVPABR-UHFFFAOYSA-N 249.294 4.238 30 40 BIEB C=C[C@](C)(O)/C=C\C1=C(C)CCCC1(C)C 38609852 PZGYHDPZANRCSM-KLQCNHIUSA-N 220.356 4.006 30 40 BIEB C=CCc1ccc(Oc2ccccc2)cc1 43208776 WJFCDMWSDIGUPN-UHFFFAOYSA-N 210.276 4.207 30 40 BIEB CCCCCC#Cc1cc(F)cc(Cl)c1 59126896 DSUYWEVFYNIZFE-UHFFFAOYSA-N 224.706 4.411 30 40 BIEB C=C(C)CCCc1cc(F)c(F)c(F)c1 952961504 SZPVDZKLDIHWQS-UHFFFAOYSA-N 214.230 4.003 30 40 BIEB CCCCCCCNC/C=C/c1ccccc1 104148919 HLABRSDAKCVPLA-JLHYYAGUSA-N 231.383 4.260 30 40 BIEB CC(=O)/C(C)=C\C1=C(C)CCCC1(C)C 4578921 NSSHGPBKKVJJMM-LUAWRHEFSA-N 206.329 4.048 30 40 BIEB C/C(=N/N=C(\C)c1cccs1)c1cccs1 13144638 CVPWLODMVVPHSM-ZKLMZBBOSA-N 248.376 4.043 30 40 BIEB CC(/C=C/c1ccccc1)=N/Nc1ccccc1 17106695 ZIKCEPRFGILSQT-SQCSQLHISA-N 236.318 4.188 30 40 BIEB C=C(Cl)Cc1ccc(Br)cc1C 1848444278 VIEVLHPNEVEEGE-UHFFFAOYSA-N 245.547 4.053 30 40 BIEB C=CCN1c2ccccc2Sc2ccccc21 38235479 GFVSLJXVNAYUJE-UHFFFAOYSA-N 239.343 4.475 30 40 BIEB in-vitro CCCC[C@H](CC)C(=O)c1ccc(F)c(C#N)c1 575361836 MPHLSJXDSKHISP-NSHDSACASA-N 247.313 4.096 30 40 BIEB CCCCCC#Cc1cc(F)c(F)c(F)c1 95726931 VXNLWHUOKNTFRK-UHFFFAOYSA-N 226.241 4.036 30 40 BIEB CC1(C)/C(=C\c2ccccc2)C(=O)c2ccccc21 100488459 KGQHTMOZOPSKTH-VBKFSLOCSA-N 248.325 4.244 30 40 BIEB C=C1C[C@H](C)O[C@@H]([C@@H]2CC=C(C)C[C@H]2C)C1 102774238 UKORLSVQLXXHOC-LXTVHRRPSA-N 220.356 4.103 30 40 BIEB CC(C)=CC(=O)c1ccc(C(C)(C)C)cc1 169147972 RKYCCWIAFUNHSW-UHFFFAOYSA-N 216.324 4.133 30 40 BIEB N#C[C@H](Cc1ccccc1)c1ccc(Cl)cc1 1712852 NVMUWWIKRDQQQC-AWEZNQCLSA-N 241.721 4.190 30 40 BIEB CC(=O)C1=C(C)[C@@H]2C[C@]3(C1)[C@@H](CC[C@H]3C)C2(C)C 25722230 YBUIAJZFOGJGLJ-SWRJLBSHSA-N 246.394 4.374 30 40 BIEB C=C(C)C(=O)c1ccccc1-c1ccccc1 575242641 ATVIEJVQSGJGBZ-UHFFFAOYSA-N 222.287 4.112 30 40 BIEB Cc1ccc(/N=C/c2ccc3ccccc3n2)cc1 236016 LNKUZZWFLMBFDA-LDADJPATSA-N 246.313 4.294 30 40 BIEB C[C@@H]1CCCC[C@@H]1[C@@](C)(C#N)Nc1ccccc1 5124690 LZSMQPUMOCDTML-VNQPRFMTSA-N 242.366 4.207 30 40 BIEB CC/C(C)=N\Nc1nc(-c2ccccc2)cs1 16676509 IMYKUKUFCNPNOY-GDNBJRDFSA-N 245.351 4.008 30 40 BIEB Cc1cc(C#Cc2ccccc2)ccc1Cl 95631669 BWXJJGGDZYYBHU-UHFFFAOYSA-N 226.706 4.048 30 40 BIEB C=C(C)Cc1cccc(-c2ccccc2)c1 95902222 PFGKIMBPUXSHQO-UHFFFAOYSA-N 208.304 4.472 30 40 BIEB C=CCOC(=O)CCCCCCC/C=C/C 1720170 KNRVYEZIFHTDRC-HWKANZROSA-N 224.344 4.022 30 40 BIEB O=C1C=Cc2c(-c3ccccc3)[nH]c3cccc1c23 2598939 KNSSOSQZRBNZCX-UHFFFAOYSA-N 245.281 4.044 30 40 BIEB C1=CCc2c(cccc2/N=C\c2ccccc2)C1 104329885 MWRMVLQOUVCAJY-AQTBWJFISA-N 233.314 4.092 30 40 BIEB CC1=C2C=C[C@@]3(C)CCCC[C@@H]3[C@@H]2CCC1=O 4759565 OVAFVKYBXXPAID-IIAWOOMASA-N 230.351 4.048 30 40 BIEB C[C@@H](C=O)Cc1ccc(C2CCCCC2)cc1 2046159 ZFIVSZPVPRXMEF-CYBMUJFWSA-N 230.351 4.112 30 40 BIEB Fc1ccc(/N=C/c2ccc(Cl)s2)cc1 224557957 TUXROQDNCOGHHK-VGOFMYFVSA-N 239.702 4.291 30 40 BIEB N#CC1(c2cc(Cl)ccc2Cl)CCCC1 95882047 ZEPPSIVTTCKELV-UHFFFAOYSA-N 240.133 4.329 30 40 BIEB CCCCCCCCC(=O)N(CCC)CCC 1733546 IWWJWEFNPQWPRK-UHFFFAOYSA-N 241.419 4.386 30 40 BIEB C[C@H]1CCCC[C@@H]1[C@@](C)(C#N)Nc1ccccc1 5124691 LZSMQPUMOCDTML-CWRNSKLLSA-N 242.366 4.207 30 40 BIEB C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@H]12 33833582 TYPSVDGIQAOBAD-UKRRQHHQSA-N 216.324 4.049 30 40 BIEB biogenic,in-vitro CCCCCCCCCCC(=O)c1ncco1 100300536 ZXRINHMDCFEPIR-UHFFFAOYSA-N 237.343 4.388 30 40 BIEB CCCCCCCC(=O)N1CCCC[C@@H]1CC 104156372 DDGXESIUFKKBLJ-AWEZNQCLSA-N 239.403 4.138 30 40 BIEB C=CCc1ccc(Cl)cc1C(F)(F)F 95631378 REGRONBFJIUPOH-UHFFFAOYSA-N 220.621 4.087 30 40 BIEB CC(C)CC[C@]1(CC#N)CCO[C@H](C(C)C)C1 2108674 YFXQPIJQPBZPRS-GJZGRUSLSA-N 237.387 4.158 30 40 BIEB biogenic C=CCCC/C=C/CNCCCCCC 5418088 JQVXNDRHHBCATL-ZRDIBKRKSA-N 209.377 4.069 30 40 BIEB C=C(C)C1(Cl)[C@H]2CC[C@@H]1c1ccccc12 71785920 UEYYYGADSBJPDY-PBWFPOADSA-N 218.727 4.215 30 40 BIEB C=C(C)COP(=O)(C=C(C)C)OCC(=C)C 1676911 FYIZJACNCGVGES-UHFFFAOYSA-N 244.271 4.289 30 40 BIEB C[C@H](S)c1cc(F)c(Cl)cc1Cl 37735179 SVMHGEDCHQFVEQ-BYPYZUCNSA-N 225.115 4.123 30 40 BIEB C[C@@](Cl)(C#N)Cc1cc(Cl)ccc1Cl 40545827 FDBHZUMYKLTVQM-JTQLQIEISA-N 248.540 4.057 30 40 BIEB C=C(C)CCCCCCCO[C@@H]1CCCCO1 43502567 SRKGHPDLQATWBO-HNNXBMFYSA-N 240.387 4.446 30 40 BIEB CCCCCC#Cc1ccc(Cl)cc1 95726874 FJFLXBNCVGFUJG-UHFFFAOYSA-N 206.716 4.272 30 40 BIEB C=CCCCCCCCC[C@@H]1OCC[C@H](C)O1 1589794 UCCCJFUKJUIYAE-LSDHHAIUSA-N 240.387 4.445 30 40 BIEB Cc1cc(Cl)ccc1N=C1SCS1 1816 XYJUOQPINFXBEZ-UHFFFAOYSA-N 229.757 4.073 30 40 BIEB in-man Cc1ccc(C#Cc2cc(F)cc(Cl)c2)cc1 95633330 FMCJNKKCRPMOKN-UHFFFAOYSA-N 244.696 4.187 30 40 BIEB Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 5286741 RMSIXEWBUNUTQC-CXUHLZMHSA-N 245.709 4.105 30 40 BIEB CCCCCCCC(=O)c1cccc(F)c1 101474142 BJIQGCRCYOOFSZ-UHFFFAOYSA-N 222.303 4.369 30 40 BIEB CC(C)=CC(=O)c1ccc(OC(C)(C)C)cc1 575357844 WBMSALDOMWFLBU-UHFFFAOYSA-N 232.323 4.013 30 40 BIEB Cc1ccc(C)c(/N=C/c2ccc(F)cc2)c1 524255 YLYJXIBXNUAJSC-LICLKQGHSA-N 227.282 4.193 30 40 BIEB CCCCCCCNCc1ccccc1C 100027104 RBVRZZQGXXIBPD-UHFFFAOYSA-N 219.372 4.055 30 40 BIEB CCCCCCCCC(=O)N1[C@H](C)CC[C@H]1C 1733489 TVTTUZJFYZHBDE-ZIAGYGMSSA-N 239.403 4.136 30 40 BIEB CC(C)c1cccc2cc(CC#N)c(Cl)nc12 11985317 OISXXVAZQINIPD-UHFFFAOYSA-N 244.725 4.078 30 40 BIEB Fc1ccc(/C=N/c2ccc(Cl)cc2)cc1 517086 LGUPYHGCMTUTDL-CXUHLZMHSA-N 233.673 4.230 30 40 BIEB CC(C)=CC(=O)c1cc(Cl)cc(Cl)c1 169152159 ZSGVUTWKUACSSQ-UHFFFAOYSA-N 229.106 4.142 30 40 BIEB Cc1ccccc1/N=C/C=N/c1ccccc1C 2182710 DNQDRIBUHNACIY-JYFOCSDGSA-N 236.318 4.408 30 40 BIEB C/C(=C/c1cccs1)C(=O)c1ccccc1 5181086 LEPLJTISNLVVQD-KHPPLWFESA-N 228.316 4.034 30 40 BIEB C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1c1ccccc1 12656088 XIOOYALQQNYIFZ-VHDGCEQUSA-N 216.324 4.119 30 40 BIEB biogenic