smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC(=O)c1c2ccccc2cc2ccccc12 100506288 FMKFDGUBVPIERQ-UHFFFAOYSA-N 231.254 3.699 30 50 BHEA Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 5102183 WSNQCLMGWCDWPM-IZZDOVSWSA-N 238.286 3.597 30 50 BHEA biogenic Cc1cccc(-c2nc3cc(C#N)ccc3[nH]2)c1C 67968040 IULXCRMGIUIRCM-UHFFFAOYSA-N 247.301 3.718 30 50 BHEA C=C/C(O)=N/Cc1cc2sccc2s1 328597210 FVRZPLBJLIDQBN-UHFFFAOYSA-N 223.322 3.605 30 50 BHEA N#CC[C@H](c1ccccc1)[C@H](C#N)c1ccccc1 1717518 VMGJZNFGBHNTEV-IAGOWNOFSA-N 246.313 3.991 30 50 BHEA CCn1c2ccccc2c2cc(C#N)ccc21 2876967 WMRDSAJESGGFHQ-UHFFFAOYSA-N 220.275 3.686 30 50 BHEA in-vitro Cc1ccc(/C=C/C(=O)c2ccccc2O)cc1 4252606 OOEWKJHFFYCQBM-ZHACJKMWSA-N 238.286 3.597 30 50 BHEA in-vivo C=C(C)CN(CC)C/C=C/c1ccccc1OC 23281795 AQUNDZDCRLWAJT-CSKARUKUSA-N 245.366 3.606 30 50 BHEA CCCCCCCOC(=O)c1cccc(O)c1 101367440 JNSZWRSIRLNKJQ-UHFFFAOYSA-N 236.311 3.519 30 50 BHEA COc1cc(Cl)ccc1-c1ccc(C#N)cc1 74937807 NRUFTPOINAANME-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro C#Cc1cccc2cccc(Br)c12 138341120 DBXMOUKJDSUHAY-UHFFFAOYSA-N 231.092 3.584 30 50 BHEA C[C@@]12CCCCC1=C1CCC(=O)C=C1CC2 197117390 RIYMBQBNVBVOLY-HNNXBMFYSA-N 216.324 3.946 30 50 BHEA CCCCCC#CCN(C(C)C)C(C)C 1666135 CRGAHVBZGPKPKM-UHFFFAOYSA-N 209.377 3.689 30 50 BHEA Fc1cc(F)c(OC(F)(F)F)c(C(F)F)c1 263623188 FMAGUDLWSLBGFM-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA Cc1ccc([C@@]2(CC#N)CCOC(C)(C)C2)cc1 244158 HMCMXGAKKRTKED-INIZCTEOSA-N 243.350 3.736 30 50 BHEA C=C1c2ccccc2C(=C)[C@@]23O[C@@]12[C@H]1C=C[C@H]3CC1 101047574 OHICDALCCAJYJS-DFEHZGFQSA-N 248.325 3.830 30 50 BHEA Oc1cccc(/N=C/C=C/c2ccccc2)c1 2172567 LAMWJTQGOKUQKO-FEPROMLASA-N 223.275 3.808 30 50 BHEA CN(/N=C/C=C/c1ccccc1)c1ccccc1 3080581 ZSBHGKJZMOSKGW-LDRANXPESA-N 236.318 3.822 30 50 BHEA CCCCCCCCC(C)(C)C(=O)O 1555541 QTZDCGSNJUZNBJ-UHFFFAOYSA-N 200.322 3.848 30 50 BHEA Cc1cc(-c2ccccc2C#N)ccc1F 74937812 HTTKUXUOHWLPQZ-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro CC1(C)C[C@H]2C[C@H]1[C@H]1C=C([Si](C)(C)C)C(=O)[C@@H]21 216556842 YLKLNPGBMYCDBS-DCQANWLSSA-N 248.442 3.671 30 50 BHEA N#Cc1cccc(OCc2ccccc2Cl)c1 2876690 YMKIFUFZYJZATC-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA CCCC[C@@](C=O)(CC)CN1CCC(C)CC1 15442231 UQBWIPUTEFXFQN-HNNXBMFYSA-N 239.403 3.504 30 50 BHEA CCCCC#C[C@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C 239009543 AUJQPZYPYUCBGA-FQLMCAECSA-N 234.383 3.613 30 50 BHEA O=C(/C=C/c1ccc(Cl)cc1)c1ccncc1 6512011 ZCYFIXMUCMZFLU-ZZXKWVIFSA-N 243.693 3.631 30 50 BHEA O=C(O)CCCCCCCCCCCS 12954423 SDAWVOFJSUUKMR-UHFFFAOYSA-N 232.389 3.902 30 50 BHEA CCc1cc(CC)c(C#[N+][O-])c(CC)c1C#[N+][O-] 5197328 YHVONUJRRJSXSP-UHFFFAOYSA-N 244.294 3.731 30 50 BHEA C=C[C@H](CCC(=C)C)[C@H](C(=O)OC)C(C)C 43198917 HQVGIOAYBCXMJM-CHWSQXEVSA-N 224.344 3.590 30 50 BHEA Cc1cc(-c2ccsc2C#N)cs1 725245691 LFHILLBXTJKDOI-UHFFFAOYSA-N 205.307 3.657 30 50 BHEA COc1cccc(C[C@@H](C#N)c2ccccc2)c1 41278674 ILYACBSUYYVMCA-HNNXBMFYSA-N 237.302 3.545 30 50 BHEA CC1(C)CCC=C(B2OC(C)(C)C(C)(C)O2)C1 206183787 FEKWCSASKKVYKT-UHFFFAOYSA-N 236.164 3.754 30 50 BHEA N#Cc1ccc(C(F)(F)F)c(C(F)F)c1 263622935 CGDPDOPMAJRTTO-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA CC(=O)/C=C/c1ccc(Cl)cc1Cl 2169300 SAEQHTBHPNKKRX-NSCUHMNNSA-N 215.079 3.596 30 50 BHEA Fc1cc(C(F)F)cc(OC(F)(F)F)c1F 263624982 VTMIVDOLXSDAHY-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA CC(=O)/C(C)=C\[C@@H]1C(C)=CCCC1(C)C 1693890 JRJBVWJSTHECJK-PRWOLLLXSA-N 206.329 3.904 30 50 BHEA C=C[C@@H](Oc1ccc(C=O)cc1)c1ccccc1 35139 RDXSLMBOVLZRDC-MRXNPFEDSA-N 238.286 3.805 30 50 BHEA CCCCCCCNC(=O)C1[C@@H]2CCCC[C@@H]12 103015397 STGNEYLWUBUELQ-CHWSQXEVSA-N 237.387 3.509 30 50 BHEA N#CCc1cccc(Oc2ccccc2)c1 155315 DKGMALJGFUHPGB-UHFFFAOYSA-N 209.248 3.545 30 50 BHEA in-vitro Cc1ccc(-c2ccccc2C#N)cc1F 74937813 QOJOHIJJQKQFGY-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro CCC[N@@+](C)(CC#CC1CC1)C1CCCCC1 239297282 DXYFEPKXQNSHLY-KRWDZBQOSA-N 234.407 3.589 30 50 BHEA C=C1CC[C@@]2(C)[C@H](O)[C@H]1[C@@]1(C)CCC[C@@]21C 253595827 JKHYQMRSAYOHOA-VYDRJRHOSA-N 220.356 3.530 30 50 BHEA C[C@H]1CCC[C@@H](C)N1CCCCCCC#N 44125922 BKUYXTAQDRRERJ-OKILXGFUSA-N 222.376 3.723 30 50 BHEA O=C(/C=C/Nc1ccc(Cl)cc1)c1ccco1 608704 BLQLNHWNKSKQKT-BQYQJAHWSA-N 247.681 3.742 30 50 BHEA CC/C(CC(C)(C)c1ccccc1)=N\O 13111267 YMWBYYZCUUFDSY-WYMLVPIESA-N 205.301 3.595 30 50 BHEA Cc1cccc(C)c1OCCCCCS 22780400 IBRNJJQEJZPRSV-UHFFFAOYSA-N 224.369 3.782 30 50 BHEA CC(C)[C@](C)(C#N)Nc1ccc(Cl)cc1 163184 SIVMWLCPFNVNHN-LBPRGKRZSA-N 222.719 3.690 30 50 BHEA C=C1CN(C(c2ccccc2)c2ccccc2)C1 38302584 KHPQTAVKWSGAOL-UHFFFAOYSA-N 235.330 3.648 30 50 BHEA in-vitro C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@@H]12 263598280 HRYLQFBHBWLLLL-KBPBESRZSA-N 232.323 3.551 30 50 BHEA biogenic O/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1 11993641 XLAAMNHYXQWXPI-OQLLNIDSSA-N 247.681 3.940 30 50 BHEA C=C[C@@]1(C)Cc2occ(C)c2C(=O)[C@@H]1C(=C)C 13412797 ZVMJXSJCBLRAPD-ZFWWWQNUSA-N 230.307 3.711 30 50 BHEA endogenous,in-man N#Cc1cc(Cl)nc(Oc2cccc(F)c2)c1 122560973 NFRLSUWUVXZOOZ-UHFFFAOYSA-N 248.644 3.538 30 50 BHEA CSc1nc(-c2ccccc2)cc(C)c1C#N 100794 FMAHSTUBSMNIDG-UHFFFAOYSA-N 240.331 3.651 30 50 BHEA N#CCc1ccc(-c2ccc(F)cc2)cc1 16946557 UYVRVRSTVWIIAE-UHFFFAOYSA-N 211.239 3.559 30 50 BHEA in-vitro O=C(/C=C/c1ccc(F)cc1)c1ccc(F)cc1 4284063 AZBVDMNDUOURGI-XCVCLJGOSA-N 244.240 3.861 30 50 BHEA in-vitro O=Cc1ccccc1C#Cc1ccc(Cl)cc1 218501458 HNQIDONJUXEQLQ-UHFFFAOYSA-N 240.689 3.552 30 50 BHEA CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1 56961 MKILROQBJOOZKC-UHFFFAOYSA-N 234.302 3.881 30 50 BHEA in-vitro CCOc1ccc(/N=C/c2ccccc2O)cc1 17353454 IJWFUEBTMMXDMR-LFIBNONCSA-N 241.290 3.542 30 50 BHEA C#CC1(O)CCCCCCCCCCC1 3881850 DCHDUZYXRMNPCU-UHFFFAOYSA-N 208.345 3.655 30 50 BHEA O=C1/C(=C/c2ccccc2)CCc2ccccc21 1036032 JNRAEZULKWNOQO-NTCAYCPXSA-N 234.298 3.899 30 50 BHEA COc1cccc(/C=N/c2cccc(C)c2)c1 2171209 FNCMYPPIVUBSTC-LFIBNONCSA-N 225.291 3.754 30 50 BHEA CCOc1ccc(-c2ccc(C#N)cc2)cc1 5863544 VETJRGXWDLHERN-UHFFFAOYSA-N 223.275 3.624 30 50 BHEA in-vitro O/N=C1\CCCC[C@@H]1c1ccccc1Cl 71773219 UXBNNZONDFQROZ-NOHQBZTLSA-N 223.703 3.828 30 50 BHEA C=C(C)[C@H]1CC[C@H](C(=C)C)OC(C)(C(=C)C)O1 393167 VUCBSNDYZQYPPE-ZIAGYGMSSA-N 236.355 3.995 30 50 BHEA N#Cc1ccc(/N=N/c2ccccc2)cc1 22015548 KFGLGJJFHLSWSU-FOCLMDBBSA-N 207.236 3.974 30 50 BHEA C#CC(O)(C1CCCCC1)C1CCCCC1 6620215 CDBKXBLTORGAHK-UHFFFAOYSA-N 220.356 3.511 30 50 BHEA CC1(C)C[C@H]([C@H](CC#N)c2ccccc2)CCO1 288903 CXUZVNXBMDSHBB-HUUCEWRRSA-N 243.350 3.889 30 50 BHEA C1CC12CCC13CCC4(CC4)C21[C@]1(CC3)CO1 45071333 UZLWLGGXCVQIGW-PCKAHOCUSA-N 230.351 3.670 30 50 BHEA CCCCCCCC/N=C/c1ccccn1 97944276 XTOAVCKZNAHVEP-FYWRMAATSA-N 218.344 3.861 30 50 BHEA N#Cc1ccc(C(F)F)c(C(F)(F)F)c1 263623259 FZVBLWMPYYPKIV-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA O=C(/C=C/c1cccc(Cl)c1)c1cccnc1 6224869 PBQDSGWKNQEJFH-VOTSOKGWSA-N 243.693 3.631 30 50 BHEA CCCCCCCCCC[C@H]1COC(=O)N1 100024663 IUWVYVOQTFVXKL-LBPRGKRZSA-N 227.348 3.626 30 50 BHEA in-vitro CCn1c2ccccc2c2cc(/C=N/O)ccc21 100044146 FTCBKTWYMQRPFV-MHWRWJLKSA-N 238.290 3.623 30 50 BHEA [N-]=[N+]=Nc1cccc(Br)c1F 575566568 MAHKVOVYGRYDPL-UHFFFAOYSA-N 216.013 3.530 30 50 BHEA C=C(C)[C@@H]1CCC(C)=C1CC/C(C)=N\O 321796 VFPXOSMLLKRTKH-PBBNAPBQSA-N 207.317 3.919 30 50 BHEA C=C1c2ccccc2C(=C)[C@@]23O[C@]12[C@H]1C=C[C@H]3CC1 101047576 OHICDALCCAJYJS-USJZOSNVSA-N 248.325 3.830 30 50 BHEA COc1ccccc1/C=N/c1ccc(C)cc1 498757 XDXCHEHKQLVTAR-LFIBNONCSA-N 225.291 3.754 30 50 BHEA CCC(=O)/C=C\[C@@H]1C(C)=CCCC1(C)C 31284451 VPKMGDRERYMTJX-LJTDUEICSA-N 206.329 3.904 30 50 BHEA N#Cc1ccc2c(ccc3ccccc32)c1 39236713 JPNFMNRDEZPDJH-UHFFFAOYSA-N 203.244 3.865 30 50 BHEA CC(=O)/C=C/[C@@H]1C(C)=CC[C@H](C)C1(C)C 1531537 JZQOJFLIJNRDHK-MDQMCFMNSA-N 206.329 3.760 30 50 BHEA endogenous,in-man C#CCn1c(C2CCCCC2)nc2ccccc21 6677867 OKZVEHICYDCVER-UHFFFAOYSA-N 238.334 3.717 30 50 BHEA C=C1CC[C@@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@@]12C 253595824 JKHYQMRSAYOHOA-AICCOOGYSA-N 220.356 3.530 30 50 BHEA N#Cc1cc(C(F)(F)F)ccc1C(F)F 263623469 HSKHVNHSAFHKGG-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA C=C(C)c1ccc2c(c1)C1(CCCCC1)C(=O)N2 649444083 ALUFNPDLMPVJAW-UHFFFAOYSA-N 241.334 3.874 30 50 BHEA Oc1ccccc1/C=N/c1cccc(Cl)c1 95851243 LNPIEQXKHFAABI-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA Cc1ccc(C#Cc2ccc(C)cc2)cc1 1037158 OFDOCXDLDQXWIX-UHFFFAOYSA-N 206.288 3.703 30 50 BHEA N#Cc1cccc(-c2cc(F)cc(F)c2)c1 49815761 LQGPJBUJWILMAW-UHFFFAOYSA-N 215.202 3.503 30 50 BHEA in-vitro CCCCSc1nc2c(cc1C#N)CCCC2 4978427 XZHAFYIWTBFTRY-UHFFFAOYSA-N 246.379 3.724 30 50 BHEA Cc1ccc(C(=O)/C=C/C=C(Cl)Cl)o1 12341427 DRNDAYAFXFUBBZ-NSCUHMNNSA-N 231.078 3.646 30 50 BHEA COc1ccc(/C=C/C(C)=C/C=C/C(C)=O)cc1 5008726 QMMBJYNLQSWZHB-KEPDQRBWSA-N 242.318 3.800 30 50 BHEA Cn1c2c(c3cc(Cl)ccc31)CCC[C@H]2C#N 5331182 YJJPUDAYHANWJX-VIFPVBQESA-N 244.725 3.775 30 50 BHEA Clc1ccccc1[C@]12CCCCC[C@H]1O2 44125507 FEDMFSBPKMMCMG-CHWSQXEVSA-N 222.715 3.898 30 50 BHEA C=CCOc1ccccc1CN1CCCCCC1 4988266 GSGIRZULBJBGNW-UHFFFAOYSA-N 245.366 3.627 30 50 BHEA Cc1cc(C)cc(Oc2ccccc2/C=N/O)c1 13396298 DQFGOUPURYYCII-MHWRWJLKSA-N 241.290 3.904 30 50 BHEA CC[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169747763 NTSKENROBGXZLC-LLVKDONJSA-N 236.164 3.754 30 50 BHEA in-vitro CCCCCCCC(=O)c1ccc(N)cc1 2000367 IMQPGJKTCYTPEI-UHFFFAOYSA-N 219.328 3.812 30 50 BHEA in-vitro Cc1ccc(/C=C/C(=O)c2cccs2)cc1 5745150 ZKDGBNNVZGEXLH-CMDGGOBGSA-N 228.316 3.953 30 50 BHEA COc1ccc(Cl)c(-c2cccc(C#N)c2)c1 85477028 OZFTUUVOECZVFM-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro Oc1ccc(N=C2CCCCC2)c(F)c1 238727814 PWWRQHCPDHQAPK-UHFFFAOYSA-N 207.248 3.568 30 50 BHEA N#C[C@H](c1ccccc1)c1ccc(N)cc1Cl 58152 ISOPQUKKXCXJIJ-CYBMUJFWSA-N 242.709 3.578 30 50 BHEA CCCCCCCC(=O)Nc1ccccc1 2029692 UQLCRQPLVWWHDC-UHFFFAOYSA-N 219.328 3.986 30 50 BHEA Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)o1 4612925 TWJRBPVFXFCRNI-VMPITWQZSA-N 230.238 3.623 30 50 BHEA C#CCC[C@@H]1CC(=O)C(C)(C)C[C@@H]1C(C)C 43762091 ICSVSCCOCWRDPQ-CHWSQXEVSA-N 220.356 3.677 30 50 BHEA C=C1N(C)c2ccc(Cl)cc2C1(C)C 119647 VDMXGJJMPKAYQP-UHFFFAOYSA-N 207.704 3.581 30 50 BHEA in-vitro CC(C)=NOC(=O)Nc1c(C)cccc1Cl 4776591 AORBLCKTKSKWDH-UHFFFAOYSA-N 240.690 3.593 30 50 BHEA N#C[C@@H]1CC1(c1ccccc1)c1ccccc1 1709899 DHLFXGMJDRNWME-HNNXBMFYSA-N 219.287 3.516 30 50 BHEA in-vitro C=C(C)CC/C=C(/C)CCC(=O)OCC 4533360 OCDABDCLHDBVBE-WQLSENKSSA-N 210.317 3.632 30 50 BHEA COc1ccc(/C=N/c2ccccc2C)cc1 2165705 VSSBGSOXCQJSIY-LFIBNONCSA-N 225.291 3.754 30 50 BHEA N#CCc1cc(C(F)(F)F)cc(Cl)c1F 2382186 VUHAOUHLFDSYEE-UHFFFAOYSA-N 237.583 3.564 30 50 BHEA in-vitro CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C 100004273 JRJBVWJSTHECJK-YGNAEDSMSA-N 206.329 3.904 30 50 BHEA endogenous,in-man N#Cc1ccc(C(F)(F)F)cc1C(F)F 263623019 CWDNICHSLJHKQS-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA CC(C)(C)c1ccccc1SCCC#N 79890129 JXCNNSQUATYACN-UHFFFAOYSA-N 219.353 3.990 30 50 BHEA CC1(C)C[C@H]2C[C@H]1[C@@H]1C=C([Si](C)(C)C)C(=O)[C@@H]12 216556885 YLKLNPGBMYCDBS-MPPDQPJWSA-N 248.442 3.671 30 50 BHEA N#Cc1cc2ccc(C(F)(F)F)cc2s1 260126786 TULVEWJHOKJORR-UHFFFAOYSA-N 227.210 3.792 30 50 BHEA COc1cccc(/C=N/c2ccccc2C)c1 2171205 LGENQVXSBSICPE-LFIBNONCSA-N 225.291 3.754 30 50 BHEA Cc1ccc(C)c(N/C=C/C(=O)C(C)(C)C)c1 17111204 VSSLHUHJTPEKGC-CMDGGOBGSA-N 231.339 3.844 30 50 BHEA Cc1ccc(C(=O)/C=C/c2ccccc2)s1 4802309 AOUMOFQEBZGSPD-CMDGGOBGSA-N 228.316 3.953 30 50 BHEA O=C(/C=C/c1cccc(Cl)c1)c1ccccn1 4010875 HYYAYBSDFNHBDZ-BQYQJAHWSA-N 243.693 3.631 30 50 BHEA O=C[C@H](CCc1ccccc1)c1ccccc1 44125639 CJAPHIYIVRWHRB-INIZCTEOSA-N 224.303 3.602 30 50 BHEA CCC1=C/C(=C\N(C)c2ccccc2)C(=O)S1 100288515 SXHJFACKRQUEPO-ZHACJKMWSA-N 245.347 3.574 30 50 BHEA Cc1ccc(/N=C/c2cccs2)cc1 17060216 GYARZCLYECUPMA-UKTHLTGXSA-N 201.294 3.807 30 50 BHEA C=CCn1c(C(C)(C)C)nc2ccccc21 561394 WLIRSLMNCFWNRR-UHFFFAOYSA-N 214.312 3.520 30 50 BHEA CC(=O)/C=C/[C@H]1C(C)=CC[C@H](C)C1(C)C 2584370 JZQOJFLIJNRDHK-SXDPYWSBSA-N 206.329 3.760 30 50 BHEA endogenous,in-man CC(C)=CCCC#CCCO[C@@H]1CCCCO1 3106351 JHDAPVQEKHAILG-HNNXBMFYSA-N 236.355 3.670 30 50 BHEA N#Cc1cccc(-c2cccc3cnccc23)c1 65498217 DCXDIWMFYWFPAI-UHFFFAOYSA-N 230.270 3.773 30 50 BHEA Cc1c(Cl)ccc2cc(C#N)c(Cl)nc12 11985231 JTQXUNOKCQNFDL-UHFFFAOYSA-N 237.089 3.722 30 50 BHEA N#CC[C@@H](Oc1ccccc1)c1ccccc1 404991 RXSVDKSZSJVKDQ-OAHLLOKOSA-N 223.275 3.720 30 50 BHEA O=C1CCCC/C1=C\Nc1cccc(Cl)c1 15228199 JECSIBAGMRTLMD-MDZDMXLPSA-N 235.714 3.779 30 50 BHEA Cc1ccc2c(c1)Oc1cc(C#N)c(C#N)cc1O2 1443508 LUTOCZOEIDFXAL-UHFFFAOYSA-N 248.241 3.636 30 50 BHEA CCCCCc1ccc(C(=O)/C=C/N(C)C)cc1 1772715414 PCCACGMYZGLDAC-OUKQBFOZSA-N 245.366 3.677 30 50 BHEA CCCCCCCC(=O)OCC(C)C 1608724 CFQRBRGFNFRMBD-UHFFFAOYSA-N 200.322 3.546 30 50 BHEA biogenic,in-man CCCCS/C=C1/CCC[C@@H](C)C1=O 25625348 YKZJRIVWLPCINR-QLWWJYNRSA-N 212.358 3.793 30 50 BHEA [N-]=[N+]=Nc1c(F)cccc1Br 675050350 BXTQQZCPTMIHGM-UHFFFAOYSA-N 216.013 3.530 30 50 BHEA Cc1ccccc1Oc1ccc(C#N)cc1 5943210 SUKWZPMMFFMGGH-UHFFFAOYSA-N 209.248 3.659 30 50 BHEA C=CCN(CC=C)C(=O)Nc1ccc(C)cc1C 395273 VYCSIPKDQFNARP-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA CCCCCCCCC[C@@H](C)C(=O)O 100299557 PFFITEZSYJIHHR-LLVKDONJSA-N 200.322 3.848 30 50 BHEA C=CC[C@@](C)(C#N)Sc1ccc(C)cc1 199950259 JEDZOXJDXQBZIA-ZDUSSCGKSA-N 217.337 3.946 30 50 BHEA C=CC[C@@H](NCc1cccs1)c1ccco1 209317 DMTQRMFVEMKOGG-GFCCVEGCSA-N 233.336 3.748 30 50 BHEA in-vitro C=CCn1c(=S)sc2ccccc21 404866 MQEGGYFWBHVHGB-UHFFFAOYSA-N 207.323 3.618 30 50 BHEA C=CC[C@]1(O)CCCCCCCCCCC1=O 43198577 ZMOJHNJAOKIKKN-HNNXBMFYSA-N 238.371 3.777 30 50 BHEA Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 254307826 GSOZSSDYIVFJRF-UHFFFAOYSA-N 240.262 3.654 30 50 BHEA C=CCOc1ccccc1-c1ccccc1O 2172784 KVSUNYAWLODAJH-UHFFFAOYSA-N 226.275 3.624 30 50 BHEA N#C[C@@H]1CC2c3ccccc3C1c1ccccc12 1456191 XPVVUQSODGYUPA-OSSATUEASA-N 231.298 3.807 30 50 BHEA CCCCCCCNC(=O)NC1CCCCC1 59895088 FTGMRFVJYREUIV-UHFFFAOYSA-N 240.391 3.589 30 50 BHEA CCCCCCCCC1(C(=O)O)CCC1 101173734 VCNZCFVNRLWIQM-UHFFFAOYSA-N 212.333 3.992 30 50 BHEA CCCCCCCC[C@H]1CCCC(=O)O1 2575101 RZZLMGATMUAJPX-LBPRGKRZSA-N 212.333 3.833 30 50 BHEA biogenic,in-vitro N#CC1(CSc2cccc(O)c2)CCCC1 405217441 JDXMGFUJGVNCBV-UHFFFAOYSA-N 233.336 3.568 30 50 BHEA Fc1cc(OC(F)(F)F)cc(C(F)F)c1F 263624737 TUMFNSBVQNSFKY-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA C=CCn1c(CCCC)nc2ccccc21 15822054 DRNNVBPNKHISQM-UHFFFAOYSA-N 214.312 3.565 30 50 BHEA Cc1ccc([C@H](C#N)c2ccccc2)c(C)c1 95221330 MUZOOZSDJFIEBR-MRXNPFEDSA-N 221.303 3.959 30 50 BHEA Fc1cc(C(F)F)cc(F)c1C(F)(F)F 263623156 FEJNBWMRNULDAL-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA N#Cc1ccc(/C=C/C(=O)c2cccs2)cc1 4986128 UXNJASRGPZSIAN-BQYQJAHWSA-N 239.299 3.516 30 50 BHEA N#Cc1cccc(OCc2ccc(Cl)cc2)c1 2881886 NJSMUMCUHUPLTM-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA N#C[C@H]1CC2c3ccccc3C1c1ccccc12 1456192 XPVVUQSODGYUPA-LBWKMTJJSA-N 231.298 3.807 30 50 BHEA Cc1cccc(/C=N\N=C\c2cccc(C)c2)c1 5046724 WHDOTVYJQXLOJU-MJZABRMRSA-N 236.318 3.756 30 50 BHEA Cc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1 1711885 JDSLSASVXZTPLL-JYFOCSDGSA-N 236.318 3.756 30 50 BHEA Cc1ccc(N/C(S)=N\C2CCCC2)cc1 13482417 QJUXIXUKPFVNKL-UHFFFAOYSA-N 234.368 3.635 30 50 BHEA O=C(/C=C/c1ccccc1Cl)c1ccco1 4774980 DEOPYSWIQAMXMC-BQYQJAHWSA-N 232.666 3.829 30 50 BHEA CCCCCCCNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 584904260 STGNEYLWUBUELQ-WDNDVIMCSA-N 237.387 3.509 30 50 BHEA CC1(C)C[C@H]2C[C@H]1[C@@H]1C=C([Si](C)(C)C)C(=O)[C@H]12 216556799 YLKLNPGBMYCDBS-BLFANLJRSA-N 248.442 3.671 30 50 BHEA CCCC/N=C1/CCCc2ccccc2N1 7029938 SXAYFCFDXKGTLL-UHFFFAOYSA-N 216.328 3.633 30 50 BHEA C[C@@H]1CC(B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1 306577656 LNPLDQWYKSXELH-QWRGUYRKSA-N 238.180 3.905 30 50 BHEA N#Cc1ccc(-c2cccc(Cl)c2)cc1 1258522 MPNMDPMKZISVOK-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro C=C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 2530882 GBZVNPLYXNEEFL-GSVOUGTGSA-N 246.072 3.641 30 50 BHEA in-vitro CC/C(C)=N/N[C@@](C)(CC)c1ccccc1 4800320 BJXCJJPBJWPQDJ-YEQVNJDRSA-N 218.344 3.687 30 50 BHEA N#Cc1cccc(-c2nccn2C2CCCC2)c1 67446618 LGJKFHMKBKUNTQ-UHFFFAOYSA-N 237.306 3.537 30 50 BHEA CN1CCCCC/C1=N\c1ccc(Cl)cc1 102292245 MCDSYWNGBOPFNW-FYWRMAATSA-N 236.746 3.876 30 50 BHEA C#CCCCCN[C@@H](C)c1ccccc1Cl 130782009 CAWSFHBBNCDWIX-LBPRGKRZSA-N 235.758 3.794 30 50 BHEA C=CC[Si](CC=C)(CC=C)c1ccccc1 169818731 QFCLQSLLAYLBCU-UHFFFAOYSA-N 228.411 3.900 30 50 BHEA CCN(CC)c1ccc(C#C[Si](C)(C)C)cc1 200802082 CYXQCXQQFOKPOC-UHFFFAOYSA-N 245.442 3.762 30 50 BHEA N#CCC(c1ccccc1)c1ccccc1 1841332 INERKLNEVAZSCI-UHFFFAOYSA-N 207.276 3.732 30 50 BHEA in-vitro Cc1ccccc1/C=C/B1OC(C)(C)C(C)(C)O1 169988807 WWEMUFCPAKBVKQ-ZHACJKMWSA-N 244.143 3.640 30 50 BHEA Cc1cc(C2CCC2)nc(-c2ccccc2C#N)n1 426478020 NPSIFJQDBCLMCD-UHFFFAOYSA-N 249.317 3.591 30 50 BHEA N#Cc1cccc(C(F)F)c1C(F)(F)F 263624576 RSAWMMVCQUNGQR-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA C=CCOc1cccc(NC(=O)OC(C)(C)C)c1 12137996 YQVXPDNMXNIRLW-UHFFFAOYSA-N 249.310 3.598 30 50 BHEA C=C(C)C1(C(C)=O)[C@H]2CC[C@H]1c1ccccc12 101037509 KJFGWVHXBXGXIZ-GJZGRUSLSA-N 226.319 3.813 30 50 BHEA Cc1cccc(C)c1Oc1ccc(C#N)c(C#N)c1 555915 LJUVUOSWARAIBZ-UHFFFAOYSA-N 248.285 3.839 30 50 BHEA in-vitro Cc1ccc(/N=C/c2c[nH]c3ccccc23)nc1 100146962 AGSYJSJTIZKRMP-VCHYOVAHSA-N 235.290 3.622 30 50 BHEA Cc1cc(C)cc(/N=C/c2ccccc2O)c1 2171059 CYZZXVVZGARMGX-MHWRWJLKSA-N 225.291 3.760 30 50 BHEA SCCCCCCCCCCS 4362803 UOQACRNTVQWTFF-UHFFFAOYSA-N 206.420 3.967 30 50 BHEA in-vitro C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@@H]12 253636372 HRYLQFBHBWLLLL-UONOGXRCSA-N 232.323 3.551 30 50 BHEA biogenic,in-vitro Cc1ccc([C@H](CCC#N)OC(C)C)cc1 1691592 AFVNASUMPFJDPV-AWEZNQCLSA-N 217.312 3.765 30 50 BHEA C=C[C@H](O)C#CC#CC/C=C/CCCCCCC 85831743 UGJAEDFOKNAMQD-DVQDXYAYSA-N 244.378 3.847 30 50 BHEA endogenous,in-man C=C(C=C(C)C)C[C@H](O)c1ccc(C)cc1 169796991 XWJYEXBYEXWSJO-HNNXBMFYSA-N 216.324 3.941 30 50 BHEA CCC(C)(C)C1=CC(=O)C(C(C)(C)CC)=CC1=O 1713760 DHXFOYLEDAOQRR-UHFFFAOYSA-N 248.366 3.863 30 50 BHEA in-vitro CC1(C)OB([C@H]2C[C@@H]2c2ccccc2)OC1(C)C 203825979 UANSPBMADSQCLG-OLZOCXBDSA-N 244.143 3.636 30 50 BHEA C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12C[C@@H]1O[C@@]13C 245204841 HZRFVTRTTXBHSE-OYFKMHTJSA-N 220.356 3.626 30 50 BHEA Cc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 9280526 SMOQQQFKSFWYBN-UHFFFAOYSA-N 228.682 3.582 30 50 BHEA in-vitro C=CCOc1c(C)cc(C)cc1/C=C/C 1697515 PEPKGHHYUAMGBO-FNORWQNLSA-N 202.297 3.901 30 50 BHEA Cc1ccc(C)c(/N=C/c2ccccc2O)c1 18106401 QPXQTGFTSHXDAJ-MHWRWJLKSA-N 225.291 3.760 30 50 BHEA C=CCn1c(CC(C)(C)C)nc2ccccc21 572589 VBWWTSFJJGQXRB-UHFFFAOYSA-N 228.339 3.811 30 50 BHEA N#Cc1ccc(-c2ccc(Br)cc2)o1 406173 GJJXDBAOTCRRSG-UHFFFAOYSA-N 248.079 3.581 30 50 BHEA C#CCC[C@H]1CC(=O)C(C)(C)C[C@@H]1C(C)C 43762090 ICSVSCCOCWRDPQ-QWHCGFSZSA-N 220.356 3.677 30 50 BHEA C[C@@H](/N=C/c1ccc(O)cc1)c1ccccc1 246316 ROZHGGKQXAOVMK-PILJQMSFSA-N 225.291 3.572 30 50 BHEA CCCCCCCCCC1OCCO1 1874289 QPILHXCDZYWYLQ-UHFFFAOYSA-N 200.322 3.500 30 50 BHEA CCOc1ccc(N/C=C2/CCCCC2=O)cc1 18179204 SYQZMMKXAWAPBK-QXMHVHEDSA-N 245.322 3.524 30 50 BHEA C[C@]12CC=CC[C@@H]1[C@@H]1CCC(=O)C=C1CC2 100811892 GZZGLTRHSOLVJB-RBSFLKMASA-N 216.324 3.658 30 50 BHEA C=C(C)CN(C)c1cc(C)nc2ccccc12 302077162 WRWLYWNOEPQAPS-UHFFFAOYSA-N 226.323 3.556 30 50 BHEA Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2022410 ZBVDOILFQLAMEJ-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA in-vitro CCC(=O)/C=C\[C@H]1C(C)=CCCC1(C)C 4578645 VPKMGDRERYMTJX-YXVBKTCISA-N 206.329 3.904 30 50 BHEA C=CCC(N)(CC=C)c1cc(C)cc(C)c1 63772468 UFZWYHUVFAAUII-UHFFFAOYSA-N 215.340 3.610 30 50 BHEA N#Cc1c(Cl)ccc(Cl)c1Cl 33505803 QTUXEYXZJLVGOA-UHFFFAOYSA-N 206.459 3.518 30 50 BHEA CCCCCCCCCC(OC)OC 1677800 NCRNCSZWOOYBQF-UHFFFAOYSA-N 202.338 3.746 30 50 BHEA endogenous,in-man C=CCNCCCOc1ccccc1[C@H](C)CC 3000370 OKLKCUQOOJRPQQ-CQSZACIVSA-N 247.382 3.745 30 50 BHEA Cc1ccc(C(=O)/C=C/c2ccccc2O)cc1 16954452 WWNBWYJVZCFWRS-ZHACJKMWSA-N 238.286 3.597 30 50 BHEA C=C=C(C(=O)C1CCCCC1)[Si](C)(C)C 169828381 JHIZTCYUODNFON-UHFFFAOYSA-N 222.404 3.725 30 50 BHEA C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@H]12 263598282 HRYLQFBHBWLLLL-ZIAGYGMSSA-N 232.323 3.551 30 50 BHEA biogenic C=CC[C@H](NCc1ccccc1)c1ccco1 163935 WXPYPAIHLJNYIN-AWEZNQCLSA-N 227.307 3.687 30 50 BHEA Cc1ccc(-c2c(C)sc(N)c2C#N)cc1C 34143 DCBPEHRUEMDNGS-UHFFFAOYSA-N 242.347 3.794 30 50 BHEA Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1C 186173 NUWDOBHDAOIZDT-UHFFFAOYSA-N 243.350 3.988 30 50 BHEA C=C[C@@]1(C)CC[C@@H](Sc2ccccc2)O1 43762955 WXPGGWPJPSHGNY-OLZOCXBDSA-N 220.337 3.860 30 50 BHEA Cc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 85221650 PBURVCRHUSMFTJ-UHFFFAOYSA-N 234.258 3.531 30 50 BHEA C=CCC[C@@H](C)Nc1ccc(OC)c(F)c1 126889889 XUHGCKHRWQMKHN-SNVBAGLBSA-N 223.291 3.601 30 50 BHEA Fc1cc(C(F)F)c(C(F)(F)F)cc1F 263624816 UMEJAQRTDIRVDZ-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA CC[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@]2(C)O1 396029479 WHMUSDTWJRKCSL-OJROKELRSA-N 236.164 3.515 30 50 BHEA CC(C)[C@@H](C#N)c1ccc(Br)cc1 19728924 HVKBRQVNADDWAP-LLVKDONJSA-N 238.128 3.712 30 50 BHEA Cc1ccc2c(c1)O/C(=C/c1ccccc1)C2=O 39959523 RXNRDMZVQDXENM-XNTDXEJSSA-N 236.270 3.611 30 50 BHEA C#CCCCCN[C@H](C)c1ccccc1Cl 130782206 CAWSFHBBNCDWIX-GFCCVEGCSA-N 235.758 3.794 30 50 BHEA O=C1/C(=C/c2ccccc2)Cc2ccccc21 1043184 ITHXOKQJEXLMKO-GXDHUFHOSA-N 220.271 3.509 30 50 BHEA C=C1CCC(C(C)C)=C[C@@H]2[C@@H]1CC[C@@]2(C)O 15264421 BUPJOLXWQXEJSQ-RBSFLKMASA-N 220.356 3.696 30 50 BHEA biogenic,in-vitro C[C@@H](SC[C@H]1CCCO1)c1ccc(C#N)cc1 118443948 FPHCGSZILICBQX-BXUZGUMPSA-N 247.363 3.531 30 50 BHEA C[C@@H](CB1OC(C)(C)C(C)(C)O1)c1ccccc1 169746004 GTZNZJQZUWIDTN-LBPRGKRZSA-N 246.159 3.882 30 50 BHEA N#Cc1ccncc1Sc1ccc(Cl)cc1 1389025 RUJSXFWMSABFTA-UHFFFAOYSA-N 246.722 3.758 30 50 BHEA N#C[C@H](CC(=O)c1ccccc1)c1ccccc1 35025 JRWUFQJVJGKCCT-HNNXBMFYSA-N 235.286 3.567 30 50 BHEA Cc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2167093 JBZHWNXMZYBXDQ-UHFFFAOYSA-N 232.098 3.570 30 50 BHEA Cc1ccccc1NC(=O)ON=C1CCCCC1 4583045 QCBBAIAGZGBUQS-UHFFFAOYSA-N 246.310 3.864 30 50 BHEA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 35889 KWZDWUOSGNGFOU-SECBINFHSA-N 248.395 3.743 30 50 BHEA N#CCOc1cc(Cl)c(Cl)cc1Cl 1738563 MYTJZSJUEJWKNT-UHFFFAOYSA-N 236.485 3.549 30 50 BHEA CCc1ccc(-c2c(C)sc(N)c2C#N)cc1 2584870 MSDJEXNUCSDFIV-UHFFFAOYSA-N 242.347 3.740 30 50 BHEA Cc1cc(C)c(C#N)c(Nc2ccccc2C)n1 198374 JVUSGBZYLIGXOD-UHFFFAOYSA-N 237.306 3.622 30 50 BHEA C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12C[C@H]1O[C@@]13C 245204842 HZRFVTRTTXBHSE-XZSFVTMWSA-N 220.356 3.626 30 50 BHEA SCC1c2ccccc2-c2ccccc21 82073683 MXHVORUHWLKKMZ-UHFFFAOYSA-N 212.317 3.729 30 50 BHEA Fc1cc(OC(F)(F)F)c(F)c(C(F)F)c1 263623841 LDYQFMRQQTYSIN-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA COc1cccc([C@H](C#N)Cc2ccccc2)c1 41278681 YCGOJDMTPSVVPM-HNNXBMFYSA-N 237.302 3.545 30 50 BHEA C#CCCCCCCCCCCCC(=O)O 14722601 JNXXRQLAAJXERE-UHFFFAOYSA-N 224.344 3.995 30 50 BHEA in-vitro N#CC1(N=C(c2ccccc2)c2ccccc2)CC1 115479819 HRIPVXSRVSVPPR-UHFFFAOYSA-N 246.313 3.580 30 50 BHEA O=C(/C=C/C=C/c1ccco1)c1ccccc1 5681107 QQNBODTUWUYURK-HINBXAKRSA-N 224.259 3.732 30 50 BHEA C[C@H](Cc1ccccc1)/N=C/c1ccccc1 32168993 SOYOBNJMIDEWDC-INQVIGDZSA-N 223.319 3.737 30 50 BHEA N#C[C@@H](Cc1ccccc1)c1ccccc1 1044363 DRONDEZXOJEUGU-OAHLLOKOSA-N 207.276 3.536 30 50 BHEA C=CCN(CCCCCC)C(=O)c1ccccc1 3085993 HQWZKHRLLVOUEX-UHFFFAOYSA-N 245.366 3.895 30 50 BHEA Fc1ccccc1/C=N/Nc1ccccc1Cl 4105159 XUMZZOFSGKQHPZ-CXUHLZMHSA-N 248.688 3.925 30 50 BHEA CCCCC#C[C@@]1(O)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 239009544 AUJQPZYPYUCBGA-HGTKMLMNSA-N 234.383 3.613 30 50 BHEA C=CCCCC[C@@](C)(C(=O)OC)c1ccccc1 45074598 FHDPTBWTDDMOBY-MRXNPFEDSA-N 246.350 3.864 30 50 BHEA SCCCCCOc1ccc(Cl)cc1 16310861 LAOLASCZKRMWHW-UHFFFAOYSA-N 230.760 3.819 30 50 BHEA CC(C)=NNc1nc2c(C)cc(C)cc2s1 223246168 PYDZVDVCWZLYMS-UHFFFAOYSA-N 233.340 3.721 30 50 BHEA CC(C)c1ccc(C#CBr)cc1 601008700 VBMVIZFXECLTQQ-UHFFFAOYSA-N 223.113 3.514 30 50 BHEA COc1ccccc1/C=C/C(=O)c1cccs1 5008635 QRMITMXJSQXKJS-CMDGGOBGSA-N 244.315 3.653 30 50 BHEA N#C[C@H](Cc1ccccc1)c1ccccc1 1044362 DRONDEZXOJEUGU-HNNXBMFYSA-N 207.276 3.536 30 50 BHEA C=CCC[C@H](O)C(C)(C)CC#C[Si](C)(C)C 169828658 VUQMSLNZKHUGHZ-ZDUSSCGKSA-N 238.447 3.611 30 50 BHEA CC(C)(C#N)Cc1cccc(CC(C)(C)C#N)c1 34100089 UVMUSKQGUXKWCB-UHFFFAOYSA-N 240.350 3.871 30 50 BHEA N#Cc1sccc1-c1ccc(F)c(F)c1 725246347 VWEARKDXQNZBNS-UHFFFAOYSA-N 221.231 3.565 30 50 BHEA CCC/C=C/C/C=C\C=C\C=N\N=N\O 14769338 NKTGCVUIESDXPU-MDCJQJRZSA-N 207.277 3.672 30 50 BHEA in-vitro Fc1cc(F)c(C(F)F)c(OC(F)(F)F)c1 263624983 VTVDEDHRQQADIT-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA Cc1cc(SCCC#N)nc2ccccc12 2886432 XSBOBEKJFJVXRY-UHFFFAOYSA-N 228.320 3.549 30 50 BHEA Clc1ccc(/C=N/Nc2ccccc2)cc1 12376649 YUGRBSKLCJEILG-XNTDXEJSSA-N 230.698 3.786 30 50 BHEA Cc1cc2ncn(/N=C\c3ccccc3)c2cc1C 32603912 ILVUQVADSLRIET-ZDLGFXPLSA-N 249.317 3.535 30 50 BHEA CCCCCCCCCCC(=O)OC 2039284 XPQPWPZFBULGKT-UHFFFAOYSA-N 200.322 3.690 30 50 BHEA biogenic,in-vitro CCCCCCCc1ccc(C(C)=O)o1 59114943 GIWAUPSOMAQLLW-UHFFFAOYSA-N 208.301 3.995 30 50 BHEA C/C(=N\N(C)c1ccccc1)c1ccc(C)cc1 4955128 JTPVLWGXPYHXRM-SAPNQHFASA-N 238.334 3.855 30 50 BHEA O=C(C=Cc1ccccc1)C=Cc1ccccc1 12358705 WMKGGPCROCCUDY-UHFFFAOYSA-N 234.298 3.982 30 50 BHEA biogenic C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12C[C@H]1O[C@]13C 105422162 HZRFVTRTTXBHSE-RJHCMKNPSA-N 220.356 3.626 30 50 BHEA C[C@H](C#N)c1ccc(OCc2ccccc2)cc1 34241489 KQGDCSYLYCAHNL-CYBMUJFWSA-N 237.302 3.893 30 50 BHEA C=C[C@H](CCC(=C)C)[C@@H](C(=O)OC)C(C)C 43198916 HQVGIOAYBCXMJM-OLZOCXBDSA-N 224.344 3.590 30 50 BHEA C=CCn1c(C)csc1=Nc1cccc(C)c1 254489029 PUCRNMLFHBVJBI-UHFFFAOYSA-N 244.363 3.585 30 50 BHEA Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1F 65674 VWXOIUWOGRCTTO-VCHYOVAHSA-N 238.265 3.756 30 50 BHEA Cc1cc(C)cc(-c2ccc(C#N)cc2)c1 75873102 XRXGVDHXCUMXEW-UHFFFAOYSA-N 207.276 3.842 30 50 BHEA in-vitro C=C(C)CSc1nc2c(C)cccc2[nH]1 6748339 YEABUUIDNKJEBG-UHFFFAOYSA-N 218.325 3.540 30 50 BHEA Cc1cccc(/N=C/c2ccccc2O)c1C 16951221 CGAZQAQAVMZWCB-MHWRWJLKSA-N 225.291 3.760 30 50 BHEA Cc1ccc(C(=O)/C=C/c2ccccc2)cc1 15777910 SSXZWAYXQSKEMV-FMIVXFBMSA-N 222.287 3.891 30 50 BHEA in-vitro C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 15207338 ZTVSGQPHMUYCRS-IUODEOHRSA-N 230.307 3.510 30 50 BHEA biogenic,in-vitro N#Cc1cccc(-c2cccc(Cl)c2)c1 6863131 AWWDWSVSPJJFMG-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2584313 GVEUEBXMTMZVSD-UHFFFAOYSA-N 246.072 3.641 30 50 BHEA in-vitro C/C(=N\N=C(/C)c1ccccc1)c1ccccc1 4537255 MOKMQSIJAHPSQX-HBKJEHTGSA-N 236.318 3.920 30 50 BHEA Cc1ccc(COc2ccc(CC#N)cc2)cc1 92399 HNTNMUACVLPQQK-UHFFFAOYSA-N 237.302 3.640 30 50 BHEA Clc1ccc(N/N=C/c2ccccc2)cc1 4528852 AKGWIUUTHDMBQU-XNTDXEJSSA-N 230.698 3.786 30 50 BHEA CCCCCCCCOc1ccccn1 1635633 YRRNIRAKWMOLTK-UHFFFAOYSA-N 207.317 3.821 30 50 BHEA in-vitro C/C(=N/C1CCCCC1)c1ccccc1O 13099309 ZCCKPCBSASQBNL-PTNGSMBKSA-N 217.312 3.534 30 50 BHEA in-vitro N#CCC[C@@]12CCCCC1=Nc1ccccc12 4011658 DGDHJLWUOXGJCM-OAHLLOKOSA-N 224.307 3.888 30 50 BHEA CC(C)=NOC(=O)Nc1cc(Cl)ccc1C 4583110 SVISBWQEPYXUDR-UHFFFAOYSA-N 240.690 3.593 30 50 BHEA Cc1ccccc1Oc1ccccc1C#N 20077514 LBHXACVLOXBRKR-UHFFFAOYSA-N 209.248 3.659 30 50 BHEA O=C1/C(=C\c2ccco2)Sc2ccccc21 4953571 RBJUYMGFIGINOV-XYOKQWHBSA-N 228.272 3.609 30 50 BHEA C=CCc1cc(-c2ncc[nH]2)ccc1OC(C)C 67770268 ISKRXQFIRFSHSH-UHFFFAOYSA-N 242.322 3.592 30 50 BHEA C=CCCc1ccccc1Br 2245276 YYTVAFQKTIHSHB-UHFFFAOYSA-N 211.102 3.568 30 50 BHEA Cc1ccc(N/C=C/C(=O)c2cccs2)cc1 2857687 FVTLKKXKLCRCRQ-CMDGGOBGSA-N 243.331 3.865 30 50 BHEA Fc1ccc(/N=C/c2cccs2)cc1 100039086 XNLBJIUTCRYNKB-MDWZMJQESA-N 205.257 3.638 30 50 BHEA CCc1ccc(/C=N/Nc2ccccc2)cc1 5470872 SUJLXRDULVYZFQ-FOWTUZBSSA-N 224.307 3.695 30 50 BHEA C[C@]12CC=CC[C@@H]1[C@H]1CCC(=O)C=C1CC2 100811896 GZZGLTRHSOLVJB-RRFJBIMHSA-N 216.324 3.658 30 50 BHEA Cc1ccc(C)c(N/C=C2/CCCCC2=O)c1 2832316 IFCGLBQTAFDFRR-RAXLEYEMSA-N 229.323 3.742 30 50 BHEA COc1cccc(/C(C)=N/Nc2ccccc2)c1 4955539 XYUFTDQYJYIODJ-FOWTUZBSSA-N 240.306 3.531 30 50 BHEA O=C(/C=C\C=C(Cl)Cl)c1ccccc1 4532476 SLTBUNVXRDNVFA-DAXSKMNVSA-N 227.090 3.745 30 50 BHEA CCCCCC/C=C(\C)COC(=O)CC 3074832 WERYNZAGVCKEMT-ZRDIBKRKSA-N 212.333 3.856 30 50 BHEA CC1(C)C[C@H]2C[C@H]1[C@H]1C=C([Si](C)(C)C)C(=O)[C@H]21 169837976 YLKLNPGBMYCDBS-HNCHTBHHSA-N 248.442 3.671 30 50 BHEA C[Si](C)(C)C#Cc1ccc(Cl)cc1 169744482 HVIHXUCWKNRJTC-UHFFFAOYSA-N 208.764 3.569 30 50 BHEA N#Cc1ccc(C(F)(F)F)cc1C(F)(F)F 4240938 RQKXUWGXSNMDDS-UHFFFAOYSA-N 239.118 3.596 30 50 BHEA CCCCCCCCOC(=O)c1ccco1 1849647 WVTHGLPXSATJHZ-UHFFFAOYSA-N 224.300 3.797 30 50 BHEA endogenous,in-man C[C@H]1C(C)(C)C2=C(C(=O)CCC2)C1(C)C 2559069 MIZGSAALSYARKU-VIFPVBQESA-N 206.329 3.738 30 50 BHEA biogenic,in-vitro CCCC/N=C(/S)Nc1ccc(Cl)cc1 8830316 GEALCLYFTLJGTC-UHFFFAOYSA-N 242.775 3.838 30 50 BHEA C[C@@H](SC[C@@H]1CCCO1)c1ccc(C#N)cc1 118443943 FPHCGSZILICBQX-RISCZKNCSA-N 247.363 3.531 30 50 BHEA Cc1ccccc1/C=N/c1ccccc1C#N 65972 DFTBMLSPTWHKBT-GZTJUZNOSA-N 220.275 3.617 30 50 BHEA C=CCSc1ccc(Br)cc1 1651917 YJSJZKBPRLJLPC-UHFFFAOYSA-N 229.142 3.727 30 50 BHEA Cc1ccc([C@H](C#N)c2ccccc2)cc1 2045847 UQHKVXGCTXUYFU-OAHLLOKOSA-N 207.276 3.651 30 50 BHEA CCCCCCOc1cccc(C#N)c1 11863723 CWQGIVIYIKJZKP-UHFFFAOYSA-N 203.285 3.517 30 50 BHEA in-vitro N#CC1(c2cc(Cl)cc(Cl)c2)CCC1 238541490 VZFJKMUMVITBJD-UHFFFAOYSA-N 226.106 3.939 30 50 BHEA COc1cccc(C[C@H](C#N)c2ccccc2)c1 41278676 ILYACBSUYYVMCA-OAHLLOKOSA-N 237.302 3.545 30 50 BHEA C=C(C)c1cccc(-c2c(C)noc2C)c1 1875354342 DZKYNDMYPIOFJH-UHFFFAOYSA-N 213.280 3.992 30 50 BHEA CCOc1ccc(/N=C/c2ccc(O)cc2)cc1 493582 MEYXUKYINZWWBO-LFIBNONCSA-N 241.290 3.542 30 50 BHEA CN(C)c1ccc(/C=N/c2ccc(F)cc2)cc1 101116424 MNIPSMJQQOYALZ-GZTJUZNOSA-N 242.297 3.642 30 50 BHEA C=C(C)[C@H]1CCC(C)=C1CC/C(C)=N\O 321788 VFPXOSMLLKRTKH-POKNLVKOSA-N 207.317 3.919 30 50 BHEA CSC(=CC(=O)c1ccc(C)cc1)SC 38977117 JLYUNJQMQAOOEE-UHFFFAOYSA-N 238.377 3.745 30 50 BHEA N#Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2877386 XYPWEHPJIRUDAB-UHFFFAOYSA-N 237.180 3.837 30 50 BHEA O=C(/C=C/c1ccc(Cl)cc1)c1ccco1 4077506 JEWKNWKYSQMIEM-VMPITWQZSA-N 232.666 3.829 30 50 BHEA N#Cc1ccc(C(F)F)cc1C(F)(F)F 263624092 NHHLDUDHURVDPE-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA N#Cc1ccc(Cc2ccccc2)cc1Cl 498036616 QJYYTBLAMFPDRS-UHFFFAOYSA-N 227.694 3.802 30 50 BHEA Fc1ccc(C(F)(F)F)cc1C(F)(F)F 2540142 KIVISFSUGQQCCS-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA in-vitro CC(C)(C)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 307484244 BCWPROZYBMQDDK-NXEZZACHSA-N 224.153 3.515 30 50 BHEA Clc1ccccc1N/N=C/c1cccs1 5717343 KBNIZAWQQIQBJV-MDWZMJQESA-N 236.727 3.848 30 50 BHEA C#Cc1ccc(-c2ccc(CC)cc2)cc1 66352108 LMCBMOAZJXJAIV-UHFFFAOYSA-N 206.288 3.897 30 50 BHEA in-vitro CCc1ccc(/N=C/c2ccccc2)cc1 1501922 GYHJPSGELDVDCC-FOWTUZBSSA-N 209.292 4.000 30 50 BHEA C(=N/C1CCCCC1)\c1c[nH]c2ccccc12 14808501 IXWDHVDQGBWHON-MHWRWJLKSA-N 226.323 3.920 30 50 BHEA O=C1/C(=C2/CCc3ccccc32)Cc2ccccc21 17147992 GDGCNJMFHOCJEH-MSUUIHNZSA-N 246.309 3.825 30 50 BHEA CCCCCCCOc1ccc([N+](=O)[O-])cc1 2164929 AVDKYVSWJDZALX-UHFFFAOYSA-N 237.299 3.944 30 50 BHEA in-vitro C[Si](C)(C)C#CCCC#C[Si](C)(C)C 169838353 TYJHVWSOACVGSH-UHFFFAOYSA-N 222.480 3.528 30 50 BHEA C=CCn1c2ccccc2c2ccccc21 2023137 GHBQLFWTMLRYKN-UHFFFAOYSA-N 207.276 3.981 30 50 BHEA in-vitro C[Si](C)(C)C#Cc1ccc(C(F)(F)F)cc1 169876950 FHGNUAFFHLVAJP-UHFFFAOYSA-N 242.316 3.934 30 50 BHEA C[C@]12CCCCC1=C1CCC(=O)C=C1CC2 197117396 RIYMBQBNVBVOLY-OAHLLOKOSA-N 216.324 3.946 30 50 BHEA CCCCCCCc1ccc(C(=O)O)cc1 2166918 VSUKEWPHURLYTK-UHFFFAOYSA-N 220.312 3.898 30 50 BHEA in-vitro C=C(C)CC[C@H](C)N[C@H](C)CCCC(C)(C)O 19609056 GAKNXTASSVLWLO-KGLIPLIRSA-N 241.419 3.651 30 50 BHEA CC(C)(C#N)Nc1ccc2ccccc2c1 71774312 NAFXOPDGJFITGY-UHFFFAOYSA-N 210.280 3.554 30 50 BHEA N#Cc1ccc2c(ccn2Cc2ccccc2)c1 20523011 XZCSETGZSGBGCI-UHFFFAOYSA-N 232.286 3.561 30 50 BHEA in-vitro C=CCSc1nc2ccccc2s1 2695497 BBSXEAQRDHEFLL-UHFFFAOYSA-N 207.323 3.574 30 50 BHEA CC(C)(C)c1ccccc1OCCCS 22780374 NCKCXLFJXXSLDT-UHFFFAOYSA-N 224.369 3.683 30 50 BHEA CC1(C)C[C@@]2(C)CC=C[C@]23[C@H](C#N)CC[C@H]13 71786443 BJWZSFFTVSHBDL-CTHBEMJXSA-N 215.340 3.919 30 50 BHEA N#CCN(/N=N/c1ccccc1)c1ccccc1 13120030 DGASXQYWYKMVJG-WUKNDPDISA-N 236.278 3.715 30 50 BHEA CSc1ccc(/C=C/C(=O)c2ccco2)cc1 4725593 SCYQNFXYHAEOPR-RMKNXTFCSA-N 244.315 3.898 30 50 BHEA CC1(C)OB(C=C2CCC3(CC2)CC3)OC1(C)C 575598092 HSFMKZBMPJWDTD-UHFFFAOYSA-N 248.175 3.898 30 50 BHEA N#CC[C@@H](c1ccccc1)[C@@H](C#N)c1ccccc1 394141 VMGJZNFGBHNTEV-IRXDYDNUSA-N 246.313 3.991 30 50 BHEA CC(C)Cc1c(C(C)C)sc(N)c1C#N 12404870 HNMXLKIOUBACHJ-UHFFFAOYSA-N 222.357 3.524 30 50 BHEA CCCCCC(=O)OCC[C@@H](S)CCC 14589062 KVXKOWZLYWBURN-NSHDSACASA-N 232.389 3.599 30 50 BHEA endogenous,in-man O=C(/C=C/c1ccc(Cl)cc1)c1ccccn1 5280611 CITDASDVSCSOTC-RMKNXTFCSA-N 243.693 3.631 30 50 BHEA Cc1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 254631769 XTPAJQOAWUWVLP-UHFFFAOYSA-N 240.262 3.654 30 50 BHEA C=C[C@H](Oc1ccc(C=O)cc1)c1ccccc1 35138 RDXSLMBOVLZRDC-INIZCTEOSA-N 238.286 3.805 30 50 BHEA CC[S+](c1ccccc1)c1ccccc1 4774796 LFUUKAZOASZIBN-UHFFFAOYSA-N 215.341 3.743 30 50 BHEA Fc1ccc(/C=N/c2ccc(Cl)cn2)cc1 100413627 CJVCITPBPGXBPI-VIZOYTHASA-N 234.661 3.625 30 50 BHEA N#CCC[C@]12CCCCC1=Nc1ccccc12 4011659 DGDHJLWUOXGJCM-HNNXBMFYSA-N 224.307 3.888 30 50 BHEA C=C(C)CN(CC)Cc1ccc(OC)c(C)c1C 23281902 RVMGOXYTNHCUJM-UHFFFAOYSA-N 247.382 3.710 30 50 BHEA CCc1ccc(C#Cc2ccc(OC)cc2)cc1 2570206 YWDALJMLXXWXFP-UHFFFAOYSA-N 236.314 3.657 30 50 BHEA C=CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 180896554 DBMGUOPENLSEHB-ZDUSSCGKSA-N 238.334 3.585 30 50 BHEA C=C[S+](c1ccccc1)c1ccccc1 72267101 PNSIVCZZUSGIGC-UHFFFAOYSA-N 213.325 3.866 30 50 BHEA C=C[C@@H](CCC(=C)C)[C@@H](C(=O)OC)C(C)C 43198918 HQVGIOAYBCXMJM-STQMWFEESA-N 224.344 3.590 30 50 BHEA N#Cc1c(C(F)(F)F)cc(C2CC2)nc1Cl 1393057 PTRGOELLIOIXBJ-UHFFFAOYSA-N 246.619 3.503 30 50 BHEA O=C1/C(=C\c2ccccc2)CCc2ccccc21 1036033 JNRAEZULKWNOQO-QINSGFPZSA-N 234.298 3.899 30 50 BHEA O=C1C=C(Nc2ccc(F)c(Cl)c2)CCC1 16385534 BAWQODJRPRIEJH-UHFFFAOYSA-N 239.677 3.528 30 50 BHEA N#Cc1ccc(/C=C/c2ccc(C#N)cc2)cc1 225705 RNIZPDIBRXCMRD-OWOJBTEDSA-N 230.270 3.600 30 50 BHEA O=C(/C=C/Nc1ccc(F)cc1)c1cccs1 2850860 GCSQEVYBDLMYMW-BQYQJAHWSA-N 247.294 3.696 30 50 BHEA CCCCC/C(=N\O)c1cc(Cl)ccc1O 5417745 YVXVRVORXVRTNW-SDNWHVSQSA-N 241.718 3.804 30 50 BHEA C=CC[C@](C)(C#N)Sc1ccc(C)cc1 199950283 JEDZOXJDXQBZIA-CYBMUJFWSA-N 217.337 3.946 30 50 BHEA C(=N/c1cccc2ccccc12)\c1ccccn1 292010 VBBATYHGUOPKGG-LDADJPATSA-N 232.286 3.985 30 50 BHEA N#CC1(c2cccc(Cl)c2F)CCCC1 116942441 JQUUHXWFKFTJOO-UHFFFAOYSA-N 223.678 3.814 30 50 BHEA Cc1ncoc1/C(O)=N/CCC1=CCCCCC1 329777180 OSYWDXGOAFPCOS-UHFFFAOYSA-N 248.326 3.568 30 50 BHEA Cc1ccc(-c2ccnc(Cl)c2C#N)cc1 12336400 DTCCOIWAFVWTHT-UHFFFAOYSA-N 228.682 3.582 30 50 BHEA SCCCCOc1ccc2ccccc2c1 3876721 NASJKUGJNDCJAP-UHFFFAOYSA-N 232.348 3.929 30 50 BHEA C=CCC[C@@H](O)C(C)(C)CC#C[Si](C)(C)C 169828657 VUQMSLNZKHUGHZ-CYBMUJFWSA-N 238.447 3.611 30 50 BHEA C[C@@H]1c2ccccc2-c2ccc(C#N)cc21 4557347 CSAOEUZVMPVGGA-SNVBAGLBSA-N 205.260 3.690 30 50 BHEA CC(C)=NOC(=O)Nc1ccc(Cl)cc1C 4583092 JQFFDYXZWORUFK-UHFFFAOYSA-N 240.690 3.593 30 50 BHEA Cc1nc2cc(C#N)ccc2n1C1CCCCC1 95496044 BBXHNJQMXJUDEF-UHFFFAOYSA-N 239.322 3.722 30 50 BHEA in-vitro Cc1ccc(/C=C2\Sc3ccccc3C2=O)o1 15009512 QESBISFJVSSESD-JYRVWZFOSA-N 242.299 3.918 30 50 BHEA CCCCCCCOC(=O)c1ccc(O)cc1 1568932 ZTJORNVITHUQJA-UHFFFAOYSA-N 236.311 3.519 30 50 BHEA endogenous,in-man C/C(=N\Nc1ccccc1)c1ccc(C)cc1O 5542508 MCDVSGSOWZYEAM-FOWTUZBSSA-N 240.306 3.537 30 50 BHEA C=CCCN[C@H](C)C(C)(C)c1ccccc1 170591707 DLPZANXUXOVGLV-CYBMUJFWSA-N 217.356 3.518 30 50 BHEA O/N=C1\C[C@@H](c2ccccc2)OC12CCCCC2 4957545 WXYBXIRPQGDLER-YZGLPLCXSA-N 245.322 3.681 30 50 BHEA C[Si](C)(C)N=Cc1ccc(Cl)cc1 1857524473 XLCRIROPKDZGLD-UHFFFAOYSA-N 211.768 3.594 30 50 BHEA Cc1nc(SCC(C)C)c(C#N)c(C)c1C 33657 NFJMYJJOUUHAHL-UHFFFAOYSA-N 234.368 3.627 30 50 BHEA CC1(C)CC(=O)C=C(Nc2ccccc2F)C1 2491095 NSVGOUMJUPQQKS-UHFFFAOYSA-N 233.286 3.511 30 50 BHEA Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1 21985858 SJECEXNMZXMXNE-UHFFFAOYSA-N 226.323 3.597 30 50 BHEA in-vitro N#Cc1c(Cl)nc(Cl)c(Cl)c1Cl 139445 XLORIERFMJHASL-UHFFFAOYSA-N 241.892 3.567 30 50 BHEA C=C[C@@H](O)C#CC#CC/C=C\CCCCCCC 8221109 UGJAEDFOKNAMQD-QXPKXGMISA-N 244.378 3.847 30 50 BHEA biogenic,in-vitro FC(F)(F)C=C(C(F)(F)F)C(F)(F)F 100044343 ZBKIRWGFFLBFDX-UHFFFAOYSA-N 232.045 3.600 30 50 BHEA Fc1cc(F)c(C(F)F)c(C(F)(F)F)c1 263622783 AWOZASIZHSVFFC-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA O=C(/C=C/c1ccco1)c1ccc(Cl)cc1 3897916 BSRFCMNOLFOGST-BQYQJAHWSA-N 232.666 3.829 30 50 BHEA CC1(C)C2=CC(=O)CC(C)(C)[C@]23CC[C@H]1C3 2562435 LGSKOQUJWNADCQ-BONVTDFDSA-N 218.340 3.738 30 50 BHEA C=CCC[C@@H](Nc1cnn(CC)c1)c1ccco1 225605525 BEXNBSPUFDFULC-CYBMUJFWSA-N 245.326 3.615 30 50 BHEA c1ccc(C/N=C2\CCc3ccccc3N2)cc1 245736 YKMCNRXDJMXRJR-UHFFFAOYSA-N 236.318 3.643 30 50 BHEA C#C[C@](C)(O)CCC1=C(C)CCCC1(C)C 1718390 VMTKSTKUXUTCLL-HNNXBMFYSA-N 220.356 3.677 30 50 BHEA Fc1cc(C(F)(F)F)ccc1C(F)(F)F 2529905 KAGRJEBZBWYSJK-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA in-vitro SCCCCOc1cccc2ccccc12 16310853 YYZVVHJHJKIOIX-UHFFFAOYSA-N 232.348 3.929 30 50 BHEA COc1cccc([C@@H](C#N)Cc2ccccc2)c1 41278683 YCGOJDMTPSVVPM-OAHLLOKOSA-N 237.302 3.545 30 50 BHEA Fc1ccccc1OCCCCCCS 5332536 NWFGQBMSYDJGCT-UHFFFAOYSA-N 228.332 3.695 30 50 BHEA N#CC[C@@H](c1ccccc1)[C@H](C#N)c1ccccc1 1717519 VMGJZNFGBHNTEV-DLBZAZTESA-N 246.313 3.991 30 50 BHEA C=C(C)CCCOCc1ccc(OC)cc1 43199224 JRUJWGOAZNEUAR-UHFFFAOYSA-N 220.312 3.568 30 50 BHEA N#Cc1ccccc1-c1cccc2cccnc12 65404195 YNJPFDSEFHQWMY-UHFFFAOYSA-N 230.270 3.773 30 50 BHEA F/C(=C(/Cl)C(F)(F)F)C(F)(F)F 2579125 WZCQDYGWGDYQNC-OWOJBTEDSA-N 216.483 3.531 30 50 BHEA in-vitro Cc1cccc(N/C(S)=N\CCC(C)C)c1 8683621 YJBWNJQTWJVEDN-UHFFFAOYSA-N 236.384 3.739 30 50 BHEA CC(C)(C)c1cc(/C=N/O)cc(C(C)(C)C)c1O 100073678 MHAZQZQNQAMVMT-CXUHLZMHSA-N 249.354 3.795 30 50 BHEA CCOc1ccc(/C=N/Nc2ccccc2)cc1 4402211 VIFKPPALNDYUPC-FOWTUZBSSA-N 240.306 3.531 30 50 BHEA Fc1cc(F)c(C(F)(F)F)c(C(F)F)c1 263625398 ZOPQIKPMBSVCEW-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA C=C(Cl)C(F)(C(F)(F)F)C(F)(F)F 2530827 VJFYSORKRLINOQ-UHFFFAOYSA-N 230.510 3.572 30 50 BHEA C[S+](Cc1ccccc1)Cc1ccccc1 4532608 ZXGSJCDPPHGUJN-UHFFFAOYSA-N 229.368 3.635 30 50 BHEA Fc1cccc(C(F)(F)F)c1C(F)(F)F 66329404 CDXIPPDZGNMJCD-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O 157753 AKXIIOLURNATOC-UHFFFAOYSA-N 231.339 3.859 30 50 BHEA in-vitro O=C(/C=C/c1ccc(F)cc1)c1ccccc1 3898853 NYSCQZARWVHQBE-DHZHZOJOSA-N 226.250 3.722 30 50 BHEA biogenic,in-vitro CC1(C)CC(=O)C=C(NC2CCCCCCC2)C1 13283094 MNYRTJJMZYULRL-UHFFFAOYSA-N 249.398 3.962 30 50 BHEA N#CC1(Nc2cc(F)ccc2F)CCCCC1 71782377 NAHBJSGMRXBAQS-UHFFFAOYSA-N 236.265 3.603 30 50 BHEA C=C1OC(=O)O[C@]1(C)CC(C)(C)c1ccccc1 1304700 SYBPTHRDEOGBEV-OAHLLOKOSA-N 246.306 3.794 30 50 BHEA C=C(C)CSc1nc2ccc(OCC)cc2[nH]1 6187304 DNDWTUUVXMJRJJ-UHFFFAOYSA-N 248.351 3.630 30 50 BHEA C[C@H](SC[C@@H]1CCCO1)c1ccc(C#N)cc1 118443940 FPHCGSZILICBQX-FZMZJTMJSA-N 247.363 3.531 30 50 BHEA N#Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1 114796135 HVWCYBGLWCNWNJ-UHFFFAOYSA-N 248.207 3.639 30 50 BHEA COc1ccccc1OCCCCCCS 3876713 XNTZPTWNSSFJKG-UHFFFAOYSA-N 240.368 3.564 30 50 BHEA C=C(C)CCc1ccccc1Br 2567459 AYBPGVKOKLIVNY-UHFFFAOYSA-N 225.129 3.958 30 50 BHEA Clc1ccc(N/N=C/c2cccs2)cc1 5716292 XOKFJXCJDRHHKI-MDWZMJQESA-N 236.727 3.848 30 50 BHEA Fc1cc(C(F)F)c(F)cc1OC(F)(F)F 263623529 IGFXUKGODSOYTH-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA CC(C)=NOC(=O)Nc1cccc2ccccc12 4774994 RMQOCXBLFNWALP-UHFFFAOYSA-N 242.278 3.784 30 50 BHEA C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@@]2(O)C1=CCCC1 45071994 GPXKYPSSEWHTSX-IMJJTQAJSA-N 232.367 3.840 30 50 BHEA CC(=O)/C=C/[C@@H]1C(C)=CC[C@@H](C)C1(C)C 1532231 JZQOJFLIJNRDHK-UULPFXLMSA-N 206.329 3.760 30 50 BHEA endogenous,in-man CCC[C@@](CCC#N)(C(C)=O)c1ccccc1 44125635 PJHGQNRUQWDSID-OAHLLOKOSA-N 229.323 3.617 30 50 BHEA N#Cc1nc(Cl)c(Cl)c(Cl)c1Cl 139448 KFPBGJYBKSQIAI-UHFFFAOYSA-N 241.892 3.567 30 50 BHEA N#Cc1ccc2oc(-c3ccc(F)cc3)nc2c1 1775954755 GINHUFMXQRAYQW-UHFFFAOYSA-N 238.221 3.506 30 50 BHEA Cc1ccc(O)c(C(=O)/C=C/c2ccccc2)c1 4252607 BPAVQKLQOSHOPN-CSKARUKUSA-N 238.286 3.597 30 50 BHEA biogenic,in-vitro C=CCNc1nc(-c2ccc(F)cc2)cs1 2861636 SRFYFOHTMCHTRN-UHFFFAOYSA-N 234.299 3.547 30 50 BHEA Fc1cc(F)c(C(F)(F)F)cc1C(F)F 263625334 YWLRIGSYKWYEKO-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA Cc1cc(C#N)cc(C)c1Cc1ccccc1 261508397 RYQPYXXCTKJBJH-UHFFFAOYSA-N 221.303 3.766 30 50 BHEA C[C@@H]1CCCC/C1=N/Nc1ccccc1[N+](=O)[O-] 102311913 WRVJMAMUHICWCT-RLZNRLDCSA-N 247.298 3.573 30 50 BHEA CCCCCCCCO[C@H]1CCCCO1 100313721 YGDANXKCMJFKDT-CYBMUJFWSA-N 214.349 3.890 30 50 BHEA CCCCCCCCC[C@H](C)C(=O)O 2528258 PFFITEZSYJIHHR-NSHDSACASA-N 200.322 3.848 30 50 BHEA Cc1cccc(OCCCCCS)c1C 3876702 QSBQXIMCHGYTMH-UHFFFAOYSA-N 224.369 3.782 30 50 BHEA CCCCCCCCn1nc2ccccc2n1 100096721 WESNTVKWORZVQQ-UHFFFAOYSA-N 231.343 3.792 30 50 BHEA in-vitro Cc1ccc(/N=C(/S)c2ccncc2)c(C)c1 310849 QBXXBKMXSBABBH-UHFFFAOYSA-N 242.347 3.707 30 50 BHEA COc1ccc(/C=C/C(=O)c2cccs2)cc1 4582906 VMWUXSVSQGMOLS-RMKNXTFCSA-N 244.315 3.653 30 50 BHEA biogenic,in-vitro C=CCN[C@H](C)c1ccc(-c2ccncc2)cc1 180896573 DBMGUOPENLSEHB-CYBMUJFWSA-N 238.334 3.585 30 50 BHEA Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 186162 AUTYGHSAKXEUSV-UHFFFAOYSA-N 229.323 3.680 30 50 BHEA Cc1cccc(N/C=C2/CCCCC2=O)c1C 17917062 SOIPHZYUCMLSDN-RAXLEYEMSA-N 229.323 3.742 30 50 BHEA CC(C)Cc1c2c([nH]c(=S)c1C#N)CCCC2 3001467 MTTRFZQQCCNCFR-UHFFFAOYSA-N 246.379 3.693 30 50 BHEA Oc1ccccc1/C=N/c1ccc(Cl)cc1 13406334 OZLVEHYXNFJUFS-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA CCO[C@@H](CCC#N)c1ccc(Cl)cc1 1690199 VTJNWSPCFNYZEV-LBPRGKRZSA-N 223.703 3.721 30 50 BHEA in-vitro CC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1869795 HSKXQSBYMAGOIH-NSCUHMNNSA-N 215.079 3.596 30 50 BHEA in-vitro Cc1cccc(N/C(S)=N\C2CCCC2)c1 8690068 OHXAVSRVSPGJAO-UHFFFAOYSA-N 234.368 3.635 30 50 BHEA C=CCCc1ccc(Br)cc1 2245282 QDNBBDYPPSSRTB-UHFFFAOYSA-N 211.102 3.568 30 50 BHEA in-vitro CCCCCCCCCCOC[C@H]1CO1 2569670 NPKKFQUHBHQTSH-ZDUSSCGKSA-N 214.349 3.543 30 50 BHEA O=C(/C=C\c1ccc(Cl)cc1)c1ccccn1 4566600 CITDASDVSCSOTC-TWGQIWQCSA-N 243.693 3.631 30 50 BHEA CSc1cccc(/N=C/c2ccccc2O)c1 95851156 YAGFWFKGIJYKRQ-XNTDXEJSSA-N 243.331 3.865 30 50 BHEA N#Cc1ccc(-c2ccccc2C(F)(F)F)o1 4542175 UIYISZKSAANMJY-UHFFFAOYSA-N 237.180 3.837 30 50 BHEA CC(C)=CC(=O)/C=C/c1ccc(C)cc1 39259895 UKXBXZZLVDWYEN-CMDGGOBGSA-N 200.281 3.544 30 50 BHEA C=CCC[C@H](Nc1cnn(CC)c1)c1ccco1 225605507 BEXNBSPUFDFULC-ZDUSSCGKSA-N 245.326 3.615 30 50 BHEA C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]21 34564537 PLQMEXSCSAIXGB-SAXRGWBVSA-N 234.339 3.646 30 50 BHEA biogenic,in-vitro CCCCCCCCOC(=O)[C@@H](C)CC 86022659 BCOJVEMHTBSAOE-LBPRGKRZSA-N 214.349 3.936 30 50 BHEA endogenous,in-man N#Cc1ccc(-c2ccc(Cl)cc2)cc1 1260202 DVLCPRBAOHXYIQ-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro C=CCC1(NCc2ccccc2)CCCC1 4833157 FFFXYFIEOHJPOR-UHFFFAOYSA-N 215.340 3.665 30 50 BHEA CCCCCC(=O)OCC[C@H](S)CCC 14589063 KVXKOWZLYWBURN-LLVKDONJSA-N 232.389 3.599 30 50 BHEA endogenous,in-man CCCc1cc(Cl)c2cc(C#N)ccc2n1 32099252 JGKHGULLFTVYKX-UHFFFAOYSA-N 230.698 3.712 30 50 BHEA in-vitro C=C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 95682082 GBZVNPLYXNEEFL-VKHMYHEASA-N 246.072 3.641 30 50 BHEA in-vitro C=C(C)COCCC1=CC[C@H]2C[C@H]1C2(C)C 101020924 UVKZYQHNQHKXFO-UONOGXRCSA-N 220.356 3.962 30 50 BHEA O=C(/C=C(\S)c1cccs1)c1ccccc1 100301509 UBPITSUDAXRIFD-XFXZXTDPSA-N 246.356 3.902 30 50 BHEA N#C[C@@H](c1ccc(N)cc1)c1ccc(Cl)cc1 5161946 LAHMKDKBYBEURU-CQSZACIVSA-N 242.709 3.578 30 50 BHEA CCc1ccc(OCc2ccccc2C#N)cc1 11834106 YYKKYOHCUJHNCN-UHFFFAOYSA-N 237.302 3.700 30 50 BHEA CCOc1ccc(/C=N/c2ccc(F)cc2)cc1 121587 SFVJMQHBQRAPAL-GZTJUZNOSA-N 243.281 3.975 30 50 BHEA N#CC[C@H](Cc1ccccc1)c1ccco1 506185 RTNXWLTVKIKACG-CYBMUJFWSA-N 211.264 3.520 30 50 BHEA O/N=C(\c1ccccc1)c1cc2ccccc2o1 100103959 HKJPUKFSRLNVKF-FOCLMDBBSA-N 237.258 3.659 30 50 BHEA C=CCC[C@H](C)Nc1ccc(OC)c(F)c1 126889655 XUHGCKHRWQMKHN-JTQLQIEISA-N 223.291 3.601 30 50 BHEA Cc1ccc(C(=O)/C=C/Nc2cccc(F)c2)o1 467495 AUDDGEYZWDQMAQ-BQYQJAHWSA-N 245.253 3.536 30 50 BHEA CCCC/C(=N/O)c1c(C)[nH]c2ccccc12 18033460 IZAYOHPZFKUEJI-SSZFMOIBSA-N 230.311 3.845 30 50 BHEA C=CC[C@@]1(O)CCCCCCCCCCC1=O 43198578 ZMOJHNJAOKIKKN-OAHLLOKOSA-N 238.371 3.777 30 50 BHEA O=C(/C=C/c1ccccc1)/C=C/c1ccccc1 1504183 WMKGGPCROCCUDY-PHEQNACWSA-N 234.298 3.982 30 50 BHEA biogenic,in-vitro Cc1cccc(NC(=O)ON=C2CCCCC2)c1 4583038 JOWWNLJWQSDIOA-UHFFFAOYSA-N 246.310 3.864 30 50 BHEA Cc1cc(Cl)cc2cc(C#N)c(Cl)nc12 11985223 PACCOJOKRQWVLY-UHFFFAOYSA-N 237.089 3.722 30 50 BHEA C(=N\C1CCCCC1)\c1c[nH]c2ccccc12 95548734 IXWDHVDQGBWHON-YBEGLDIGSA-N 226.323 3.920 30 50 BHEA N#CC1(c2nc3ccccc3s2)CCCC1 226097149 GZSGVFMZYARUKL-UHFFFAOYSA-N 228.320 3.632 30 50 BHEA N#Cc1ccc2c(c1)Nc1ccccc1S2 1688610 XZSIGWOVDPSPMG-UHFFFAOYSA-N 224.288 3.766 30 50 BHEA in-vitro C=C(CC(C)(C)C)CC(C)(C)C(=O)OCC 4566192 FGPKUGATYSRRQR-UHFFFAOYSA-N 226.360 3.958 30 50 BHEA O=C(/C=C\c1ccccc1)/C=C/c1ccccc1 5014573 WMKGGPCROCCUDY-HEEUSZRZSA-N 234.298 3.982 30 50 BHEA Clc1ccc(/N=C/c2ccco2)cc1 575933 CBMIDHRPAHWIMC-MDWZMJQESA-N 205.644 3.684 30 50 BHEA N#Cc1cccc2c1ccn2Cc1ccccc1 20523018 YGQZDFZJZXNPOO-UHFFFAOYSA-N 232.286 3.561 30 50 BHEA in-vitro C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12C[C@@H]1O[C@]13C 145760633 HZRFVTRTTXBHSE-PWDJSDCWSA-N 220.356 3.626 30 50 BHEA CC1(C)C[C@@H]([C@H](CC#N)c2ccccc2)CCO1 288902 CXUZVNXBMDSHBB-LSDHHAIUSA-N 243.350 3.889 30 50 BHEA CCc1ccccc1N/C=C1/CCCCC1=O 2828524 USPRRKMJTIIBPN-QBFSEMIESA-N 229.323 3.688 30 50 BHEA CCCCC#C[C@@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C 226151845 FSEFWQYUPPBPPV-VNQPRFMTSA-N 234.383 3.757 30 50 BHEA C[C@H]1CC(=O)C2=C1CC(C)(C)C[C@@H]1C[C@@]21C 86068392 MNXOCGDNDRLBMZ-FEUHOPSXSA-N 218.340 3.738 30 50 BHEA Cc1ccccc1/C=N/N=C/c1ccccc1C 1721795 NCVDVHCGHMDCSY-JYFOCSDGSA-N 236.318 3.756 30 50 BHEA C=C(C)Cn1c(CCCC)nc2ccccc21 15821308 YNRVMEUJDSSUEN-UHFFFAOYSA-N 228.339 3.955 30 50 BHEA Cc1ccc(C(=O)/C=C/Nc2ccccc2)cc1 449051 YZEYIBPDPOTVSC-VAWYXSNFSA-N 237.302 3.804 30 50 BHEA O=C(/C=C/Nc1ccccc1F)c1ccccc1 449448 HDYIWOGWVGEDPF-ZHACJKMWSA-N 241.265 3.634 30 50 BHEA Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)o1 4108774 WCFPLTFZUCXEDH-CMDGGOBGSA-N 230.238 3.623 30 50 BHEA C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2083320 NVEQFIOZRFFVFW-RGCMKSIDSA-N 220.356 3.936 30 50 BHEA biogenic,in-vitro N#Cc1ccccc1OCc1cccc(Cl)c1 2876689 YPBBWDMWGBCWMW-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA C=C[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@@H]21 229740039 MNWLUKWOQKIWCI-LJISPDSOSA-N 218.340 3.857 30 50 BHEA biogenic C=CCSc1nc(C)c2cc(C)cc(C)c2n1 2214094 VKCNSTJRMFHNPN-UHFFFAOYSA-N 244.363 3.833 30 50 BHEA C=CCCC[C@@](C)(C(C)=O)c1ccccc1 43198650 KHVVHDJGJACGPB-HNNXBMFYSA-N 216.324 3.890 30 50 BHEA C=CCOc1ccc(Br)cc1Cl 2142479 ZZRMGQOIFBKQIH-UHFFFAOYSA-N 247.519 3.667 30 50 BHEA C=C(C)CC[C@H](C)N[C@@H](C)CCCC(C)(C)O 19609054 GAKNXTASSVLWLO-KBPBESRZSA-N 241.419 3.651 30 50 BHEA O=C1C=C(c2ccccc2)[C@H](c2ccccc2)C1 2795053 JDBDZYFLZFNDLM-KRWDZBQOSA-N 234.298 3.827 30 50 BHEA N#Cc1sccc1-c1ccnc(C(F)F)c1 725273585 MTZFVOZCSNMVIV-UHFFFAOYSA-N 236.246 3.619 30 50 BHEA CC(C)c1ccc([C@H]2CC(=O)C=C(O)C2)cc1 8701312 RXEIWXKGLKGRIR-CYBMUJFWSA-N 230.307 3.698 30 50 BHEA C[C@H]1CC(B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1 306577655 LNPLDQWYKSXELH-GHMZBOCLSA-N 238.180 3.905 30 50 BHEA CCCCCC#CCN(CCC)CCC 1666140 ZAXKUQXMGGOXPF-UHFFFAOYSA-N 209.377 3.692 30 50 BHEA N#Cc1ccccc1-c1cc(F)cc(F)c1 74937843 AQCYAMXHSJNFME-UHFFFAOYSA-N 215.202 3.503 30 50 BHEA in-vitro Cc1ccc(NC2=CC(=O)CCC2)cc1Cl 40488494 XLQRSLVBMZJSKQ-UHFFFAOYSA-N 235.714 3.697 30 50 BHEA C[C@@H]1CC(=O)C2=C1CC(C)(C)C[C@@H]1C[C@@]21C 101140812 MNXOCGDNDRLBMZ-IQMDTDKHSA-N 218.340 3.738 30 50 BHEA N#C[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 247645489 JZJQJLVJVGTBFE-WNKDZCFJSA-N 229.282 3.536 30 50 BHEA CCOc1ccc(/C=C/C(=O)c2ccco2)cc1 4993536 IWQLZGSBLRKLIV-JXMROGBWSA-N 242.274 3.574 30 50 BHEA C=CCCCC[C@@](C)(C=O)c1ccccc1 45074593 JKMURIPLASZGJP-HNNXBMFYSA-N 216.324 3.890 30 50 BHEA COc1ccc(/N=C/c2ccc(C)cc2)cc1 571413 UFPMTVFOMMJDMG-LFIBNONCSA-N 225.291 3.754 30 50 BHEA N#CC1(c2ccccc2Cl)CCCC1 16449455 ZFUMRJIGCNUOFZ-UHFFFAOYSA-N 205.688 3.675 30 50 BHEA N#CC12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13 101003110 JZJQJLVJVGTBFE-JCCCHCCOSA-N 229.282 3.536 30 50 BHEA Cc1cccc(Nc2nc(C)cc(C)c2C#N)c1 6504169 GERGDDMRPQMVID-UHFFFAOYSA-N 237.306 3.622 30 50 BHEA N#Cc1ccccc1-c1ccnc(C(F)F)c1 725273702 WGFRRBVIKSALAK-UHFFFAOYSA-N 230.217 3.558 30 50 BHEA C=CC[C@@H](NCc1ccccc1)c1ccc(C)o1 163943 WFIGJCTWOAHUNI-OAHLLOKOSA-N 241.334 3.995 30 50 BHEA CC1(C)C[C@H]([C@@H](CC#N)c2ccccc2)CCO1 288901 CXUZVNXBMDSHBB-CABCVRRESA-N 243.350 3.889 30 50 BHEA N#CC1(c2cccc(C(F)(F)F)c2)CCC1 34940486 JOXWRFGWGJDQAK-UHFFFAOYSA-N 225.213 3.651 30 50 BHEA in-vitro C=CCOC1=CC(C)(C)[C@H]2C[C@H]1C2(C)C 101081888 VROXKMFFVUBDEZ-ZYHUDNBSSA-N 206.329 3.775 30 50 BHEA C[C@@H](Cc1ccccc1)/N=C/c1ccccc1 32168990 SOYOBNJMIDEWDC-DLRWLJPMSA-N 223.319 3.737 30 50 BHEA C[C@H](Sc1ccccc1)C1=C(O)CCCC1=O 101082249 FJBKTTBHZKXMTL-JTQLQIEISA-N 248.347 3.732 30 50 BHEA CCCCC/C=C/B1OC(C)(C)C(C)(C)O1 169746018 XHEDFAYNMNXKGM-ZHACJKMWSA-N 224.153 3.754 30 50 BHEA in-vitro Cc1ccc(Cl)cc1NC1=CC(=O)CCC1 38237127 RVZSMRGQORLIBN-UHFFFAOYSA-N 235.714 3.697 30 50 BHEA CCC(Cl)=NOC(=O)Nc1cccc(C)c1 252430773 JGPWWGMDKXTHGC-UHFFFAOYSA-N 240.690 3.506 30 50 BHEA CCC(C#N)(c1ccccc1)c1ccccc1 1691316 NQCFFHSZJWFYEU-UHFFFAOYSA-N 221.303 3.906 30 50 BHEA in-vitro C=CCCc1ccccc1NC(=O)c1ccoc1 225713200 DGTCQQVTKJKSCI-UHFFFAOYSA-N 241.290 3.651 30 50 BHEA C=CCCN(CCC=C)Cc1ccccc1 39186446 XLFNQQVWGHEPGW-UHFFFAOYSA-N 215.340 3.641 30 50 BHEA CC1(C)OB([C@@H]2C[C@H]2c2ccccc2)OC1(C)C 203825986 UANSPBMADSQCLG-QWHCGFSZSA-N 244.143 3.636 30 50 BHEA N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 155235 CZKHHAOIHXHOSR-UHFFFAOYSA-N 239.118 3.596 30 50 BHEA C=CC[C@H](NCc1cccs1)c1ccco1 209314 DMTQRMFVEMKOGG-LBPRGKRZSA-N 233.336 3.748 30 50 BHEA in-vitro Cc1ccc(/C=C/C(=O)Cc2ccccc2)cc1 1400751 PVXRCKOBYSFHAX-VAWYXSNFSA-N 236.314 3.820 30 50 BHEA CCCCCCCCCCOC(C)=O 1677799 NUPSHWCALHZGOV-UHFFFAOYSA-N 200.322 3.690 30 50 BHEA endogenous,in-man Cc1cc(/C=N/c2ccccc2)c(O)s1 270934 BJJXNOIJVHRFST-MDWZMJQESA-N 217.293 3.513 30 50 BHEA O=C(/C=C/c1ccccc1Cl)c1cccnc1 4010820 UYDZUMJCHXHXMM-BQYQJAHWSA-N 243.693 3.631 30 50 BHEA C=CCCC(=O)c1ccc(Br)cc1 36468004 ZRCKLFJMCKAXJX-UHFFFAOYSA-N 239.112 3.598 30 50 BHEA COc1ccc(-c2ccc(C#N)c(Cl)c2)cc1 85476866 JWNPDPCVKKZXFO-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro CCCCCCCCCCOCCCCO 95831576 XFAINZYOLTZQEX-UHFFFAOYSA-N 230.392 3.916 30 50 BHEA C=CCNC1(c2ccccc2)CCCCC1 3640303 BLMUJVQXHXLMDT-UHFFFAOYSA-N 215.340 3.622 30 50 BHEA CC(C)(C)C(=O)/C=C/Nc1ccc(F)cc1F 16322680 SYCKDLNNHFSOFG-VOTSOKGWSA-N 239.265 3.506 30 50 BHEA C=C(C)[C@@H]1CC[C@@H](C(=C)C)OC(C)(C(=C)C)O1 393166 VUCBSNDYZQYPPE-KBPBESRZSA-N 236.355 3.995 30 50 BHEA CCCCCCCCCCCC(=O)NC 2510126 APWSJINSLHHRPD-UHFFFAOYSA-N 213.365 3.653 30 50 BHEA in-vitro C(=Nc1ccccc1)c1c[nH]c2ccccc12 254869328 UWQHHVYCAQFAII-UHFFFAOYSA-N 220.275 3.919 30 50 BHEA COc1cc(Cl)ccc1-c1cccc(C#N)c1 74937820 XURVKMUZOQWBPD-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro CC1(C)OB(C2=CCCCCCC2)OC1(C)C 169747383 BIQJRRXWPUZKCQ-UHFFFAOYSA-N 236.164 3.898 30 50 BHEA CC1(C)CN(CCCC#N)c2cccc(Cl)c21 350625036 DGSCZENLLRWBRN-UHFFFAOYSA-N 248.757 3.741 30 50 BHEA Fc1c(C(F)(F)F)cccc1C(F)(F)F 2540314 YSCWHYSFVNCLNL-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA in-vitro CC1(C)CC(=O)C=C(Nc2cccc(F)c2)C1 18136786 PQAATMCMRBDYEJ-UHFFFAOYSA-N 233.286 3.511 30 50 BHEA C=CCCC(=O)C(C)(C)CC#C[Si](C)(C)C 169828652 YLCPUFJHDKAMFA-UHFFFAOYSA-N 236.431 3.819 30 50 BHEA N#Cc1c(Cl)cc(C(F)(F)F)cc1Cl 165139 NCXSSFQXQAOREM-UHFFFAOYSA-N 240.011 3.884 30 50 BHEA N#Cc1cccc(C(F)(F)F)c1C(F)F 263623856 LIAFAHPNUAKGQZ-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA CC1(C)CC(=O)C(/C=N/c2ccccc2)=C(O)C1 12410108 WUDXQKBKKYVSNS-MHWRWJLKSA-N 243.306 3.590 30 50 BHEA C#CCn1c(-c2ccccc2C)nc2ccccc21 4426947 AXKSWIVKUUDIDS-UHFFFAOYSA-N 246.313 3.645 30 50 BHEA Oc1ccc(Cl)cc1/C=N/c1ccccc1 96034877 USHSXCMBQPJHEF-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA in-vitro Fc1cc(C(F)(F)F)cc(C(F)F)c1F 263624255 OTJNUNYYDWUOKR-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA C[C@H](C#N)c1cccc(C(=O)c2ccccc2)c1 2584599 RGYOCHMZSLUCNP-GFCCVEGCSA-N 235.286 3.545 30 50 BHEA in-vitro CC1=C(/C=C/C(C)=N\O)C(C)(C)CCC1 4370261 NXLBMDQTCMKAMF-UWWXTLEHSA-N 207.317 3.919 30 50 BHEA C#Cc1c2ccccc2c(C#C)c2ccccc12 116295595 IIPDKVKBZNLDMD-UHFFFAOYSA-N 226.278 3.956 30 50 BHEA CCCCCCCNC(=O)Nc1ccccc1 100041771 SLJVDMLDTRKNTN-UHFFFAOYSA-N 234.343 3.779 30 50 BHEA N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl 2516895 FKLFBQCQQYDUAM-UHFFFAOYSA-N 237.089 3.860 30 50 BHEA in-vitro N#Cc1ccc2ccn(Cc3ccccc3)c2c1 20523005 UYUKKLGDRIKDEO-UHFFFAOYSA-N 232.286 3.561 30 50 BHEA in-vitro O=C[C@@H](CCc1ccccc1)c1ccccc1 44125643 CJAPHIYIVRWHRB-MRXNPFEDSA-N 224.303 3.602 30 50 BHEA CC1(C)C[C@@H]([C@@H](CC#N)c2ccccc2)CCO1 288900 CXUZVNXBMDSHBB-GJZGRUSLSA-N 243.350 3.889 30 50 BHEA C/C(=C\B1OC(C)(C)C(C)(C)O1)CC1CCC1 306611575 LXZAOOHJJALDMH-ZHACJKMWSA-N 236.164 3.754 30 50 BHEA N#Cc1cccc(-c2ccnc(C(F)F)c2)c1 725273438 CFICXURFLFSSMG-UHFFFAOYSA-N 230.217 3.558 30 50 BHEA CC1(C)OB(/C=C/C2=CCCCC2)OC1(C)C 169904182 KSZSVSZZECWICY-ZHACJKMWSA-N 234.148 3.674 30 50 BHEA N#CCc1ccc(-c2cc(F)ccc2F)cc1 675070010 OJMVNBTWUWDDTL-UHFFFAOYSA-N 229.229 3.698 30 50 BHEA C=CCN(CC=C)C(=O)Nc1cc(C)cc(C)c1 397179 MJSMWHMKKIFEQT-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA C[C@H](CB1OC(C)(C)C(C)(C)O1)c1ccccc1 169746005 GTZNZJQZUWIDTN-GFCCVEGCSA-N 246.159 3.882 30 50 BHEA N#Cc1cnc2cc(Cl)c(F)cc2c1Cl 12649544 OPIVJCMKKAHGNB-UHFFFAOYSA-N 241.052 3.552 30 50 BHEA COc1ccc(Cl)c(-c2ccc(C#N)cc2)c1 85476982 ZNRWZCUWCOHBBW-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro CCCCCCCC(=O)OCCC(C)C 2038974 XKWSWANXMRXDES-UHFFFAOYSA-N 214.349 3.936 30 50 BHEA endogenous,in-man C#CCn1cnc(-c2ccccc2)c1/C(C)=C/C 65454270 VQBWCUQEGBTNMY-WLRTZDKTSA-N 236.318 3.607 30 50 BHEA C=C1OC(=O)O[C@@]1(C)CC(C)(C)c1ccccc1 1304701 SYBPTHRDEOGBEV-HNNXBMFYSA-N 246.306 3.794 30 50 BHEA COc1ccccc1/N=C/c1ccc(C)cc1 2165239 UWDCNEOZNQGSFJ-LFIBNONCSA-N 225.291 3.754 30 50 BHEA CSc1ccccc1-c1ccccc1C#N 74937842 DGXUSSWQYKMTIW-UHFFFAOYSA-N 225.316 3.947 30 50 BHEA in-vitro N#CC1(c2ccc(Cl)cc2)CCCC1 246416 TXVNBTOIDITCBF-UHFFFAOYSA-N 205.688 3.675 30 50 BHEA CC(C)(C#N)c1ccc(C(F)(F)F)cc1 38392368 YEBSQXKOGNKPMQ-UHFFFAOYSA-N 213.202 3.507 30 50 BHEA in-vitro N#Cc1ccc(Nc2ccnc3ccccc23)cc1 41055578 CJBONXLCGWOZKU-UHFFFAOYSA-N 245.285 3.850 30 50 BHEA CCCCCCCOc1ccc(C#N)cc1 2512537 IVYYVHKDOAVYRW-UHFFFAOYSA-N 217.312 3.907 30 50 BHEA Clc1ccccc1[C@]12CCCCC[C@@H]1O2 44125499 FEDMFSBPKMMCMG-QWHCGFSZSA-N 222.715 3.898 30 50 BHEA CCCCCCCn1c(N)nc2ccccc21 2901940 AGXBTIDBIFWHIS-UHFFFAOYSA-N 231.343 3.589 30 50 BHEA N#Cc1cc(C(F)F)ccc1C(F)(F)F 263623060 DIWMWLHBVHKUBU-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA Cc1ccccc1C(=O)/C=C/c1ccccc1 4792771 PCAISRUDFVOFHM-VAWYXSNFSA-N 222.287 3.891 30 50 BHEA O=C1C(Cl)=C(Cl)c2cc(Cl)ccc21 19865608 CDHKUCXNDJJDIS-UHFFFAOYSA-N 233.481 3.683 30 50 BHEA C=C1CC[C@@]2(C)[C@H](O)[C@H]1[C@@]1(C)CCC[C@]21C 253595826 JKHYQMRSAYOHOA-QRTUWBSPSA-N 220.356 3.530 30 50 BHEA CC1(C)CC(=O)C(/N=N/c2ccccc2)=C(O)C1 1715972 MBLHRGPIONZLQE-FOCLMDBBSA-N 244.294 3.929 30 50 BHEA Cc1ccc(NC(=O)ON=C2CCCCC2)cc1 4583130 ORRRORNCRAEXFO-UHFFFAOYSA-N 246.310 3.864 30 50 BHEA N#C[C@H](c1ccc(N)cc1)c1ccc(Cl)cc1 5161944 LAHMKDKBYBEURU-AWEZNQCLSA-N 242.709 3.578 30 50 BHEA CCCCCCCCCCCC(=O)O 1529498 POULHZVOKOAJMA-UHFFFAOYSA-N 200.322 3.992 30 50 BHEA endogenous,world C=CCN(CC=C)C(=O)Nc1c(C)cccc1C 396769 ACCZGCSXUFHALO-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA CCC(=O)/C=C/[C@@H]1C(C)=CCCC1(C)C 1640047 VPKMGDRERYMTJX-MMQHEFTJSA-N 206.329 3.904 30 50 BHEA endogenous,in-man CCc1ccc(C#Cc2ccc(C)cc2)cc1 2525460 LFNSILZUJYWPJS-UHFFFAOYSA-N 220.315 3.957 30 50 BHEA CCn1c(C(C#N)(CC)CC)nc2ccccc21 16527053 XQVGYAHYURUWPM-UHFFFAOYSA-N 241.338 3.638 30 50 BHEA Cc1ccc(-c2cccc(C#N)c2)cc1F 74937821 AGTSDCJWBCGXRP-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro CC(C)(C)c1ccc([C@H]2CC(=O)C=C(O)C2)cc1 18123095 WGQLBGFSAKUQFP-GFCCVEGCSA-N 244.334 3.873 30 50 BHEA COc1ccc(C)cc1/C(=N/O)C1CCCCC1 5541877 CTBCNDWSGRYCSB-FOCLMDBBSA-N 247.338 3.762 30 50 BHEA CC1(C)CC(=O)C=C(Nc2ccc(F)cc2)C1 16671179 IPWMRCZGHYSQOD-UHFFFAOYSA-N 233.286 3.511 30 50 BHEA O=C(/C=C/c1ccc(Cl)cc1)c1cccnc1 5128253 FSCXVFQUEGRJLW-VMPITWQZSA-N 243.693 3.631 30 50 BHEA CCCC(=O)/C(=C/c1ccccc1)CC 6039128 YOFZPPBYHUNSNX-ACCUITESSA-N 202.297 3.849 30 50 BHEA N#Cc1c2ccccc2cc2ccccc12 1634270 KEQZHLAEKAVZLY-UHFFFAOYSA-N 203.244 3.865 30 50 BHEA CCCCCCCOc1ccc(C(=O)O)cc1 1698904 ZRVIYEJYXIDATJ-UHFFFAOYSA-N 236.311 3.734 30 50 BHEA biogenic,in-vitro Fc1cc(OC(F)(F)F)cc(F)c1C(F)F 263623327 GONDGPPLWHFKMV-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA N#CCCC(=O)c1ccc(-c2ccccc2)cc1 36275868 NKEZJFRHKJVVKY-UHFFFAOYSA-N 235.286 3.840 30 50 BHEA C#CCOc1c(Cl)cc(Cl)cc1Cl 42011985 RVLNRTBFVIOGDO-UHFFFAOYSA-N 235.497 3.659 30 50 BHEA C=CCNCCCOc1ccc(C(C)C)c(C)c1 3461088 IJXIFYOVFRLSEH-UHFFFAOYSA-N 247.382 3.663 30 50 BHEA O=C(/C=C/c1ccc(F)cc1)c1cccs1 4176561 TUACRTLXMOTXHL-VMPITWQZSA-N 232.279 3.783 30 50 BHEA O=C(/C=C\c1ccccc1)c1ccccc1 12349443 DQFBYFPFKXHELB-QXMHVHEDSA-N 208.260 3.583 30 50 BHEA biogenic,in-vitro Cc1cc(C)c(C#N)c(Oc2ccc(F)cc2)n1 129457 ZEMVGGBUGZVYQY-UHFFFAOYSA-N 242.253 3.502 30 50 BHEA O/N=C(\Sc1ccccc1)c1ccccc1 7078263 ASDYTEZDHOZKMN-YPKPFQOOSA-N 229.304 3.615 30 50 BHEA CCCCCCCCNc1ccncc1 100005449 RHDWCSIBVZKRRU-UHFFFAOYSA-N 206.333 3.854 30 50 BHEA O=C(/C=C/c1ccccc1)/C=C/c1ccco1 1398349 RJNMUTDRDATJLP-BNFZFUHLSA-N 224.259 3.575 30 50 BHEA C[Si](C)(C)C#Cc1cc(Cl)cnc1Cl 169794273 DQOWNDLHIUKVTA-UHFFFAOYSA-N 244.197 3.617 30 50 BHEA in-vitro CCCC[C@](C=O)(CC)CN1CCC(C)CC1 15442233 UQBWIPUTEFXFQN-OAHLLOKOSA-N 239.403 3.504 30 50 BHEA CCCC[P+]1(c2ccccc2)CCCC1 71775200 IMCVYXZFDCEYDQ-UHFFFAOYSA-N 221.304 3.923 30 50 BHEA N#C[C@H](c1ccccc1)[C@H](C#N)c1ccccc1 110994 KJPHABUGXMBVHI-HZPDHXFCSA-N 232.286 3.601 30 50 BHEA biogenic CCCCCCCCOC(=O)c1ccc(N)cc1 1605337 XOEUGELJHSUYGP-UHFFFAOYSA-N 249.354 3.786 30 50 BHEA biogenic Cc1cccc(N=Cc2ccc(N(C)C)cc2)c1 254398415 OGQXRISMZHIJLV-UHFFFAOYSA-N 238.334 3.812 30 50 BHEA CCCCC#C[C@]1(O)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 239009546 AUJQPZYPYUCBGA-NYTXWWLZSA-N 234.383 3.613 30 50 BHEA N#Cc1cc(Cl)ccc1OCc1ccccc1 1126983 QLVBAJBSHCGDDJ-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA O=C(/C=C/c1ccccc1)c1cccs1 4276957 DDNPADUKGZMCHV-CMDGGOBGSA-N 214.289 3.644 30 50 BHEA in-vitro C=CCCCC[C@](C)(C=O)c1ccccc1 45074592 JKMURIPLASZGJP-OAHLLOKOSA-N 216.324 3.890 30 50 BHEA CCCCCCCCCCCC[C@@H](O)CO 1696911 DWANEFRJKWXRSG-CQSZACIVSA-N 230.392 3.651 30 50 BHEA biogenic,in-vitro CC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1 2167537 ZVROWCVPUCELLK-GZTJUZNOSA-N 237.302 3.948 30 50 BHEA CN(C)/C=N/c1ccc(Cl)c2ccccc12 1673985 FYWUXPSFCFWSTP-OQLLNIDSSA-N 232.714 3.715 30 50 BHEA COc1cccc(OCCCCCCS)c1 3876733 IDFVFLYHOJCNCQ-UHFFFAOYSA-N 240.368 3.564 30 50 BHEA C=CCCC1(CCC=C)CCC2(C1)OCCO2 45072104 SEMNMBTWGQAVQM-UHFFFAOYSA-N 236.355 3.832 30 50 BHEA C[C@@H]1C(C)(C)C2=C(C(=O)CCC2)C1(C)C 6030513 MIZGSAALSYARKU-SECBINFHSA-N 206.329 3.738 30 50 BHEA biogenic,in-vitro CCCCCCCOc1ccc(N)cc1 2575530 LTGYTOOKQWFTQG-UHFFFAOYSA-N 207.317 3.618 30 50 BHEA in-vitro O=C(/C=C/c1cccs1)c1ccccc1 4276954 VLDDOTFTMZJIEM-CMDGGOBGSA-N 214.289 3.644 30 50 BHEA CC#CCC[C@]1(C)C(=O)C[C@]2(C)CCC[C@@]21C 71785872 WMZNMQRXGPMRNR-XHSDSOJGSA-N 232.367 3.966 30 50 BHEA C=C[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 239347251 MNWLUKWOQKIWCI-CBBWQLFWSA-N 218.340 3.857 30 50 BHEA biogenic C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]12 263598281 HRYLQFBHBWLLLL-KGLIPLIRSA-N 232.323 3.551 30 50 BHEA biogenic CCC/N=C(/S)Nc1cccc(Cl)c1C 13482730 GNQLYHGCUJSUAU-UHFFFAOYSA-N 242.775 3.756 30 50 BHEA C[C@@H](/C(=N/O)c1ccccc1)c1ccccc1 17300307 YTKPYWFDRHHTTK-KXEGMRRWSA-N 225.291 3.669 30 50 BHEA Oc1ccccc1/C=N/c1cc(Cl)ccc1O 17424947 MECAZNFEEJTGNK-OVCLIPMQSA-N 247.681 3.502 30 50 BHEA CC1(C)C[C@@]2(C)CC=C[C@]23[C@@H](C#N)CC[C@H]13 71786442 BJWZSFFTVSHBDL-QHSBEEBCSA-N 215.340 3.919 30 50 BHEA O=C(/C=C\Nc1cccc(F)c1)c1cccs1 100482639 YGVAVKISCMUVEJ-SREVYHEPSA-N 247.294 3.696 30 50 BHEA N#Cc1cccc(C=Cc2nc3ccccc3o2)c1 1857532639 NOQOTTGJSAAKDQ-UHFFFAOYSA-N 246.269 3.870 30 50 BHEA CC(C)CC/N=C(/S)Nc1ccccc1F 8829853 NZYKQHBVFPVKIE-UHFFFAOYSA-N 240.347 3.570 30 50 BHEA O=C(/C=C/c1ccccc1)c1ccc(F)cc1 12375756 VKNQSJQWRINEFS-IZZDOVSWSA-N 226.250 3.722 30 50 BHEA in-vitro CCCCCC/C=C/I 59687303 SJZDDNSUIVLYIN-BQYQJAHWSA-N 238.112 3.906 30 50 BHEA CCCCB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 169746515 IMUJPBOUZJFWJB-FMSGJZPZSA-N 236.164 3.515 30 50 BHEA C[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 34241488 KQGDCSYLYCAHNL-ZDUSSCGKSA-N 237.302 3.893 30 50 BHEA CC(C)/C(=N\O)c1ccc(C(C)C)cc1 136620 PFQPDLZJPIKAAY-BUHFOSPRSA-N 205.301 3.644 30 50 BHEA C=CCSCc1ccc(Br)cc1 220535115 QDIFQOUHVMLSLO-UHFFFAOYSA-N 243.169 3.868 30 50 BHEA CC1(C)OB(C2CCC(F)(F)CC2)OC1(C)C 208397784 PSISDAHBTZUUKR-UHFFFAOYSA-N 246.106 3.658 30 50 BHEA CCCCCCCCCCC[C@@H](O)CC(=O)O 2039069 ATRNZOYKSNPPBF-CYBMUJFWSA-N 244.375 3.743 30 50 BHEA endogenous,in-man Cc1ccc(/N=C/c2ccccc2O)c(C)c1 17427574 VFRXKYARSDMXBQ-MHWRWJLKSA-N 225.291 3.760 30 50 BHEA CCCCCCCOC(=O)CC(C)C 100314182 NPBMPHKEFVCCEY-UHFFFAOYSA-N 200.322 3.546 30 50 BHEA C=CCCCC[C@](C)(CO)c1ccccc1 45074596 LSDFSHNWAYNLRF-OAHLLOKOSA-N 218.340 3.683 30 50 BHEA Cc1ccccc1N/C=C/C(=O)c1ccccc1 4784181 AXGQHNHPIXRPTP-VAWYXSNFSA-N 237.302 3.804 30 50 BHEA C[C@H]1c2ccccc2-c2ccc(C#N)cc21 4557348 CSAOEUZVMPVGGA-JTQLQIEISA-N 205.260 3.690 30 50 BHEA C(=N/CCc1c[nH]c2ccccc12)\c1ccccc1 140464403 VMEZJYDXUAPIOF-LDADJPATSA-N 248.329 3.830 30 50 BHEA C[C@H](SC[C@H]1CCCO1)c1ccc(C#N)cc1 118443946 FPHCGSZILICBQX-SMDDNHRTSA-N 247.363 3.531 30 50 BHEA C=CCOc1cccc(CNC2CCCCC2)c1 2859370 PRSKFQBWZLUQHV-UHFFFAOYSA-N 245.366 3.674 30 50 BHEA C#CCn1c(-c2cccc(C)c2)nc2ccccc21 4426958 WEGUYYIDUIBAJA-UHFFFAOYSA-N 246.313 3.645 30 50 BHEA C#C[C@H](O)CCCCCCCCCCC 101010328 XBMBRECRKQFYAT-AWEZNQCLSA-N 210.361 3.901 30 50 BHEA in-vitro CCCCCCCCCCC[C@H](O)CC(=O)O 2039068 ATRNZOYKSNPPBF-ZDUSSCGKSA-N 244.375 3.743 30 50 BHEA biogenic,in-vitro C=C[C@@H](CCCCCCCC)OC(C)=O 3132431 KQQKISBWTDGYIM-ZDUSSCGKSA-N 212.333 3.855 30 50 BHEA Cc1cc(-c2ccc(C#N)cc2)ccc1F 74937806 MYTGNPVETVZUNG-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro Cc1cc(C(C)(C)C#N)ccc1Br 113289751 AZUKMMFEPRVVEF-UHFFFAOYSA-N 238.128 3.559 30 50 BHEA in-vitro N#CC1(c2ccc(Cl)cc2Cl)CC1 1081503 VDKKBWVLLSVWKI-UHFFFAOYSA-N 212.079 3.549 30 50 BHEA Cc1csc(N=C(O)[C@H]2C[C@@H]2C2CC2)c1C#N 329591425 YXRMVXSCBAWSRZ-ZJUUUORDSA-N 246.335 3.562 30 50 BHEA O=C(/C=C/c1ccccc1Cl)c1ccccn1 4010691 KKKHVUICKJZSCW-CMDGGOBGSA-N 243.693 3.631 30 50 BHEA C=C[C@@H](CCC(=C)C)[C@H](C(=O)OC)C(C)C 43198919 HQVGIOAYBCXMJM-QWHCGFSZSA-N 224.344 3.590 30 50 BHEA C=C(C)COc1ccccc1NC(=O)C(C)(C)C 9822706 XYKQPAONEACVFQ-UHFFFAOYSA-N 247.338 3.626 30 50 BHEA Cn1c2c(c3cc(Cl)ccc31)CCC[C@@H]2C#N 5331184 YJJPUDAYHANWJX-SECBINFHSA-N 244.725 3.775 30 50 BHEA O=C(/C=C\c1ccc(Cl)cc1)c1ccncc1 4566593 ZCYFIXMUCMZFLU-UTCJRWHESA-N 243.693 3.631 30 50 BHEA CCSc1nc(-c2ccccc2)ccc1C#N 292926 VYZBWLJFHAQVCY-UHFFFAOYSA-N 240.331 3.732 30 50 BHEA CCCCCCCCCC[N+](C)(C)[O-] 1849937 ZRKZFNZPJKEWPC-UHFFFAOYSA-N 201.354 3.701 30 50 BHEA biogenic,in-vivo COc1ccc(/N=C(\Cl)C(F)(F)F)cc1 100023992 CIRVADWNFWYATJ-ZSOIEALJSA-N 237.608 3.526 30 50 BHEA in-vitro O=C(/C=C/c1ccsc1)c1ccccc1 4276956 UREUCWDGXKLIIY-VOTSOKGWSA-N 214.289 3.644 30 50 BHEA O=C(Nc1ccccc1)ON=C1CCCCC1 4403601 JDZBXMRBQJKAPB-UHFFFAOYSA-N 232.283 3.555 30 50 BHEA Cc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1C 2594105 QBQTZNRDGCZDNV-UHFFFAOYSA-N 248.285 3.839 30 50 BHEA Cc1ccc(Oc2cccc(C#N)c2C#N)cc1 21984656 XJERBWBJRZDWHE-UHFFFAOYSA-N 234.258 3.531 30 50 BHEA N#Cc1ccc(-c2ccnc(C(F)F)c2)s1 725273695 VUOMDVJXHUFSMD-UHFFFAOYSA-N 236.246 3.619 30 50 BHEA N#CCc1ccccc1Oc1ccccc1 160379 PCMQCXFXODBYGN-UHFFFAOYSA-N 209.248 3.545 30 50 BHEA in-vitro N#Cc1ccccc1-c1cccc(Cl)c1 1259331 PQYNQKBYEZCGOX-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro C=C[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 239347252 MNWLUKWOQKIWCI-ZQDZILKHSA-N 218.340 3.857 30 50 BHEA biogenic CCc1onc(C)c1N=C(O)[C@H]1CC12CCCC2 328813578 FYGJRSGOQFHCGY-SNVBAGLBSA-N 248.326 3.714 30 50 BHEA C=CCCCCCCCCC(=O)OCC 2031414 FXNFFCMITPHEIT-UHFFFAOYSA-N 212.333 3.856 30 50 BHEA endogenous,in-man C=CC[C@@H](O)c1cc(Cl)cc(Cl)c1 8715595 LKHUTOSDFMPDOE-SNVBAGLBSA-N 217.095 3.603 30 50 BHEA Cc1ccsc1/C=N/c1ccc(Cl)cn1 15162897 SCZQIMGVVBLAKV-VGOFMYFVSA-N 236.727 3.856 30 50 BHEA Cc1cccc(/C=C\C(=O)c2ccccc2)c1 4897325 VQLMDARIPJTTAH-KHPPLWFESA-N 222.287 3.891 30 50 BHEA C=CCOC(=O)Nc1ccc(Cl)c(Cl)c1 2171009 JNTMNFBKCXOUGZ-UHFFFAOYSA-N 246.093 3.728 30 50 BHEA CCCCCCCCO[C@@H]1CCCCO1 2585365 YGDANXKCMJFKDT-ZDUSSCGKSA-N 214.349 3.890 30 50 BHEA C=CCc1c(C)[nH]c2c(OC)cccc2c1=S 5687700 ZXVKZWPXEYHGMB-UHFFFAOYSA-N 245.347 3.943 30 50 BHEA N#CC1(c2ccc(F)cc2)CCCCC1 155778 CXHLRVDEACWSNN-UHFFFAOYSA-N 203.260 3.551 30 50 BHEA in-vitro Cc1cc(/N=C/c2ccc3ccccc3c2)no1 6203231 SIPAICHCYQPHQJ-MHWRWJLKSA-N 236.274 3.887 30 50 BHEA Fc1cc(C(F)(F)F)cc(F)c1C(F)F 263623747 KJXAQLRIEJQMQB-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA C=CCCc1cccc(Br)c1 2245279 WVPDQYFDPBNJCY-UHFFFAOYSA-N 211.102 3.568 30 50 BHEA N#Cc1cc2cc(C(F)(F)F)ccc2s1 260889756 PCLBXWNOWSWXJX-UHFFFAOYSA-N 227.210 3.792 30 50 BHEA C[C@@H](Sc1ccccc1)C1=C(O)CCCC1=O 101082251 FJBKTTBHZKXMTL-SNVBAGLBSA-N 248.347 3.732 30 50 BHEA C=C1N(c2cccc(Cl)c2)C(=O)OC1(C)C 617524 PCPWYLAWNWKKEA-UHFFFAOYSA-N 237.686 3.589 30 50 BHEA CCCC(=O)/C(=C\c1ccccc1)CC 4530140 YOFZPPBYHUNSNX-QBFSEMIESA-N 202.297 3.849 30 50 BHEA CC1(C)OB(C=C2CCCCC2)OC1(C)C 196688459 RNSMPCBEIXODBX-UHFFFAOYSA-N 222.137 3.508 30 50 BHEA N#Cc1ccc(-c2ccc(Cl)cc2)nc1Cl 3883213 XFWLUBBMHXSZTG-UHFFFAOYSA-N 249.100 3.927 30 50 BHEA Fc1ccc(C(F)(F)F)c(C(F)(F)F)c1 63361018 ITNYISOJCVKBSZ-UHFFFAOYSA-N 232.098 3.863 30 50 BHEA Cc1ccc(Cn2ccc3cc(C#N)ccc32)cc1 216945817 BBLYCZNNIFYVHB-UHFFFAOYSA-N 246.313 3.870 30 50 BHEA Cc1ccc(N=Cc2ccc(F)cc2)cc1 254619421 NTPHQAYXOKEVIQ-UHFFFAOYSA-N 213.255 3.885 30 50 BHEA Cc1ccccc1/N=C/c1ccc([N+](=O)[O-])s1 4948761 LDLUCYXZTRAAHE-MDWZMJQESA-N 246.291 3.715 30 50 BHEA O/N=C\c1ccccc1Oc1ccc(F)c(F)c1 13397347 JGLVDIVHVFZUDA-PXNMLYILSA-N 249.216 3.565 30 50 BHEA C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@@H]21 257513339 PLQMEXSCSAIXGB-PYJNHQTQSA-N 234.339 3.646 30 50 BHEA C=C1CC[C@@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@]12C 253595825 JKHYQMRSAYOHOA-AIEDFZFUSA-N 220.356 3.530 30 50 BHEA O=C1C=C(Nc2cccc3ccccc23)CCC1 284174 ROEDTQBQKAUASI-UHFFFAOYSA-N 237.302 3.889 30 50 BHEA CCCCCCCC(=O)OCCCC 1608549 PSXNDMJWRZYVTM-UHFFFAOYSA-N 200.322 3.690 30 50 BHEA in-vitro,metabolite C=C[C@H](CCCCCCCC)OC(C)=O 3132430 KQQKISBWTDGYIM-CYBMUJFWSA-N 212.333 3.855 30 50 BHEA N#C[C@@H](c1ccccc1)c1ccc(Cl)cc1 4826153 OZTNTRFNRLHMKC-AWEZNQCLSA-N 227.694 3.995 30 50 BHEA in-vitro N#Cc1ccc(-c2cccc(C(F)(F)F)n2)cc1 67850788 DABIEJIJAJUKCF-UHFFFAOYSA-N 248.207 3.639 30 50 BHEA N#CC[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1 1717517 VMGJZNFGBHNTEV-SJORKVTESA-N 246.313 3.991 30 50 BHEA CC(=O)/C=C(\C)Nc1ccc2ccccc2c1 4728559 UVDQODWGRZEDQC-PKNBQFBNSA-N 225.291 3.745 30 50 BHEA CCCCCCCCC#CC#CCCCC(=O)O 2509479 RPTNONNBJKKVEV-UHFFFAOYSA-N 248.366 3.999 30 50 BHEA CC(C)=NOC(=O)Nc1ccc(C)c(Cl)c1 4583033 PXJDMNNSJXBWPW-UHFFFAOYSA-N 240.690 3.593 30 50 BHEA O=C(/C=C\c1ccccc1)/C=C\c1ccccc1 29786395 WMKGGPCROCCUDY-XSYHWHKQSA-N 234.298 3.982 30 50 BHEA O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)C1 1561818 JDBDZYFLZFNDLM-QGZVFWFLSA-N 234.298 3.827 30 50 BHEA C=C[C@@H](O)C#CC#CC/C=C/CCCCCCC 1531107 UGJAEDFOKNAMQD-SXSDINLZSA-N 244.378 3.847 30 50 BHEA endogenous,in-man C=CCOC(=O)Nc1ccc(Cl)cc1Cl 2171010 FPBOTLFPAPCGPS-UHFFFAOYSA-N 246.093 3.728 30 50 BHEA Cc1ccc(/C=N/c2ccc(Cl)cn2)cc1 100141177 XJTXLCKSFZTYBD-OVCLIPMQSA-N 230.698 3.794 30 50 BHEA CCCCCCCCCCCCNC=O 1685772 TYCXRAVZVQSHSC-UHFFFAOYSA-N 213.365 3.653 30 50 BHEA CCC(=O)/C=C1/Sc2ccc(C)cc2N1CC 100199725 UORBTSCFMFFMTJ-NTEUORMPSA-N 247.363 3.748 30 50 BHEA C#CC[C@@H](CC)NC1CC(c2ccc(C)cc2)C1 167514973 UDLBAEZEOZZERL-AQFXKWCLSA-N 241.378 3.633 30 50 BHEA N#C[C@H]1C(=N)Cc2ccccc2-c2ccccc21 1698844 UGFOMFGCDBVENN-OAHLLOKOSA-N 232.286 3.537 30 50 BHEA Cc1ccc(C(=O)/C=C/c2cccs2)cc1 4176805 OUDDTWPBSXBJOY-CMDGGOBGSA-N 228.316 3.953 30 50 BHEA O=C1CCCC/C1=C\c1ccccc1Cl 1728371 VHOKJFKVMITNLR-PKNBQFBNSA-N 220.699 3.867 30 50 BHEA CC(C)c1ccc([C@@H]2CC(=O)C=C(O)C2)cc1 100152853 RXEIWXKGLKGRIR-ZDUSSCGKSA-N 230.307 3.698 30 50 BHEA Cc1nc(Cl)c(C#N)cc1-c1ccccc1 1388572 IKKNXDBSPNSUOA-UHFFFAOYSA-N 228.682 3.582 30 50 BHEA in-vitro Cc1ccc(N/C(S)=N/C2CCCC2)c(C)c1 306195 YBCMFEJAAHOTDD-UHFFFAOYSA-N 248.395 3.944 30 50 BHEA N#CC[C@H](Oc1ccccc1)c1ccccc1 404992 RXSVDKSZSJVKDQ-HNNXBMFYSA-N 223.275 3.720 30 50 BHEA C=C(C)[C@@H]1CC[C@H](C(=C)C)O[C@@](C)(C(=C)C)O1 248200984 VUCBSNDYZQYPPE-QDMKHBRRSA-N 236.355 3.995 30 50 BHEA CCO[C@H](CCC#N)c1ccc(Cl)cc1 2044166 VTJNWSPCFNYZEV-GFCCVEGCSA-N 223.703 3.721 30 50 BHEA in-vitro N#CC1(c2ccc(Cl)c(Cl)c2)CCC1 34977908 CTKUIZGFDSJHPY-UHFFFAOYSA-N 226.106 3.939 30 50 BHEA C=CCCCC[C@@](C)(CO)c1ccccc1 45074597 LSDFSHNWAYNLRF-HNNXBMFYSA-N 218.340 3.683 30 50 BHEA COc1ccc(/C=C/C(=O)c2ccccc2)cc1 4013299 XUFXKBJMCRJATM-FMIVXFBMSA-N 238.286 3.591 30 50 BHEA biogenic,in-vitro N#Cc1ccc(-c2ccc(S)cc2)cc1 34368074 ZZSHJNKMDIZSFY-UHFFFAOYSA-N 211.289 3.514 30 50 BHEA C=C/C(O)=N/[C@@H](c1cccnc1)C1CCCCC1 328597054 CXYJZUJHDKMBBT-OAHLLOKOSA-N 244.338 3.846 30 50 BHEA CCCCCCCc1cnc(Cl)nc1 2525163 WWZJDDGZLBCAIW-UHFFFAOYSA-N 212.724 3.643 30 50 BHEA C=C/C(O)=N/[C@H](c1cccnc1)C1CCCCC1 328597053 CXYJZUJHDKMBBT-HNNXBMFYSA-N 244.338 3.846 30 50 BHEA O/N=C(\C=C\c1ccccc1)c1ccccc1 100287014 IXQYPXRYRSEMAA-YBAIQQBHSA-N 223.275 3.578 30 50 BHEA Cc1cccc(N/C=C/C(=O)c2ccc(C)o2)c1 467325 XUXWBDAEXHYWOF-CMDGGOBGSA-N 241.290 3.705 30 50 BHEA C[C@@H]1CC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C 101140806 MNXOCGDNDRLBMZ-HFBDOXOYSA-N 218.340 3.738 30 50 BHEA C[Si](C)(C)C#Cc1cccc(C(F)(F)F)c1 170157260 LHWMUAXYSGPPIX-UHFFFAOYSA-N 242.316 3.934 30 50 BHEA CCCCCCCCCCCOCCO 1850542 KLMGMPDXSPSCOC-UHFFFAOYSA-N 216.365 3.526 30 50 BHEA N#Cc1c(F)cccc1-c1ccnc(C(F)F)c1 725273434 BYTCUZFSTXQXFU-UHFFFAOYSA-N 248.207 3.697 30 50 BHEA N#C[C@@H](c1ccccc1)c1ccc(N)cc1Cl 58153 ISOPQUKKXCXJIJ-ZDUSSCGKSA-N 242.709 3.578 30 50 BHEA C=C1N(c2ccc(C)cc2)C(=O)O[C@@]1(C)CC 51253 XIMPKXDDAQSVCA-AWEZNQCLSA-N 231.295 3.634 30 50 BHEA N#Cc1cccc(-c2nccc3ccccc23)c1 65384684 GMDAZNJTQJHFHQ-UHFFFAOYSA-N 230.270 3.773 30 50 BHEA CC1(C)OB(C2CCCCCC2)OC1(C)C 169746645 SXXIRRKFRJTGRV-UHFFFAOYSA-N 224.153 3.803 30 50 BHEA in-vitro Cc1ccc(N=Cc2ccc(N(C)C)cc2)cc1 254307278 FMUYBNRWFQLFLY-UHFFFAOYSA-N 238.334 3.812 30 50 BHEA CC1=C[C@@]2(CCC=O)CC(C)(C)C[C@H]2C1 71786076 ICHTVOJTFHOCOL-OCCSQVGLSA-N 206.329 3.738 30 50 BHEA C[C@H]1CC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C 86068397 MNXOCGDNDRLBMZ-AMJWSMQMSA-N 218.340 3.738 30 50 BHEA CCCCCCCCOC(=O)CC(C)C 1584039 FUBGRVHGQADOJI-UHFFFAOYSA-N 214.349 3.936 30 50 BHEA endogenous,in-man CC(C)(C)C(=O)/C=C(\NC1CCCCC1)C1CC1 5632339 YEFFWPJUWXOALE-KAMYIIQDSA-N 249.398 3.818 30 50 BHEA Cc1c(C#N)cccc1NCc1cccc(F)c1 253425338 FSTCDXSAJXMJEW-UHFFFAOYSA-N 240.281 3.618 30 50 BHEA O=C(/C=C/c1ccc(Cl)cc1Cl)C1CC1 258185 FIIVZQLNVYLNMG-GQCTYLIASA-N 241.117 3.986 30 50 BHEA CC(C)c1ccc(NC2=CC(=O)CCC2)cc1 462378 UITLCMDHFZRSSC-UHFFFAOYSA-N 229.323 3.859 30 50 BHEA CCCC(O)(CC#C[Si](C)(C)C)CCC 169828392 SRNSGVMIPBHKRX-UHFFFAOYSA-N 226.436 3.589 30 50 BHEA C=CCCN[C@@H](C)C(C)(C)c1ccccc1 170591706 DLPZANXUXOVGLV-ZDUSSCGKSA-N 217.356 3.518 30 50 BHEA O=C1C=CC(c2ccccc2)(c2ccccc2)C=C1 1664292 JUOUFRXTZODGAN-UHFFFAOYSA-N 246.309 3.668 30 50 BHEA Fc1ccc(CC(F)(F)F)cc1C(F)(F)F 66329441 YSKYCMMBVCKTEY-UHFFFAOYSA-N 246.125 3.949 30 50 BHEA Cc1ccc(COc2cccc(F)c2C#N)cc1 162085 PYDSAKVFHVQAAD-UHFFFAOYSA-N 241.265 3.585 30 50 BHEA N#Cc1ccc(-c2ccc(F)cc2)cc1F 47204181 AJEUFKVNYRMLPU-UHFFFAOYSA-N 215.202 3.503 30 50 BHEA in-vitro C#CCn1c(-c2ccccc2)cc2ccccc21 128477233 GVBXSMJKFLTLOT-UHFFFAOYSA-N 231.298 3.942 30 50 BHEA CCCCC/C(=N\O)c1cccc(Cl)c1O 5417785 LHLXCEARNJJBKW-SDNWHVSQSA-N 241.718 3.804 30 50 BHEA Cc1ccc(F)c(-c2ccccc2C#N)c1 85472211 ICBUGFRPHASXDJ-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro C=C1N(c2ccc(Cl)cc2)C(=O)OC1(C)C 128054 BYFMZBBWOMBIJC-UHFFFAOYSA-N 237.686 3.589 30 50 BHEA CC1(C)OB(CCC[Si](C)(C)C)OC1(C)C 169747208 SVYVMKANVAUFQP-UHFFFAOYSA-N 242.244 3.807 30 50 BHEA N#CCCC(C#N)(c1ccccc1)c1ccccc1 3086275 UADFSKIMQDEULZ-UHFFFAOYSA-N 246.313 3.800 30 50 BHEA CCCCC#C[C@@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C 239009545 AUJQPZYPYUCBGA-KNCOVGOOSA-N 234.383 3.613 30 50 BHEA CC1=CCC[C@]2(C)O[C@H]2CC(=C(C)C)C(=O)C1 936069684 DWGVRYKQVZGSIB-GJZGRUSLSA-N 234.339 3.570 30 50 BHEA biogenic,in-vitro Fc1cc(C(F)F)cc(C(F)(F)F)c1F 263624424 QIMHGHCDXCQOHA-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA C=CCNC/C=C/COc1ccccc1C(C)C 12383126 TVNVYLPQOWWJSE-BQYQJAHWSA-N 245.366 3.521 30 50 BHEA C=CCOC(=O)Nc1cccc2ccccc12 1732205 OCJKIHKTMHNTRU-UHFFFAOYSA-N 227.263 3.574 30 50 BHEA CCCCCCCCOC(=O)c1cccnc1 1674347 TYBQVEHLLOHMLT-UHFFFAOYSA-N 235.327 3.599 30 50 BHEA in-vitro Clc1ccccc1/C=N/Nc1ccccc1 4546956 OZQVYOMIDPTAFG-XNTDXEJSSA-N 230.698 3.786 30 50 BHEA CC(=O)C/C=N/c1ccc2ccccc2c1 4823562 TYRZVTRYXQDVMQ-OQLLNIDSSA-N 211.264 3.521 30 50 BHEA C[C@]12CC=CC[C@H]1[C@@H]1CCC(=O)C=C1CC2 4831143 GZZGLTRHSOLVJB-QLFBSQMISA-N 216.324 3.658 30 50 BHEA CN(CC#C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 102674392 KYXVRQBHMGRRGY-PMPSAXMXSA-N 245.410 3.691 30 50 BHEA COc1ccc(OCCCCCCS)cc1 4951047 PFFHVFVDYQOFNW-UHFFFAOYSA-N 240.368 3.564 30 50 BHEA FC(F)(F)c1cc(CS)ccc1Cl 36533252 GYYLYTGRXWQYJQ-UHFFFAOYSA-N 226.650 3.789 30 50 BHEA CCCCCCCOc1cccc(C=O)c1 100020699 KROMBKWOHQBNBR-UHFFFAOYSA-N 220.312 3.848 30 50 BHEA in-vitro CCCCCCCCCC[C@H](C(=O)O)N(C)C 100743746 AURJQLFZBQODSR-CYBMUJFWSA-N 243.391 3.532 30 50 BHEA CC/C(=N\O)c1cc(Cl)ccc1Cl 4783906 AUNLCDXZWHNEPS-FMIVXFBMSA-N 218.083 3.582 30 50 BHEA C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 15207341 ZTVSGQPHMUYCRS-SWLSCSKDSA-N 230.307 3.510 30 50 BHEA biogenic,in-vitro N#Cc1ccccc1-c1cccc(-c2cc[nH]n2)c1 20351137 JRULMTXMFCYJDC-UHFFFAOYSA-N 245.285 3.615 30 50 BHEA Cl/C(=N\Nc1ccccc1)c1ccccc1 3957486 IUSCIWAUZVKPPY-SSZFMOIBSA-N 230.698 3.699 30 50 BHEA CC[C@H](C)B1O[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@@]2(C)O1 396029484 WHMUSDTWJRKCSL-YCGPCKTQSA-N 236.164 3.515 30 50 BHEA COc1ccc(/N=C/c2ccc(F)cc2)cc1 581318 RAXZKIAJTMJMLN-MHWRWJLKSA-N 229.254 3.585 30 50 BHEA C/C(=N/c1ccccc1)Nc1ccccc1 13776727 CLWIJUQLAFJNOF-UHFFFAOYSA-N 210.280 3.849 30 50 BHEA C[C@H]1CCCC/C1=N/Nc1ccccc1[N+](=O)[O-] 102311916 WRVJMAMUHICWCT-SFEFGNTJSA-N 247.298 3.573 30 50 BHEA O=C(/C=C/c1ccccc1)c1ccccc1 38139289 DQFBYFPFKXHELB-VAWYXSNFSA-N 208.260 3.583 30 50 BHEA in-man,metabolite Cc1ccc(-c2ccc(C#N)c(F)c2)cc1 85477431 COCNSAYZRFHUDV-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro N#CCc1csc2ccc(Cl)cc12 162018 JTPXNKOVUOJIKL-UHFFFAOYSA-N 207.685 3.621 30 50 BHEA O=C1C=CC(c2ccccc2)(c2ccccc2)CC1 1081140 LUFGFXHHSGISSL-UHFFFAOYSA-N 248.325 3.892 30 50 BHEA N#C[C@@H](CC(=O)c1ccccc1)c1ccccc1 35026 JRWUFQJVJGKCCT-OAHLLOKOSA-N 235.286 3.567 30 50 BHEA C=CCNCCCOc1ccc([C@H](C)CC)cc1 3000573 WMMWAMZERPFQIB-CQSZACIVSA-N 247.382 3.745 30 50 BHEA CCCCCCCCCCCC(=O)CCN 3130437 AAQQHNOZXBDRIN-UHFFFAOYSA-N 227.392 3.825 30 50 BHEA CC1(C)C[C@](CC#N)(Cc2ccccc2)CCO1 245482 WYWKEYZLXBPMSU-INIZCTEOSA-N 243.350 3.718 30 50 BHEA c1ccc([S+](c2ccccc2)C2CC2)cc1 4254134 VLBAODADJZKAEV-UHFFFAOYSA-N 227.352 3.885 30 50 BHEA in-vitro Cc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1 169794515 HHBWKASJNTZJLB-ZHACJKMWSA-N 244.143 3.640 30 50 BHEA in-vitro N#Cc1cc2cccc(C(F)(F)F)c2s1 260324996 NJYHNQZXWSUJIB-UHFFFAOYSA-N 227.210 3.792 30 50 BHEA C[Si](C)(C)/N=C/c1ccc(Cl)cc1 170157367 XLCRIROPKDZGLD-XYOKQWHBSA-N 211.768 3.594 30 50 BHEA N#CCSc1cc(Cl)ccc1Cl 19847574 NVNHGQPPWCQIQL-UHFFFAOYSA-N 218.108 3.609 30 50 BHEA CC1(C)OB(CCCc2ccccc2)OC1(C)C 169746007 HRZOKAQQKKQUME-UHFFFAOYSA-N 246.159 3.711 30 50 BHEA in-vitro CCCCCCCCCCCC[C@@H](O)C(=O)O 2036092 JYZJYKOZGGEXSX-CYBMUJFWSA-N 244.375 3.743 30 50 BHEA endogenous,in-man Cc1ccc(/C=C\C(=O)/C=C/c2ccc(C)o2)o1 31769627 PISDKWAWFIZQNA-VTBWALSUSA-N 242.274 3.785 30 50 BHEA Cc1ccc(Oc2ccc(C#N)cc2)c(C)c1 168020 MZLPDCXQIXHLSL-UHFFFAOYSA-N 223.275 3.967 30 50 BHEA in-vitro O/N=C1\C[C@H](c2ccccc2)OC12CCCCC2 4957546 WXYBXIRPQGDLER-ZPTIMJQQSA-N 245.322 3.681 30 50 BHEA C[N+](C)(C)c1ccc(/N=C/c2ccccc2)cc1 3091619 AOIIREPACFBZDN-GHRIWEEISA-N 239.342 3.634 30 50 BHEA N#CCc1c(Cl)ccc(Cl)c1Cl 157022 ZUZLGSONCFESPE-UHFFFAOYSA-N 220.486 3.713 30 50 BHEA N#Cc1c[nH]c2ccc(OCc3ccccc3)cc12 84858901 SRDVYVLUUTYYSA-UHFFFAOYSA-N 248.285 3.619 30 50 BHEA N#Cc1c(Cl)cc(Cl)cc1Cl 167063 PGODHCIOIPODFE-UHFFFAOYSA-N 206.459 3.518 30 50 BHEA in-vitro C[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1 306577654 LNPLDQWYKSXELH-GDNZZTSVSA-N 238.180 3.905 30 50 BHEA SCCCCCCOc1ccccc1 13609352 QUBILGABLBGKPV-UHFFFAOYSA-N 210.342 3.556 30 50 BHEA in-vivo O=C(C=Cc1ccccc1)/C=C\c1ccccc1 1857524274 WMKGGPCROCCUDY-CSXFVWEESA-N 234.298 3.982 30 50 BHEA Cc1ccc(C)c(/N=C/C(=O)c2ccccc2)c1 230446962 WIFPLULEUNBSTE-GZTJUZNOSA-N 237.302 3.889 30 50 BHEA N#CC[C@@H](Cc1ccccc1)c1ccco1 506186 RTNXWLTVKIKACG-ZDUSSCGKSA-N 211.264 3.520 30 50 BHEA Fc1ccc(/C=N/c2ccc(F)cc2)cc1 2147222 FRNJXANITCYEMD-CXUHLZMHSA-N 217.218 3.715 30 50 BHEA in-vitro SCc1cc(-c2cc3ccccc3o2)on1 725252732 OOKUXWBUAVDFRJ-UHFFFAOYSA-N 231.276 3.518 30 50 BHEA Cc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1 4582965 PZHYCUFBBDDVKW-XNTDXEJSSA-N 240.262 3.654 30 50 BHEA Cc1cc(-c2ccccc2)c(C#N)c(=S)[nH]1 245792 SOTKVCNAYQJPMJ-UHFFFAOYSA-N 226.304 3.591 30 50 BHEA CC(C)=CCCC#CCCO[C@H]1CCCCO1 3106350 JHDAPVQEKHAILG-OAHLLOKOSA-N 236.355 3.670 30 50 BHEA C=CCOc1ccccc1CN1CCCC[C@H]1C 4988083 SSCVMDGWZQUQIC-CQSZACIVSA-N 245.366 3.626 30 50 BHEA N#CCSc1c(Cl)cccc1Cl 39978316 NPNSWBLNZITCRB-UHFFFAOYSA-N 218.108 3.609 30 50 BHEA C[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)F 169806098 PKLASFRWKXWKII-UHFFFAOYSA-N 242.210 3.697 30 50 BHEA CCCCCCCCCC(=O)OCC 1648324 RGXWDWUGBIJHDO-UHFFFAOYSA-N 200.322 3.690 30 50 BHEA endogenous,in-man Cc1cccc(Cl)c1Oc1ncccc1C#N 675083027 ODSMKXPDVLYQAY-UHFFFAOYSA-N 244.681 3.707 30 50 BHEA COc1ccc(OC)c(/N=C/c2cccs2)c1 17063364 YURFKPBYJIMEQZ-NTEUORMPSA-N 247.319 3.516 30 50 BHEA CCC[C@](CCC#N)(C(C)=O)c1ccccc1 44125631 PJHGQNRUQWDSID-HNNXBMFYSA-N 229.323 3.617 30 50 BHEA Cc1cccc(-c2ccc(C#N)c(F)c2)c1 85477336 OQXOVHWHFHLROE-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro CC1(C)OB(/C=C/CC2CCCC2)OC1(C)C 169904153 GXNIAKZVBGUMHU-YRNVUSSQSA-N 236.164 3.754 30 50 BHEA in-vitro CSc1ccc(N=Cc2ccccc2O)cc1 254450832 WKSZACZFFDBTNB-UHFFFAOYSA-N 243.331 3.865 30 50 BHEA COc1ccc(C[C@@H](C#N)c2ccccc2)cc1 410130 GNYOWWNROKVNEL-HNNXBMFYSA-N 237.302 3.545 30 50 BHEA CCCCCCCC(=O)c1ccc(O)cc1 1696581 GPDYSJOGSNWMDZ-UHFFFAOYSA-N 220.312 3.935 30 50 BHEA biogenic,in-vitro CCCCCCCCCCCCC(N)=O 2170606 RSSGSPAYFRXVKG-UHFFFAOYSA-N 213.365 3.783 30 50 BHEA biogenic CCCCCCCCCCCC1=NCCN1 1688935 FQHUDZKKDCTQET-UHFFFAOYSA-N 224.392 3.909 30 50 BHEA in-vitro C=CCn1c(-c2cccs2)nc2ccccc21 572385 BOIULSZITPGODO-UHFFFAOYSA-N 240.331 3.951 30 50 BHEA C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12 30726859 HRYLQFBHBWLLLL-AHNJNIBGSA-N 232.323 3.551 30 50 BHEA biogenic,in-vivo N#Cc1ccc(-c2ccnc(C(F)F)c2)cc1 725273685 UQCJYPSAIWQTMT-UHFFFAOYSA-N 230.217 3.558 30 50 BHEA O=C(/C=C\c1cccc(Cl)c1)c1ccccn1 4566594 HYYAYBSDFNHBDZ-FPLPWBNLSA-N 243.693 3.631 30 50 BHEA CCc1cccc(CC)c1NC(=O)ON=C(C)C 4776564 PSDMANWOKDRKDF-UHFFFAOYSA-N 248.326 3.756 30 50 BHEA N#Cc1ccccc1-c1cnc2cccc(F)c2c1 1242717253 SRYYGENUWBOOEK-UHFFFAOYSA-N 248.260 3.913 30 50 BHEA CC(=O)/C=C/c1c(Cl)cccc1Cl 159576 QUUBBGLIJLKARO-AATRIKPKSA-N 215.079 3.596 30 50 BHEA N#Cc1ccc(OCc2ccccc2)c(Cl)c1 2884098 XAYYQCASMKDXRD-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA CCCCCCCCCC(=O)CC(=O)OCC 101449435 GUIDAPPCHUNALD-UHFFFAOYSA-N 242.359 3.649 30 50 BHEA in-vitro Cc1cc(-c2cccs2)c(C#N)c(=S)[nH]1 405912 AJMSNHGKNZFNOS-UHFFFAOYSA-N 232.333 3.653 30 50 BHEA CCC[N@+](C)(CC#CC1CC1)C1CCCCC1 239297283 DXYFEPKXQNSHLY-QGZVFWFLSA-N 234.407 3.589 30 50 BHEA Cc1ccc(/C=N/c2ccc(F)cc2)cc1 100996871 KEDNEYGMTPTDIT-MHWRWJLKSA-N 213.255 3.885 30 50 BHEA CN(CC#C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 102674390 KYXVRQBHMGRRGY-OAGGEKHMSA-N 245.410 3.691 30 50 BHEA CCCC1CCC(C=O)(Cc2cccnc2)CC1 316775879 FNUYAHSXRIKLMQ-UHFFFAOYSA-N 245.366 3.800 30 50 BHEA C[C@]12CC=CC[C@H]1[C@H]1CCC(=O)C=C1CC2 4831141 GZZGLTRHSOLVJB-SOUVJXGZSA-N 216.324 3.658 30 50 BHEA Cc1cc(C)cc(-c2cccc(C#N)c2)c1 49813986 QBYQOHMDGQMIQB-UHFFFAOYSA-N 207.276 3.842 30 50 BHEA in-vitro C(=C/c1ccccc1)\C=N\Nc1ccccc1 1704988 WKFCGJZYIWAEEX-NJKRNUQASA-N 222.291 3.798 30 50 BHEA Fc1cc(F)c(C(F)F)cc1OC(F)(F)F 263624114 NNAWMZRNMPRKAY-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA C=CCNCCCOc1ccccc1[C@@H](C)CC 3000371 OKLKCUQOOJRPQQ-AWEZNQCLSA-N 247.382 3.745 30 50 BHEA C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)C(=O)C[C@@H]12 299817396 APMZPJSZMOWSFA-YDHLFZDLSA-N 218.340 3.904 30 50 BHEA biogenic Clc1ccc(C#Cc2ccccc2)cc1 1599899 YMZAAGCDWVIPNL-UHFFFAOYSA-N 212.679 3.740 30 50 BHEA O=C(/C=C/c1ccco1)c1ccccc1Cl 5678836 CJFXYIJZMOEFAS-BQYQJAHWSA-N 232.666 3.829 30 50 BHEA N#Cc1cccc2c1[nH]c1ccc(Cl)cc12 2495204 AZWMVGLCDQGEBE-UHFFFAOYSA-N 226.666 3.846 30 50 BHEA C=CCNCCCOc1ccc([C@@H](C)CC)cc1 3000574 WMMWAMZERPFQIB-AWEZNQCLSA-N 247.382 3.745 30 50 BHEA CN(C)c1ccc(/N=C/c2ccccc2)cc1 18069032 JGOSMRRQKONTJF-FOWTUZBSSA-N 224.307 3.503 30 50 BHEA Cc1ccccc1N=Cc1cccc([N+](=O)[O-])c1 253476529 ZTFAOAOMPKRDSY-UHFFFAOYSA-N 240.262 3.654 30 50 BHEA CC(=O)/C=C/[C@H]1C(C)=CC[C@@H](C)C1(C)C 3875521 JZQOJFLIJNRDHK-UZPJXDOOSA-N 206.329 3.760 30 50 BHEA endogenous,in-man Clc1ccccc1[C@@]12CCCCC[C@@H]1O2 44125495 FEDMFSBPKMMCMG-STQMWFEESA-N 222.715 3.898 30 50 BHEA CC1=C(C2([Si](C)(C)C)CC2)CCCC1=O 169828804 KAGGPXXPSRBCBY-UHFFFAOYSA-N 222.404 3.928 30 50 BHEA C=C1CCCC[C@]1(NCC)c1cccs1 96027451 PXCSKKAPMAAUDI-CYBMUJFWSA-N 221.369 3.683 30 50 BHEA O=C(/C=C\c1cccc(Cl)c1)c1cccnc1 4566947 PBQDSGWKNQEJFH-SREVYHEPSA-N 243.693 3.631 30 50 BHEA CCCCCCCCSCCC(=O)O 1693813 OIXUWMYLRUBAHK-UHFFFAOYSA-N 218.362 3.555 30 50 BHEA biogenic C#Cc1cc2ccccc2c2ccccc12 2548221 FMKVRRYQWWPOAL-UHFFFAOYSA-N 202.256 3.974 30 50 BHEA Cc1c(Cl)cccc1N/C(S)=N/C1CC1 8683641 SBZILUMBMDHRGA-UHFFFAOYSA-N 240.759 3.509 30 50 BHEA C=C(C)CC[C@@H](C)N[C@H](C)CCCC(C)(C)O 19609060 GAKNXTASSVLWLO-ZIAGYGMSSA-N 241.419 3.651 30 50 BHEA C=CCC[C@]12CCC[C@H]1C(=O)CC2(C)C 71786038 DOWDWMIWCRQTJR-FZMZJTMJSA-N 206.329 3.738 30 50 BHEA C=CC[C@@H](NCc1ccccc1)c1ccco1 163940 WXPYPAIHLJNYIN-CQSZACIVSA-N 227.307 3.687 30 50 BHEA CC(C#N)(c1ccccc1)c1ccccc1 1691314 DPVHBXFSKLKYIQ-UHFFFAOYSA-N 207.276 3.516 30 50 BHEA in-vitro Cc1ccc(/C=N/N=C/c2ccc(C)s2)s1 2132965 QXERRTVWENUEGZ-FNCQTZNRSA-N 248.376 3.879 30 50 BHEA N/N=C/c1ccc2ccc3cccc4ccc1c2c34 2149941 AIYIPTFRVFQOMC-VXLYETTFSA-N 244.297 3.877 30 50 BHEA N#Cc1cc(-c2ccc(Cl)cc2)cnc1Cl 169453 LZLIPWXJWNAMQJ-UHFFFAOYSA-N 249.100 3.927 30 50 BHEA C=CCCCCOCOCCCCC=C 3051582 GVWXGBBPPTVHBD-UHFFFAOYSA-N 212.333 3.690 30 50 BHEA N#Cc1ccc(-c2cc(F)cc(F)c2)cc1 75872948 SUJHUDVODJQZHR-UHFFFAOYSA-N 215.202 3.503 30 50 BHEA in-vitro N#Cc1cccc(-c2ccc(F)c3[nH]ccc23)c1 871590386 QHRBKVXPVWRUSF-UHFFFAOYSA-N 236.249 3.846 30 50 BHEA CC1=C2CC(C)(C)[C@@H]3CC[C@H](C)[C@]23CC1=O 71786137 QLLZLTPJZKQHMD-DYQSUWPFSA-N 218.340 3.738 30 50 BHEA CCCCCCCCOC(=O)[C@H](C)CC 86022662 BCOJVEMHTBSAOE-GFCCVEGCSA-N 214.349 3.936 30 50 BHEA endogenous,in-man Oc1ccc2ccccc2c1C=Nc1ccccn1 254391341 VXEIALPYLNOWSH-UHFFFAOYSA-N 248.285 3.691 30 50 BHEA C=CC[C@H](NCc1ccccc1)c1ccc(C)o1 163945 WFIGJCTWOAHUNI-HNNXBMFYSA-N 241.334 3.995 30 50 BHEA Cc1ccc(Sc2ccc(C#N)cc2N)cc1 1387496 LIHSBHCLTABYTN-UHFFFAOYSA-N 240.331 3.600 30 50 BHEA Cc1ccsc1/C=N/N=C/c1sccc1C 2895008 AQSGGOLDOQGOAO-FNCQTZNRSA-N 248.376 3.879 30 50 BHEA COc1ccccc1/C=C/C(=O)c1ccsc1 4020752 CVDQWXZLMYGWAT-VOTSOKGWSA-N 244.315 3.653 30 50 BHEA N#Cc1cccc(Sc2ccccc2)c1C#N 392305 CAUWFTZWRWFKAG-UHFFFAOYSA-N 236.299 3.581 30 50 BHEA CC(=NN=C(C)c1ccccc1)c1ccccc1 254749116 MOKMQSIJAHPSQX-UHFFFAOYSA-N 236.318 3.920 30 50 BHEA Oc1ccccc1C=Nc1ccccc1Cl 254868383 RJZYMXSMSDKXBO-UHFFFAOYSA-N 231.682 3.796 30 50 BHEA O=C(/C=C/c1cccs1)c1cccs1 3864891 WCAGHDMFZMUUPQ-AATRIKPKSA-N 220.318 3.706 30 50 BHEA CCc1ccc(/N=C/c2ccccc2O)cc1 95851152 OLUGVEIBZJDJFG-LFIBNONCSA-N 225.291 3.705 30 50 BHEA FC(F)(F)/C(Cl)=N\c1ccccc1 100020614 UKKALSJSKAHGTL-NTUHNPAUSA-N 207.582 3.518 30 50 BHEA CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 88241159 RTGGFPLAKRCINA-UHFFFAOYSA-N 248.088 3.865 30 50 BHEA CCc1onc(C)c1N=C(O)[C@@H]1CC12CCCC2 328813576 FYGJRSGOQFHCGY-JTQLQIEISA-N 248.326 3.714 30 50 BHEA Cc1ccc(-c2snc(Cl)c2C#N)cc1 161503 BUKXYCDRPWTESJ-UHFFFAOYSA-N 234.711 3.644 30 50 BHEA C/C(=N\O)c1ccc(-c2ccccc2)cc1 16137237 GPYKKVAVBZNFOZ-RVDMUPIBSA-N 211.264 3.552 30 50 BHEA CC(C)C12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798636 UBPHPPVSPOUOPN-UHFFFAOYSA-N 236.164 3.659 30 50 BHEA Cc1ccc([C@]2(CC#N)CCOC(C)(C)C2)cc1 244161 HMCMXGAKKRTKED-MRXNPFEDSA-N 243.350 3.736 30 50 BHEA CC1=CC(=O)c2c(C)coc2CC(C)=CCC1 255281944 XVOHELPNOXGRBQ-UHFFFAOYSA-N 230.307 4.000 30 50 BHEA biogenic,in-vitro O=C(/C=C/C=C/c1ccccc1)c1ccncc1 2816137 NIKAUDXSENSZCT-KBXRYBNXSA-N 235.286 3.534 30 50 BHEA CC1(C)CC(=O)C=C(NC2CCCCCC2)C1 4631328 BPWWVPCPODEZSH-UHFFFAOYSA-N 235.371 3.572 30 50 BHEA CCOc1ccc2c3c(cccc13)C(=O)C=C2C 225613 MKNDSAMBNFQTRY-UHFFFAOYSA-N 238.286 3.838 30 50 BHEA biogenic CCOc1ccc(/N=C/c2ccccc2)cc1 575191 HCWVEGYBZIFTKU-FOWTUZBSSA-N 225.291 3.836 30 50 BHEA N#CC1(N=C=C2CCCCC2)CCCCC1 3132364 KCRARPSQDFJQGY-UHFFFAOYSA-N 216.328 3.773 30 50 BHEA C#CC[C@H](CC)NC1CC(c2ccc(C)cc2)C1 167514866 UDLBAEZEOZZERL-CGZBRXJRSA-N 241.378 3.633 30 50 BHEA N#CCc1nc(-c2ccc(Cl)cc2)cs1 137837 CECOBIWITUICNO-UHFFFAOYSA-N 234.711 3.530 30 50 BHEA Cc1ccccc1NC1=CC(=O)CC(C)(C)C1 8680597 SOPAHYKHHSLSLX-UHFFFAOYSA-N 229.323 3.680 30 50 BHEA Cc1ccc(N=Cc2ccccc2O)cc1C 254524712 UMZBCFICQFILIB-UHFFFAOYSA-N 225.291 3.760 30 50 BHEA CCc1cccc(C)c1NC(=O)ON=C(C)C 4775527 IIGWCZPYGDZEIW-UHFFFAOYSA-N 234.299 3.502 30 50 BHEA C=CCCC(=O)c1cccc(C(F)(F)F)c1 70593429 UCVAOVDXZWAFPR-UHFFFAOYSA-N 228.213 3.854 30 50 BHEA in-vitro CC(C)(C)N/N=C/c1c(Cl)cccc1Cl 96027877 VRHALVIBBVOQSZ-VGOFMYFVSA-N 245.153 3.715 30 50 BHEA CCCCCCC[C@H](CC=O)SC 215983551 WZRMFIROSHXUJB-LLVKDONJSA-N 202.363 3.668 30 50 BHEA N#CC1(c2ccc(OCc3ccccc3)cc2)CC1 95705256 KFDGXNABDPORRJ-UHFFFAOYSA-N 249.313 3.821 30 50 BHEA in-vitro C=CCn1c(-c2ccccc2)nc2ccccc21 238949 XTTAWWYPJOIWHV-UHFFFAOYSA-N 234.302 3.889 30 50 BHEA CC1(C)CCC(C)(C)c2cc(OCC=O)ccc21 3080767 CMQCQCKNMHIIKJ-UHFFFAOYSA-N 246.350 3.613 30 50 BHEA CC/C(C)=N/N[C@](C)(CC)c1ccccc1 4800323 BJXCJJPBJWPQDJ-FQZGENGWSA-N 218.344 3.687 30 50 BHEA CC(C)=C1CC(C)(C)[C@H]2CC[C@@H](C)[C@@H]2C1=O 71786133 SRARINBJVOZCBK-WXHSDQCUSA-N 220.356 3.984 30 50 BHEA Fc1cc(C(F)F)cc(F)c1OC(F)(F)F 263623328 GONRKCKYQKEYOI-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA N#CCc1ccc(-c2ccc(F)c(F)c2F)cc1 725272576 QYSVKJPLNWWTKN-UHFFFAOYSA-N 247.219 3.837 30 50 BHEA N#CCc1ccc(Oc2ccccc2)cc1 156222 PCOVIPKFOQOPEH-UHFFFAOYSA-N 209.248 3.545 30 50 BHEA CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C 100004275 JRJBVWJSTHECJK-STRFDMGBSA-N 206.329 3.904 30 50 BHEA endogenous,in-man C=CCCC1CCN(C(=O)OC(C)(C)C)CC1 238149726 GDMGCERFCRVRDI-UHFFFAOYSA-N 239.359 3.600 30 50 BHEA N#C[C@H]1CC1(c1ccccc1)c1ccccc1 3121773 DHLFXGMJDRNWME-OAHLLOKOSA-N 219.287 3.516 30 50 BHEA in-vitro CCCCCCCCCCCC[C@H](O)C(=O)O 1538404 JYZJYKOZGGEXSX-ZDUSSCGKSA-N 244.375 3.743 30 50 BHEA endogenous,in-man CC(C)Cc1ccc(Br)cc1C#N 66325904 LNXBMWBKHDYMAY-UHFFFAOYSA-N 238.128 3.519 30 50 BHEA Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccs1 4582944 LPVXDJLVAQACSK-MDWZMJQESA-N 246.291 3.715 30 50 BHEA C#CCC[C@H](CCCCC)O[C@@H]1CCCCO1 38302676 RXFVLXNCIATBOG-HUUCEWRRSA-N 238.371 3.892 30 50 BHEA in-vitro CCCCCCCCCCCCOCCO 8437287 SFNALCNOMXIBKG-UHFFFAOYSA-N 230.392 3.916 30 50 BHEA biogenic,fda CC[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@@]2(C)O1 396029475 WHMUSDTWJRKCSL-CYRBOEJBSA-N 236.164 3.515 30 50 BHEA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 35888 KWZDWUOSGNGFOU-VIFPVBQESA-N 248.395 3.743 30 50 BHEA C=C[C@](C)(CCC=C(C)C)OC(=O)CC 1850986 WAQIIHCCEMGYKP-CYBMUJFWSA-N 210.317 3.631 30 50 BHEA endogenous,in-man N#Cc1cccc(-c2cc(O)cc(Cl)c2)c1F 65343240 YNAZOQWGNKHNEE-UHFFFAOYSA-N 247.656 3.723 30 50 BHEA in-vitro Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F 85477343 YCRBIMAMFQJRTM-UHFFFAOYSA-N 229.229 3.812 30 50 BHEA in-vitro Cc1cccc2sc(C#N)c(Cl)c12 338818 RHWQVRKDOHNZBE-UHFFFAOYSA-N 207.685 3.735 30 50 BHEA O=C(/C=C/c1ccccc1)Cc1ccccc1 1724550 QMDWBHJPUAOGHO-VAWYXSNFSA-N 222.287 3.512 30 50 BHEA C=C1CCC[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 15207331 ZTVSGQPHMUYCRS-DOMZBBRYSA-N 230.307 3.510 30 50 BHEA biogenic CC[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169747764 NTSKENROBGXZLC-NSHDSACASA-N 236.164 3.754 30 50 BHEA in-vitro Cc1ccc(Oc2cccc(F)c2C#N)cc1 162080 JLTWAYPSQIKWIL-UHFFFAOYSA-N 227.238 3.798 30 50 BHEA in-vitro CCc1ccc(-c2ccc(C#N)cc2)cc1 1260186 DLLIPJSMDJCZRF-UHFFFAOYSA-N 207.276 3.788 30 50 BHEA N#C[C@@H]1C(=N)Cc2ccccc2-c2ccccc21 31649165 UGFOMFGCDBVENN-HNNXBMFYSA-N 232.286 3.537 30 50 BHEA N#CC1(/N=N/C2(C#N)CCCCC2)CCCCC1 4521174 KYIKRXIYLAGAKQ-ISLYRVAYSA-N 244.342 3.892 30 50 BHEA C=CCSc1ncnc2sc(C)c(C)c12 1778599 QZNSWPLVOZVRTB-UHFFFAOYSA-N 236.365 3.586 30 50 BHEA CCCCCCCCCCCC[C@H](O)CO 2045232 DWANEFRJKWXRSG-AWEZNQCLSA-N 230.392 3.651 30 50 BHEA biogenic,in-vitro CCCC(Cl)=NOC(=O)Nc1ccccc1 252430987 XIVUXWNBEUZUCX-UHFFFAOYSA-N 240.690 3.588 30 50 BHEA N#Cc1ccc(-c2cnc3cc(F)ccc3c2)cc1 1245495884 GPILRFQKARXUSK-UHFFFAOYSA-N 248.260 3.913 30 50 BHEA CCCCCCCNC(=O)c1ccccc1C 2131800 SUJCVOMIQWEFHH-UHFFFAOYSA-N 233.355 3.695 30 50 BHEA CCCCCCCCCCCCNCCCN 59496006 XMMDVXFQGOEOKH-UHFFFAOYSA-N 242.451 3.846 30 50 BHEA Cc1ccc(-c2ccc(C#N)cc2)cc1F 74937808 YAECPXFOMDFTCQ-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 245209 GSOZSSDYIVFJRF-XNTDXEJSSA-N 240.262 3.654 30 50 BHEA CCCCCCCCCC[C@@H](C(=O)O)N(C)C 100743743 AURJQLFZBQODSR-ZDUSSCGKSA-N 243.391 3.532 30 50 BHEA C=C(C(=O)O)[C@@H]1C=C2[C@H](C)CCC[C@@]2(C)CC1 169503604 PHYJIMYAZBSQFJ-GMXABZIVSA-N 234.339 3.790 30 50 BHEA biogenic CCOc1ccccc1N/C=C/C(=O)C(C)(C)C 16693502 NEBRBOAWAGVGTI-ZHACJKMWSA-N 247.338 3.626 30 50 BHEA CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169747900 JQEUELMRQYUNDS-UHFFFAOYSA-N 236.164 3.754 30 50 BHEA in-vitro N#Cc1cc(C(F)F)cc(C(F)(F)F)c1 263625173 XJINVMYPCVINSL-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA Cc1ccc(/N=C/c2ccc(O)cc2)cc1C 487336 DLVBEDRLFHKVQQ-MHWRWJLKSA-N 225.291 3.760 30 50 BHEA C/C(=N/O)c1ccc(C2CCCCC2)cc1 4951793 CQGBYUVOBDHUCU-PTNGSMBKSA-N 217.312 3.933 30 50 BHEA CSc1ccc(-c2cccc(C#N)c2)cc1 1259600 YWSOBYWFXBMPSS-UHFFFAOYSA-N 225.316 3.947 30 50 BHEA in-vitro N#Cc1cc(C(F)(F)F)ccc1C(F)(F)F 2243293 OMAYRCLGTUORSS-UHFFFAOYSA-N 239.118 3.596 30 50 BHEA CC(=O)/C(=C\c1ccccc1)c1ccccc1 4530687 PXTNHINUEHWZIX-FOWTUZBSSA-N 222.287 3.816 30 50 BHEA N#Cc1ccc(-c2ccccc2Br)o1 4840326 HQTHDRHNTTXCJD-UHFFFAOYSA-N 248.079 3.581 30 50 BHEA C=C(C)CNCc1ccc2ccccc2c1 153390570 QHLQFIDVXBAMOT-UHFFFAOYSA-N 211.308 3.506 30 50 BHEA Cc1ccc([N+](=O)[O-])cc1/N=C/c1cccs1 585414 ISJOPSXWNJNGGY-MDWZMJQESA-N 246.291 3.715 30 50 BHEA CC(C)(C)c1cc(/C=N\O)cc(C(C)(C)C)c1O 13130024 MHAZQZQNQAMVMT-SXGWCWSVSA-N 249.354 3.795 30 50 BHEA C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1433258 MAHIBRPXUPUAIF-UHFFFAOYSA-N 238.130 3.706 30 50 BHEA in-vitro C=CCNCc1ccc(-c2ccc(Cl)cc2)o1 6730578 RDWMUGWKWTUJEB-UHFFFAOYSA-N 247.725 3.876 30 50 BHEA COc1cc2c(cc1C#N)C(C)(C)CCC2(C)C 391400 CBYIKJWLSMZHFB-UHFFFAOYSA-N 243.350 3.916 30 50 BHEA C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1 195999560 OMCOUZHMRUKCRO-UHFFFAOYSA-N 236.164 3.754 30 50 BHEA C/C(Cc1ccccc1)=N\Nc1ccccc1 13404344 WJWRDCQQOSUHJI-DTQAZKPQSA-N 224.307 3.717 30 50 BHEA CCCCCCCC[C@H](CC)C(=O)O 2509964 WJZIPMQUKSTHLV-NSHDSACASA-N 200.322 3.848 30 50 BHEA Cc1cccc(N/C=C/C(=O)C(C)(C)C)c1C 16349972 QSSNPEAYSGLTIH-MDZDMXLPSA-N 231.339 3.844 30 50 BHEA C=CCOP(OCC=C)N(C(C)C)C(C)C 2559000 QBLCHHSGJTUNSJ-UHFFFAOYSA-N 245.303 3.737 30 50 BHEA c1ccc(N/N=C(/c2cccs2)C2CC2)cc1 25586101 SHTKQGTZRRJUBL-JQIJEIRASA-N 242.347 3.974 30 50 BHEA N#CC[C@]12CC=CC[C@@]1(CC#N)CCCC2 43761646 HDQITUBGSCEZFB-OKILXGFUSA-N 214.312 3.711 30 50 BHEA C[C@H]1CCCC/C1=C/B1OC(C)(C)C(C)(C)O1 306877325 CFKHBGIWGPUIHM-NIANNCQZSA-N 236.164 3.754 30 50 BHEA N#Cc1ccc(OCc2ccccc2Cl)cc1 4826370 PVDCGRRJVOGSRT-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA C=C1CCCC[C@@]1(NCC)c1cccs1 96027452 PXCSKKAPMAAUDI-ZDUSSCGKSA-N 221.369 3.683 30 50 BHEA Cc1ccc(/C=C/C(=O)c2ccccc2)cc1 4269994 XNLFHCPVTULKIV-VAWYXSNFSA-N 222.287 3.891 30 50 BHEA biogenic COc1ccccc1/C=C/C(=O)c1ccccc1 4473135 ZWTRSTWJBWJEFR-VAWYXSNFSA-N 238.286 3.591 30 50 BHEA O/N=C1\CCCC[C@H]1c1ccccc1Cl 71773218 UXBNNZONDFQROZ-OKQWNRDOSA-N 223.703 3.828 30 50 BHEA O/N=C/c1c2ccccc2cc2ccccc12 100041678 HLGMTCSSRBPNOQ-MHWRWJLKSA-N 221.259 3.801 30 50 BHEA in-vitro Cc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 186150 FSWZTHYTZCBJJA-UHFFFAOYSA-N 229.323 3.680 30 50 BHEA N#Cc1ccccc1Sc1ccccc1 332464 XLUBZYPWTQDHNU-UHFFFAOYSA-N 211.289 3.709 30 50 BHEA Cc1cc(C=NO)c(C)n1-c1cccc(Cl)c1 244719101 LWYZNGZJCVEAON-UHFFFAOYSA-N 248.713 3.556 30 50 BHEA C/C(=N\Nc1ccccc1)c1ccccc1 4698915 CPSCIFXVLXCFIQ-NTCAYCPXSA-N 210.280 3.523 30 50 BHEA C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]12 13381259 PLQMEXSCSAIXGB-GHYVTOPFSA-N 234.339 3.646 30 50 BHEA biogenic CCCCCCCCCCCC(=O)N(C)C 1707969 BDYUSDIJIDGWCY-UHFFFAOYSA-N 227.392 3.996 30 50 BHEA Cc1ccc(F)c(-c2cccc(C#N)c2)c1 84934346 PSKAKNXFJUEORD-UHFFFAOYSA-N 211.239 3.673 30 50 BHEA in-vitro CCCCCCCNC(=O)C1[C@H]2CCCC[C@H]12 103015392 STGNEYLWUBUELQ-STQMWFEESA-N 237.387 3.509 30 50 BHEA CCCCCCC[C@@H](CC=O)SC 215983599 WZRMFIROSHXUJB-NSHDSACASA-N 202.363 3.668 30 50 BHEA Cc1ccc(OCCCCCS)c(C)c1 3876715 KBQLGLHJBGYEQZ-UHFFFAOYSA-N 224.369 3.782 30 50 BHEA CCCCCCCC[C@@H]1CCCC(=O)O1 100299808 RZZLMGATMUAJPX-GFCCVEGCSA-N 212.333 3.833 30 50 BHEA in-vitro C=CCN(CC=C)C(=O)Nc1cc(C)ccc1C 396618 GEFKIFQNNMLKEQ-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA CCCCCCCCOC(=O)CCC 1697409 PWLNAUNEAKQYLH-UHFFFAOYSA-N 200.322 3.690 30 50 BHEA endogenous,in-man Cc1cc(NC2=CC(=O)CC(C)(C)C2)ccc1F 1112744 UUODLDGZIRESMH-UHFFFAOYSA-N 247.313 3.819 30 50 BHEA CCCCCCCOC(=O)c1ccccc1O 100080978 UGHVXXDQKXLCID-UHFFFAOYSA-N 236.311 3.519 30 50 BHEA C=CCOC(=O)Nc1cc(Cl)ccc1Cl 2171736 BPFKGHPCIZNMJB-UHFFFAOYSA-N 246.093 3.728 30 50 BHEA O=C(/C=C\c1ccccc1)c1ccc(F)cc1 4786736 VKNQSJQWRINEFS-WDZFZDKYSA-N 226.250 3.722 30 50 BHEA CC(C)(C#N)c1cccc(C(F)(F)F)c1 37934414 QFRVMNGNTXGJKL-UHFFFAOYSA-N 213.202 3.507 30 50 BHEA in-vitro C=CCCCCCCCC[C@@H]1OCCN1CC 71784146 JAVMQJKTKNYVDO-HNNXBMFYSA-N 239.403 3.971 30 50 BHEA C=CCN(CC=C)C(=O)Nc1ccc(C)c(C)c1 397207 QJCMKOKBOSXQRZ-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA C=CC[C@H](O)c1cc(Cl)cc(Cl)c1 15441060 LKHUTOSDFMPDOE-JTQLQIEISA-N 217.095 3.603 30 50 BHEA N#Cc1ccc(Cl)c(OCc2ccccc2)c1 261494276 UAOXBBVSAIRPMO-UHFFFAOYSA-N 243.693 3.791 30 50 BHEA C=CCOc1ccccc1CN1CCCC[C@@H]1C 4988087 SSCVMDGWZQUQIC-AWEZNQCLSA-N 245.366 3.626 30 50 BHEA C[Si](C)(C)C#Cc1cccc(Cl)c1 169877071 UXVJIDSXBAHIDV-UHFFFAOYSA-N 208.764 3.569 30 50 BHEA CCN(CC#N)CC[C@@H](C)CCC=C(C)C 170616037 ZONRASOWZNDVNH-AWEZNQCLSA-N 222.376 3.604 30 50 BHEA CN(/C(S)=N/c1ccccc1)c1ccccc1 5423065 WFICXIZBSZGSGV-UHFFFAOYSA-N 242.347 3.740 30 50 BHEA C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3 33966955 DCTVCFJTKSQXED-UHFFFAOYSA-N 248.366 3.711 30 50 BHEA Fc1cc(OC(F)(F)F)c(C(F)F)cc1F 263625165 XHUFDKBGJYMOQA-UHFFFAOYSA-N 248.097 3.801 30 50 BHEA CC1(C)OB([C@@H]2C[C@H]2C2CCCC2)OC1(C)C 1857778182 LGNSYQUAXUXAOJ-NWDGAFQWSA-N 236.164 3.659 30 50 BHEA O=C1C=C2CCCCCCC[C@@]3(C=C[C@@H]13)C2 71786381 IKFPUHFYHPVOAW-DZGCQCFKSA-N 216.324 3.802 30 50 BHEA FC(F)(F)C(F)(c1ccccc1)C(F)(F)F 63148456 CHPJUEBSVFTIRX-UHFFFAOYSA-N 246.125 3.976 30 50 BHEA CCCCCCCc1ccc(C(=O)NC)cc1 100968589 RIQQJJQUYYVREG-UHFFFAOYSA-N 233.355 3.559 30 50 BHEA C=CCSc1nc(C)c2cc(C)ccc2n1 1902077 VPWKYMLVQSULOB-UHFFFAOYSA-N 230.336 3.525 30 50 BHEA Cc1ccc([C@@H](CCC#N)OC(C)C)cc1 2043900 AFVNASUMPFJDPV-CQSZACIVSA-N 217.312 3.765 30 50 BHEA Cc1ccccc1N=Cc1ccc(N(C)C)cc1 254305261 CHVTVWWPOOMSEF-UHFFFAOYSA-N 238.334 3.812 30 50 BHEA Cc1ccc(C(=O)/C=C/c2cccc(F)c2)o1 4612932 XFTFESMGIFGXLA-VOTSOKGWSA-N 230.238 3.623 30 50 BHEA COc1ccc(C[C@H](C#N)c2ccccc2)cc1 410131 GNYOWWNROKVNEL-OAHLLOKOSA-N 237.302 3.545 30 50 BHEA O=C(/C=C\c1ccccc1Cl)c1cccnc1 4566657 UYDZUMJCHXHXMM-FPLPWBNLSA-N 243.693 3.631 30 50 BHEA Cc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1 2164803 MTKMJIIIUICKAX-XNTDXEJSSA-N 240.262 3.654 30 50 BHEA Cc1ccccc1/C=C/C(=O)c1ccsc1 170606358 WHARTLBTNRLGOG-VOTSOKGWSA-N 228.316 3.953 30 50 BHEA C=CCCC[C@](C)(C(C)=O)c1ccccc1 43198649 KHVVHDJGJACGPB-OAHLLOKOSA-N 216.324 3.890 30 50 BHEA N#Cc1c(C(F)F)cccc1C(F)(F)F 263624052 MZTKLQGHAMJRBH-UHFFFAOYSA-N 221.128 3.515 30 50 BHEA C=C(C)Cn1c(C(F)(F)F)nc2ccccc21 352683 ZVAZSZZOCVLDJZ-UHFFFAOYSA-N 240.228 3.631 30 50 BHEA C[C@H](/C(=N/O)c1ccccc1)c1ccccc1 17300309 YTKPYWFDRHHTTK-SUQMRRJOSA-N 225.291 3.669 30 50 BHEA COc1ccc(/N=C/c2cccs2)cc1 17060124 ORWHLIROYKRIJT-UKTHLTGXSA-N 217.293 3.507 30 50 BHEA Oc1cccc(/C=N/c2ccc(Cl)cc2)c1O 283158 YSKDSXHNNKVTGV-OVCLIPMQSA-N 247.681 3.502 30 50 BHEA C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccccc1 200985412 UWZANNWZLJPRSC-QXMHVHEDSA-N 244.143 3.721 30 50 BHEA C#CCC[C@H](CCCCC)O[C@H]1CCCCO1 38302677 RXFVLXNCIATBOG-CABCVRRESA-N 238.371 3.892 30 50 BHEA in-vitro N#Cc1cccc(-c2ccc(Cl)cc2)c1 1257429 NLYWRRITUDDJRO-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro CCCC#CCN(CCCC)CCCC 1666143 KTSLZXKCZRDDID-UHFFFAOYSA-N 209.377 3.692 30 50 BHEA CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1 225433 LXJZYHPGRKBVGF-RMKNXTFCSA-N 222.715 3.968 30 50 BHEA C=CCNCc1c(OCC)ccc2ccccc12 6746219 PPZPOVBEFCBJOW-UHFFFAOYSA-N 241.334 3.514 30 50 BHEA CC(C)=CC(=O)C[C@H](C)c1ccc(O)c(C)c1 137529947 IBJADFSTHKILPU-NSHDSACASA-N 232.323 3.730 30 50 BHEA biogenic C=C[C@@]1(C)CC[C@H](Sc2ccccc2)O1 43762954 WXPGGWPJPSHGNY-STQMWFEESA-N 220.337 3.860 30 50 BHEA N#Cc1ccccc1-c1ccc(Cl)cc1 1259521 ZNYVLXVPKPEZLG-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro N#Cc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 20598284 WULKMSDJAXSMLS-UHFFFAOYSA-N 245.285 3.615 30 50 BHEA N#Cc1cc2ccccc2c2ccccc12 1689785 CWFIYYOQYVYBPW-UHFFFAOYSA-N 203.244 3.865 30 50 BHEA in-vitro CCCCCCB1OC(C)(C)C(C)(C)O1 169746003 LDPMCSWZEGKWLC-UHFFFAOYSA-N 212.142 3.659 30 50 BHEA N#Cc1ccc(-c2cccc(F)c2)cc1F 47204180 KYACUYUBQSBPPB-UHFFFAOYSA-N 215.202 3.503 30 50 BHEA in-vitro CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S2 241306 KVFVBTRWHZAXNS-UHFFFAOYSA-N 245.347 3.805 30 50 BHEA Oc1cccc(/C=N/c2ccccc2Cl)c1O 65659 YIHJXXDTCOFZGJ-OVCLIPMQSA-N 247.681 3.502 30 50 BHEA C[C@H](/N=C/c1ccc(O)cc1)c1ccccc1 246311 ROZHGGKQXAOVMK-JASJWYONSA-N 225.291 3.572 30 50 BHEA CC(C)(C)c1cc(/C=N/O)c(O)c(C(C)(C)C)c1 297390 OLGWQHUJCKJMLI-CXUHLZMHSA-N 249.354 3.795 30 50 BHEA CC/N=C(/S)Nc1ccc(Cl)cc1Cl 8683603 KGMDWKCHZSVEBB-UHFFFAOYSA-N 249.166 3.711 30 50 BHEA N#Cc1ccc(-c2cccc(C(F)F)c2F)nc1 1875331038 MIFBBCDURCBMTN-UHFFFAOYSA-N 248.207 3.697 30 50 BHEA Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1F 128566 CFXVEXHKXDYTSV-UHFFFAOYSA-N 247.313 3.819 30 50 BHEA O=C(/C=C\c1ccccc1Cl)c1ccccn1 4566606 KKKHVUICKJZSCW-HJWRWDBZSA-N 243.693 3.631 30 50 BHEA CCCCCCCCCC[N+](C)(C)C 1700269 RKMJXTWHATWGNX-UHFFFAOYSA-N 200.390 3.833 30 50 BHEA in-vivo N#Cc1cc(Cl)cc(Cl)c1Cl 36532915 MMDWDMLGGFMMCQ-UHFFFAOYSA-N 206.459 3.518 30 50 BHEA O=C1C=C(c2ccccc2)O/C1=C/c1ccccc1 8380681 CBQMSXPZVHJEJS-GZTJUZNOSA-N 248.281 3.668 30 50 BHEA CCCCC#C[C@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C 226151856 FSEFWQYUPPBPPV-KBMXLJTQSA-N 234.383 3.757 30 50 BHEA N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 254632451 KYIKRXIYLAGAKQ-UHFFFAOYSA-N 244.342 3.892 30 50 BHEA C[C@H]1CCC[C@H](C)N1CCCCCCC#N 44125926 BKUYXTAQDRRERJ-KBPBESRZSA-N 222.376 3.723 30 50 BHEA N#CC1(c2ccc(F)c(F)c2)CCCCC1 91691461 UJXVASZCOADOKY-UHFFFAOYSA-N 221.250 3.690 30 50 BHEA COc1ccc([C@@H](CC#N)c2ccccc2)cc1 616652 BEUQLDWAMFIMQY-INIZCTEOSA-N 237.302 3.741 30 50 BHEA Cc1ccc2cc(C#C[Si](C)(C)C)ccc2n1 169981732 LNIBCGCWBHXULV-UHFFFAOYSA-N 239.394 3.772 30 50 BHEA in-vitro Cc1ccc(-c2ccnc(C(F)F)c2)cc1C#N 725273440 COELLLXEXHJOMS-UHFFFAOYSA-N 244.244 3.866 30 50 BHEA CCCCCCCCCCOC[C@@H]1CO1 2571931 NPKKFQUHBHQTSH-CYBMUJFWSA-N 214.349 3.543 30 50 BHEA C/C(=N\Nc1ccccc1)c1cccs1 4699795 QWAZWODLXPIHLO-JLHYYAGUSA-N 216.309 3.584 30 50 BHEA CCN(CC#N)CC[C@H](C)CCC=C(C)C 170616038 ZONRASOWZNDVNH-CQSZACIVSA-N 222.376 3.604 30 50 BHEA CCc1ccc(/N=C/c2ccc(O)cc2)cc1 2143601 DLEOYSNRPZLRQG-LFIBNONCSA-N 225.291 3.705 30 50 BHEA Oc1ccc(Cl)cc1C=Nc1ccccc1O 254593835 OXAVAFVYFWICKS-UHFFFAOYSA-N 247.681 3.502 30 50 BHEA N#Cc1ccc(-c2csc3ccccc23)cn1 67850732 PYZRRRDAFVTQHY-UHFFFAOYSA-N 236.299 3.835 30 50 BHEA CSc1ccc(-c2ccccc2C#N)cc1 1259503 FPPYLRPCUYIBLZ-UHFFFAOYSA-N 225.316 3.947 30 50 BHEA in-vitro C=CCSc1nc(C)c2cc(C)c(C)cc2n1 2283817 TWICMTFQSTVSOZ-UHFFFAOYSA-N 244.363 3.833 30 50 BHEA Oc1ccccc1C=Nc1ccc(Cl)cc1 245240257 OZLVEHYXNFJUFS-UHFFFAOYSA-N 231.682 3.796 30 50 BHEA C1CC12CCC13CCC4(CC4)C21[C@@]1(CC3)CO1 45071331 UZLWLGGXCVQIGW-HWOWSKLDSA-N 230.351 3.670 30 50 BHEA N#Cc1cccc(-c2ncccc2C(F)(F)F)c1 67982109 YWASLATWRFYHBT-UHFFFAOYSA-N 248.207 3.639 30 50 BHEA N#Cc1ccc(/C=C/c2ccccc2)cc1 3177492 WQUHPLQCUQJSQW-VOTSOKGWSA-N 205.260 3.729 30 50 BHEA in-vitro C#C[C@@H](O)CCCCCCCCCCC 101010324 XBMBRECRKQFYAT-CQSZACIVSA-N 210.361 3.901 30 50 BHEA in-vitro CC1(C)C=CC(B2OC(C)(C)C(C)(C)O2)=CC1 169746469 CJBWRIUXENKJRO-UHFFFAOYSA-N 234.148 3.530 30 50 BHEA in-vitro N#Cc1cccnc1-c1cc2ccccc2s1 85477007 VIGNUHXNFMSQHS-UHFFFAOYSA-N 236.299 3.835 30 50 BHEA in-vitro Cc1ccc(N/C=C2/CCCCC2=O)cc1C 18068206 GZHHSALSRMPZAJ-RAXLEYEMSA-N 229.323 3.742 30 50 BHEA C=C[C@H](O)C#CC#CC/C=C\CCCCCCC 44005644 UGJAEDFOKNAMQD-MQNTZWLQSA-N 244.378 3.847 30 50 BHEA biogenic,in-vitro Clc1ccccc1[C@@]12CCCCC[C@H]1O2 44125503 FEDMFSBPKMMCMG-OLZOCXBDSA-N 222.715 3.898 30 50 BHEA C(=N/Nc1cccc2cccnc12)\c1ccccc1 3897153 KVBAKISPEJCLJV-LDADJPATSA-N 247.301 3.681 30 50 BHEA C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 4098262 BOPIMTNSYWYZOC-VNHYZAJKSA-N 222.372 3.920 30 50 BHEA biogenic,in-vitro Fc1ccc(/N=C/Nc2ccc(F)cc2)cc1 3086202 PCHZKCUZOPHXSZ-UHFFFAOYSA-N 232.233 3.737 30 50 BHEA Fc1cc(C(F)F)c(F)c(C(F)(F)F)c1 263623828 LBRNOXVYGHVTPL-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA O=C(/C=C/Nc1ccccc1F)c1cccs1 2859027 JXUWWEKQHKACJG-BQYQJAHWSA-N 247.294 3.696 30 50 BHEA Cc1ccc(Sc2ccc(N)cc2C#N)cc1 167361 MPGSZAWAWIUJLX-UHFFFAOYSA-N 240.331 3.600 30 50 BHEA CC(C)CC/N=C(/S)Nc1ccc(F)cc1 4682523 JVQRBKFTSHCKTN-UHFFFAOYSA-N 240.347 3.570 30 50 BHEA Oc1cccc(/C=N/c2ccc(Cl)cc2)c1 571114 SQUINBCHDKWKPM-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA CC(C)[C@H](C#N)c1ccc(Br)cc1 19728925 HVKBRQVNADDWAP-NSHDSACASA-N 238.128 3.712 30 50 BHEA C#C[C@@](C)(O)CCC1=C(C)CCCC1(C)C 2099752 VMTKSTKUXUTCLL-OAHLLOKOSA-N 220.356 3.677 30 50 BHEA CCC/N=C(/S)Nc1ccc(Cl)cc1C 8830274 QQEXZHYCWDELHR-UHFFFAOYSA-N 242.775 3.756 30 50 BHEA C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@H]21 14918132 PLQMEXSCSAIXGB-DOERSZECSA-N 234.339 3.646 30 50 BHEA biogenic C=C/C(O)=N/Cc1ccc(-c2ccccc2F)o1 328597246 GFTSDFDDSIKLCZ-UHFFFAOYSA-N 245.253 3.728 30 50 BHEA N#CC1(c2ccc(Cl)c(Cl)c2)CC1 35904765 SJDZLTHRJVBKJM-UHFFFAOYSA-N 212.079 3.549 30 50 BHEA Cc1cc(C)cc(-c2ccccc2C#N)c1 85476889 LMAKYIBNWIYCSV-UHFFFAOYSA-N 207.276 3.842 30 50 BHEA in-vitro C=C1N(c2ccc(C)cc2)C(=O)O[C@]1(C)CC 51254 XIMPKXDDAQSVCA-CQSZACIVSA-N 231.295 3.634 30 50 BHEA N#Cc1ccc(-c2ccccc2)cc1Cl 1577663 IMWQWLRTJSOMIT-UHFFFAOYSA-N 213.667 3.879 30 50 BHEA in-vitro COc1ccc(C(=O)/C=C/c2cccs2)cc1 4010693 UGTXYTPJTDWEBQ-CMDGGOBGSA-N 244.315 3.653 30 50 BHEA Cc1nc(Cl)c(C#N)c2c1C(C)(C)CCC2 337235 UEOAYTFJURIQRV-UHFFFAOYSA-N 234.730 3.529 30 50 BHEA C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 1081321 WTOYNNBCKUYIKC-JMSVASOKSA-N 218.340 3.904 30 50 BHEA endogenous,in-man N#C[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1 18213531 KJPHABUGXMBVHI-IYBDPMFKSA-N 232.286 3.601 30 50 BHEA COc1ccc(C/N=C/c2ccc(C)cc2)cc1 3091595 ILKBSWJGMDHDAZ-GZTJUZNOSA-N 239.318 3.623 30 50 BHEA C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@@H]12 257513338 PLQMEXSCSAIXGB-AHLTXXRQSA-N 234.339 3.646 30 50 BHEA Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 298169 YKRSQWCMPJDBOD-XNTDXEJSSA-N 240.262 3.654 30 50 BHEA C=CCNc1nc(-c2ccc(C)cc2)cs1 2380913 UTAXBBYINGDCBY-UHFFFAOYSA-N 230.336 3.716 30 50 BHEA in-vitro Cc1ccc(OCCCCCS)cc1C 6707052 RIKSYKSZHGMUMN-UHFFFAOYSA-N 224.369 3.782 30 50 BHEA C=CCCCC[C@](C)(C(=O)OC)c1ccccc1 45074599 FHDPTBWTDDMOBY-INIZCTEOSA-N 246.350 3.864 30 50 BHEA N#Cc1c(F)cccc1Oc1ccc(F)cc1 162076 NOPNZSQHYZPSSX-UHFFFAOYSA-N 231.201 3.629 30 50 BHEA CCCCCCCC[C@@H](CC)C(=O)O 100141402 WJZIPMQUKSTHLV-LLVKDONJSA-N 200.322 3.848 30 50 BHEA N#Cc1c2ccccc2c(C#N)c2ccccc12 2584246 BIOPPFDHKHWJIA-UHFFFAOYSA-N 228.254 3.736 30 50 BHEA in-vitro C=CCCCCCCCC[C@H]1OCCN1CC 71784145 JAVMQJKTKNYVDO-OAHLLOKOSA-N 239.403 3.971 30 50 BHEA Cc1cccc(/C=C/B2OC(C)(C)C(C)(C)O2)c1 169746010 RYYOODZZGKJVFR-MDZDMXLPSA-N 244.143 3.640 30 50 BHEA CC[C@H](C)B1O[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@]2(C)O1 201765815 WHMUSDTWJRKCSL-ROEYZRMQSA-N 236.164 3.515 30 50 BHEA N#Cc1cc2c(C(F)(F)F)cccc2s1 260170534 WWHKANFCQRDJBZ-UHFFFAOYSA-N 227.210 3.792 30 50 BHEA O=C(/C=C\N1CCCCC1)c1ccc(Cl)cc1 5061135 XZLGWUCCMKKEFM-FLIBITNWSA-N 249.741 3.522 30 50 BHEA Cc1cccc(N=Cc2cccc([N+](=O)[O-])c2)c1 254816558 IKEMYBPABLTSIM-UHFFFAOYSA-N 240.262 3.654 30 50 BHEA Cc1cccc(OCCCCCCS)c1 3876697 CAPLEKAOFLZZSP-UHFFFAOYSA-N 224.369 3.864 30 50 BHEA N#Cc1ccc2scc(Br)c2c1 204143119 PYIDWAIALNWEMI-UHFFFAOYSA-N 238.109 3.535 30 50 BHEA in-vitro CCCCCCCOc1ccc(C=O)cc1 2146878 YBCKMIZXHKVONZ-UHFFFAOYSA-N 220.312 3.848 30 50 BHEA in-vitro Cc1ccc(Oc2ccc(C#N)cc2)cc1 5541816 ISMMAUUEMOWLIC-UHFFFAOYSA-N 209.248 3.659 30 50 BHEA in-vitro C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@]2(O)C1=CCCC1 257356185 GPXKYPSSEWHTSX-NUEKZKHPSA-N 232.367 3.840 30 50 BHEA CC(C)(C)c1ccc([C@@H]2CC(=O)C=C(O)C2)cc1 100781842 WGQLBGFSAKUQFP-LBPRGKRZSA-N 244.334 3.873 30 50 BHEA N#Cc1cccnc1Sc1ccc(Cl)cc1 168905 LQAGWDVUYVFWDO-UHFFFAOYSA-N 246.722 3.758 30 50 BHEA C=CCOc1ccc(Cl)cc1Cl 1577273 PGFLETJYXQVZSD-UHFFFAOYSA-N 203.068 3.558 30 50 BHEA in-vitro COc1ccc(C(=O)/C=C/c2ccccc2)cc1 4175546 KJHHAPASNNVTSN-KPKJPENVSA-N 238.286 3.591 30 50 BHEA endogenous,in-man CC1(C)C[C@@](CC#N)(Cc2ccccc2)CCO1 245486 WYWKEYZLXBPMSU-MRXNPFEDSA-N 243.350 3.718 30 50 BHEA CCCCCCCCCCOC(=O)CC#N 1696093 FEPOSCQQECTWHH-UHFFFAOYSA-N 225.332 3.584 30 50 BHEA C[C@@H]1CCCC/C1=C/B1OC(C)(C)C(C)(C)O1 306877322 CFKHBGIWGPUIHM-JPQYHBGPSA-N 236.164 3.754 30 50 BHEA C=C[C@@](C)(CCC=C(C)C)OC(=O)CC 1677809 WAQIIHCCEMGYKP-ZDUSSCGKSA-N 210.317 3.631 30 50 BHEA endogenous,in-man COc1ccc(/C=N/c2ccc(C)cc2)cc1 17889473 BSINSMVDCTUMHQ-LFIBNONCSA-N 225.291 3.754 30 50 BHEA biogenic CCOc1ccc(C#Cc2ccc(C)cc2)cc1 970971 DURDZFYGFXPFAV-UHFFFAOYSA-N 236.314 3.794 30 50 BHEA N#Cc1c(-n2cccc2)sc2c1CCCCC2 4742274 BPFUZHFWEMTFCU-UHFFFAOYSA-N 242.347 3.679 30 50 BHEA Cc1c(Cl)cccc1NC1=CC(=O)CCC1 462900 VMWSQKYLZIZIKQ-UHFFFAOYSA-N 235.714 3.697 30 50 BHEA CCCc1ncc(N=C(O)/C=C/C(C)(C)C)cn1 328589281 NBRPQOHUPSHHDM-BQYQJAHWSA-N 247.342 3.619 30 50 BHEA CC1(C)OB(C2=CCCCCC2)OC1(C)C 169746644 XCKJXFSLFZYWSB-UHFFFAOYSA-N 222.137 3.508 30 50 BHEA in-vitro CC1(C)OB(C2=CCC3(CC2)CC3)OC1(C)C 196909960 KPZIKZBFRLOIDN-UHFFFAOYSA-N 234.148 3.508 30 50 BHEA N#Cc1cccc(-c2cnc3cc(F)ccc3c2)c1 2100473644 RHDWKZXGFZYHHJ-UHFFFAOYSA-N 248.260 3.913 30 50 BHEA N#Cc1ccc(/N=C/c2ccccc2Cl)cc1 2163452 LUTCSCDTGRNEDZ-LICLKQGHSA-N 240.693 3.962 30 50 BHEA CC1(C)OB(C=C2CCCCCC2)OC1(C)C 306871515 XMKRHPCPRDHJMQ-UHFFFAOYSA-N 236.164 3.898 30 50 BHEA CC(=C\c1ccc(Cl)cc1)/C(C)=N/O 4368039 MHTJEUOFLVQMCL-NJHPPEEMSA-N 209.676 3.593 30 50 BHEA in-vivo C=C(C)CC[C@@H](C)N[C@@H](C)CCCC(C)(C)O 19609058 GAKNXTASSVLWLO-UONOGXRCSA-N 241.419 3.651 30 50 BHEA CC1(C)C[C@H]2C[C@H]1[C@H]1C(=O)C([Si](C)(C)C)=C[C@H]12 169831503 LAZMOGHCNMIIRV-BLFANLJRSA-N 248.442 3.671 30 50 BHEA C=CCOC(=O)Nc1c(Cl)cccc1Cl 3122485 GNMIFRFWCNMCGP-UHFFFAOYSA-N 246.093 3.728 30 50 BHEA C=C1CCC[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 15207335 ZTVSGQPHMUYCRS-WFASDCNBSA-N 230.307 3.510 30 50 BHEA biogenic,in-vitro Cc1cc(C)c(C)c(OCCCCS)c1 3876718 ZIYBBXBLUHXJRI-UHFFFAOYSA-N 224.369 3.701 30 50 BHEA N#CC12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13 101003108 JZJQJLVJVGTBFE-YZUHTNEWSA-N 229.282 3.536 30 50 BHEA CCCCCSc1cc(C)ncc1C#N 399718201 HJABFYWTZPTQRH-UHFFFAOYSA-N 220.341 3.544 30 50 BHEA C=CC(=O)OCCCCCCCCCC 1687320 FWLDHHJLVGRRHD-UHFFFAOYSA-N 212.333 3.856 30 50 BHEA Cc1cc(C)c2nc(SCC#N)cc(C)c2c1 3552498 WKWBIOUINKNRFZ-UHFFFAOYSA-N 242.347 3.776 30 50 BHEA CCCCCCCCCN(CC)CCN(C)C 101366878 WDEIQJREMQHKSX-UHFFFAOYSA-N 242.451 3.621 30 50 BHEA N#CCC(=O)c1sc2ccccc2c1Cl 43573944 ZTVUNISTDYZSJR-UHFFFAOYSA-N 235.695 3.651 30 50 BHEA CCCCCCCCOC(=O)C(C)C 1697402 PQCYCHFQWMNQRJ-UHFFFAOYSA-N 200.322 3.546 30 50 BHEA endogenous,in-man CCCCCCCCCC[C@@H]1COC(=O)N1 100024660 IUWVYVOQTFVXKL-GFCCVEGCSA-N 227.348 3.626 30 50 BHEA in-vitro Cc1c(/C(CC(C)C)=N/O)c2ccccc2n1C 3998714 KGGBBKLCVHLCDS-DTQAZKPQSA-N 244.338 3.711 30 50 BHEA COc1ccc([C@H](CC#N)c2ccccc2)cc1 616654 BEUQLDWAMFIMQY-MRXNPFEDSA-N 237.302 3.741 30 50 BHEA C=CCCCCCCCCOC(=O)C=C 34528573 WDGPKCJWRJSYLS-UHFFFAOYSA-N 210.317 3.632 30 50 BHEA COc1cccc(-c2ccc(C#N)c(Cl)c2)c1 85472196 CNKQCKNKFXLWGL-UHFFFAOYSA-N 243.693 3.887 30 50 BHEA in-vitro CC(C)(CC#C[Si](C)(C)C)C1=CC(=O)CC1 169828626 QBSHRCVAROFBBP-UHFFFAOYSA-N 234.415 3.573 30 50 BHEA C[C@@H](C#N)c1cccc(C(=O)c2ccccc2)c1 4528630 RGYOCHMZSLUCNP-LBPRGKRZSA-N 235.286 3.545 30 50 BHEA in-vitro CC(C)(C)c1cc(Br)ccc1C#N 144229603 RFPUYUKQNAQOFM-UHFFFAOYSA-N 238.128 3.618 30 50 BHEA CCc1ccc(C(=O)/C=C/c2ccccn2)cc1 3996450 VLCADSNMHVELDP-ZHACJKMWSA-N 237.302 3.540 30 50 BHEA Oc1ccc(/C=N/c2cccc(Cl)c2)cc1 2143582 GSOSBTHBURQGAR-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA Cc1cccc(Oc2ccc(C#N)c(C#N)c2)c1C 51020 ZJKMVZYMUQBIFB-UHFFFAOYSA-N 248.285 3.839 30 50 BHEA CCC(=O)/C=C/[C@H]1C(C)=CCCC1(C)C 100047769 VPKMGDRERYMTJX-XEHSLEBBSA-N 206.329 3.904 30 50 BHEA endogenous,in-man C=CCn1c(Cc2ccccc2)nc2ccccc21 239720 UJBUPEPHKJLUEM-UHFFFAOYSA-N 248.329 3.813 30 50 BHEA N#Cc1c(C(F)(F)F)cccc1C(F)(F)F 4329249 ANWBHDYEEOSTSE-UHFFFAOYSA-N 239.118 3.596 30 50 BHEA C=CCOc1ccc(NC(=O)OC(C)(C)C)cc1 8557041 XMCKZCIGDLMJAS-UHFFFAOYSA-N 249.310 3.598 30 50 BHEA [N-]=[N+]=Nc1ccc(OC(F)(F)F)cc1 71773495 VECUNMGIOMEKNV-UHFFFAOYSA-N 203.123 3.527 30 50 BHEA CCC[P+]1(c2ccccc2)CCCC1 71775202 KSLTXQDZKYMIKJ-UHFFFAOYSA-N 207.277 3.533 30 50 BHEA N#Cc1cn(Cc2ccccc2)c2ccccc12 209757 DMYNZVMECAXLQU-UHFFFAOYSA-N 232.286 3.561 30 50 BHEA Cc1cccc(/C=C/C(=O)c2ccccc2)c1 4582482 VQLMDARIPJTTAH-ZHACJKMWSA-N 222.287 3.891 30 50 BHEA in-vitro CC1=C(B2OC(C)(C)C(C)(C)O2)CCCC1 170026601 NZTDAXQXIPAWPC-UHFFFAOYSA-N 222.137 3.508 30 50 BHEA in-vitro C=C(C)Cn1c(-c2ccco2)nc2ccccc21 203378 IKQZFIHSWZGFFM-UHFFFAOYSA-N 238.290 3.872 30 50 BHEA Cc1ccc([C@@H](C#N)c2ccccc2)cc1 1608618 UQHKVXGCTXUYFU-HNNXBMFYSA-N 207.276 3.651 30 50 BHEA C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 6030836 UGVIZCBJCSXBCJ-JWFUOXDNSA-N 218.340 3.594 30 50 BHEA biogenic,in-vitro C/C(=C\C(=O)c1ccccc1)c1ccccc1 6129941 PLELHVCQAULGBH-OUKQBFOZSA-N 222.287 3.973 30 50 BHEA in-vitro Cc1ccc(C)c(/N=C/c2ccc([N+](=O)[O-])o2)c1 261143 ZHYLXXGUHWSCGX-RIYZIHGNSA-N 244.250 3.555 30 50 BHEA N#Cc1cc(C2CCCCC2)cc(Cl)c1O 155507 IJKCQPMFLPRPNN-UHFFFAOYSA-N 235.714 3.965 30 50 BHEA O=C(O)CCCCCCCCCCS 2164257 GWOLZNVIRIHJHB-UHFFFAOYSA-N 218.362 3.512 30 50 BHEA in-vivo CC1(C)OB([C@H]2CC23CCCCC3)OC1(C)C 725349864 GJVGDVDCUQCDOY-NSHDSACASA-N 236.164 3.803 30 50 BHEA Cc1nc(CSc2cccc(C#N)c2)cs1 336316994 UVJJQCAFDVANHY-UHFFFAOYSA-N 246.360 3.616 30 50 BHEA Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1 433200 QNBYXBOWHMRRAX-OQLLNIDSSA-N 231.682 3.796 30 50 BHEA N#CCCn1c2ccccc2c2ccccc21 1555498 YAGSRHMFASEGPG-UHFFFAOYSA-N 220.275 3.708 30 50 BHEA C/N=C(/S)Nc1ccccc1-c1ccccc1 8684803 WBFLICIRVKOUBL-UHFFFAOYSA-N 242.347 3.681 30 50 BHEA N#C[C@@H](c1ccccc1)[C@@H](C#N)c1ccccc1 110991 KJPHABUGXMBVHI-HOTGVXAUSA-N 232.286 3.601 30 50 BHEA biogenic C=CCN(CC=C)C(=O)Nc1cccc(C)c1C 396750 YYVDSXHUOXOQQT-UHFFFAOYSA-N 244.338 3.509 30 50 BHEA CC(=N/N=C(/C)c1ccccc1)c1ccccc1 1501044569 MOKMQSIJAHPSQX-LAKJNZHXSA-N 236.318 3.920 30 50 BHEA Cc1oc2cc3c(C#N)c(C)oc3cc2c1C#N 4019994 UVXZUUGRAGXFRV-UHFFFAOYSA-N 236.230 3.539 30 50 BHEA C=CCOc1ccc(CNC2CCCCC2)cc1 6312981 BKDIVUXJOHGIHF-UHFFFAOYSA-N 245.366 3.674 30 50 BHEA Fc1ccc(/N=C(/Cl)C(F)(F)F)cc1 261494190 RQMRLWLPPFJICW-VGOFMYFVSA-N 225.572 3.657 30 50 BHEA N#Cc1ccccc1SCc1ccccc1 163471 LCVQODRQKCOTDJ-UHFFFAOYSA-N 225.316 3.851 30 50 BHEA Fc1cc(C(F)(F)F)c(F)cc1C(F)F 263623128 DWAKAUVGODLDMD-UHFFFAOYSA-N 232.098 3.921 30 50 BHEA CC(C)[C@@](C)(C#N)Nc1ccc(Cl)cc1 163182 SIVMWLCPFNVNHN-GFCCVEGCSA-N 222.719 3.690 30 50 BHEA C=C1C=C[C@H](C(C)C)CCC(=C)[C@H](O)CC1 256351921 OSSWBZXPRYZGRO-LSDHHAIUSA-N 220.356 3.862 30 50 BHEA biogenic,in-vitro C=C(C)COc1ccc(NC(=O)C(C)(C)C)cc1 9813216 KATXQNXAYYJQQT-UHFFFAOYSA-N 247.338 3.626 30 50 BHEA CCCCCCCOc1ccc(O)cc1 2019847 HZBABTUFXQLADL-UHFFFAOYSA-N 208.301 3.741 30 50 BHEA biogenic,in-vitro C=CC[C@@]1(O)CCCC[C@@H]1c1ccccc1 43762877 ZAXNZGYWNMVGKV-HUUCEWRRSA-N 216.324 3.651 30 50 BHEA CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)C3(C)C 59586333 GIGKXOAUYMWORB-OSQNNJELSA-N 218.340 3.738 30 50 BHEA biogenic,in-vitro O=C(/C=C/C=C(Cl)Cl)c1ccccc1 40228 SLTBUNVXRDNVFA-QPJJXVBHSA-N 227.090 3.745 30 50 BHEA N#Cc1cc(-c2ccc(O)cc2)ccc1Cl 65340053 PKQRGNDFSFBAKO-UHFFFAOYSA-N 229.666 3.584 30 50 BHEA in-vitro N#Cc1cc(-c2cccc(Cl)c2)cnc1Cl 169666 HNQIKWUGARDOPP-UHFFFAOYSA-N 249.100 3.927 30 50 BHEA CCCCS/C=C1/CCC[C@H](C)C1=O 25625357 YKZJRIVWLPCINR-RGAIUGGKSA-N 212.358 3.793 30 50 BHEA CC1(C)OB([C@@H]2CC23CCCCC3)OC1(C)C 725349861 GJVGDVDCUQCDOY-LLVKDONJSA-N 236.164 3.803 30 50 BHEA N#C[C@H](c1ccccc1)c1ccc(Cl)cc1 4826142 OZTNTRFNRLHMKC-CQSZACIVSA-N 227.694 3.995 30 50 BHEA in-vitro C=C1c2ccccc2C(=C)[C@]23O[C@@]12[C@H]1C=C[C@H]3CC1 101047580 OHICDALCCAJYJS-LBTBCDHLSA-N 248.325 3.830 30 50 BHEA COc1ccc(/C=N/c2ccc(F)cc2)cc1 96460 ZICFPEHQRZAFBZ-MHWRWJLKSA-N 229.254 3.585 30 50 BHEA Cc1ccc([C@@H](C#N)c2ccccc2)c(C)c1 95221328 MUZOOZSDJFIEBR-INIZCTEOSA-N 221.303 3.959 30 50 BHEA N#Cc1ccc(-c2ccc(F)c(Cl)c2)o1 4487721 LPIZLEQWSVEAQD-UHFFFAOYSA-N 221.618 3.611 30 50 BHEA C[C@@H]1CCC[C@@H](C)N1CCCCCCC#N 44125930 BKUYXTAQDRRERJ-ZIAGYGMSSA-N 222.376 3.723 30 50 BHEA