smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCc1ccc2c(c1)OCO2 2050 ZMQAAUBTXCXRIC-UHFFFAOYSA-N 162.188 2.144 30 50 AEEA endogenous,in-man C#Cc1ccc(C#N)cc1Cl 117151313 XQYSIRVQKGAIAM-UHFFFAOYSA-N 161.591 2.193 30 50 AEEA Cc1cc(NC2=CC(=O)CCC2)no1 40488491 RAJYEVUWOYRVOS-UHFFFAOYSA-N 192.218 2.032 30 50 AEEA CC1=C[C@H](C)[C@@H](C=O)[C@H](C)C1 2296013 YJSUCBQWLKRPDL-IVZWLZJFSA-N 152.237 2.424 30 50 AEEA endogenous,in-man COc1ccc(OCCCS)cc1 3876686 YZMABRGGUDTGLF-UHFFFAOYSA-N 198.287 2.394 30 50 AEEA CC(=O)/C=C/c1[nH]cc(C)c1C 2519579 HIHPMIAJBOHMFJ-SNAWJCMRSA-N 163.220 2.234 30 50 AEEA N#CCC(=O)C1CCCCC1 26515443 SFILZUIMJFKTHM-UHFFFAOYSA-N 151.209 2.049 30 50 AEEA in-vitro C[C@H]1C[C@@H]1CCCC=O 1535688083 KRWXYIFAXTZWPZ-YUMQZZPRSA-N 126.199 2.012 30 50 AEEA C=CCOC(=O)Nc1ccccc1 1653068 MBCXUBLHAFVAFS-UHFFFAOYSA-N 177.203 2.421 30 50 AEEA COC(=O)c1ccc(N=[N+]=[N-])cc1 31430130 RULRGDSQDQHZOK-UHFFFAOYSA-N 177.163 2.415 30 50 AEEA in-vitro CC[C@@]1(c2ccccc2)O[C@@H]1C#N 306391225 FLKSNPFRAYEFPT-MNOVXSKESA-N 173.215 2.214 30 50 AEEA N#Cc1c(N)sc2c1CCCCC2 3865160 GBQACFCEZPKMTA-UHFFFAOYSA-N 192.287 2.471 30 50 AEEA in-vitro O=CCCCOCc1ccccc1 1646215 QTISZPXYPZNBQB-UHFFFAOYSA-N 178.231 2.182 30 50 AEEA in-vitro N#CCC(=O)c1ccccc1Cl 2510117 SBSWHTFHLWSSQS-UHFFFAOYSA-N 179.606 2.436 30 50 AEEA in-vitro C=C1CCC[C@H]1C[N+](C)(C)C 3122366 MNJCUSJFXGCVSG-JTQLQIEISA-N 154.277 2.049 30 50 AEEA CC(C)=NOc1cccc(F)c1C#N 35287413 FKDLRRQLLJRSPL-UHFFFAOYSA-N 192.193 2.472 30 50 AEEA C=CC/C=C/C 1601383 PRBHEGAFLDMLAL-GQCTYLIASA-N 82.146 2.139 30 50 AEEA CC(C)(C#N)c1ccc(O)cc1 34291355 XCPSAEFOSSDVFC-UHFFFAOYSA-N 161.204 2.193 30 50 AEEA in-vitro COC(=O)c1cccc(N=[N+]=[N-])c1 71773530 BSQWYELDCUXPSJ-UHFFFAOYSA-N 177.163 2.415 30 50 AEEA N#Cc1ccc2c(c1)[C@@H]1C[C@@H]3[C@@H]2[C@]13C#N 216425274 DOUYHVRLJRNOMQ-UMSGYPCISA-N 192.221 2.283 30 50 AEEA C#C[C@@](C)(O)CCCCCC 2042600 VQUXVWMAXIQKTQ-SNVBAGLBSA-N 154.253 2.341 30 50 AEEA C#CCCCCNC(=O)OC(C)(C)C 36466968 QUIDQZORWGPNKV-UHFFFAOYSA-N 197.278 2.315 30 50 AEEA in-vitro C=C1CC[C@@H]2C(C)(C)[C@@]12C(=O)OC 101051979 CEBKSMSGMSVUKQ-KCJUWKMLSA-N 180.247 2.152 30 50 AEEA Cc1ccccc1-c1noc(CC#N)n1 3346468 IVZIPKXZASMDLS-UHFFFAOYSA-N 199.213 2.111 30 50 AEEA in-vitro CCCCCC#CC(=O)OCC 1621003 QPMDWYXUSMRVKT-UHFFFAOYSA-N 168.236 2.133 30 50 AEEA O=C1C=CC2(CCCC2)C1 196275153 ZZOFYRXWBRWEFJ-UHFFFAOYSA-N 136.194 2.076 30 50 AEEA C#Cc1ccc(C(=O)O)cc1Cl 307190538 ZQRDNRXPYNBFQB-UHFFFAOYSA-N 180.590 2.020 30 50 AEEA CSc1ccccc1CC#N 33487034 CJJOYLKIRJBKNO-UHFFFAOYSA-N 163.245 2.475 30 50 AEEA N#C[C@]12C[C@@H]3c4ccccc4[C@@H]1[C@@H]32 216455382 GORJTZLAMQKEAM-DDHJBXDOSA-N 167.211 2.411 30 50 AEEA C=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1 967814 KRCZYMFUWVJCLI-OPRDCNLKSA-N 154.253 2.360 30 50 AEEA endogenous,in-man N#Cc1ccc(Cl)cc1 157255 GJNGXPDXRVXSEH-UHFFFAOYSA-N 137.569 2.212 30 50 AEEA in-vitro N#Cc1cccc2ncccc12 2584626 CKKBFRWSTPFAHR-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C=C(C)[C@H]1C=C[C@@](C)(O)CC1 5158345 MKPMHJQMNACGDI-VHSXEESVSA-N 152.237 2.280 30 50 AEEA endogenous,in-man CC(=O)/C=C/c1ccccc1 19230125 BWHOZHOGCMHOBV-BQYQJAHWSA-N 146.189 2.289 30 50 AEEA endogenous,in-man CCC(=O)C1=CCCC1 39270078 JFLUEFBLFMYJOE-UHFFFAOYSA-N 124.183 2.076 30 50 AEEA CC(C)[C@H]1C=CC(=O)[C@@H](C)C1 32135340 LQKVFPXPTBYWLF-IUCAKERBSA-N 152.237 2.424 30 50 AEEA C=C(C)CC(OCC)OCC 37628586 QIACXWLIFNNZDL-UHFFFAOYSA-N 158.241 2.352 30 50 AEEA CCOC(=O)c1sc(C#N)cc1C 146241040 HFXQOKWUVZAUKT-UHFFFAOYSA-N 195.243 2.105 30 50 AEEA CC(C)(C)C1=CC(=O)CC1 34284049 FCQMPDWPOPCFOS-UHFFFAOYSA-N 138.210 2.322 30 50 AEEA CC(C)COc1cc(O)ccc1C#N 261494426 XJCLJFCBXTZUCM-UHFFFAOYSA-N 191.230 2.299 30 50 AEEA O/N=C(\c1ccccc1)c1ccc[nH]1 307278137 SZZLDNXWTQUQHG-ACCUITESSA-N 186.214 2.241 30 50 AEEA C[C@@H]1C(=O)CCC(C)(C)[C@H]1CC=O 43762687 TYHPGCJOWYGLET-IUCAKERBSA-N 182.263 2.217 30 50 AEEA COC1=CC(=O)[C@@]2(C)CC=CC[C@@H]2C1 398898 KXJPPFUIQYIVBL-SKDRFNHKSA-N 192.258 2.462 30 50 AEEA C=CCCO[C@@H]1CCCCO1 1559126 BZZVUZRTCAMISL-VIFPVBQESA-N 156.225 2.106 30 50 AEEA C=C(C)COc1ccccc1C(=O)O 8723231 BCBHNECCHZKIKM-UHFFFAOYSA-N 192.214 2.340 30 50 AEEA in-vitro COc1ccc(/C(Cl)=N/O)cc1 100007720 RWYJLUIRTJBSDS-NTMALXAHSA-N 185.610 2.070 30 50 AEEA in-vitro CC(F)(F)C1(C=O)CCC1 213652353 AYHIYCVPXQJKTD-UHFFFAOYSA-N 148.152 2.011 30 50 AEEA N#Cc1cccnc1OC1CCCC1 19508123 ZPMXJSCANAEKAT-UHFFFAOYSA-N 188.230 2.275 30 50 AEEA Cc1ccc(-c2ccn[nH]2)cc1C#N 224777053 GPQOAHMYFBRGRV-UHFFFAOYSA-N 183.214 2.257 30 50 AEEA C=C(C)C(=O)OCc1ccccc1 1577283 AOJOEFVRHOZDFN-UHFFFAOYSA-N 176.215 2.306 30 50 AEEA in-vitro CC1CCC(=NO)CC1 3886757 XQARYSVUDNOHMA-UHFFFAOYSA-N 127.187 2.027 30 50 AEEA in-vitro C=C[C@H](C)S(=O)(=O)c1ccccc1 39241917 NQSMHCACYCRLNI-VIFPVBQESA-N 196.271 2.035 30 50 AEEA N#Cc1ccc(Cl)c(C=O)c1 15022230 JVRHVSUFKIQVFN-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro C#Cc1ccc(Cl)cc1C=O 205834351 YMVRAAKGJMCDHK-UHFFFAOYSA-N 164.591 2.134 30 50 AEEA C=CCC(C)(C)C#N 1653893 UQLOUBYNTMVSKF-UHFFFAOYSA-N 109.172 2.112 30 50 AEEA in-vitro N#Cc1cccc(Cl)c1F 2584277 CHKLNKWJIDQKFV-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro C#Cc1ccccc1Cl 2562355 DGLHLIWXYSGYBI-UHFFFAOYSA-N 136.581 2.321 30 50 AEEA in-vitro CCC[C@@H](C)S 5298826 QUSTYFNPKBDELJ-RXMQYKEDSA-N 104.218 2.105 30 50 AEEA endogenous,in-man Cc1cc(C)c2occ(C#N)c(=O)c2c1 1081181 CHVJARAANPAZMS-UHFFFAOYSA-N 199.209 2.282 30 50 AEEA CCCCCCCCC(N)=O 1686933 GHLZUHZBBNDWHW-UHFFFAOYSA-N 157.257 2.222 30 50 AEEA in-vitro C=C1C[C@@H]1[C@H](O)c1ccccc1 2519680 AUHOYCNONPXIAR-WDEREUQCSA-N 160.216 2.296 30 50 AEEA OCC#Cc1cccc2ccccc12 37470404 FARRJNMECLDKPD-UHFFFAOYSA-N 182.222 2.184 30 50 AEEA N#Cc1cc2nccc(Cl)c2o1 38973466 QTOYTILPUAPWCN-UHFFFAOYSA-N 178.578 2.353 30 50 AEEA in-vitro Cc1ccc(C#N)c(C)c1[N+](=O)[O-] 39291418 LCZSWXDYLOPJRO-UHFFFAOYSA-N 176.175 2.083 30 50 AEEA C=CCN1C=CC=C/C1=C\N=O 136238340 QCIBHTJSNLWOJP-CMDGGOBGSA-N 162.192 2.166 30 50 AEEA C=C[C@@H](C)C[C@@H](C)/C=C/CO 43763353 ZZSHUIVMMUMNFT-ROSGPLSXSA-N 154.253 2.383 30 50 AEEA N#Cc1cccc([N+](=O)[O-])c1Cl 72194468 AGZYMTWFJLEBIJ-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro O=C[C@@H]1CCCC2(CC2)C1 575512550 QMOUYRJZOFWHLQ-MRVPVSSYSA-N 138.210 2.156 30 50 AEEA Cc1cc(C)cc(OCC#N)c1 11834363 REUBFWALXGPULL-UHFFFAOYSA-N 161.204 2.206 30 50 AEEA CC(=O)[C@@H](C#N)c1cccc(F)c1 36931207 KAVLAUXPWNENII-SNVBAGLBSA-N 177.178 2.022 30 50 AEEA in-vitro N#CCc1ccnc(C(F)(F)F)c1 238566686 RCHDCXSMUCPNMT-UHFFFAOYSA-N 186.136 2.166 30 50 AEEA C[C@H](C#N)[C@](C)(O)c1ccccc1 294689 JFCXWLWDDNDPIN-KOLCDFICSA-N 175.231 2.054 30 50 AEEA N#Cc1ncccc1-c1ccccc1O 95495519 LQGRMKVZUUBOKD-UHFFFAOYSA-N 196.209 2.326 30 50 AEEA N#Cc1snc(Cl)c1Cl 15443044 YPWIGSYXDIIQNP-UHFFFAOYSA-N 179.031 2.322 30 50 AEEA in-vitro C=CCc1nc(Cc2ccccc2)n[nH]1 65422988 KFEWDFUPEYYDEF-UHFFFAOYSA-N 199.257 2.124 30 50 AEEA NCCCCCCCCS 39310792 BWUPKMHSAHUZGN-UHFFFAOYSA-N 161.314 2.216 30 50 AEEA N#Cc1sccc1Br 108590 RNIRKEQGYHHNSE-UHFFFAOYSA-N 188.049 2.382 30 50 AEEA in-vitro C=CCc1cccc(OC)c1O 395516 LREHGXOCZVBABG-UHFFFAOYSA-N 164.204 2.129 30 50 AEEA C=C1CCC[C@@H](C)[C@@H]1CCO 3070126 ZINDPOBVQRKRCZ-NXEZZACHSA-N 154.253 2.361 30 50 AEEA C/N=C(/OC)[C@H]1C[C@@H]1c1ccccc1 43761979 QJLJNPAUMZDPDX-DDAMBWEPSA-N 189.258 2.465 30 50 AEEA CC(=O)c1ccc(Cl)cc1C#N 146987388 ZZOFPTNNZFMALU-UHFFFAOYSA-N 179.606 2.414 30 50 AEEA N#Cc1cc2c([nH]c1=S)CCCC2 2025631 IAUSXQDCCZQHQE-UHFFFAOYSA-N 190.271 2.495 30 50 AEEA in-vitro O/N=C\c1cccc(Cl)c1 8637842 PEGODJOFVRYPMO-UITAMQMPSA-N 155.584 2.148 30 50 AEEA N#Cc1ccccc1N1CCCC1 12370294 YUKHVYSSBBOQJW-UHFFFAOYSA-N 172.231 2.158 30 50 AEEA in-vitro N#Cc1cc(C=O)cc(C(F)(F)F)c1 95764438 MSXKEYLXULZEBC-UHFFFAOYSA-N 199.131 2.390 30 50 AEEA C#Cc1ccc(OC)c(OC(C)C)c1 135885232 LGGYXIRAWXYVKN-UHFFFAOYSA-N 190.242 2.464 30 50 AEEA CC(C)CCON=Cc1ccncc1 254287830 CRGKERCSBLXMPN-UHFFFAOYSA-N 192.262 2.478 30 50 AEEA N#Cc1ccc(-c2ccco2)nc1 12370510 MLVPTQAKBGAZLS-UHFFFAOYSA-N 170.171 2.213 30 50 AEEA in-vitro N#Cc1cccc(-c2ccccn2)n1 35653994 QLZHLNAALBJVOE-UHFFFAOYSA-N 181.198 2.015 30 50 AEEA in-vitro Cc1nc2c(o1)CCC[C@@H]2CC#N 261225001 PLQUEAJMHWMBTG-MRVPVSSYSA-N 176.219 2.317 30 50 AEEA Cc1ccc([C@]2(C)O[C@H]2C#N)cc1C 307375821 ZRHSHJOTBXLXQD-RYUDHWBXSA-N 187.242 2.441 30 50 AEEA N#Cc1cc(NC2CC2)ncc1Cl 1535641955 UBYFDTJQFRRNSC-UHFFFAOYSA-N 193.637 2.181 30 50 AEEA CC(=O)/C=C/c1cccs1 154635 CIMALVIHZVKKPE-SNAWJCMRSA-N 152.218 2.350 30 50 AEEA in-vitro N#Cc1cccc(OC(F)(F)F)c1 164867 DCZAPXGEZYVQNX-UHFFFAOYSA-N 187.120 2.457 30 50 AEEA in-vitro C=CCON(C)c1ccccc1 1697517 FYEZCGHRDYHDQI-UHFFFAOYSA-N 163.220 2.240 30 50 AEEA CC(C)(C)C1CC(C=O)C1 215792439 UXRISOWAQODXNN-UHFFFAOYSA-N 140.226 2.258 30 50 AEEA O=CC1CCC(OC(F)(F)F)CC1 953106060 HUHCJQJEYRNQTH-UHFFFAOYSA-N 196.168 2.281 30 50 AEEA C#C[C@@H](O)[C@@H](CC)CCCC 1691015 CUUQUEAUUPYEKK-VHSXEESVSA-N 154.253 2.197 30 50 AEEA Cc1cc(C[C@@H]2CO2)ccc1F 148368558 GODATNLOVBIVNU-SECBINFHSA-N 166.195 2.075 30 50 AEEA Cc1cc(C)c(C=NO)c(C)c1 245339161 QYZKLTLEVQDKFJ-UHFFFAOYSA-N 163.220 2.420 30 50 AEEA C[C@]12CCCC1=CC(=O)C2 71785874 VMPPVSQJDLMPCW-SECBINFHSA-N 136.194 2.076 30 50 AEEA CO/N=C(\C)c1ccc(F)cc1 201671554 SYOZHOFHKMIDHY-YRNVUSSQSA-N 167.183 2.196 30 50 AEEA in-vitro ON=Cc1ccc(Cl)cc1 245339094 QKWBTCRVPQHOMT-UHFFFAOYSA-N 155.584 2.148 30 50 AEEA C[C@@]12CCC(=O)C=C1CCCC2=O 155441 DNHDRUMZDHWHKG-LLVKDONJSA-N 178.231 2.035 30 50 AEEA biogenic,in-vitro Cn1cc(CC#N)c2ccccc21 21299528 DHAXZZYQEUESTH-UHFFFAOYSA-N 170.215 2.244 30 50 AEEA in-vitro C[C@@H]1CCC[C@H](S)C1 26515309 PWHHTYJQSMSOEC-RQJHMYQMSA-N 130.256 2.495 30 50 AEEA endogenous,in-man O=C1/C=C\C=C/CCCC1 44143757 VOXYQOFCAFFDGD-RMKIQZFVSA-N 136.194 2.242 30 50 AEEA C=C(C)[C@H](O)CCCC 2164162 PPKIOOAEILEYAF-MRVPVSSYSA-N 128.215 2.114 30 50 AEEA Cc1cc(F)cc(F)c1CC#N 263624990 VUWGECMLQMDHIP-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA CC(C)=Nc1n[nH]c2c1CCCC2 616567926 HWUQDCNZQROSCT-UHFFFAOYSA-N 177.251 2.401 30 50 AEEA C#Cc1ccc(C(=O)O)c(Cl)c1 1083816795 RUAVYSBZAHLZNH-UHFFFAOYSA-N 180.590 2.020 30 50 AEEA C#C[C@@](C)(O)CCC=C(C)C 1849681 YWTIDNZYLFTNQQ-SNVBAGLBSA-N 152.237 2.117 30 50 AEEA endogenous,in-man N#CC[C@@H]1CCc2ccccc2C1=O 4829676 PAANBDAGTCQLRZ-JTQLQIEISA-N 185.226 2.345 30 50 AEEA CS/C(=N\C#N)N[C@@H](C)C(C)(C)C 6408798 CBEKDJRSIZNOPX-ZETCQYMHSA-N 199.323 2.211 30 50 AEEA C1C[C@]23C[C@H]4O[C@H]4C[C@@]2(C1)C3 71785578 COPAILKXPZGGGY-YNFQOJQRSA-N 150.221 2.108 30 50 AEEA Cc1cc(N=[N+]=[N-])ncc1C(=O)O 685960131 ZZCBNLPKVPDWNS-UHFFFAOYSA-N 178.151 2.030 30 50 AEEA C/C(=N/O)c1ccc(C)s1 12416839 PSNLEFAJCBPCPQ-VURMDHGXSA-N 155.222 2.255 30 50 AEEA N#C[C@@H]1O[C@@]12CCCc1ccccc12 148609701 DBMVWSSEIFXVGH-NWDGAFQWSA-N 185.226 2.141 30 50 AEEA [N-]=[N+]=Nc1ccc(CN)cc1 196935770 CUXOCZPLRPRXNU-UHFFFAOYSA-N 148.169 2.087 30 50 AEEA in-vitro N#Cc1ccc(OC2CC2)cc1 95709772 WGUNOZWJGPFQEJ-UHFFFAOYSA-N 159.188 2.099 30 50 AEEA in-vitro N#CCCC(=O)c1ccccc1 1555580 OSPRTYTUQJCKFF-UHFFFAOYSA-N 159.188 2.173 30 50 AEEA in-vitro C=CCc1cccc(C)c1O 1690121 WREVCRYZAWNLRZ-UHFFFAOYSA-N 148.205 2.429 30 50 AEEA in-vivo N#Cc1cc2ccccc2cn1 389601 GXXBVBVNGMCFIU-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA CC1=C[C@@H](C)[C@H](C=O)CC1 4524379 MZZRKEIUNOYYDF-BDAKNGLRSA-N 138.210 2.178 30 50 AEEA C=CCSCCC 1644622 JMLIYQJQKZYHDQ-UHFFFAOYSA-N 116.229 2.316 30 50 AEEA in-vitro Cn1cc(Oc2ccccc2C#N)cn1 211504175 FZDWWMNDWVDZKE-UHFFFAOYSA-N 199.213 2.084 30 50 AEEA N#CCc1cc(F)cc(F)c1F 2575072 FYOYNOOXHLNVNJ-UHFFFAOYSA-N 171.121 2.170 30 50 AEEA in-vitro CN(C)/C=N/[C@H]1C[C@@H]1c1ccccc1 5688698 IUCJBKQMJIEQGY-LZEMIWRJSA-N 188.274 2.132 30 50 AEEA N#Cc1cc(N)cc(C(F)(F)F)c1 21981693 UMUDGXVSXIXLCF-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro C=CCOc1cc(C(=O)O)ccc1F 204752876 KFCRKKPGDJWORK-UHFFFAOYSA-N 196.177 2.089 30 50 AEEA C[C@H](CC=O)CCCC(C)(C)O 2041101 WPFVBOQKRVRMJB-VIFPVBQESA-N 172.268 2.153 30 50 AEEA endogenous,in-man C=CC[C@@H]1C=CC[C@@H](CC=C)N1 2139559 GAYQJEALDMVJON-GHMZBOCLSA-N 163.264 2.425 30 50 AEEA in-vitro [N-]=[N+]=Nc1ccc(O)c([N+](=O)[O-])c1 34310004 ZDQFIUAWRBXXIE-UHFFFAOYSA-N 180.123 2.242 30 50 AEEA N#Cc1coc2ccccc12 22014109 VLLADTXGBAUFMW-UHFFFAOYSA-N 143.145 2.304 30 50 AEEA in-vitro CCc1ccc(CC#N)cc1 2390025 NCPKDFDQDZMXCO-UHFFFAOYSA-N 145.205 2.315 30 50 AEEA in-vitro Cc1c(F)ccc(F)c1C#N 39088548 GIRMHLSPAMODBZ-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA CCCO/N=C\c1ccncc1C 43761464 NNVOOEWCAJPLDM-WQLSENKSSA-N 178.235 2.151 30 50 AEEA N#CCc1nc2ccccc2s1 80476 ZMZSYUSDGRJZNT-UHFFFAOYSA-N 174.228 2.362 30 50 AEEA biogenic C=CC[C@](C)(O)c1ccccc1 1622078 BELRNEPYFJNSPN-NSHDSACASA-N 162.232 2.470 30 50 AEEA in-vitro C=CCc1cccc(O)c1 34527716 PSXBTXZCQRAZGM-UHFFFAOYSA-N 134.178 2.121 30 50 AEEA in-vitro C=CCOc1ccc(O)c(C(C)=O)c1 2173117 XKUBEXBXAYTTLA-UHFFFAOYSA-N 192.214 2.160 30 50 AEEA C=CCOC(=O)c1ccccc1 1665020 LYJHVEDILOKZCG-UHFFFAOYSA-N 162.188 2.029 30 50 AEEA endogenous,in-man C=C1CCC[C@H](C)[C@H]1CCO 3070127 ZINDPOBVQRKRCZ-UWVGGRQHSA-N 154.253 2.361 30 50 AEEA Cc1ccc(/N=C/N(C)C)cc1 17723517 NOBRDGQOCLNSSL-DHZHZOJOSA-N 162.236 2.216 30 50 AEEA CNc1oc(-c2ccccc2)nc1C#N 75359 RPMIUTPEVIZMTL-UHFFFAOYSA-N 199.213 2.255 30 50 AEEA CCC[C@H](C)CC#N 2578918 JDVUMGUHKLDEQL-ZETCQYMHSA-N 111.188 2.336 30 50 AEEA CCOC1=CC(=O)CC(C)(C)C1 4783363 HALCXXAVLJHSTJ-UHFFFAOYSA-N 168.236 2.296 30 50 AEEA Cc1ccc(CS)cc1 4282632 AGFYZLVFPSGUIX-UHFFFAOYSA-N 138.235 2.425 30 50 AEEA in-vivo N#Cc1cc2cc[nH]c2cc1F 230504407 HITOEBXXXWHQOR-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA Cc1cccc(C(=O)CC#N)c1 96026 IVLKDYOTZMFMLO-UHFFFAOYSA-N 159.188 2.091 30 50 AEEA in-vitro CCC1CCC(C=O)CC1 39060712 GJRARBLKMCCJFO-UHFFFAOYSA-N 140.226 2.402 30 50 AEEA CC(C)[C@@H](C)Nc1ccc(C#N)nc1 131882793 FGWLAGQQJNYRKY-SECBINFHSA-N 189.262 2.410 30 50 AEEA CC(C)c1nc(C#N)c(NC2CC2)o1 1857799539 JIRCINSXCFBCQZ-UHFFFAOYSA-N 191.234 2.244 30 50 AEEA Cc1c(C#N)c2ccccc2n1C 49936 QWHVKHABWPGMGT-UHFFFAOYSA-N 170.215 2.358 30 50 AEEA biogenic,in-vitro N#Cc1ccccc1OCC1CC1 163493 CHNJGSSTVQFKLP-UHFFFAOYSA-N 173.215 2.347 30 50 AEEA C[C@H]1CC(=O)C2=C1CCCC2 38250994 XAIDJKMHAGUWQN-ZETCQYMHSA-N 150.221 2.466 30 50 AEEA Cc1nc2c(o1)CCC[C@H]2CC#N 261225002 PLQUEAJMHWMBTG-QMMMGPOBSA-N 176.219 2.317 30 50 AEEA C#CC1[C@H]2CCCC[C@H]12 1772572624 ZANCPIQLQRAOGR-RKDXNWHRSA-N 120.195 2.056 30 50 AEEA C[C@@H](C#N)c1cccc(C(=O)O)c1 1704341 IRYIYPWRXROPSX-ZETCQYMHSA-N 175.187 2.012 30 50 AEEA in-vitro C[C@H](Cc1ccccc1)/N=C/N(C)C 5751592 GLUKOMQJDSURTJ-BVRAVYJCSA-N 190.290 2.208 30 50 AEEA CCCCNCC#Cc1ccccc1 7261606 QCRZVGPSRJGAFN-UHFFFAOYSA-N 187.286 2.428 30 50 AEEA CCN(CCC#N)c1ccccc1 1574332 WYRNRZQRKCXPLA-UHFFFAOYSA-N 174.247 2.427 30 50 AEEA CCCCOS(=O)OCCCC 1641014 FEYYOXFAQQJEIG-UHFFFAOYSA-N 194.296 2.199 30 50 AEEA C1CCC[C@H]2O[C@H]2CC1 1689845 MELPJGOMEMRMPL-OCAPTIKFSA-N 126.199 2.108 30 50 AEEA in-vitro N#Cc1cccc(C(F)(F)F)c1N 2003982 UHOSMRSMWHLHJO-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro C=CCCNC(=O)OC(C)(C)C 39094327 YWSXTMBDIBZHBB-UHFFFAOYSA-N 171.240 2.087 30 50 AEEA in-vitro CC/C(=N\O)c1ccccc1 85205430 MDLJMYBJBOYUNJ-MDZDMXLPSA-N 149.193 2.275 30 50 AEEA C=C1CCCCCC[C@@H]1O 45070355 YKHHIMQHDWJSRT-VIFPVBQESA-N 140.226 2.258 30 50 AEEA OCCCCCCCC[C@@H]1CO1 112999355 ATKIKCFIUFQCNU-SNVBAGLBSA-N 172.268 2.108 30 50 AEEA CC(=O)/C=C/C=C(C)C 2018343 KSKXSFZGARKWOW-GQCTYLIASA-N 124.183 2.098 30 50 AEEA N#CCC[C@@H]1CCCCC1=O 2044184 SPTVCXKSSRBTMN-QMMMGPOBSA-N 151.209 2.049 30 50 AEEA in-vitro N#Cc1cnc(C(F)(F)F)c(F)c1 261186076 HSJJRYVCFVSJAZ-UHFFFAOYSA-N 190.099 2.111 30 50 AEEA CN(C)/C=C/C(=O)c1ccccc1F 1391558 CJIYFDMXXQURKM-BQYQJAHWSA-N 193.221 2.084 30 50 AEEA N#Cc1cc(C(F)(F)F)ccc1O 95929185 FGLWZZOKMAMVSE-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA in-vitro C[C@]1(C2CCCCC2)O[C@@H]1C#N 306966231 OFNFUCQZTQWIGK-NXEZZACHSA-N 165.236 2.248 30 50 AEEA Cc1cc(Br)ncc1C#N 21981903 DHUDYHHQMIRPHS-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro N#CCC(=O)c1ccc(Cl)cc1 95250 JYOUFPNYTOFCSJ-UHFFFAOYSA-N 179.606 2.436 30 50 AEEA in-vitro N#C[C@H]1CCCC[C@]12OCCS2 44125674 JQHYQNMGUYCGNM-RKDXNWHRSA-N 183.276 2.160 30 50 AEEA BrC#Cc1ccccc1 54967241 BPVHWNVBBDHIQU-UHFFFAOYSA-N 181.032 2.391 30 50 AEEA in-vitro C=C(C)C(=O)O[C@H]1C[C@H]2C=C[C@H]1C2 102310686 WQUQEEUZJPRILD-GUBZILKMSA-N 178.231 2.070 30 50 AEEA in-vitro Cc1ccc([C@@]2(C)O[C@H]2C#N)cc1 307008888 HSOGGEOVXIIWBW-WDEREUQCSA-N 173.215 2.133 30 50 AEEA N#Cc1ccccc1NC1CC1 20076019 SAEMCVCVAUDVNV-UHFFFAOYSA-N 158.204 2.133 30 50 AEEA in-vitro N#Cc1c(F)c(F)c(F)c(F)c1F 1845698 YXWJGZQOGXGSSC-UHFFFAOYSA-N 193.074 2.254 30 50 AEEA in-vitro N#Cc1cccc(C2CCNCC2)c1 2512977 CSINBIMKXOMGDE-UHFFFAOYSA-N 186.258 2.025 30 50 AEEA CC1(C)CC(=O)C=C(Cl)C1 4822595 PJYTYJGMJDIKEJ-UHFFFAOYSA-N 158.628 2.498 30 50 AEEA CN(C)/C=N/Cc1ccccc1Cl 96027243 LXIMNKTWZADBTG-XYOKQWHBSA-N 196.681 2.430 30 50 AEEA C/N=C/[C@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C 137418483 KAKIQCUKNLFWTN-HQRWXCMSSA-N 195.306 2.120 30 50 AEEA O=CC1CC2(CCCC2)C1 1857785977 FCTABFHQROLCAP-UHFFFAOYSA-N 138.210 2.156 30 50 AEEA CCN(CC#N)c1cccc(C)c1 5139252 XLAYCZJJQWGFAZ-UHFFFAOYSA-N 174.247 2.345 30 50 AEEA O=C[C@H]1CCCC2(CC2)C1 575512551 QMOUYRJZOFWHLQ-QMMMGPOBSA-N 138.210 2.156 30 50 AEEA C=CCNc1ccccc1 12363587 LQFLWKPCQITJIH-UHFFFAOYSA-N 133.194 2.285 30 50 AEEA in-vivo CC(=O)C=C1CCCC1 2519746 UTZMTDJSBFQHBK-UHFFFAOYSA-N 124.183 2.076 30 50 AEEA C=C[C@]1(O)C=C(C)CCC1 45072108 VETXXJZMVVPTTA-SECBINFHSA-N 138.210 2.034 30 50 AEEA C/N=C\c1c[nH]c2ccccc12 103781024 ZODFSZFJOLTANE-WDZFZDKYSA-N 158.204 2.217 30 50 AEEA C#Cc1ccc(-c2ccccn2)nc1 28536184 RQXYJBJCQSECMR-UHFFFAOYSA-N 180.210 2.125 30 50 AEEA N#CCCC[C@H](N)c1ccccc1 238670155 GYGKWTPZFJWULK-NSHDSACASA-N 174.247 2.380 30 50 AEEA in-vitro CC[C@@]1(c2ccccc2F)O[C@H]1C#N 306282920 IMITXALSOJZMRT-QWRGUYRKSA-N 191.205 2.353 30 50 AEEA Cc1cc(C#N)c(C)c(C#N)c1 393233 CQDLIGVVPZHEAS-UHFFFAOYSA-N 156.188 2.047 30 50 AEEA Cc1cc(C#N)ccc1F 2510727 ZMEAHKIIWJDJFT-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro N#Cc1ccc(N)cc1C(F)(F)F 162833 PMDYLCUKSLBUHO-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro C=CCN(C)c1ccccc1 1690122 WJYIMFNLIJXFMX-UHFFFAOYSA-N 147.221 2.309 30 50 AEEA CN(C)/C=N/[C@H]1CCc2ccccc21 2017021 WTSJSOXQVMVTBD-OQZOHAQUSA-N 188.274 2.264 30 50 AEEA C[C@@H]1CCC[C@@H](S)C1 26515305 PWHHTYJQSMSOEC-RNFRBKRXSA-N 130.256 2.495 30 50 AEEA endogenous,in-man C=C(C)c1cc(C#N)ccc1N 616567921 XJDDRGLDYCBGOB-UHFFFAOYSA-N 158.204 2.174 30 50 AEEA N#C[C@@H]1C[C@@H]1c1ccccc1 4787077 KUCVFITUDJTMFA-VHSXEESVSA-N 143.189 2.314 30 50 AEEA CC(=O)/C=C\c1ccccc1 8580219 BWHOZHOGCMHOBV-FPLPWBNLSA-N 146.189 2.289 30 50 AEEA in-vitro C1C[C@H]2C[C@H]1C13OC21[C@H]1CC[C@H]3C1 101003389 UYAFBCVPXYNAND-JCPPKONASA-N 176.259 2.354 30 50 AEEA CCC#Cc1ccccc1 1845937 FFFMSANAQQVUJA-UHFFFAOYSA-N 130.190 2.448 30 50 AEEA in-vitro CN(C)/C=C/C(=O)c1ccc(F)cc1 104541 GTJNUCRUOWBWEW-BQYQJAHWSA-N 193.221 2.084 30 50 AEEA N#CCCOc1ccc(F)cc1 2574869 MSQBUHCLFYFIGC-UHFFFAOYSA-N 165.167 2.118 30 50 AEEA in-vitro C=CC(C)(C)CC(=O)OCC 5650544 ZLDOMUPTDYCDBS-UHFFFAOYSA-N 156.225 2.152 30 50 AEEA N#CC1(c2ccccc2F)CC1 49671869 RAAFWJWXKWFSJX-UHFFFAOYSA-N 161.179 2.381 30 50 AEEA in-vitro CC1(CC#N)CCCC1 113244635 AZJKTWSXMVCKQO-UHFFFAOYSA-N 123.199 2.480 30 50 AEEA in-vitro C#CC1CCCCC1 1845526 SSDZYLQUYMOSAK-UHFFFAOYSA-N 108.184 2.200 30 50 AEEA in-vitro N#Cc1ccc(O)c(C(F)(F)F)c1 15442969 QXIFYONUKBXFTH-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA in-vitro CC1=CCC[C@H](C)[C@H]1C=O 6037466 ZTNFZIHZMITMGE-IUCAKERBSA-N 138.210 2.178 30 50 AEEA CC(=O)/C=C1\OCc2ccccc21 67172483 RBHHGDADHCEGTP-WDZFZDKYSA-N 174.199 2.147 30 50 AEEA CCCCNc1ccc(C#N)nc1 131877356 AQMAYHVEQRYMRI-UHFFFAOYSA-N 175.235 2.165 30 50 AEEA N#CC1(C2CC2)CCC(=O)CC1 149383473 PHPMGMPLWGFZKK-UHFFFAOYSA-N 163.220 2.049 30 50 AEEA in-vitro Cc1ccc([C@]2(C)O[C@@H]2C#N)s1 306962189 BFRHDJFVJJHARF-VXNVDRBHSA-N 179.244 2.194 30 50 AEEA CCCCCC[C@@H]1O[C@@H]1[C@H](O)CC 4569686 MZWYIBGJZWHXHJ-OUAUKWLOSA-N 186.295 2.495 30 50 AEEA C#Cc1ccc(CN(C)CCF)cc1 585085808 RYKQKJATMMSDBZ-UHFFFAOYSA-N 191.249 2.069 30 50 AEEA O=CCCc1ccc(Cl)cc1 19682827 UXIFTAZOVKVCBX-UHFFFAOYSA-N 168.623 2.472 30 50 AEEA N#C[C@H](C=O)c1ccc(Cl)cc1 166008 DAEXXSXAEMFPHQ-MRVPVSSYSA-N 179.606 2.146 30 50 AEEA in-vitro C=CCOC(=O)C(CC)CC 1665018 NBKXNUWCFMZFMM-UHFFFAOYSA-N 156.225 2.152 30 50 AEEA endogenous,in-man C=CCC1(CC=C)CCCN1 4008886 NCGZTZMXOLYPSP-UHFFFAOYSA-N 151.253 2.261 30 50 AEEA in-vitro N#Cc1ccc(CN2CCCC2)cc1 4207291 CURIZTVQZBYWBR-UHFFFAOYSA-N 186.258 2.154 30 50 AEEA N#Cc1c(N)cccc1C(F)(F)F 16158703 HKKKKTUZACXWLU-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro CC1(C)[C@@H]2C[C@@H]3O[C@@]3(C)C[C@H]21 115690980 AGHSZSJVJPSERC-ODXREFDESA-N 152.237 2.210 30 50 AEEA C[C@H]1CN/C(=N\c2ccccc2)S1 17241892 QQURMDYWWNVZAF-QMMMGPOBSA-N 192.287 2.399 30 50 AEEA C=CCOc1ccccc1[C@H](C)N 37697649 RMJYCMDUAJKNKH-VIFPVBQESA-N 177.247 2.271 30 50 AEEA in-vitro CC(C)(C)OC(=O)n1cccc1C#N 219035941 GDHNTBXGTBFNIC-UHFFFAOYSA-N 192.218 2.143 30 50 AEEA C#C[C@]1(O)C[C@@H](C(C)C)CC[C@H]1C 216140728 UNRBJPBPUKHWSA-WOPDTQHZSA-N 180.291 2.443 30 50 AEEA biogenic C=CCc1ccccc1O 1576883 QIRNGVVZBINFMX-UHFFFAOYSA-N 134.178 2.121 30 50 AEEA biogenic,in-vivo C[C@H]1CCCC/C1=N/O 100094781 MDIFHVYPHRHKLB-WXIAHEHCSA-N 127.187 2.027 30 50 AEEA N#CCc1c[nH]c2ccccc12 163492 DMCPFOBLJMLSNX-UHFFFAOYSA-N 156.188 2.234 30 50 AEEA endogenous,in-man C#C[C@@H]1CCCN1C(=O)OC(C)(C)C 34353351 MKFYNQAKTJFISL-SECBINFHSA-N 195.262 2.019 30 50 AEEA in-vitro N#CCc1ccc2[nH]ccc2c1 34525948 OXUQBDQMQTZQPK-UHFFFAOYSA-N 156.188 2.234 30 50 AEEA in-vitro C=CCNC(=S)Nc1ccccc1 5192951 RJTICPGQFMYYEG-UHFFFAOYSA-N 192.287 2.159 30 50 AEEA C=C1CCC(C(=O)OCC)CC1 34478263 DLVGFWIRQAUWDC-UHFFFAOYSA-N 168.236 2.296 30 50 AEEA in-vitro C#C[C@H](CCC)NC(=O)CCCC 170611751 NVMRECYNRMWBIZ-SNVBAGLBSA-N 181.279 2.095 30 50 AEEA Cc1ccc(F)c(C#N)c1F 39712896 OXAYAJBYFPLWFX-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA C#CCN(CC=C)C(=O)OC(C)(C)C 66323456 JJOBBHMBMRQQHU-UHFFFAOYSA-N 195.262 2.043 30 50 AEEA in-vitro N#Cc1occc1C1CC1 118597191 IQDKFLFVSLUNEO-UHFFFAOYSA-N 133.150 2.029 30 50 AEEA COc1ccc(CC#N)c(C)c1 2391424 IXOPCMZOHYZDMX-UHFFFAOYSA-N 161.204 2.070 30 50 AEEA in-vitro N#Cc1ccc(Br)c(O)c1 59826233 HDWXAOLSLSTVEW-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro C=CCc1cccc(NC(C)=O)c1O 399970 FDSPMKRCGKJAPA-UHFFFAOYSA-N 191.230 2.079 30 50 AEEA C[C@@H]1CCC[C@@H](C)C1=NO 5369550 PHLQNGDQAIKEMA-RNFRBKRXSA-N 141.214 2.273 30 50 AEEA N#C[C@]1(c2cccc(F)c2)CCOC1 19093055 MCIUUIBAALPEHP-LLVKDONJSA-N 191.205 2.007 30 50 AEEA in-vitro CC(C)CNc1ccc(C#N)nc1 131879299 FAJLMTCPKIGCCY-UHFFFAOYSA-N 175.235 2.021 30 50 AEEA CCOCc1ccc(C#N)cc1 19475816 QMZCNWHTYYXMDF-UHFFFAOYSA-N 161.204 2.095 30 50 AEEA in-vitro C=CCNC(=O)c1ccc(C)c(C)c1 5814864 SCRUICOXNOGJMV-UHFFFAOYSA-N 189.258 2.219 30 50 AEEA N#Cc1ccc(-c2cnccc2N)cc1 91365847 LMXKFBBQTCXHDY-UHFFFAOYSA-N 195.225 2.202 30 50 AEEA in-vitro Cc1[nH]ncc1-c1ccsc1C#N 259811964 WBAZGNJFXXVCPS-UHFFFAOYSA-N 189.243 2.318 30 50 AEEA C[C@@]1(c2cccc(Cl)c2)O[C@H]1C#N 307154212 KNRMWYRPWFHGCX-UWVGGRQHSA-N 193.633 2.478 30 50 AEEA CC(=O)C1=Cc2cc(F)ccc2OC1 675082111 SNZMPNOXYDFDGQ-UHFFFAOYSA-N 192.189 2.191 30 50 AEEA N#Cc1ccccc1Br 164585 AFMPMSCZPVNPEM-UHFFFAOYSA-N 182.020 2.321 30 50 AEEA O/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 136783057 ZOQDYKIXVHGLTC-CUVUYMJZSA-N 165.236 2.273 30 50 AEEA CC(C)(C)n1ccc(C#N)c1 59270618 UXQAPTCKGANONW-UHFFFAOYSA-N 148.209 2.115 30 50 AEEA in-vitro C/C=C/C(=O)[C@@H](C)CC 100003882 ARJWAURHQDJJAC-KNIZRNDPSA-N 126.199 2.178 30 50 AEEA CC1(C)[C@H]2CC[C@]3(CO3)[C@@H]1C2 3921426 OUXAABAEPHHZPC-XKSSXDPKSA-N 152.237 2.212 30 50 AEEA CC1(C)CC(=O)C2=CCC[C@@H]21 39236791 BGNWESSCOHCUKI-QMMMGPOBSA-N 150.221 2.322 30 50 AEEA C[C@H](C#N)Sc1ncccc1F 334660582 NEEMLLCCCJVIAI-ZCFIWIBFSA-N 182.223 2.225 30 50 AEEA C#CCC1CCCC1 2168565 VBTCAHMANZTRMG-UHFFFAOYSA-N 108.184 2.200 30 50 AEEA N#C[C@H]1O[C@]12CCCc1ccccc12 148609892 DBMVWSSEIFXVGH-NEPJUHHUSA-N 185.226 2.141 30 50 AEEA CCC(=O)[C@@H](C#N)c1ccccc1 5818636 CDTCQMCSOFAGDD-JTQLQIEISA-N 173.215 2.273 30 50 AEEA C=CCC1=CCC2(CC1)OCCO2 45071627 OLMCIYCPPIZWPG-UHFFFAOYSA-N 180.247 2.416 30 50 AEEA C[C@]1(C=O)CCCC(F)(F)C1 1857779424 QFWIXFRATZUAKM-ZETCQYMHSA-N 162.179 2.401 30 50 AEEA C=CCc1cc(OC)c(O)c(OC)c1 404273 FWMPKHMKIJDEMJ-UHFFFAOYSA-N 194.230 2.138 30 50 AEEA endogenous,in-man Cc1cc(F)cc(CC#N)c1 2243221 YFJTYGYGDNXMML-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA in-vitro C/C(N)=N/N=C/c1ccccc1Cl 3199968 NAAQKBIXKSIDIR-WUXMJOGZSA-N 195.653 2.051 30 50 AEEA N#Cc1cccc2c1[C@@H]1[C@@H]3C[C@@H]2[C@@]31C#N 104290300 BMGNRXBFMWJKMW-UKJIMTQDSA-N 192.221 2.283 30 50 AEEA CN(C)/C=N/[C@H]1C[C@H]1c1ccccc1 31283512 IUCJBKQMJIEQGY-VSIAZPJASA-N 188.274 2.132 30 50 AEEA CCCCN/C(=N\C(C)C)NC(C)C 112979078 KUGOAVWLRXOHOR-UHFFFAOYSA-N 199.342 2.139 30 50 AEEA C=C1C[C@@H]1C1(O)CCCCC1 3106353 OSZRZYCSVAQQJF-VIFPVBQESA-N 152.237 2.258 30 50 AEEA CC(C)C(=O)Nc1cccc(C#N)c1 9254030 JWBISRKEEZGPFB-UHFFFAOYSA-N 188.230 2.153 30 50 AEEA in-vitro C[C@]12CCC=C1C(=O)CC2 71786220 FUTGMVGXCCZVBZ-SECBINFHSA-N 136.194 2.076 30 50 AEEA CC(C)=NOC(=O)c1ccccc1 43794487 CTIVZNURROIUHT-UHFFFAOYSA-N 177.203 2.239 30 50 AEEA in-vitro N#Cc1sccc1-c1cncnc1 725245456 HZTGXUPUCQEOIN-UHFFFAOYSA-N 187.227 2.077 30 50 AEEA C=C[C@H]1C[C@@H]2C=C[C@H]1C2 1690667 INYHZQLKOKTDAI-CIUDSAMLSA-N 120.195 2.385 30 50 AEEA C=CC1CCCC1 1699380 BEFDCLMNVWHSGT-UHFFFAOYSA-N 96.173 2.363 30 50 AEEA in-vitro C=C[C@@H](O)C1=CCCC1(C)C 45071575 IFHJYZGOTFLYLT-SECBINFHSA-N 152.237 2.280 30 50 AEEA CCC#C[Si](C)(C)C 195757283 QKUFWNQHBGARJY-UHFFFAOYSA-N 126.275 2.277 30 50 AEEA in-vitro CCc1ccc([C@@]2(C)O[C@@H]2C#N)cc1 306216776 LDWYYYIANBVMSA-VXGBXAGGSA-N 187.242 2.387 30 50 AEEA O/N=C1\CCCc2ccccc21 18038450 YFDVQUUMKXZPLK-ZHACJKMWSA-N 161.204 2.201 30 50 AEEA in-vitro N#Cc1ccnc(Oc2ccncc2)c1 263624792 UFZCYSQVBRPYJB-UHFFFAOYSA-N 197.197 2.141 30 50 AEEA C=C[C@@]1(O)C=C(C)CCC1 45072106 VETXXJZMVVPTTA-VIFPVBQESA-N 138.210 2.034 30 50 AEEA C#C[C@H](O)c1ccc(Cl)cc1F 163273409 FYEFYHSIFRYYGA-VIFPVBQESA-N 184.597 2.146 30 50 AEEA in-vitro CC(=O)/C=C/c1ccc(N(C)C)cc1 159652 IAMOQOMGCKCSEJ-SNAWJCMRSA-N 189.258 2.355 30 50 AEEA biogenic,in-vitro C=C[C@@]1(C)/C(=N\N(C)C)[C@@H]2CC=C[C@@H]21 102319009 PBOMLSUOGHXCFJ-CBWDKWQCSA-N 190.290 2.302 30 50 AEEA C=C(C)[C@H]1CC=C(CO)CC1 4521773 NDTYTMIUWGWIMO-JTQLQIEISA-N 152.237 2.281 30 50 AEEA endogenous,world CC(=O)[C@H](C#N)c1ccccc1F 33610905 AMRZXBJBTQMMOR-VIFPVBQESA-N 177.178 2.022 30 50 AEEA in-vitro CC1(C)C=C(Br)C(=O)C1 45071945 RHAJWAJOSORDIE-UHFFFAOYSA-N 189.052 2.264 30 50 AEEA Cc1cc(F)c(F)c(C#N)c1 19616019 YHCHCXBCEMMYSF-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA CC1(C)CCC2=C1C(=O)CC2 45071363 XLOSJJHYKQYOFF-UHFFFAOYSA-N 150.221 2.466 30 50 AEEA O=C1C=COCC12CCCCC2 521399581 BNOWZTTVMFLETK-UHFFFAOYSA-N 166.220 2.050 30 50 AEEA CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](O)C2 38338144 PYQMNINTTPIRIT-NQMVMOMDSA-N 186.320 2.103 30 50 AEEA CCN(CC)c1ccccc1C#N 20075931 YWJQYHVWROTJNW-UHFFFAOYSA-N 174.247 2.404 30 50 AEEA in-vitro C=C[C@@H](C)CC 2031175 LDTAOIUHUHHCMU-ZCFIWIBFSA-N 84.162 2.219 30 50 AEEA in-vitro CC(C)=NNc1ccc([N+](=O)[O-])cc1 5003298 PWBJKZURNAKQEZ-UHFFFAOYSA-N 193.206 2.403 30 50 AEEA C=C1CC(NC(=O)OC(C)(C)C)C1 20357619 UKVCZCZNTKQCCW-UHFFFAOYSA-N 183.251 2.230 30 50 AEEA in-vitro C=CCN(CC=C)CCCC 39384929 FLEBNGWAHUAGKT-UHFFFAOYSA-N 153.269 2.461 30 50 AEEA CC1(C)CC(C#N)CC(C)(C)N1[O] 100027610 OCIQOBBYJWEKSA-UHFFFAOYSA-N 181.259 2.125 30 50 AEEA C#CCn1cc(C=O)c2ccccc21 308835 DETIMAFLOAYCBG-UHFFFAOYSA-N 183.210 2.087 30 50 AEEA in-vitro CCOc1ccc(C(=O)CC#N)cc1 2579792 CJZHUVVJWMKTPH-UHFFFAOYSA-N 189.214 2.182 30 50 AEEA in-vitro C#C[C@]1(O)[C@H](C)CCCC1(C)C 3107562 PQQOQXUYGRGYEK-KOLCDFICSA-N 166.264 2.197 30 50 AEEA C=CCN(C(C)=O)c1ccccc1 36448173 UQXPILNGOMHLND-UHFFFAOYSA-N 175.231 2.226 30 50 AEEA C/N=C/[C@@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C 137418524 KAKIQCUKNLFWTN-YCCRNZITSA-N 195.306 2.120 30 50 AEEA C[C@@H]1C[C@@H]1CCCC=O 1535688082 KRWXYIFAXTZWPZ-SFYZADRCSA-N 126.199 2.012 30 50 AEEA Cc1ccc(NC(=S)C#N)cc1 401676 CUJMAOXULUUTRQ-UHFFFAOYSA-N 176.244 2.258 30 50 AEEA N#Cc1cc(F)c(F)cc1Cl 2584926 AKZDICFDUJUQRX-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA in-vitro ON=Cc1cccn1-c1ccccc1 244633575 GFJSURQCDNEJDI-UHFFFAOYSA-N 186.214 2.285 30 50 AEEA N#Cc1ccc(C2CC2)cc1 16947194 HJWMALLDRPONGB-UHFFFAOYSA-N 143.189 2.436 30 50 AEEA in-vitro Cc1nc(C#N)ccc1Br 85223682 NFJCCSONEBUNGR-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C=Cc1cccc(CC#N)c1 5158054 VBRWJLQEFUANAQ-UHFFFAOYSA-N 143.189 2.396 30 50 AEEA O=CC[C@@H]1CCCC12CC2 1857786595 OIBBROGPWCPJBJ-QMMMGPOBSA-N 138.210 2.156 30 50 AEEA CCc1[nH]c(=S)c(C#N)cc1C 335577 VNPLFOUWJMMDOM-UHFFFAOYSA-N 178.260 2.487 30 50 AEEA N#CC1(c2cccc(F)c2)CC1 32918440 OFFLWDDLGSEGTI-UHFFFAOYSA-N 161.179 2.381 30 50 AEEA C=CCOC(CCC#N)OCC=C 43199161 ZXWFIEKIKZSYGF-UHFFFAOYSA-N 181.235 2.021 30 50 AEEA COc1ccc(C#N)c2occc12 118095315 ZNVQXGZORDEGLK-UHFFFAOYSA-N 173.171 2.313 30 50 AEEA C=C1[C@@H]2C=C[C@H]3[C@@H](C=C2)[C@H]13 253591112 ODDFIEFZIRYLLI-CHIWXEEVSA-N 130.190 2.161 30 50 AEEA C=C[C@@H](O)CCCCC 2026960 VSMOENVRRABVKN-MRVPVSSYSA-N 128.215 2.114 30 50 AEEA endogenous,in-man CC(=O)C1=Cc2cccc(F)c2OC1 675081795 MAODHQDKZICGRE-UHFFFAOYSA-N 192.189 2.191 30 50 AEEA COc1ccc2nc(C#N)ccc2c1 1621970 MOBUAKGGKVGTIE-UHFFFAOYSA-N 184.198 2.115 30 50 AEEA in-vitro Cc1cc(F)c(F)cc1C#N 19615434 NEUWJWYFYDQUMY-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA in-vitro N#Cc1cc(Cl)cs1 66322873 ZYSQCHVJVZREAZ-UHFFFAOYSA-N 143.598 2.273 30 50 AEEA in-vitro Cc1[nH]c(C)c(C#N)c1Br 76819594 YSAMLRMSYXSUHU-UHFFFAOYSA-N 199.051 2.266 30 50 AEEA in-vitro COc1cccc2ccc(C#N)nc12 62566964 GDSMTLWIGALEHM-UHFFFAOYSA-N 184.198 2.115 30 50 AEEA N#Cc1ccc(Cl)cc1[N+](=O)[O-] 1609559 OZKOAADVLVCNFO-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro O/N=C(\c1ccccc1)c1ccccn1 95911100 RSJDEVMJZLLAHS-WYMLVPIESA-N 198.225 2.308 30 50 AEEA CC(C)N(CCCC#N)C(C)C 1707975 SWVUWKUFMMUEDC-UHFFFAOYSA-N 168.284 2.409 30 50 AEEA in-vitro N#Cc1cc(Cl)c(Cl)cc1N 113752514 OERKZOSLSXFLMY-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA in-vitro C=CC[C@@H]1[C@@H](O)C[C@@H]1OC(C)(C)C 1535639448 BTCSCRDLMPZUGU-UTLUCORTSA-N 184.279 2.127 30 50 AEEA N#Cc1cnc(-c2ccccc2)nc1 34204365 OZDRGIMFRMFITG-UHFFFAOYSA-N 181.198 2.015 30 50 AEEA in-vitro C/N=C1C(=N\O)\C=C[C@H]2CCCC[C@@H]\12 101669775 RUSBENYTOVBCRA-BQEWSKAQSA-N 192.262 2.264 30 50 AEEA C[C@@]1(c2c(F)cccc2F)O[C@H]1C#N 306632031 OMVUXYWDGOJWPC-WCBMZHEXSA-N 195.168 2.102 30 50 AEEA COc1cc(/C=C/C(C)=O)ccc1O 8046 AFWKBSMFXWNGRE-ONEGZZNKSA-N 192.214 2.003 30 50 AEEA biogenic,in-vivo C=CCc1cc(C)ccc1O 1690120 JVXJWGPWQBPZOI-UHFFFAOYSA-N 148.205 2.429 30 50 AEEA C[C@@H](CS)C(=O)Nc1ccccc1 3876634 HYSZMMFJUPRULF-QMMMGPOBSA-N 195.287 2.191 30 50 AEEA C=CC[C@@H](O)Cc1ccccc1 36466352 YQNUFNXWLWCHSH-LLVKDONJSA-N 162.232 2.166 30 50 AEEA N#Cc1c[nH]c2cccc(F)c12 83269377 YVNUHMSVHFAOBK-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA in-vitro COc1cccc(/C(N=[N+]=[N-])=N/O)c1 685939443 OTLBZOYNEVCRCV-FLIBITNWSA-N 192.178 2.141 30 50 AEEA Cc1ccc(F)cc1C#N 156975 IBRODYNXELBTJC-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro C=C(C)CN(CC)Cc1ccncc1 766459 RRGBLLDFXGDFTQ-UHFFFAOYSA-N 190.290 2.480 30 50 AEEA C=C[C@@H]1CC1(Cl)Cl 86019925 GAAAGAHNGGKSQH-SCSAIBSYSA-N 137.009 2.366 30 50 AEEA CC(=O)C[C@@H]1[C@H](CC#N)C1(C)C 2512270 KRZTYSCUOUIFHR-DTWKUNHWSA-N 165.236 2.151 30 50 AEEA in-vitro C=C(C)[C@@H]1CC=C(C(=O)O)CC1 1532418 CDSMSBUVCWHORP-MRVPVSSYSA-N 166.220 2.374 30 50 AEEA endogenous,world CCCCCCCOC=O 2041055 XEAMDSXSXYAICO-UHFFFAOYSA-N 144.214 2.130 30 50 AEEA endogenous,in-man Cc1cc(C#N)c(N)cc1Cl 90562920 UUWBRWXXBHDPMM-UHFFFAOYSA-N 166.611 2.102 30 50 AEEA in-vitro N#Cc1ccc(Cl)c(F)c1 2512522 GWZQVECNESCSKR-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro [N-]=[N+]=N/C(=N/O)c1cccc(F)c1 685939442 NUOYNZPULXHDFZ-YRNVUSSQSA-N 180.142 2.272 30 50 AEEA C=CCc1cc(NC(C)=O)ccc1O 1556315 GXJRGWXLIYRAHV-UHFFFAOYSA-N 191.230 2.079 30 50 AEEA C/C(=N\O)c1ccc(C)cc1 12447446 XAAUYUMBCPRWED-CSKARUKUSA-N 149.193 2.193 30 50 AEEA N#Cc1ccc2c(c1)ncn2C1CC1 20159896 SXCYPHZGXDLIHJ-UHFFFAOYSA-N 183.214 2.243 30 50 AEEA N#Cc1cc(Cl)nc(Cl)c1 154172 BTUKLHWINORBTN-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro N#Cc1cc(O)cc(C(F)(F)F)c1 71790047 NQJQWKVZBALRHB-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA in-vitro CC1=C[C@H](C)[C@H](C)[C@H](C=O)C1 100937017 DEMWVPUIZCCHPT-GUBZILKMSA-N 152.237 2.424 30 50 AEEA Cc1ccccc1[C@@]1(C)O[C@H]1C#N 306522439 LTRVWDZYOJCFNV-WDEREUQCSA-N 173.215 2.133 30 50 AEEA CCO/C=C(\CC)C(=O)C(F)F 536958414 LBOXRQZQZFPOQP-AATRIKPKSA-N 178.178 2.151 30 50 AEEA Cc1cc(C)c(/C=N/O)c(C)c1 100287532 QYZKLTLEVQDKFJ-IZZDOVSWSA-N 163.220 2.420 30 50 AEEA COc1ccc(CCC#N)c(F)c1 259741591 SDJKAWBLMBKEKQ-UHFFFAOYSA-N 179.194 2.290 30 50 AEEA Cc1cccc([C@]2(C)O[C@H]2C#N)c1 307448875 LPDYHYAZWYZIFV-QWRGUYRKSA-N 173.215 2.133 30 50 AEEA CC=C=CB1OC(C)(C)C(C)(C)O1 1775955487 YEJVYDQOQJSPSB-UHFFFAOYSA-N 180.056 2.349 30 50 AEEA Cc1nn(C)cc1C#Cc1ccccc1 187823 YZXSNYUWQNGCGQ-UHFFFAOYSA-N 196.253 2.128 30 50 AEEA CC1(C)[C@H]2CC[C@@]3(CO3)[C@@H]1C2 3921427 OUXAABAEPHHZPC-QXFUBDJGSA-N 152.237 2.212 30 50 AEEA in-vitro COC(=O)c1cccc([C@H](C)C#N)c1 34115898 VMRCDTRPKXLHOY-MRVPVSSYSA-N 189.214 2.100 30 50 AEEA CC(=O)[C@H](C#N)c1cccc(F)c1 36931208 KAVLAUXPWNENII-JTQLQIEISA-N 177.178 2.022 30 50 AEEA in-vitro Cc1cc(/N=C/c2ccoc2)no1 2506214 LBWYKAHAJZKSKD-BJMVGYQFSA-N 176.175 2.327 30 50 AEEA N#Cc1cccc(C#N)c1Cl 3628623 KELQMIQLTBTJNV-UHFFFAOYSA-N 162.579 2.083 30 50 AEEA in-vitro C[C@]1(CCC#N)C=CC(=O)CC1 6932896 BSGQNJVNTQSPBC-JTQLQIEISA-N 163.220 2.216 30 50 AEEA N#Cc1ccccc1C1CC1 17939992 ZQDBFODKGYNZFK-UHFFFAOYSA-N 143.189 2.436 30 50 AEEA in-vitro C=C(Cl)C(OCC)OCC 95828981 DDHSHXNOKGEBMS-UHFFFAOYSA-N 164.632 2.138 30 50 AEEA in-vitro C=CCOc1cccc(C=O)c1 3764991 SEDRQGRABDFZKO-UHFFFAOYSA-N 162.188 2.064 30 50 AEEA biogenic,in-vitro N#Cc1cnc2[nH]ccc2c1Cl 14401055 ULYGKPKPBWOTFQ-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro Cn1nc(C#N)c2c(Cl)cccc21 19092619 WDDAWSGEOSMNFS-UHFFFAOYSA-N 191.621 2.098 30 50 AEEA in-vitro C=CCC[C@@H]1CCC(=O)C1 38415718 SOVGSPFMASGWMT-MRVPVSSYSA-N 138.210 2.322 30 50 AEEA N#CCc1ccc(Cl)c([N+](=O)[O-])c1 1438790 QPAQAMJCBZXCGT-UHFFFAOYSA-N 196.593 2.314 30 50 AEEA CCc1ccc(C(=O)CC#N)cc1 2579776 WIHQQWBHEUCYCJ-UHFFFAOYSA-N 173.215 2.345 30 50 AEEA in-vitro C/C(=C\C(=O)c1cccs1)N(C)C 6780308 NXGSXJMLDZJGIZ-BQYQJAHWSA-N 195.287 2.396 30 50 AEEA C/N=C(/OC)[C@@H]1C[C@H]1c1ccccc1 43761980 QJLJNPAUMZDPDX-MRMLYHJQSA-N 189.258 2.465 30 50 AEEA CCO/C=C/C(=O)[C@@H](C)CC 307931834 VPKKHVIHFXXCRD-CZEYKFRCSA-N 156.225 2.152 30 50 AEEA N#Cc1cccc2c(Cl)ncnc12 95830485 BWXPTILLWVZEMH-UHFFFAOYSA-N 189.605 2.155 30 50 AEEA C=CCNCc1ccccc1C 16362695 RRLCEGMVQMHCDV-UHFFFAOYSA-N 161.248 2.271 30 50 AEEA C/C=C\N=C(\CCC)OC 1501065455 MMAMCCNEBFSRDB-PJHABFGRSA-N 141.214 2.365 30 50 AEEA COC(C)(C)CCC[C@@H](C)C=O 6036336 QMXBURPYNWBMJR-SECBINFHSA-N 172.268 2.417 30 50 AEEA N#Cc1ccc(F)c(C=O)c1Cl 96304872 PDOGRPSEJGJZJC-UHFFFAOYSA-N 183.569 2.163 30 50 AEEA Cc1cccc(C)c1CC#N 2528060 ABOLDLVTFQCAHP-UHFFFAOYSA-N 145.205 2.370 30 50 AEEA in-vitro N#Cc1cccc(OC(F)F)c1 2560128 JCBOPIBHZFBHQW-UHFFFAOYSA-N 169.130 2.160 30 50 AEEA in-vitro C=CCn1c(C2CC2)n[nH]c1=S 18276425 RNUJNNAYOBDOLY-UHFFFAOYSA-N 181.264 2.004 30 50 AEEA in-vitro CC(C)(C)C#CC(O)C#CC(C)(C)C 44076122 KGZASKNUKKURJQ-UHFFFAOYSA-N 192.302 2.446 30 50 AEEA N#Cc1n[nH]c2cc(Cl)ccc12 82048611 UURANFWTYQPVQY-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA Cc1cc(C#N)cc(C)c1S 200473371 DAAXFTQEAZFNEK-UHFFFAOYSA-N 163.245 2.464 30 50 AEEA CCOc1cncc(Cl)c1C#N 36448292 KUYZWPHLKDFTRX-UHFFFAOYSA-N 182.610 2.005 30 50 AEEA in-vitro N#Cc1cc2occc2cc1F 238545920 UCWZKLHNWYQVMM-UHFFFAOYSA-N 161.135 2.444 30 50 AEEA C=CCc1cc(C(=O)O)ccc1OC 1600285 LGIGQNDSEONVRB-UHFFFAOYSA-N 192.214 2.122 30 50 AEEA Cc1ccc(C)c(NN=C(C#N)C#N)c1 272328 LRWGKKCKOSUFQW-UHFFFAOYSA-N 198.229 2.119 30 50 AEEA C=CC[n+]1cc(C=C)ccc1C 3122243 AQEZVKOXGPVKBK-UHFFFAOYSA-N 160.240 2.112 30 50 AEEA C=CCOC(=O)Oc1ccccc1 25723557 ORUWSEKEVGOAQR-UHFFFAOYSA-N 178.187 2.388 30 50 AEEA in-vitro C=C(COC(C)=O)C[Si](C)(C)C 169743343 IKQWABMHZKGCLX-UHFFFAOYSA-N 186.327 2.444 30 50 AEEA in-vitro N#Cc1ccc(-c2cnco2)cc1 143268 LZMCNLOQTURTHS-UHFFFAOYSA-N 170.171 2.213 30 50 AEEA in-vitro N#Cc1cn[nH]c1-c1cccs1 31886344 IWLPDQDSYGOVBI-UHFFFAOYSA-N 175.216 2.010 30 50 AEEA N#Cc1ccc2ncc(F)cc2c1 953069693 RBVSORAPHLTZKV-UHFFFAOYSA-N 172.162 2.246 30 50 AEEA CCCCCCCC[C@@H](O)C(=O)O 2037274 GHPVDCPCKSNJDR-SECBINFHSA-N 188.267 2.183 30 50 AEEA in-vitro CC(C)(C)Oc1ccc(C#N)nc1 122476549 NDPUGXMFYZITLF-UHFFFAOYSA-N 176.219 2.131 30 50 AEEA C[C@@]1(C2CCCCC2)O[C@@H]1C#N 306966235 OFNFUCQZTQWIGK-ZJUUUORDSA-N 165.236 2.248 30 50 AEEA CC(=O)/C=C/c1ccccc1F 5159275 ZUZCIZDIGXGYDS-VOTSOKGWSA-N 164.179 2.428 30 50 AEEA in-vitro C=C(C)CC(C)(C)C(=O)O 71773323 XFVFEDRZGWLRRP-UHFFFAOYSA-N 142.198 2.063 30 50 AEEA C#CC1(NC(=O)OC(C)(C)C)CCC1 238120991 DLGDOLWJFQBSON-UHFFFAOYSA-N 195.262 2.067 30 50 AEEA C=CCc1cccc(OC)c1 4268409 GLXYYHFXAQWLEP-UHFFFAOYSA-N 148.205 2.424 30 50 AEEA in-vitro CC(C)c1c(O)cccc1C#N 95710267 VDAAYDPVNDLKLN-UHFFFAOYSA-N 161.204 2.387 30 50 AEEA O=CC1CC2(C1)CC21CCC1 1857781533 CXGDYGUQIPRWGI-UHFFFAOYSA-N 150.221 2.156 30 50 AEEA COCc1cc(C)nc(Cl)c1C#N 178855 GDXUBECJUMIXLN-UHFFFAOYSA-N 196.637 2.062 30 50 AEEA C[C@@]12C=CC(=O)C[C@H]1CC=CC2 1604436 HAJWWOSVOWYULL-MWLCHTKSSA-N 162.232 2.488 30 50 AEEA CCCCN(CC#N)CCCC 19735134 ZPVXOYNIUUYGQD-UHFFFAOYSA-N 168.284 2.412 30 50 AEEA in-vitro CN(CCC#N)Cc1ccccc1 55525042 PRTAQXYGPJREAD-UHFFFAOYSA-N 174.247 2.032 30 50 AEEA in-vitro O=C[C@@H]1[C@H]2CCCCC[C@H]21 250886565 WOLBYPMSYLMDRP-BRPSZJMVSA-N 138.210 2.012 30 50 AEEA CCOc1cccc(CC#N)c1 2565993 MBJQDUQVRZNFHX-UHFFFAOYSA-N 161.204 2.151 30 50 AEEA in-vitro CC1=C/C(=N\O)C[C@@H](C)C1 4765045 JUJKSXCZYPGETN-MXMZYCHESA-N 139.198 2.193 30 50 AEEA CC1=C[C@H](C)[C@H](C=O)[C@@H](C)C1 4826818 YJSUCBQWLKRPDL-GUBZILKMSA-N 152.237 2.424 30 50 AEEA endogenous,in-man C=CCOc1ccc(NC(C)=O)cc1 1685535 UVGQOPZEALYXKP-UHFFFAOYSA-N 191.230 2.210 30 50 AEEA CC(C)(C)/N=C(\S)NC(C)(C)C 5439444 LTMHEXFMSAISLN-UHFFFAOYSA-N 188.340 2.459 30 50 AEEA C=CC[C@H]1[C@@H](OC(C)(C)C)C[C@H]1O 1535639438 BTCSCRDLMPZUGU-BBBLOLIVSA-N 184.279 2.127 30 50 AEEA C[C@H]1C[C@H]1CCCC=O 1535688081 KRWXYIFAXTZWPZ-JGVFFNPUSA-N 126.199 2.012 30 50 AEEA C[C@@H](C#N)C(=O)c1ccccc1 394744 QSQMLMUBVHLHFM-QMMMGPOBSA-N 159.188 2.029 30 50 AEEA in-vitro C=C(C)COc1ccc(CO)cc1 19094088 ZSYFXNDASQMBGQ-UHFFFAOYSA-N 178.231 2.134 30 50 AEEA in-vitro Cc1ccc2cc(C#N)[nH]c2c1 83268870 AGPCANNPBDCGJS-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA N#C[C@H]1C[C@@H]1c1ccccc1 1621000 KUCVFITUDJTMFA-NXEZZACHSA-N 143.189 2.314 30 50 AEEA C=CCNC(=O)/C=C/c1ccccc1 1853897 KWZIWIMLISNPLJ-CMDGGOBGSA-N 187.242 2.002 30 50 AEEA N#Cc1ccccc1Oc1ncccn1 44137202 FRWUEBTUQAVVSC-UHFFFAOYSA-N 197.197 2.141 30 50 AEEA in-vitro C=C1CCCCCC[C@H]1O 45070357 YKHHIMQHDWJSRT-SECBINFHSA-N 140.226 2.258 30 50 AEEA C[C@@]1(c2cc(F)ccc2F)O[C@@H]1C#N 306476074 YMKJOIQBGAKZHM-ZJUUUORDSA-N 195.168 2.102 30 50 AEEA Cc1c(F)ccc(C#N)c1F 12359161 GNNHZCHETSTMOG-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA in-vitro N#CCC(=O)c1ccc(F)c(F)c1 2579778 DMUDJKIYVPYJNF-UHFFFAOYSA-N 181.141 2.061 30 50 AEEA c1ccc(/N=C2\NCCCS2)cc1 5772536 ITMNZMYUHMBOMN-UHFFFAOYSA-N 192.287 2.401 30 50 AEEA in-vitro CC#Cc1ccccc1 1845841 GHUURDQYRGVEHX-UHFFFAOYSA-N 116.163 2.058 30 50 AEEA in-vitro N#CCC1CCCCC1 2522705 MXFPACNADGXIQY-UHFFFAOYSA-N 123.199 2.480 30 50 AEEA in-vitro N#Cc1nc(Cl)sc1Cl 34318664 XDJYKTMDZSUEEP-UHFFFAOYSA-N 179.031 2.322 30 50 AEEA in-vitro C=CCOP(=O)(OCC)OCC 1602865 GZNJJEODYYLYSA-UHFFFAOYSA-N 194.167 2.370 30 50 AEEA in-vitro C=C[C@@H](C)C[C@@H](C)/C=C\CO 43763321 ZZSHUIVMMUMNFT-LZCWPNQWSA-N 154.253 2.383 30 50 AEEA CC(C)O[C@@H](C=O)c1ccccc1 137677251 CYGCSYIVBPFMHP-NSHDSACASA-N 178.231 2.352 30 50 AEEA in-vitro N#Cc1ccc(Cl)c([N+](=O)[O-])c1 60125 XBLPHYSLHRGMNW-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro COc1ccc(Cl)c(C#N)c1 34349376 XRFLIOTUXVHNIB-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro N#CCSc1ccc([N+](=O)[O-])cc1 35286547 KWNGHNPPHNKAIG-UHFFFAOYSA-N 194.215 2.210 30 50 AEEA CCC[C@@H](O)C#Cc1ccccc1 2508091 HGUIQUVFOYTZNC-GFCCVEGCSA-N 174.243 2.199 30 50 AEEA C#CCC(C)(C)C1=CCCC1=O 45028102 GCXFQAMKUCWARC-UHFFFAOYSA-N 162.232 2.325 30 50 AEEA Cc1ccccc1CS 4282647 PJUDFYDAJBQPEA-UHFFFAOYSA-N 138.235 2.425 30 50 AEEA CC(C)=CC(=O)C=C(C)C 5158492 MTZWHHIREPJPTG-UHFFFAOYSA-N 138.210 2.488 30 50 AEEA in-vitro CC1=C2CCC[C@@]2(C)CC1=O 38362904 RDLZLQQQLKFYOQ-JTQLQIEISA-N 150.221 2.466 30 50 AEEA CC1(C)/C(=N/N)[C@@]2(C)CC[C@@H]1C2 43762754 PAIGSTUXPRTCJO-KZLAEJLNSA-N 166.268 2.147 30 50 AEEA C=CCOc1ccccc1CNCC 16681761 LZCOKEQOUABIRT-UHFFFAOYSA-N 191.274 2.361 30 50 AEEA in-vitro [N-]=[N+]=Nc1ccc(C(=O)C=O)cc1 13543696 CALIYGMVBZRBLV-UHFFFAOYSA-N 175.147 2.010 30 50 AEEA in-vitro C=CC[S@@](=N)(=O)c1ccccc1 196639600 SCXLFLUKHWQGQD-GFCCVEGCSA-N 181.260 2.278 30 50 AEEA C[C@]1(c2cc(F)ccc2F)O[C@@H]1C#N 306476071 YMKJOIQBGAKZHM-NXEZZACHSA-N 195.168 2.102 30 50 AEEA Cc1cccc(C)c1C#N 1638478 QSACPWSIIRFHHR-UHFFFAOYSA-N 131.178 2.175 30 50 AEEA in-vitro Cc1cc(C)c(/C=[N+](\C)[O-])c(C)c1 3121814 QUPJCNAAUMBYDK-KPKJPENVSA-N 177.247 2.171 30 50 AEEA N#Cc1ccc([N+](=O)[O-])c(Cl)c1 34413757 PAIMPYHIOHKXAT-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA N#Cc1c(F)cc(F)c(F)c1F 114634067 XWDUWNUFQUWNNG-UHFFFAOYSA-N 175.084 2.115 30 50 AEEA C=C(C)[C@@H]1CC=C(C)C(=O)[C@@H]1C#N 210571168 DJAKMCJQJRMQLC-VHSXEESVSA-N 175.231 2.238 30 50 AEEA C#CCCCCC(=O)N1CCCCC1 222813808 DBQKUTLBNPNRHQ-UHFFFAOYSA-N 193.290 2.193 30 50 AEEA C=CCNCCc1ccccc1 10475013 JFKVJZFRJPBLIP-UHFFFAOYSA-N 161.248 2.005 30 50 AEEA C=CCOc1cc(C)nc(Cl)n1 52813900 INSFOFSCXRHUEA-UHFFFAOYSA-N 184.626 2.003 30 50 AEEA in-vitro N#CCC(=O)c1cccc(Cl)c1 95614 IUDFNNHFARLIPF-UHFFFAOYSA-N 179.606 2.436 30 50 AEEA in-vitro N#Cc1ccccc1OC(F)F 153337 PLTPHQGNJHSBBR-UHFFFAOYSA-N 169.130 2.160 30 50 AEEA in-vitro C=C(C)C(=O)OC1CCCCC1 1577281 OIWOHHBRDFKZNC-UHFFFAOYSA-N 168.236 2.438 30 50 AEEA in-vitro N#Cc1ccc(C(F)(F)F)c(N)c1 64034010 CZYRYIJZODSVTK-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro C#Cc1ccc(Cl)s1 85224585 SDVHVQQEXLEHGZ-UHFFFAOYSA-N 142.610 2.383 30 50 AEEA in-vitro C=C(C)C(=O)O[C@@H]1C[C@H]2C=C[C@H]1C2 102310684 WQUQEEUZJPRILD-LPEHRKFASA-N 178.231 2.070 30 50 AEEA in-vitro Cc1ccccc1[C@]1(C)O[C@H]1C#N 306522434 LTRVWDZYOJCFNV-QWRGUYRKSA-N 173.215 2.133 30 50 AEEA N#CCSc1ccccc1 2163480 QMJWPWCKRKHUNY-UHFFFAOYSA-N 149.218 2.302 30 50 AEEA in-vitro CC(C)/N=C/c1ccc2c(c1)OCO2 39246265 GUNYIXBGKOQIBY-WUXMJOGZSA-N 191.230 2.243 30 50 AEEA C=C(C)[C@H]1CC(=O)[C@H](C)[C@@H](C#N)C1 169382622 VRUMBVSOGMYXKH-OPRDCNLKSA-N 177.247 2.317 30 50 AEEA C=CCNCc1ccsc1 6855953 JWNAGJXSWZTSAV-UHFFFAOYSA-N 153.250 2.024 30 50 AEEA in-vitro N#Cc1cccn1-c1ccccc1 14684348 GMWXPHUWGALEIF-UHFFFAOYSA-N 168.199 2.349 30 50 AEEA in-vitro COc1cccc([C@@H](C#N)CC#N)c1 393400 NGFCCBPURFJNTA-SNVBAGLBSA-N 186.214 2.216 30 50 AEEA N#CCCc1cccs1 41125611 JFHPLEDDWFMRMW-UHFFFAOYSA-N 137.207 2.204 30 50 AEEA in-vitro N#Cc1c[nH]c2ccnc(Cl)c12 95910901 GEGJRCQVVJPQOC-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA C=CC[Si](C)(C)c1ccccn1 170161624 WIRIPVDRZYVTCG-UHFFFAOYSA-N 177.323 2.183 30 50 AEEA CO[C@]12C[C@]3(C#N)[C@H](c4ccccc41)[C@H]23 257357829 QFZJFKGCPMXUPG-MROQNXINSA-N 197.237 2.169 30 50 AEEA CN(C)CC[C@@H](C#N)c1ccccc1 2005693 SKQMIWWQYUSWFP-LBPRGKRZSA-N 188.274 2.245 30 50 AEEA C#C[C@@]1(O)[C@H](C)CCCC1(C)C 3107560 PQQOQXUYGRGYEK-MWLCHTKSSA-N 166.264 2.197 30 50 AEEA C=CCSCC=C 1531083 UBJVUCKUDDKUJF-UHFFFAOYSA-N 114.213 2.092 30 50 AEEA endogenous,in-man C[C@@H](CC=O)c1ccccc1 2167040 MYHGOWDLVRDUFA-VIFPVBQESA-N 148.205 2.379 30 50 AEEA SCCc1ccccc1 4271722 ZMRFRBHYXOQLDK-UHFFFAOYSA-N 138.235 2.159 30 50 AEEA endogenous,in-man CN(C)Cc1c[nH]c2cccc(C#N)c12 35635652 JYFDGWJTTRDEMP-UHFFFAOYSA-N 199.257 2.101 30 50 AEEA N#Cc1ccc(NCc2ccco2)cn1 124923181 SFCZZAGFKJXVJC-UHFFFAOYSA-N 199.213 2.158 30 50 AEEA CC[C@@H](C)NCC#Cc1ccccc1 8325853 MESKFQRMVQNQKD-GFCCVEGCSA-N 187.286 2.426 30 50 AEEA C#Cc1cccc2cnccc12 19722015 YBMNMHGMBRLEPL-UHFFFAOYSA-N 153.184 2.216 30 50 AEEA in-vitro Cc1ccnc(C(C)(C)C#N)c1 34278594 DIUDJVQMGJPEAJ-UHFFFAOYSA-N 160.220 2.191 30 50 AEEA O=CCC1CCC(F)(F)CC1 114927693 MTHWYKRAEGEWAH-UHFFFAOYSA-N 162.179 2.401 30 50 AEEA C#CCCCC(=O)OC(C)(C)C 141681317 XHIPLUJCVSEZTN-UHFFFAOYSA-N 168.236 2.132 30 50 AEEA C#C[C@H]1CCN(Cc2ccccc2)C1 238005033 KLZFBGALELQEMD-LBPRGKRZSA-N 185.270 2.142 30 50 AEEA in-vitro C=C(C)c1ccc(C(=O)O)cc1N 393484 MCQCGRGTNVTFSS-UHFFFAOYSA-N 177.203 2.000 30 50 AEEA N#CCCC(=O)c1cccs1 2170146 RBXODNAKMVHVJB-UHFFFAOYSA-N 165.217 2.235 30 50 AEEA C=C(C)[C@@H]1C=C[C@](C)(O)CC1 5158398 MKPMHJQMNACGDI-ZJUUUORDSA-N 152.237 2.280 30 50 AEEA biogenic,in-vitro N#Cc1cccc(Cl)c1C#N 33606617 LZQGFZMYLYXXHI-UHFFFAOYSA-N 162.579 2.083 30 50 AEEA in-vitro C[C@H](/C=N/O)c1ccccc1 13537506 SETWHVMVMWYJQA-RYGSOJJJSA-N 149.193 2.250 30 50 AEEA C=C[C@@]12CC[C@H]3C[C@H]1CO[C@@]3(OC)C2 257358384 TXZPLKBLOCDDAU-BJDJZHNGSA-N 194.274 2.352 30 50 AEEA CS/C=C1\CCCCC1=O 2519738 VPPFTOSULQOOLD-VOTSOKGWSA-N 156.250 2.376 30 50 AEEA C#CCn1cnc2cc(C)c(C)cc21 5234768 MVASOUNOZMEWRN-UHFFFAOYSA-N 184.242 2.286 30 50 AEEA in-vitro C=C(Cl)CCC(=O)OCC 43199349 RIDHJLXDPBJKPV-UHFFFAOYSA-N 162.616 2.082 30 50 AEEA C=CCOc1cccc(O)c1C(C)=O 2144776 TUAFVBIAAHXPIS-UHFFFAOYSA-N 192.214 2.160 30 50 AEEA in-vitro CCCCCCC#CN1CCOC1=O 257354848 BTHIUMSDMJKIBP-UHFFFAOYSA-N 195.262 2.370 30 50 AEEA N#Cc1ccc(OC(F)F)cc1 167211 OGMOYCCCAFJQKI-UHFFFAOYSA-N 169.130 2.160 30 50 AEEA in-vitro C=CC[n+]1c(C)cc(C)cc1C 5378604 JPJXGKZJANAMON-UHFFFAOYSA-N 162.256 2.085 30 50 AEEA N#Cc1ccc(OC2CCCC2)nc1 19483661 CPMLUNYPHAGCDE-UHFFFAOYSA-N 188.230 2.275 30 50 AEEA in-vitro C[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 12336813 QCPKTMACPAKCKW-ZETCQYMHSA-N 176.175 2.222 30 50 AEEA in-vitro N#CCCNCc1ccc(Cl)cc1 19943309 CCDBUCXBPBMKJY-UHFFFAOYSA-N 194.665 2.343 30 50 AEEA in-vitro CC[C@H](C)Nc1ccc(C#N)nc1 131876249 IEOQNVMIKNAPTN-QMMMGPOBSA-N 175.235 2.164 30 50 AEEA COc1cc(CC#N)ccc1C 1734342 KRGXHARSWLJCGO-UHFFFAOYSA-N 161.204 2.070 30 50 AEEA in-vitro SC1CCCCC1 4619394 CMKBCTPCXZNQKX-UHFFFAOYSA-N 116.229 2.249 30 50 AEEA in-vitro CCC(CC)(CC)NCCC#N 83388145 ZDAJWDZEBVYYPU-UHFFFAOYSA-N 168.284 2.458 30 50 AEEA O=C(O)c1cccc(C#CC2CC2)c1 165102497 AIUVNXHBJXGVNZ-UHFFFAOYSA-N 186.210 2.146 30 50 AEEA [N-]=[N+]=Nc1ccc(CC(=O)O)cc1 17187284 QQKGBHZEZFKXGO-UHFFFAOYSA-N 177.163 2.256 30 50 AEEA CCCCCCCCN 1529275 IOQPZZOEVPZRBK-UHFFFAOYSA-N 129.247 2.306 30 50 AEEA in-vitro N#Cc1ccc(C(F)(F)F)cc1O 67172333 PAPVLFUKQAEGSC-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA in-vitro CC1(C)C[C@]2(C=CC(=O)CC2)CCO1 374896 GVGDFGBIVDIXPA-LBPRGKRZSA-N 194.274 2.481 30 50 AEEA COc1ccccc1SCC#N 39269892 BDGWTXDZJOXGAG-UHFFFAOYSA-N 179.244 2.311 30 50 AEEA C/C=C/C(=O)c1ccc(OC)cc1 100339758 HIRLSMKURCRARB-ONEGZZNKSA-N 176.215 2.454 30 50 AEEA C=C[C@@H](O)C1CCCCC1 2169742 BRZYZVXYQQVYNT-SECBINFHSA-N 140.226 2.114 30 50 AEEA in-vitro N#Cc1ccc2scnc2c1 39184747 KZWJUNXNZGVOOS-UHFFFAOYSA-N 160.201 2.168 30 50 AEEA in-vitro N#CC1(c2ccccc2)CC1 1715154 ZHFURHRJUWYDKG-UHFFFAOYSA-N 143.189 2.242 30 50 AEEA in-vitro C#C[C@]1(O)[C@@H](C)CCCC1(C)C 5225531 PQQOQXUYGRGYEK-ONGXEEELSA-N 166.264 2.197 30 50 AEEA CCCNC1=CC(=O)CC(C)(C)C1 4649903 ATHWBNYVLNKQJY-UHFFFAOYSA-N 181.279 2.259 30 50 AEEA CCON=C1CCCCC1 4775497 PBVMGBAZXXCHTA-UHFFFAOYSA-N 141.214 2.343 30 50 AEEA CS/C(=N\C#N)N[C@H](C)C(C)(C)C 6416276 CBEKDJRSIZNOPX-SSDOTTSWSA-N 199.323 2.211 30 50 AEEA COC1CC2(CCC(C=O)CC2)C1 1857784625 RSEVBXABWXUGGA-UHFFFAOYSA-N 182.263 2.171 30 50 AEEA [N-]=[N+]=Nc1ccccc1C=O 136255800 NHTBGGLIHGSCFA-UHFFFAOYSA-N 147.137 2.441 30 50 AEEA N#CC1(N2CCCCC2)CCCC1 19935158 WIHSUXKKKPZENV-UHFFFAOYSA-N 178.279 2.309 30 50 AEEA in-vitro C=C(F)CC(F)(F)F 63148589 DKSYJUPLFVFPRY-UHFFFAOYSA-N 128.068 2.422 30 50 AEEA in-vitro N#C[C@@H]1CC12CCCCC2 71773673 LOJIHOFTODDKQS-QMMMGPOBSA-N 135.210 2.480 30 50 AEEA CC(=O)c1ccc(OCC#N)c(C)c1 113918036 XTAUXNZOWCIYLM-UHFFFAOYSA-N 189.214 2.100 30 50 AEEA C[C@@]1(C2CCCCC2)O[C@H]1C#N 306966232 OFNFUCQZTQWIGK-UWVGGRQHSA-N 165.236 2.248 30 50 AEEA C#Cc1c(OC)ccc(Cl)c1F 1875329989 NLDGFIZRANEKOW-UHFFFAOYSA-N 184.597 2.469 30 50 AEEA CSc1ccccc1C#N 153313 PXZSANDJGNKIIA-UHFFFAOYSA-N 149.218 2.280 30 50 AEEA CCO/C=N/c1ccccc1 2584501 DRDBNKYFCOLNQO-CSKARUKUSA-N 149.193 2.383 30 50 AEEA in-vitro C=C1C[C@H]1C1(O)CCCCC1 3106352 OSZRZYCSVAQQJF-SECBINFHSA-N 152.237 2.258 30 50 AEEA CCC[C@H](C)S 5298828 QUSTYFNPKBDELJ-YFKPBYRVSA-N 104.218 2.105 30 50 AEEA endogenous,in-man CCO/C=C/C(=O)[C@H](C)CC 307931838 VPKKHVIHFXXCRD-HYDMIIDASA-N 156.225 2.152 30 50 AEEA C=CCO[C@@H]1CCC=CCCC1=O 43199235 LTHPPOXLWKZGLE-LLVKDONJSA-N 180.247 2.257 30 50 AEEA CON=C1C2CC3CC(C2)CC1C3 115965873 COPCAFIJNXYIDM-UHFFFAOYSA-N 179.263 2.445 30 50 AEEA N#CCc1coc2ccccc12 2578096 BJAJKVZABJZXDC-UHFFFAOYSA-N 157.172 2.499 30 50 AEEA in-vitro C=CC[C@@H](CCC)C(=O)O 5841914 UMYDNZXEHYSVFY-ZETCQYMHSA-N 142.198 2.063 30 50 AEEA endogenous,world N#Cc1ccc2nc(Cl)[nH]c2c1 34638693 WDWQXEUJKGYNPZ-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro C=C(C)c1nccs1 2567304 UDPXHYZDXKTGLD-UHFFFAOYSA-N 125.196 2.176 30 50 AEEA in-vitro CC(F)(F)CCCC#N 62715265 LWXATOWVEUZBGA-UHFFFAOYSA-N 133.141 2.335 30 50 AEEA CCc1[nH]c(C#N)cc1Br 72109535 OIGZTXWITAYCFZ-UHFFFAOYSA-N 199.051 2.211 30 50 AEEA in-vitro C/C(=C\C(=O)c1ccccc1)N(C)C 100029223 RSGGMKGUTCCVDV-MDZDMXLPSA-N 189.258 2.335 30 50 AEEA in-vitro SCc1ccccc1 3873647 UENWRTRMUIOCKN-UHFFFAOYSA-N 124.208 2.116 30 50 AEEA endogenous,in-man N#C[C@H]1CC12CCCCC2 71773672 LOJIHOFTODDKQS-MRVPVSSYSA-N 135.210 2.480 30 50 AEEA N#Cc1cccnc1-c1ccc(N)cc1 74938345 DDJPEVWWWXBZNH-UHFFFAOYSA-N 195.225 2.202 30 50 AEEA CC1=CC(=O)C=CCC=CC1 254705395 YEMWBLZEACIMTI-UHFFFAOYSA-N 148.205 2.408 30 50 AEEA O=C1C=C(O)[C@@H]2[C@H]1[C@H]1CC[C@H]2C12CC2 257357498 OILDTODYHJQHNG-CCXSFMJYSA-N 190.242 2.063 30 50 AEEA C#CCCC(C)C 2168568 HKNANEMUCJGPMS-UHFFFAOYSA-N 96.173 2.056 30 50 AEEA in-vitro C=CC[C@H](O)C(Cl)(Cl)Cl 34599564 QLDZQNAMMBMMCT-BYPYZUCNSA-N 189.469 2.294 30 50 AEEA Cc1ccc([C@]2(C)O[C@H]2C#N)s1 306962183 BFRHDJFVJJHARF-IONNQARKSA-N 179.244 2.194 30 50 AEEA Cc1ccc([C@@]2(C)O[C@H]2C#N)s1 306962175 BFRHDJFVJJHARF-CBAPKCEASA-N 179.244 2.194 30 50 AEEA N#CCC1=CCCC1 2242643 LEWVRAMNXUWSFL-UHFFFAOYSA-N 107.156 2.010 30 50 AEEA in-vitro C=CCNCc1ccccc1F 2522941 RGDCZMFWIHVJIT-UHFFFAOYSA-N 165.211 2.101 30 50 AEEA in-vitro N#Cc1ccc(C2CC2)s1 238574045 ARMYHZYGRSHBQV-UHFFFAOYSA-N 149.218 2.497 30 50 AEEA COc1ccc(/C=C/C(C)=O)cc1 162361 WRRZKDVBPZBNJN-ONEGZZNKSA-N 176.215 2.297 30 50 AEEA biogenic,in-vitro N#Cc1cccc2[nH]ccc12 2517173 CEUFGDDOMXCXFW-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA in-vitro SCC1CCCCC1 19415887 FWBXAOOHHILPSR-UHFFFAOYSA-N 130.256 2.497 30 50 AEEA in-vitro COc1ccc2cc(C#N)oc2c1 39375268 PEZFGESNNLURKY-UHFFFAOYSA-N 173.171 2.313 30 50 AEEA C#C[C@H](C)CCC 71769502 OPZULQHRFNTFFZ-ZETCQYMHSA-N 96.173 2.056 30 50 AEEA N#CCSc1nc2ccccc2[nH]1 11535634 WJJCHVFVLQOWDX-UHFFFAOYSA-N 189.243 2.179 30 50 AEEA CSc1ccc(CC#N)cc1 2574343 BBPATOFBGJZMJM-UHFFFAOYSA-N 163.245 2.475 30 50 AEEA in-vitro N#Cc1ccc2ncccc2c1 32192127 NIFLNJLWZZABMI-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA CC(C)(CCC#N)CNCC(F)F 229700745 JSTVOKRHBRGYKC-UHFFFAOYSA-N 190.237 2.171 30 50 AEEA N#CCC1=CCCCC1 3860303 OYEXEQFKIPJKJK-UHFFFAOYSA-N 121.183 2.400 30 50 AEEA in-vitro Fc1ccc([C@@H]2CO2)cc1F 22165566 UNJRFWWCCAHSRB-QMMMGPOBSA-N 156.131 2.036 30 50 AEEA in-vitro C=CC(=O)NCC1CCC(=C)CC1 724451499 NAGYUXKYKLTJBD-UHFFFAOYSA-N 179.263 2.035 30 50 AEEA C=C(C)[C@@H](O)CCCC 2164160 PPKIOOAEILEYAF-QMMMGPOBSA-N 128.215 2.114 30 50 AEEA O/N=C(\Cl)c1ccc(F)cc1 4716327 VDMJCVUEUHKGOY-YFHOEESVSA-N 173.574 2.200 30 50 AEEA in-vitro N#Cc1c(N)sc2c1CCCC2 126979 ADHVMGAFAKSNOM-UHFFFAOYSA-N 178.260 2.081 30 50 AEEA biogenic,in-vitro C#CC1CCC(F)(F)CC1 710676191 HURUIJYAMCRJOC-UHFFFAOYSA-N 144.164 2.445 30 50 AEEA COC1=CC(=O)[C@@]2(C)CC=CC[C@H]2C1 398896 KXJPPFUIQYIVBL-CABZTGNLSA-N 192.258 2.462 30 50 AEEA O=C[C@H]1CC12CCC(F)(F)CC2 1772717482 GKXDYWHIYFKCNL-SSDOTTSWSA-N 174.190 2.401 30 50 AEEA CC1=C[C@H](C)[C@H](C=O)[C@H](C)C1 4826812 YJSUCBQWLKRPDL-AEJSXWLSSA-N 152.237 2.424 30 50 AEEA endogenous,in-man C=C[C@H]1CCN(C(=O)OC(C)(C)C)C1 66055097 AIWBHQLFAKSRML-VIFPVBQESA-N 197.278 2.429 30 50 AEEA in-vitro CC1(C)[C@H]2C[C@@H]3O[C@]3(C)[C@@H]1C2 4261876 NQFUSWIGRKFAHK-BDNRQGISSA-N 152.237 2.210 30 50 AEEA O/N=C1/CCCc2sccc21 5014947 JMHKHQOLEYGCNT-CLFYSBASSA-N 167.233 2.263 30 50 AEEA in-vitro C=CC[C@H](CCC)C(=O)O 2570839 UMYDNZXEHYSVFY-SSDOTTSWSA-N 142.198 2.063 30 50 AEEA endogenous,world C=CCOC(=O)OC(C)(C)C 21987979 SWQDRYKDDGFPLL-UHFFFAOYSA-N 158.197 2.124 30 50 AEEA in-vitro C[C@]1(C2CCCCC2)O[C@H]1C#N 306966234 OFNFUCQZTQWIGK-VHSXEESVSA-N 165.236 2.248 30 50 AEEA C=C1CCN(Cc2cnsc2)CC1 1875291613 GCJRJKZUVRFIHH-UHFFFAOYSA-N 194.303 2.295 30 50 AEEA CCCCCCC#CC(=O)OC 1698309 NTLJTUMJJWVCTL-UHFFFAOYSA-N 168.236 2.133 30 50 AEEA endogenous,in-man Cc1ccc(NC(=O)CC#N)cc1C 3226867 IOVXWSZVPOVPHF-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro C[Si](C)(C)C1=CCCC1=O 196413482 JREFDYKOYRJDQC-UHFFFAOYSA-N 154.285 2.153 30 50 AEEA CCc1ccccc1NC(=O)CC#N 145739 PSOHSBHEQKJRIQ-UHFFFAOYSA-N 188.230 2.101 30 50 AEEA in-vitro N#Cc1ccccc1OC(F)(F)F 167122 ACNBBQGAWMHXLA-UHFFFAOYSA-N 187.120 2.457 30 50 AEEA N#Cc1cc(C2CC2)cs1 238572696 NKBXVDDLCDSWCL-UHFFFAOYSA-N 149.218 2.497 30 50 AEEA C[C@]1(c2c(F)cccc2F)O[C@@H]1C#N 306632030 OMVUXYWDGOJWPC-SCZZXKLOSA-N 195.168 2.102 30 50 AEEA Cc1ccc(F)c(F)c1C#N 225357419 RLISYLDOVHWOLY-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA CCOc1ccc(F)c(F)c1C#N 307337058 ONRJFNBWFGFTQG-UHFFFAOYSA-N 183.157 2.235 30 50 AEEA CC(=O)c1ccc(C#N)cc1C 39070791 DTUONBOOEDSKPB-UHFFFAOYSA-N 159.188 2.069 30 50 AEEA C=CCSc1ncc(Cl)cn1 39349061 HDYNRKFUDRJQCS-UHFFFAOYSA-N 186.667 2.408 30 50 AEEA Cc1cc(C#N)ncc1Br 66322843 JAQLBGDFALXUMV-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C=C(C)C#C[Si](C)(C)C 169747065 HRGBALJHGYAWBL-UHFFFAOYSA-N 138.286 2.443 30 50 AEEA O=C(O)c1ccc(C#CC2CC2)cc1 114858271 QVHNCHIMHYMBHR-UHFFFAOYSA-N 186.210 2.146 30 50 AEEA C=CCOc1cccc(C(C)=O)c1 1556232 ZRQBATDEVGIBAS-UHFFFAOYSA-N 176.215 2.454 30 50 AEEA in-vitro CC1=C(C)[C@@H](C)[C@H](C)C1=O 2003171 ARUAYSANQMCCEN-VDTYLAMSSA-N 138.210 2.178 30 50 AEEA in-vitro N#CCSc1ccc(F)cc1 2556118 BJFLSPRQCMQITC-UHFFFAOYSA-N 167.208 2.441 30 50 AEEA C#C[C@]1(O)C[C@H](C(C)C)CC[C@H]1C 216140682 UNRBJPBPUKHWSA-UTUOFQBUSA-N 180.291 2.443 30 50 AEEA biogenic SCc1cc(-c2ccco2)on1 725253142 XKZYEGUTAGRHLN-UHFFFAOYSA-N 181.216 2.364 30 50 AEEA N#CCC(=O)Nc1cccc(Cl)c1 43859 JHGKLDZJAHYJIP-UHFFFAOYSA-N 194.621 2.192 30 50 AEEA in-vitro SCc1cccs1 153137 GCZQHDFWKVMZOE-UHFFFAOYSA-N 130.237 2.178 30 50 AEEA endogenous,in-man C/C=C/C(=O)c1ccccc1 5606416 FUJZJBCWPIOHHN-QHHAFSJGSA-N 146.189 2.445 30 50 AEEA in-vitro Cc1ccc([C@]2(C)O[C@@H]2C#N)cc1C 307375819 ZRHSHJOTBXLXQD-NEPJUHHUSA-N 187.242 2.441 30 50 AEEA C=C(C)C(=C)C 1648160 SDJHPPZKZZWAKF-UHFFFAOYSA-N 82.146 2.139 30 50 AEEA in-vitro N#Cc1ccc2ncnc(Cl)c2c1 34076197 PQJUTOVJNYMGFX-UHFFFAOYSA-N 189.605 2.155 30 50 AEEA in-vitro CNC12C[C@H]3C[C@@H](CC(S)(C3)C1)C2 100493683 YOIKWIHPRGBBFX-NKVNRFPTSA-N 197.347 2.227 30 50 AEEA CCOC1(C=O)CCC(F)(F)CC1 688349603 JVODXUKEMZCMBR-UHFFFAOYSA-N 192.205 2.170 30 50 AEEA C=C(C)COc1ccccc1C=O 1599414 JMLPELHBEYALIG-UHFFFAOYSA-N 176.215 2.454 30 50 AEEA in-vitro Cc1ccc(F)cc1CC#N 2382206 COYCHCYSJJZVQR-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA in-vitro C=CCc1cccc(C(=O)O)c1 2579558 NJACFYHMOFEZDU-UHFFFAOYSA-N 162.188 2.113 30 50 AEEA CC(C)[C@@H]1C=CC(=O)[C@H](C)C1 32135339 LQKVFPXPTBYWLF-RKDXNWHRSA-N 152.237 2.424 30 50 AEEA N#Cc1ncccc1-c1ccc(O)cc1 95495518 OGZWLRZYPIHSME-UHFFFAOYSA-N 196.209 2.326 30 50 AEEA CC1(C)CC(=O)C=C(N2CCCC2)C1 4309759 QUHBLBSKTJUBLZ-UHFFFAOYSA-N 193.290 2.355 30 50 AEEA Fc1ccc(CS)cc1 404004 RKTRHMNWVZRZJQ-UHFFFAOYSA-N 142.198 2.256 30 50 AEEA in-vivo CCCCCC#N 1587817 AILKHAQXUAOOFU-UHFFFAOYSA-N 97.161 2.090 30 50 AEEA COc1cccc2c1[C@@H]1C[C@]3(C#N)[C@H]2[C@H]13 257358329 SUWKNWGRJKHXTG-MHNYQROPSA-N 197.237 2.419 30 50 AEEA Cc1c(Br)cncc1C#N 3881113 HVTPZRXPJRFYHD-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C#Cc1ccnc2ccccc12 72187478 WRBICKOJBASGMC-UHFFFAOYSA-N 153.184 2.216 30 50 AEEA C=CC(C)(Cl)Cl 138181468 DKJAIBUVFONHMK-UHFFFAOYSA-N 124.998 2.366 30 50 AEEA C=CCOCC(F)(F)C(F)(F)F 2576922 OPCORXXVBOOEID-UHFFFAOYSA-N 190.111 2.387 30 50 AEEA in-vitro CCC(C#CC(=O)OC)(CC)CC 44559768 BGTNZCYAFRSICW-UHFFFAOYSA-N 182.263 2.379 30 50 AEEA C#Cc1ccc(NC(=O)C(C)C)cc1 135776875 LWHUPEMGXIYANG-UHFFFAOYSA-N 187.242 2.262 30 50 AEEA CC[C@H](C)NCC#Cc1ccccc1 8326604 MESKFQRMVQNQKD-LBPRGKRZSA-N 187.286 2.426 30 50 AEEA CC(C)(C=O)Oc1ccccc1 140161717 QTZNKWWKZJJGRA-UHFFFAOYSA-N 164.204 2.043 30 50 AEEA in-vitro C[C@]1(c2ccc(F)cc2F)O[C@@H]1C#N 306278338 GLTUNHBWQWGQGC-NXEZZACHSA-N 195.168 2.102 30 50 AEEA C=CCc1ccccc1OCCNC 5879391 BHPZRGLXNOJIKL-UHFFFAOYSA-N 191.274 2.013 30 50 AEEA in-vitro CC(C)(CC=O)C1CC1 118667980 FBGZQHRFVCVHSZ-UHFFFAOYSA-N 126.199 2.012 30 50 AEEA COC1=CC(=O)[C@]2(C)CC=CC[C@@H]2C1 398899 KXJPPFUIQYIVBL-BXKDBHETSA-N 192.258 2.462 30 50 AEEA N#Cc1c(F)cc(F)cc1Cl 67794421 BRCVOCMSJCGQNR-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA Cc1ccc2c(c1)/C(=N\O)CC2 129449158 XJCLZLHMLPUOAD-KHPPLWFESA-N 161.204 2.120 30 50 AEEA C[C@@]1(c2ccc(Cl)cc2)O[C@H]1C#N 307394140 MWMTUAAXTBPABT-UWVGGRQHSA-N 193.633 2.478 30 50 AEEA CC1(C)[C@H]2C[C@@H]1[C@]1(C)O[C@@H]1C2 968145 NQFUSWIGRKFAHK-OORONAJNSA-N 152.237 2.210 30 50 AEEA biogenic,in-vitro N#CCCCCOCCCCC#N 1666667 SZJIJFGCCHVXPQ-UHFFFAOYSA-N 180.251 2.391 30 50 AEEA N#CCC[C@H]1CCCCC12OCCO2 4798042 KRKUUPNQMFOLNQ-SNVBAGLBSA-N 195.262 2.223 30 50 AEEA Cc1cc(F)ccc1C#N 2384032 BJBXUIUJKPOZLV-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro N#C[C@@H]1CN1c1ccccc1Cl 44125392 BXMOAZUEAYITRO-OJYJAAIMSA-N 178.622 2.052 30 50 AEEA C=C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 66351291 AIWBHQLFAKSRML-SECBINFHSA-N 197.278 2.429 30 50 AEEA S[C@H]1CCc2ccccc2C1 37460377 HWUAXZJWUTXYTF-JTQLQIEISA-N 164.273 2.474 30 50 AEEA C=CCCNCCc1ccccc1 70591369 NYLQOUGTTNYEIE-UHFFFAOYSA-N 175.275 2.395 30 50 AEEA Cc1cc(Cl)nc(C)c1C#N 72109524 CXHZBZISUMOZPW-UHFFFAOYSA-N 166.611 2.224 30 50 AEEA in-vitro Cc1nn(CCC#N)c(C)c1Cl 2537048 BCHICLJPVCNIJC-UHFFFAOYSA-N 183.642 2.067 30 50 AEEA in-vitro CCCCCCC#CC(=O)O 1701842 ZAWLBSATNLQTON-UHFFFAOYSA-N 154.209 2.045 30 50 AEEA in-vitro Cc1cc(F)cc(CC#N)c1F 263623130 DWNZUVQMDZENNP-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA CO/C=N/c1c(F)cccc1F 1775973566 USUMJXKXTBENEC-VZUCSPMQSA-N 171.146 2.271 30 50 AEEA C#C[C@@H](CCC)NC(=O)CCCC 170611752 NVMRECYNRMWBIZ-JTQLQIEISA-N 181.279 2.095 30 50 AEEA C=CC[C@@]1(C)C(=O)C=C[C@@H]1C 2173605 PKTWPJBPAQOWTD-WCBMZHEXSA-N 150.221 2.344 30 50 AEEA Cc1cc(C#N)c(C(F)(F)F)o1 43179061 ZFKFQTLEWGHSMX-UHFFFAOYSA-N 175.109 2.479 30 50 AEEA in-vitro COc1ccc(Cl)cc1C#N 157124 LREABOKKLIVXNA-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro CC#CCN(C(C)C)C(C)C 1666131 NAQQUBQRPDVKSR-UHFFFAOYSA-N 153.269 2.129 30 50 AEEA CC(=O)c1ccc(C#N)c(C)c1 35604910 LWNRBRVWBVQQIF-UHFFFAOYSA-N 159.188 2.069 30 50 AEEA C#Cc1ccc(-c2cnco2)cc1 12370163 CYRYZDZQFDRTHD-UHFFFAOYSA-N 169.183 2.323 30 50 AEEA in-vitro C=CC[C@H]1C=CC[C@@H](CC=C)N1 1233441 GAYQJEALDMVJON-WDEREUQCSA-N 163.264 2.425 30 50 AEEA COc1cccc(Cl)c1C#N 394832 YRGCKBHUZNQXEL-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro N#Cc1csc(Br)c1 34497611 SXWMTJRCGWONCL-UHFFFAOYSA-N 188.049 2.382 30 50 AEEA in-vitro C=C=CC(=O)c1ccccc1 144783803 UAAMQNHATHJDRL-UHFFFAOYSA-N 144.173 2.210 30 50 AEEA ON=Cc1nc2cc(Cl)ccc2o1 254442013 WZEYFHXRDKABGA-UHFFFAOYSA-N 196.593 2.289 30 50 AEEA O=CC[C@H]1CCCC12CC2 1857786593 OIBBROGPWCPJBJ-MRVPVSSYSA-N 138.210 2.156 30 50 AEEA CC(C)C1CCC2(CC1)O[C@@H]2C#N 307622480 PZHHJMVYOPKTLG-HSOILSAZSA-N 179.263 2.494 30 50 AEEA N#Cc1c(F)cccc1-n1cccc1 139140 NPZSWZGYPPDMFS-UHFFFAOYSA-N 186.189 2.488 30 50 AEEA COc1cccc2c1[C@@H]1C[C@]3(C#N)[C@@H]2[C@@H]13 101052459 SUWKNWGRJKHXTG-KNDHEWATSA-N 197.237 2.419 30 50 AEEA C=CCCCCCCNC 70639121 KHMMPYLFVCOTJL-UHFFFAOYSA-N 141.258 2.342 30 50 AEEA SCCNCC1CCCCC1 96027259 HPQISRQXXVMFJL-UHFFFAOYSA-N 173.325 2.086 30 50 AEEA O/N=C1/Nc2cccc3cccc1c23 4471880 VPMPLYWTVDKJSE-UHFFFAOYSA-N 184.198 2.401 30 50 AEEA N#CCCNc1ccccc1 12376742 FENJKTQEFUPECW-UHFFFAOYSA-N 146.193 2.012 30 50 AEEA N#C[C@@]1(c2ccc(F)cc2)CCOC1 19093015 XAZPZBFARYPVAS-NSHDSACASA-N 191.205 2.007 30 50 AEEA in-vitro C#CC1(c2ccc(F)cc2)CC1 238554685 SZRHNPIRNCRNHN-UHFFFAOYSA-N 160.191 2.491 30 50 AEEA N#Cc1cc(Cl)c(N)c(Cl)c1 152699 COFNCCWGWXFACE-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA in-vitro CC(C)(C#N)c1ccc(N)cc1 20282382 VXDPOGVDHHJTDY-UHFFFAOYSA-N 160.220 2.070 30 50 AEEA in-vitro C=C1[C@H]2CC[C@@](C(=O)O)(C2)C1(C)C 100745924 ZZGALJOLYVMECF-KWQFWETISA-N 180.247 2.454 30 50 AEEA biogenic C[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 203560833 TUXCUWZCFQDMLZ-SFYZADRCSA-N 182.072 2.489 30 50 AEEA C[C@@H]1CN/C(=N\c2ccccc2)S1 17241888 QQURMDYWWNVZAF-MRVPVSSYSA-N 192.287 2.399 30 50 AEEA C[C@H](C#N)C(=O)c1ccccc1 394745 QSQMLMUBVHLHFM-MRVPVSSYSA-N 159.188 2.029 30 50 AEEA in-vitro CC1(C)[C@H]2C[C@H]3O[C@]3(C)[C@@H]1C2 100019098 NQFUSWIGRKFAHK-FDDDBJFASA-N 152.237 2.210 30 50 AEEA in-man C[C@H]1CC[C@@H](C=O)CC1 238481718 XZUAUDZGDPLDLH-ZKCHVHJHSA-N 126.199 2.012 30 50 AEEA CCCC/C=C\C(C)=O 13544952 ZCFOBLITZWHNNC-SREVYHEPSA-N 126.199 2.322 30 50 AEEA CC(C)(C#N)c1cccc([N+](=O)[O-])c1 34579867 FYRQAESAYXPEBZ-UHFFFAOYSA-N 190.202 2.396 30 50 AEEA in-vitro COc1ccc2c(c1)[C@@H]1[C@@H]3C[C@H]2[C@@]31C#N 104290315 RTMALMIBRXLZGT-XQHKEYJVSA-N 197.237 2.419 30 50 AEEA C[C@]1(c2c(F)cccc2F)O[C@H]1C#N 306632032 OMVUXYWDGOJWPC-WPRPVWTQSA-N 195.168 2.102 30 50 AEEA CC(C)(C#N)c1ccccc1[N+](=O)[O-] 34467128 NLFNDKHBKNEPGT-UHFFFAOYSA-N 190.202 2.396 30 50 AEEA in-vitro N#Cc1ccc(N)cc1C1CC1 115965293 OIEVZQHMTSQAIT-UHFFFAOYSA-N 158.204 2.018 30 50 AEEA C[C@H]1C[C@@H](C)C[C@H](C=O)C1 252168527 QUUHIGZNKCUPOP-BRPSZJMVSA-N 140.226 2.258 30 50 AEEA N#C[C@@H]1CCCN1Cc1ccccc1 12649026 UWHFYOCFQGYYIH-LBPRGKRZSA-N 186.258 2.175 30 50 AEEA in-vitro C#CCOc1ccc(C=O)cc1CC 221509528 DTBZPMVWLDDXIO-UHFFFAOYSA-N 188.226 2.074 30 50 AEEA CC(C)[C@H](C)Nc1ccc(C#N)nc1 131882999 FGWLAGQQJNYRKY-VIFPVBQESA-N 189.262 2.410 30 50 AEEA N#CCc1c[nH]c2cccc(F)c12 2539062 IPYQJGRIWFMMMH-UHFFFAOYSA-N 174.178 2.373 30 50 AEEA in-vitro C[C@@H]1O[C@H]1c1ccccc1 2597080 YVCOJTATJWDGEU-IONNQARKSA-N 134.178 2.146 30 50 AEEA N#CC[C@@H]1CC(c2ccccc2)=NO1 39331879 IKBLVDWTLBFPQO-SNVBAGLBSA-N 186.214 2.093 30 50 AEEA [N-]=[N+]=N/C(=N/O)c1ccccc1F 685939435 AZBNQFSONUCCNA-YRNVUSSQSA-N 180.142 2.272 30 50 AEEA C/C(=N\O)c1ccc2c(c1)CCC2 12410356 OZQPZHZGJWHZRU-XYOKQWHBSA-N 175.231 2.374 30 50 AEEA in-vitro N#CCc1cccc(F)c1F 157125 IYRCHGRRMKOSHW-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA in-vitro N#CCC(=O)c1c[nH]c2ccccc12 3337379 KSKBLDDGNWKWKN-UHFFFAOYSA-N 184.198 2.264 30 50 AEEA in-vitro CC1=C[C@H](C)[C@@H](C=O)CC1 4524377 MZZRKEIUNOYYDF-DTWKUNHWSA-N 138.210 2.178 30 50 AEEA N#Cc1ccc(C2CC2)cc1N 238590689 GRCSEKWOVQOXSA-UHFFFAOYSA-N 158.204 2.018 30 50 AEEA C=C(C)[C@H]1CC[C@H](C)C[C@@H]1O 1081211 ZYTMANIQRDEHIO-AEJSXWLSSA-N 154.253 2.360 30 50 AEEA endogenous,in-man COc1ccc2c(c1)[C@@H]1[C@@H]3C[C@@H]2[C@@]31C#N 216425449 RTMALMIBRXLZGT-RVMXOQNASA-N 197.237 2.419 30 50 AEEA C=CCOc1ccc(C(=O)OC)cc1 5742880 YVFMGBISSJHIRW-UHFFFAOYSA-N 192.214 2.038 30 50 AEEA C=CCC(C)C 1706701 WSSSPWUEQFSQQG-UHFFFAOYSA-N 84.162 2.219 30 50 AEEA N#Cc1ccccc1-n1cccc1 94479 ZCTJXWVTLAHGAJ-UHFFFAOYSA-N 168.199 2.349 30 50 AEEA in-vitro C=CCOc1c(C=O)cccc1OC 1582953 GLYAZASCWHSRSS-UHFFFAOYSA-N 192.214 2.073 30 50 AEEA in-vitro N#Cc1cccc2c1[C@@H]1[C@@H]3C[C@H]2[C@@]31C#N 44143925 BMGNRXBFMWJKMW-URBCHYCLSA-N 192.221 2.283 30 50 AEEA O=C[C@@H]1C[C@H]1c1ccsc1 1857786315 BGJMOJPNAMGZRH-YUMQZZPRSA-N 152.218 2.051 30 50 AEEA CC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@H]1C2 968144 NQFUSWIGRKFAHK-AZQAYCESSA-N 152.237 2.210 30 50 AEEA in-vitro C#CCCCCC 1700122 YVXHZKKCZYLQOP-UHFFFAOYSA-N 96.173 2.200 30 50 AEEA CCC[C@@H](S)CCOC(C)=O 14589056 JUCARGIKESIVLB-MRVPVSSYSA-N 176.281 2.038 30 50 AEEA endogenous,in-man C[C@H](C#N)c1ccc([N+](=O)[O-])cc1 12336814 QCPKTMACPAKCKW-SSDOTTSWSA-N 176.175 2.222 30 50 AEEA in-vitro N#CCCCN1CCC(F)(F)CC1 85652804 YMJXHDWSXSKPQX-UHFFFAOYSA-N 188.221 2.021 30 50 AEEA C=CCOc1ccccc1 1680380 POSICDHOUBKJKP-UHFFFAOYSA-N 134.178 2.251 30 50 AEEA CCCCCC[C@@H]1O[C@H]1[C@H](O)CC 4569682 MZWYIBGJZWHXHJ-VWYCJHECSA-N 186.295 2.495 30 50 AEEA Cc1ncc(Br)cc1C#N 65337587 CMZODOCHMREYBB-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C/C(=N/O)c1cc(F)c(F)cc1F 83318308 XIWAFPYIEKQWQI-QCDXTXTGSA-N 189.136 2.302 30 50 AEEA CC1=C[C@@H](C)[C@@H](C=O)CC1 4524376 MZZRKEIUNOYYDF-RKDXNWHRSA-N 138.210 2.178 30 50 AEEA [C-]#[N+]c1ccc(C#N)cc1 95698054 CIROOWQVERYDSK-UHFFFAOYSA-N 128.134 2.109 30 50 AEEA in-vitro C#CCOc1ccc(C=O)cc1Cl 2505874 UYCJAUZZEFTKHS-UHFFFAOYSA-N 194.617 2.165 30 50 AEEA in-vitro C=CCn1ccc2c(Cl)ncnc21 95831075 JWRIQTFDXVDHCR-UHFFFAOYSA-N 193.637 2.271 30 50 AEEA in-vitro N#Cc1ccc([N+](=O)[O-])c2cccnc12 147616305 UBENFVCBHLLYSK-UHFFFAOYSA-N 199.169 2.015 30 50 AEEA in-vitro N#CCCCCCCC#N 1682457 BTNXBLUGMAMSSH-UHFFFAOYSA-N 136.198 2.374 30 50 AEEA Cc1cc(F)cc(C)c1C#N 2540287 BPLRYXJPQRMLEJ-UHFFFAOYSA-N 149.168 2.314 30 50 AEEA in-vitro N#Cc1c(F)cccc1-c1cc[nH]n1 725273277 SBHUSECHVXFTLJ-UHFFFAOYSA-N 187.177 2.087 30 50 AEEA C[C@@H](Cc1ccccc1)/N=C/N(C)C 5735306 GLUKOMQJDSURTJ-CDDSVFCYSA-N 190.290 2.208 30 50 AEEA N#Cc1cc2cc(O)ccc2o1 39136308 DRWBOAKFHNGZHF-UHFFFAOYSA-N 159.144 2.010 30 50 AEEA CCO/C=C/B1OC(C)(C)C(C)(C)O1 169746070 MRAYNLYCQPAZJN-BQYQJAHWSA-N 198.071 2.168 30 50 AEEA in-vitro CCCCCCCC[C@H](O)CO 2048659 YSRSBDQINUMTIF-JTQLQIEISA-N 174.284 2.090 30 50 AEEA in-vitro Cc1ccc(C#N)c(F)c1F 12359232 WENILJFVUHUBBV-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA in-vitro N#CC(=O)c1ccc(C(F)(F)F)cc1 100174206 UNOHHRSTBDNSAW-UHFFFAOYSA-N 199.131 2.412 30 50 AEEA in-vitro CCCCCCCCC[C@@H](N)CO 100684737 MVNILNMAOCFOOH-LLVKDONJSA-N 187.327 2.447 30 50 AEEA CCCC1(CCC)O[C@H]1C#N 215402845 BHASWGUSDHJXBN-QMMMGPOBSA-N 153.225 2.248 30 50 AEEA C/C(=N\O)c1c(F)cccc1F 79387705 JRXOMHDOIJWJQP-VZUCSPMQSA-N 171.146 2.163 30 50 AEEA N#Cc1cccc(Cl)c1 404318 WBUOVKBZJOIOAE-UHFFFAOYSA-N 137.569 2.212 30 50 AEEA in-vitro C=C(CC(C)C)C(C)=O 2039801 AGMJVYMZEAWWND-UHFFFAOYSA-N 126.199 2.178 30 50 AEEA in-vitro N#CCCN1CCC(c2ccccc2)=N1 4126899 ZFUQLMOFTYWBLJ-UHFFFAOYSA-N 199.257 2.010 30 50 AEEA O=C1C=C[C@]23CCC[C@@]2(C1)C3 71785577 YIIYSDGZXSOAQY-VHSXEESVSA-N 148.205 2.076 30 50 AEEA CCB1OC(C)(C)C(C)(C)O1 169983172 NPUBDPDASOEIOA-UHFFFAOYSA-N 156.034 2.099 30 50 AEEA in-vitro C=C[C@H]1O[C@H](C)CC(C)(C)O1 410303 XLVQNXPLYGVRKU-SFYZADRCSA-N 156.225 2.103 30 50 AEEA in-vitro CN(CCC#N)c1ccccc1 1699263 IXXLKTZOCSRXEM-UHFFFAOYSA-N 160.220 2.036 30 50 AEEA N#Cc1cccc(Cl)c1[N+](=O)[O-] 98178439 HXBSPURMEQYSSS-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro N#Cc1ccc(OC(F)F)c(F)c1 141315374 FZWSJWLBGNEBBD-UHFFFAOYSA-N 187.120 2.299 30 50 AEEA in-vitro C[C@@]1(c2ccc(F)c(F)c2)O[C@H]1C#N 306674760 RBSZGHUFFQCBBM-UWVGGRQHSA-N 195.168 2.102 30 50 AEEA C=C[C@@]12CC[C@@H]([C@@H](OC)C1=O)C2(C)C 43214628 FQOIKNGDFXSSDD-YGOYTEALSA-N 194.274 2.193 30 50 AEEA Cc1ccc(Br)nc1C#N 88190102 FGVHKABWIDIKRG-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro N#Cc1ccc(F)c2cc[nH]c12 44184810 OHNJUDBFNBBWHU-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA in-vitro CO[C@@]12C[C@@]3(C#N)[C@@H]1[C@@H]3c1ccccc12 101003982 QFZJFKGCPMXUPG-ZDEQEGDKSA-N 197.237 2.169 30 50 AEEA C[C@@H]1CCc2sc(N)c(C#N)c2C1 1660807 JZZJGLHCFJZIIN-ZCFIWIBFSA-N 192.287 2.327 30 50 AEEA C=C(C)C(C)C 1699368 OWWIWYDDISJUMY-UHFFFAOYSA-N 84.162 2.219 30 50 AEEA in-vitro ON=C(c1ccccc1)c1ccccn1 254696519 RSJDEVMJZLLAHS-UHFFFAOYSA-N 198.225 2.308 30 50 AEEA C=C[C@@]1(O)C[C@H]2C[C@H]3CC[C@H]2[C@H]1C3 257355605 BRTCTGULXFKXIM-LZQZFOIKSA-N 178.275 2.360 30 50 AEEA C[C@@H]1C[C@H]1CCCC=O 1535688080 KRWXYIFAXTZWPZ-HTQZYQBOSA-N 126.199 2.012 30 50 AEEA C=CC[C@@]1(O)CCCC[C@@]1(O)CC=C 34599714 ZXJKALDMAVBZLF-TXEJJXNPSA-N 196.290 2.175 30 50 AEEA N#Cc1cc2cn[nH]c2cc1Cl 89197078 BEDCZLCJIAHDKS-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1 967810 BAVONGHXFVOKBV-ZJUUUORDSA-N 152.237 2.280 30 50 AEEA endogenous,in-man CNc1cccc(Cl)c1C#N 49933761 ORYSGUZJPYKVEG-UHFFFAOYSA-N 166.611 2.253 30 50 AEEA in-vitro CCCc1ccoc1C#N 757122877 YSOFQFMMPOZVCP-UHFFFAOYSA-N 135.166 2.104 30 50 AEEA Cc1ccc(C(=O)/C=C/N(C)C)cc1 142370 RRVBRKWQJVEFJN-CMDGGOBGSA-N 189.258 2.253 30 50 AEEA in-vitro C=CCc1cc(C=O)ccc1OC 8728276 KBXMYFVAWMPGAT-UHFFFAOYSA-N 176.215 2.236 30 50 AEEA in-vitro c1ccc2c(c1)N/C(=N/C1CC1)CO2 96027535 HDBHIKRRSAFIHT-UHFFFAOYSA-N 188.230 2.052 30 50 AEEA CC(=O)C1=Cc2ccccc2OC1 2005344 SPWAIRGUACCVAD-UHFFFAOYSA-N 174.199 2.051 30 50 AEEA in-vitro CC(C)c1cccc(C#N)c1N 131838474 WINTUEPMQBDCEP-UHFFFAOYSA-N 160.220 2.264 30 50 AEEA C[C@H](C#N)c1ccccc1 1712819 NVAOLENBKNECGF-MRVPVSSYSA-N 131.178 2.314 30 50 AEEA in-vitro C=CCCOc1ccc(C(=O)O)cc1 2556777 QXZIOUAINSTHGI-UHFFFAOYSA-N 192.214 2.340 30 50 AEEA in-vitro CC(=O)Nc1sc(C)c(C)c1C#N 39845 KQGQIJBFNSFSGQ-UHFFFAOYSA-N 194.259 2.195 30 50 AEEA N#Cc1c(F)cc(Cl)cc1F 12359184 ABNYHMNNQYZWIM-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA C=C(C)c1ccccc1N 1707938 HEDYZFYQYPWWCC-UHFFFAOYSA-N 133.194 2.302 30 50 AEEA FC(F)(F)[C@]1(c2ccccc2)CO1 138027541 JCJQTSDFRCDMGF-MRVPVSSYSA-N 188.148 2.474 30 50 AEEA N#C[C@@H]1C[C@H]1c1ccccc1 4775358 KUCVFITUDJTMFA-UWVGGRQHSA-N 143.189 2.314 30 50 AEEA in-vitro C#Cc1nc2ccccc2s1 11550329 ZLVCPVCGNOKHRF-UHFFFAOYSA-N 159.213 2.278 30 50 AEEA CC1=C(C)C[C@@H](C=O)CC1 75526294 NOJNKSAQZMVMFF-VIFPVBQESA-N 138.210 2.322 30 50 AEEA in-vitro N#CCCCN1CC2CCC(CC2)C1 96027275 LSDPADSPERSYNC-UHFFFAOYSA-N 192.306 2.412 30 50 AEEA N#Cc1cccc(Br)c1 404307 STXAVEHFKAXGOX-UHFFFAOYSA-N 182.020 2.321 30 50 AEEA in-vitro C=C[C@H]1CC1(Cl)Cl 1673439 GAAAGAHNGGKSQH-BYPYZUCNSA-N 137.009 2.366 30 50 AEEA C#CC1(c2ccccc2)CC1 59289408 JZMJNHMUPFGYFK-UHFFFAOYSA-N 142.201 2.351 30 50 AEEA in-vitro Cc1cc(C)n2cc(C)c(C#N)c2n1 75576926 ACLUBFCUSIGCDA-UHFFFAOYSA-N 185.230 2.131 30 50 AEEA O=C1C=C[C@@H](C[C@H]2CCCO2)CC1 104297545 DVZNFILJZIOYPQ-MWLCHTKSSA-N 180.247 2.091 30 50 AEEA N#C[C@H]1O[C@@]12CCCc1ccccc12 148610101 DBMVWSSEIFXVGH-VXGBXAGGSA-N 185.226 2.141 30 50 AEEA N#Cc1cc(-c2ccccc2)oc1N 66647 UWTDTJWGYWUILP-UHFFFAOYSA-N 184.198 2.400 30 50 AEEA in-vitro Cc1cc(C)cc(NC(=O)CC#N)c1 378383 ITKCPUGXCLGMAG-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro CCCCc1ccc(/C(N)=N/O)cc1 2547101 LNSILFGWSYOPRX-UHFFFAOYSA-N 192.262 2.124 30 50 AEEA Cc1cccc(C#N)c1F 16158454 KBFVSJVSSMGQJC-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro CC(=NO)c1c(F)cccc1F 301054772 JRXOMHDOIJWJQP-UHFFFAOYSA-N 171.146 2.163 30 50 AEEA N#CCCCN1CCCCCC1 1645023 OQPSAQBHEQYYMJ-UHFFFAOYSA-N 166.268 2.166 30 50 AEEA in-vitro C#CC1=CCCCC1 43569677 DKFHWNGVMWFBJE-UHFFFAOYSA-N 106.168 2.120 30 50 AEEA in-vitro C=CCSC(=S)N1CCCC1 2169564 GDQCWIUHBJJDNL-UHFFFAOYSA-N 187.333 2.286 30 50 AEEA in-vitro COC(=O)c1cccc([C@@H](C)C#N)c1 34115897 VMRCDTRPKXLHOY-QMMMGPOBSA-N 189.214 2.100 30 50 AEEA CCOc1cccc(C#N)c1F 38537002 NRUNOKNBZYDSTD-UHFFFAOYSA-N 165.167 2.096 30 50 AEEA in-vitro Cc1cccc([C@@]2(C)O[C@H]2C#N)c1 307448877 LPDYHYAZWYZIFV-WDEREUQCSA-N 173.215 2.133 30 50 AEEA N#Cc1ccc(-c2csnn2)cc1 106627 LOLQDXFKXGCNFZ-UHFFFAOYSA-N 187.227 2.077 30 50 AEEA C[C@H]1CCC[C@H](C)C1=NO 5376113 PHLQNGDQAIKEMA-BQBZGAKWSA-N 141.214 2.273 30 50 AEEA Cc1cc(C)n(-c2ccc(C#N)cc2)n1 12370830 BTXLPDNFEZIQBZ-UHFFFAOYSA-N 197.241 2.361 30 50 AEEA in-vitro N#Cc1ccc2sc(S)nc2c1 117738714 YDRKHDJUGAULIN-UHFFFAOYSA-N 192.268 2.457 30 50 AEEA O/N=C/C=C/c1ccccc1 1679302 RUQDOYIAKHIMAN-DAAQNPAKSA-N 147.177 2.160 30 50 AEEA in-vitro CCOP(=O)(OCC)[C@H](C)C#N 1721780 UMLWEPGSWQNXQX-SSDOTTSWSA-N 191.167 2.165 30 50 AEEA C=CCC(O)(CC=C)CC=C 2389852 SUXQWOWVXDXQSE-UHFFFAOYSA-N 152.237 2.446 30 50 AEEA C[C@@H]1CC(=O)C2=C1CCCC2 38250993 XAIDJKMHAGUWQN-SSDOTTSWSA-N 150.221 2.466 30 50 AEEA ON=C1C2CCCC1CCC2 44491469 GURUHVRGHGFUMF-UHFFFAOYSA-N 153.225 2.417 30 50 AEEA C=C1/C(=N/O)C[C@H]2C[C@H]1C2(C)C 100314703 VPNPPABHZOSKRQ-BFXRAUQESA-N 165.236 2.439 30 50 AEEA N#CCCSc1ncccc1F 336253994 FZYDWCQFAPRUTD-UHFFFAOYSA-N 182.223 2.226 30 50 AEEA CCC[C@@H](C)[C@H](C#N)C(=O)OCC 1678952 FIJVOSSCAUGKQY-BDAKNGLRSA-N 183.251 2.125 30 50 AEEA C[C@@H]1CC(C)(C)C[C@]2(C1)O[C@H]2C#N 307339065 VXZGWSIOSUDLAI-YWVKMMECSA-N 179.263 2.494 30 50 AEEA Fc1ccc(CS)c(F)c1 4244661 OVVKITNMPZZCSS-UHFFFAOYSA-N 160.188 2.395 30 50 AEEA CC(=O)CC(=O)/C=C/c1ccccc1 18031750 OOKUSDZYOMYKEJ-BQYQJAHWSA-N 188.226 2.248 30 50 AEEA N#Cc1c(Cl)ccc(F)c1F 36404372 WKQOTAVCQBOWLA-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA O=C1C=Cc2ccccc2[C@H]2C[C@H]12 101037276 BTYOJOLATHBNOE-MNOVXSKESA-N 170.211 2.386 30 50 AEEA C=C(C(=O)OC(C)(C)C)C(F)(F)F 2525252 RCSSZBOUAGQERK-UHFFFAOYSA-N 196.168 2.447 30 50 AEEA in-vitro CCC1CCC2(CC1)O[C@H]2C#N 306930658 BQNDFNIKMRJUIK-KYHHOPLUSA-N 165.236 2.248 30 50 AEEA N#CCc1ccc(C(F)(F)F)cn1 12589554 GTMNJBOEUBLOPE-UHFFFAOYSA-N 186.136 2.166 30 50 AEEA in-vitro Cc1cccc(C#N)c1C 2163451 ZEDPQIJYJCPIRM-UHFFFAOYSA-N 131.178 2.175 30 50 AEEA in-vitro CC(C)[C@@H](O)C#Cc1ccccc1 2168573 KRXFLLINIVIGNG-LBPRGKRZSA-N 174.243 2.055 30 50 AEEA CCc1cc(C)cc(C#N)c1 67802569 WYEOLCFLUGHXAC-UHFFFAOYSA-N 145.205 2.429 30 50 AEEA CC(C)(C)/[N+]([O-])=C/c1ccccc1 5072 IYSYLWYGCWTJSG-XFXZXTDPSA-N 177.247 2.414 30 50 AEEA in-vitro C=CC[C@@H](O)c1ccccc1OC 404143 VWOGPWOUPIUOFK-SNVBAGLBSA-N 178.231 2.305 30 50 AEEA C=CCCCCCC(=O)O 43781616 OZYYQTRHHXLTKX-UHFFFAOYSA-N 142.198 2.208 30 50 AEEA in-vitro C#Cc1ccc(F)c(C)c1 57988924 GSGKOWLZNQXGAI-UHFFFAOYSA-N 134.153 2.115 30 50 AEEA N#Cc1ccccc1-c1ncccn1 32578132 KDSRYDVQFIIVGW-UHFFFAOYSA-N 181.198 2.015 30 50 AEEA Cc1cc(Br)cnc1C#N 66054701 YPCLLVYLWXIIBW-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro N#CC(=O)c1ccc(F)c(Cl)c1 100041364 BGSVXOFUWAZGGW-UHFFFAOYSA-N 183.569 2.185 30 50 AEEA in-vitro CCOc1ccc(C#N)cc1OCC 5953735 AQPTYFCFZUQSLC-UHFFFAOYSA-N 191.230 2.356 30 50 AEEA NN=C1c2ccccc2-c2ccccc21 45244 YCNUILAKOMIBAL-UHFFFAOYSA-N 194.237 2.378 30 50 AEEA in-vitro CC/C(=N\O)C(=O)c1ccc(F)cc1 4948019 VPDXNRAIKYYDHR-FMIVXFBMSA-N 195.193 2.249 30 50 AEEA N#CCCCOc1cccc(C=O)c1 19428656 UQSURVXPSLHIFQ-UHFFFAOYSA-N 189.214 2.182 30 50 AEEA in-vitro C=C1CC[C@@H](CC(=O)O)C1(C)C 26441728 FQEKGLSKJICRKZ-QMMMGPOBSA-N 168.236 2.454 30 50 AEEA N#CCSCCc1ccccc1 168697869 IKYWXFZHHSJHLZ-UHFFFAOYSA-N 177.272 2.486 30 50 AEEA COc1ccc2c(c1)[C@@H]1[C@@H]3C[C@H]2[C@]31C#N 247964662 RTMALMIBRXLZGT-YVECIDJPSA-N 197.237 2.419 30 50 AEEA CCCCc1ccoc1C#N 757121553 KLABTGZQOPJYOG-UHFFFAOYSA-N 149.193 2.494 30 50 AEEA C=CC[n+]1csc2ccccc21 392780 WNZPREQNKMMHIC-UHFFFAOYSA-N 176.264 2.375 30 50 AEEA CC(C)[C@H](O)C#Cc1ccccc1 2168572 KRXFLLINIVIGNG-GFCCVEGCSA-N 174.243 2.055 30 50 AEEA CC1CCN(CCCC#N)CC1 19510911 AXZVDCFTHUVNKN-UHFFFAOYSA-N 166.268 2.022 30 50 AEEA CCCC(Cl)(Cl)C=O 2512306 LXYPCRVXVVHGJF-UHFFFAOYSA-N 155.024 2.159 30 50 AEEA in-vitro C=CCc1cc(OC)c(OC)cc1O 15119371 IHAVVJBEVFMSES-UHFFFAOYSA-N 194.230 2.138 30 50 AEEA biogenic,in-vitro Cc1cccc(OCCC#N)c1 19808995 NPGQPPJEJMSLCU-UHFFFAOYSA-N 161.204 2.288 30 50 AEEA in-vitro N#Cc1cc(F)c(Cl)c(F)c1 71791840 FLWUCEPAGLEAML-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA in-vitro O=C(O)C#Cc1ccc2ccccc2c1 3681424 XWMRRMQMFPBLTP-UHFFFAOYSA-N 196.205 2.276 30 50 AEEA in-vitro N#Cc1ccc2c(Cl)ncnc2c1 95830484 HPPKVEMLKHNBPV-UHFFFAOYSA-N 189.605 2.155 30 50 AEEA in-vitro C=C1CC[C@H]2C(C)(C)[C@]12C(=O)OC 101051985 CEBKSMSGMSVUKQ-GZMMTYOYSA-N 180.247 2.152 30 50 AEEA CC(=O)C1=Cc2cccc(C)c2OC1 675081686 IDGWTTPYJVWLIB-UHFFFAOYSA-N 188.226 2.360 30 50 AEEA N#Cc1cc(Cl)ccc1[N+](=O)[O-] 155225 HPWJUEZFOUOUEO-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro C=CCOc1ccccc1OC 1702549 KWRBXILMRLLABD-UHFFFAOYSA-N 164.204 2.260 30 50 AEEA CC[C@@]12CC[C@@H](C/C1=N\O)C2 4947341 YXEQWKJXIHHUHR-TUNFFRDPSA-N 153.225 2.417 30 50 AEEA C=C[C@@H](C)S(=O)(=O)c1ccccc1 34611665 NQSMHCACYCRLNI-SECBINFHSA-N 196.271 2.035 30 50 AEEA C#Cc1ccc(F)c(Cl)c1 58626260 JEPRSQLKFAHAGC-UHFFFAOYSA-N 154.571 2.460 30 50 AEEA O=C[C@@H]1CC12CCC(F)(F)CC2 1772717483 GKXDYWHIYFKCNL-ZETCQYMHSA-N 174.190 2.401 30 50 AEEA N#CCC[C@H]1CCCCC1=O 1690108 SPTVCXKSSRBTMN-MRVPVSSYSA-N 151.209 2.049 30 50 AEEA in-vitro C[C@H](C#N)c1cccc(C(=O)O)c1 2242689 IRYIYPWRXROPSX-SSDOTTSWSA-N 175.187 2.012 30 50 AEEA in-vitro N#C/N=C1/CCCc2ccccc2N1 5999914 HGZXRPRSPGFHIH-UHFFFAOYSA-N 185.230 2.314 30 50 AEEA Cc1cc(C)c([N+](=O)[O-])cc1C#N 96321142 XFCHWOZARCTQMI-UHFFFAOYSA-N 176.175 2.083 30 50 AEEA N#Cc1cccnc1NC1CCCC1 19422936 MLXRNSZZOUYFMZ-UHFFFAOYSA-N 187.246 2.308 30 50 AEEA in-vitro CC(C)(C)/N=C/CCCC1OCCO1 34165503 HOUNWIWPZZANCQ-KPKJPENVSA-N 199.294 2.399 30 50 AEEA CC[C@@]1(c2ccccc2F)O[C@@H]1C#N 306282917 IMITXALSOJZMRT-MNOVXSKESA-N 191.205 2.353 30 50 AEEA C=C[C@@H]1CC[C@H](C=C)OC1 2013267 JRUPYIDCDOLUPI-BDAKNGLRSA-N 138.210 2.154 30 50 AEEA COc1cc(C#N)ccc1OC(F)F 2536986 QXTCZOITVDAGKZ-UHFFFAOYSA-N 199.156 2.168 30 50 AEEA in-vitro CCc1cc(C#N)ccc1F 87489307 RFLBKVBNVUDWDP-UHFFFAOYSA-N 149.168 2.260 30 50 AEEA in-vitro N#Cc1cc(Cl)cc(Cl)c1N 165499 ZHKNDJRPOVUPMT-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA in-vitro Cc1ccc(CC=O)c(C)c1 2581088 OVRAXHLRVJRNPG-UHFFFAOYSA-N 148.205 2.045 30 50 AEEA C#C[Si](C)(C)[Si](C)(C)C 170153288 YJKJAVGMVVVJPZ-UHFFFAOYSA-N 156.377 2.284 30 50 AEEA N#Cc1c(Cl)ccc(N)c1Cl 34550433 BNPFHQUYMVSYSZ-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA CC(C)/N=C(/NC(C)C)OC(C)C 34484592 RHNDDRWPYPWKNW-UHFFFAOYSA-N 186.299 2.174 30 50 AEEA N#Cc1cc(Cl)c2[nH]cnc2c1 169725197 XDBAUPGJYPQTAW-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA N#C[C@H]1CC(F)(F)[C@@]1(F)Cl 8100897 UTOYDUSNBSGAKD-NQXXGFSBSA-N 169.533 2.070 30 50 AEEA in-vitro CC1=CC(=O)CC(C)(C)C1 14822379 HJOVHMDZYOCNQW-UHFFFAOYSA-N 138.210 2.322 30 50 AEEA endogenous,in-man CC1(C)CC(=O)C2=CCC[C@H]21 39236792 BGNWESSCOHCUKI-MRVPVSSYSA-N 150.221 2.322 30 50 AEEA N#Cc1csc(Cl)c1 83267878 BBGRLEJFPILYFH-UHFFFAOYSA-N 143.598 2.273 30 50 AEEA in-vitro C#C[C@@H]1CCc2ccccc21 150188416 DMCAWSIZRCCGGK-SECBINFHSA-N 142.201 2.350 30 50 AEEA in-vitro N#CCC(=O)c1ccc(F)cc1F 2579801 IHOQJCDNMJJLME-UHFFFAOYSA-N 181.141 2.061 30 50 AEEA CC(C)c1cccc(C#N)n1 39050591 FDFCKUYJJATYBF-UHFFFAOYSA-N 146.193 2.077 30 50 AEEA in-vitro Cc1ccc(C#N)nc1Br 71254775 DHFCAAHDNSOIAE-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro CCCCCCCC[C@H](N)CO 79572656 BVTHJTCQKBKCPR-JTQLQIEISA-N 173.300 2.057 30 50 AEEA C#CC1(C(C)C)CC1 584880589 IDGZVEYABMOXAR-UHFFFAOYSA-N 108.184 2.056 30 50 AEEA CC(=O)C1=CCCCC1 3860149 LTYLUDGDHUEBGX-UHFFFAOYSA-N 124.183 2.076 30 50 AEEA C[C@]12C=CC(=O)C[C@@H]1CC=CC2 1604435 HAJWWOSVOWYULL-ONGXEEELSA-N 162.232 2.488 30 50 AEEA COc1cccc2c1CCC/C2=N\O 5275079 DGGPOLXLMRQFQS-ZRDIBKRKSA-N 191.230 2.210 30 50 AEEA CC1=C(O)C(=O)CC(C)(C)C1 24718305 DWGZTTFGUFHAJX-UHFFFAOYSA-N 154.209 2.208 30 50 AEEA endogenous,in-man N#Cc1sc(Cl)nc1Cl 8700547 HXWDCGDBOAECIP-UHFFFAOYSA-N 179.031 2.322 30 50 AEEA in-vitro CC1(C)[C@H]2C[C@@H]1[C@@]1(C)O[C@@H]1C2 100019097 NQFUSWIGRKFAHK-QHOPCYEYSA-N 152.237 2.210 30 50 AEEA in-man N#Cc1cccc2c1[C@H]1C[C@H]2CC1=O 101037318 YEHCZEYYZHCASJ-WPRPVWTQSA-N 183.210 2.102 30 50 AEEA C=CC[C@@]1(O)CCCCCCC1=O 43199234 XVFTUERCPQGMQF-LLVKDONJSA-N 182.263 2.217 30 50 AEEA CC(C)(C)NOC(=O)c1ccccc1 43199416 XJHOQZUQFDBALN-UHFFFAOYSA-N 193.246 2.147 30 50 AEEA in-vitro CO/N=C(\C)c1ccccc1F 166882835 DJBXYYZPYRDCIK-YRNVUSSQSA-N 167.183 2.196 30 50 AEEA in-vitro CCCB1OC(C)(C)C(C)(C)O1 169746017 BTSWCGATJFXUHR-UHFFFAOYSA-N 170.061 2.489 30 50 AEEA in-vitro CC(C)[C@H]1C=CC(=O)[C@H](C)C1 32135338 LQKVFPXPTBYWLF-BDAKNGLRSA-N 152.237 2.424 30 50 AEEA CC[C@@]1(c2ccc(F)cc2)O[C@@H]1C#N 306297984 DDTTWMZIGFUBQB-MNOVXSKESA-N 191.205 2.353 30 50 AEEA CCc1ccccc1C#N 2507889 UZDXATQPJOOHQJ-UHFFFAOYSA-N 131.178 2.121 30 50 AEEA in-vitro C=C(C)B1OC(C)(C)C(C)(C)O1 169743457 SVSUYEJKNSMKKW-UHFFFAOYSA-N 168.045 2.194 30 50 AEEA Cc1ccc([C@@]2(C)O[C@@H]2C#N)cc1 307008878 HSOGGEOVXIIWBW-GHMZBOCLSA-N 173.215 2.133 30 50 AEEA CC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1695057 KMCRQJMZUHNLKJ-NSCUHMNNSA-N 191.186 2.197 30 50 AEEA in-vitro C=C(Cl)Cn1nnc2ccccc21 5382702 MHTAQIBUXBVQKJ-UHFFFAOYSA-N 193.637 2.184 30 50 AEEA C=CCOc1ccc(C#N)cc1 1556222 NEFWHNGRRGVCEW-UHFFFAOYSA-N 159.188 2.123 30 50 AEEA in-vitro C[C@H]1CCCC/C1=N\O 14591025 MDIFHVYPHRHKLB-KRHCVIHDSA-N 127.187 2.027 30 50 AEEA N#Cc1ccc(OCC2CC2)cc1 19870789 ANFJPOSRSRESGD-UHFFFAOYSA-N 173.215 2.347 30 50 AEEA in-vitro N#CCCn1cc(C=O)c2ccccc21 2566358 UTWRGCLFZOWWSI-UHFFFAOYSA-N 198.225 2.367 30 50 AEEA in-vitro C=C[C@@H]1CC[C@@H](C=C)OC1 4582607 JRUPYIDCDOLUPI-RKDXNWHRSA-N 138.210 2.154 30 50 AEEA N#Cc1c(N)sc2ccccc12 51943554 WNXWDETZPAYBPB-UHFFFAOYSA-N 174.228 2.355 30 50 AEEA in-vitro N#Cc1cc(Cl)cc([N+](=O)[O-])c1 4013981 HLEQCLVTXOSSQV-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro N#Cc1ccc(C(F)(F)F)cc1N 2541529 IAIRNHIXDCZUCV-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro CCCNCC#Cc1ccccc1 7262288 YWJIRTMAFSRUID-UHFFFAOYSA-N 173.259 2.038 30 50 AEEA in-vitro COc1cc(C#N)ccc1Cl 28278410 QTTDNAJLJBSQPY-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro CC#CCN(CC#CC)CCCC 31623909 AXPBVQUBKOOHMW-UHFFFAOYSA-N 177.291 2.135 30 50 AEEA C=C[C@H](CC(=O)OC)[Si](C)(C)C 169748313 DJXDHDYQDMVTPZ-MRVPVSSYSA-N 186.327 2.444 30 50 AEEA in-vitro N#CC1(c2ccc(F)cc2)CC1 2243889 MFNQFDZHIVUCOX-UHFFFAOYSA-N 161.179 2.381 30 50 AEEA in-vitro C=C1C[C@H]1[C@H](O)c1ccccc1 6022038 AUHOYCNONPXIAR-GHMZBOCLSA-N 160.216 2.296 30 50 AEEA N#Cc1cc(O)cc(C(F)F)c1 115464808 GRJFEPKRTUHYCB-UHFFFAOYSA-N 169.130 2.201 30 50 AEEA CCC1CCC2(CC1)O[C@@H]2C#N 306930657 BQNDFNIKMRJUIK-HWOCKDDLSA-N 165.236 2.248 30 50 AEEA COc1ccc(CCC#N)cc1 2146840 ORAXBZFDDWPRRD-UHFFFAOYSA-N 161.204 2.151 30 50 AEEA in-vitro Cc1ccccc1CC#N 901404 WMGVPDQNPUQRND-UHFFFAOYSA-N 131.178 2.061 30 50 AEEA in-vitro O=CCc1cccc(Cl)c1 2581071 CNBOFJGDTDMTEX-UHFFFAOYSA-N 154.596 2.081 30 50 AEEA in-vitro C=C(C)COc1ccc(C=O)cc1 19094356 ISGPWHIMOVCRRQ-UHFFFAOYSA-N 176.215 2.454 30 50 AEEA in-vitro N#Cc1cc(F)c(Cl)cc1F 19615480 OMVDTUXOHXQKML-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA in-vitro NN=C(c1ccccc1)c1ccccc1 270781 QYCSNMDOZNUZIT-UHFFFAOYSA-N 196.253 2.398 30 50 AEEA in-vitro C=CCc1cc(OC)ccc1O 1596288 HINCKJDFBMTHPK-UHFFFAOYSA-N 164.204 2.129 30 50 AEEA in-vitro COc1cc(F)c(CC#N)c(F)c1 2527851 QIAUDGXIPNBTDC-UHFFFAOYSA-N 183.157 2.039 30 50 AEEA C=CCCCCCSC(=N)N 236160034 BDBRPLPAWSVZRK-UHFFFAOYSA-N 172.297 2.359 30 50 AEEA C=CCCO[C@H]1CCCCO1 2030734 BZZVUZRTCAMISL-SECBINFHSA-N 156.225 2.106 30 50 AEEA C=C[C@@H]1CC[C@H](C=C)CO1 4582608 JRUPYIDCDOLUPI-DTWKUNHWSA-N 138.210 2.154 30 50 AEEA N#CC1(O[C@@H]2CCCCO2)CCCC1 39112487 KHBMEQRRNRLREB-SNVBAGLBSA-N 195.262 2.366 30 50 AEEA Cc1ccc(C)c([C@]2(C)O[C@H]2C#N)c1 306331827 PZPJROLLTULFTG-RYUDHWBXSA-N 187.242 2.441 30 50 AEEA C#CCCCCO[C@@H]1CCCCO1 1721910 UBVHEECJJXMXTN-NSHDSACASA-N 182.263 2.333 30 50 AEEA Cc1cc(C)c(C#N)c(Cl)n1 53864 RETJKTAVEQPNMH-UHFFFAOYSA-N 166.611 2.224 30 50 AEEA in-vitro C=CC(=O)c1ccccc1 1702416 KUIZKZHDMPERHR-UHFFFAOYSA-N 132.162 2.055 30 50 AEEA CC1=CC(=O)c2ccccc2C1=O 1677 MJVAVZPDRWSRRC-UHFFFAOYSA-N 172.183 2.012 30 50 AEEA endogenous,world CN(C)[C@H](C#N)c1ccccc1Cl 19934360 DAOSLFYYPSHQRU-SNVBAGLBSA-N 194.665 2.466 30 50 AEEA C=CCNC(=O)Nc1ccc(C)cc1 2171022 AWQSYFZTDCPLNF-UHFFFAOYSA-N 190.246 2.303 30 50 AEEA CC(=O)C(=Cc1ccc(C)o1)C(C)=O 2390802 XMPIGMOARWQCRI-UHFFFAOYSA-N 192.214 2.149 30 50 AEEA CCCC1=CCCCC1=O 115628558 IPXQBSYBAIJUPU-UHFFFAOYSA-N 138.210 2.466 30 50 AEEA C=CC(F)(F)C(=O)c1ccccc1O 1536220101 IGODOCVEEGYGOM-UHFFFAOYSA-N 198.168 2.396 30 50 AEEA N#Cc1cc(Cl)ccc1F 404104 GJNJDELEHIGPKJ-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro N#C[C@@H](C=O)c1ccc(Cl)cc1 166009 DAEXXSXAEMFPHQ-QMMMGPOBSA-N 179.606 2.146 30 50 AEEA in-vitro COc1cc(CC#N)ccc1Cl 38665632 XOSGKJSNVLAMGY-UHFFFAOYSA-N 181.622 2.415 30 50 AEEA CCO/C=C\B1OC(C)(C)C(C)(C)O1 169746038 MRAYNLYCQPAZJN-FPLPWBNLSA-N 198.071 2.168 30 50 AEEA in-vitro Fc1cccc(F)c1CS 4244663 WPLAKERHHWPZCA-UHFFFAOYSA-N 160.188 2.395 30 50 AEEA in-vitro Cc1cc(F)c(C#N)cc1F 19616056 JPNDTPNCYOHHFX-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA CSc1nc2c(cc1C#N)CCC2 46224 DCFRJBBKRAWXFX-UHFFFAOYSA-N 190.271 2.164 30 50 AEEA N#CCCOC(=O)Nc1ccccc1 1867045 FWJPVEDCJHXQIJ-UHFFFAOYSA-N 190.202 2.149 30 50 AEEA C=CC[C@]1(O)CCCCCCC1=O 43199233 XVFTUERCPQGMQF-NSHDSACASA-N 182.263 2.217 30 50 AEEA Cc1nc(C(F)(F)F)ccc1C#N 66367 MJTWLXULKGAFMN-UHFFFAOYSA-N 186.136 2.281 30 50 AEEA N#Cc1ccc2c(c1)[C@@H]1C[C@@H]3[C@H]2[C@@]13C#N 247636276 DOUYHVRLJRNOMQ-RNJOBUHISA-N 192.221 2.283 30 50 AEEA C[C@@]1(c2ccc(F)cc2F)O[C@H]1C#N 306278339 GLTUNHBWQWGQGC-UWVGGRQHSA-N 195.168 2.102 30 50 AEEA Cc1ccc(C)c(NC(=O)CC#N)c1 3243181 QZAFTTQVJSQWEN-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro Cc1c(C#N)[nH]c2ccccc12 3847681 XOILSNZVQVLOED-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA in-vitro C=CC[C@@H]1C=CC(=O)CC1 36040034 NXCVYYZJFBZNPQ-MRVPVSSYSA-N 136.194 2.098 30 50 AEEA C[Si](C)(C)C#Cc1ccccc1N 169747381 ISXSBRZDPKQYSC-UHFFFAOYSA-N 189.334 2.498 30 50 AEEA C[C@@]1(c2c(F)cccc2F)O[C@@H]1C#N 306632029 OMVUXYWDGOJWPC-PSASIEDQSA-N 195.168 2.102 30 50 AEEA CCCCCS 3860664 ZRKMQKLGEQPLNS-UHFFFAOYSA-N 104.218 2.106 30 50 AEEA endogenous,in-man N#Cc1nc2ccccc2s1 12360442 UYHQUNLVWOAJQW-UHFFFAOYSA-N 160.201 2.168 30 50 AEEA O=C1C=C[C@@H]2[C@@H]3c4ccccc4[C@H]1[C@H]23 101036832 UFMRJSPXCBNNAG-GWNIPJSYSA-N 182.222 2.252 30 50 AEEA N#CC1(c2ccc(Cl)nc2)CC1 95094276 FBIJKNDFKKNDOI-UHFFFAOYSA-N 178.622 2.290 30 50 AEEA in-vitro C/C=C\B1OC(C)(C)C(C)(C)O1 170174993 COPMASWDWLENMV-SREVYHEPSA-N 168.045 2.194 30 50 AEEA in-vitro CC(C)[C@@H]1C=CC(=O)[C@@H](C)C1 32135341 LQKVFPXPTBYWLF-DTWKUNHWSA-N 152.237 2.424 30 50 AEEA CCC(C)(CC)NCCC#N 96026973 OLXACGZHJOVTBD-UHFFFAOYSA-N 154.257 2.068 30 50 AEEA N#Cc1ccc(Oc2ccncc2)nc1 263624763 TZELQVGGTYUZKV-UHFFFAOYSA-N 197.197 2.141 30 50 AEEA C[C@]1(c2ccc(F)cc2F)O[C@H]1C#N 306278340 GLTUNHBWQWGQGC-VHSXEESVSA-N 195.168 2.102 30 50 AEEA CC(C)(C=O)CN1CCCCCC1 4516946 GHKFJELKWCPRQO-UHFFFAOYSA-N 183.295 2.088 30 50 AEEA in-vitro C=C(C)COc1ccc(N)cc1 9697652 DGQGVASSPJRUFI-UHFFFAOYSA-N 163.220 2.224 30 50 AEEA in-vitro Cc1cc2cccc(C#N)c2[nH]1 221507479 JEJCAKSOPUONOJ-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA N#Cc1ccc2cc(O)ccc2c1 403490 WKTNIBWKHNIPQR-UHFFFAOYSA-N 169.183 2.417 30 50 AEEA in-vitro CCC(=O)/C=C/c1ccc[nH]1 2519629 ABMGJRLTLOPEPO-AATRIKPKSA-N 149.193 2.007 30 50 AEEA COCOc1c(Cl)cccc1C#N 575447847 OSOCTYCXXJECRW-UHFFFAOYSA-N 197.621 2.194 30 50 AEEA Cc1ccc(F)c(C#N)c1 389864 CMAOLVNGLTWICC-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro CCCCCCCCNC(N)=S 2169709 QAKUNEDFMJPMGO-UHFFFAOYSA-N 188.340 2.180 30 50 AEEA in-vitro C/C=C\C(=N/CCC)OC 222044126 ZVOXMNJVGYVKJL-LJWGDIBWSA-N 141.214 2.017 30 50 AEEA O=CC1C2(CCC2)C12CCC2 1857784264 AFZGBKDGFYEASC-UHFFFAOYSA-N 150.221 2.156 30 50 AEEA O=CCC1CCCCC1 1765569 JJMDTERTPNYIGZ-UHFFFAOYSA-N 126.199 2.156 30 50 AEEA in-vitro N#Cc1cc(Br)ccc1O 2516785 PVCONXMDUZOPJH-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro O=CCc1cccc(C(F)(F)F)c1 48231359 LFHOLZIJDWJFKT-UHFFFAOYSA-N 188.148 2.447 30 50 AEEA in-vitro C=C1C[C@H]2CC[C@H]1C2 100697167 AJQVASAUQUTVJK-SFYZADRCSA-N 108.184 2.363 30 50 AEEA C=C[C@@]12C=C[C@@H](CC1)C[C@H]2C(=O)O 257357688 PKVPMTISVQPXDX-ATZCPNFKSA-N 178.231 2.230 30 50 AEEA C=C[C@@H](CCC)CC(=O)O 143280776 KZWOOKRTUFEPDG-ZETCQYMHSA-N 142.198 2.063 30 50 AEEA O=CCc1ccc(Cl)cc1 2581072 MWSNYBOKRSGWAN-UHFFFAOYSA-N 154.596 2.081 30 50 AEEA in-vitro Cc1cc(C#N)c(Cl)nc1C 33359745 BYVPJDZJIHOUHA-UHFFFAOYSA-N 166.611 2.224 30 50 AEEA in-vitro C#Cc1ccc(Br)s1 86014507 UYVDCGFLVLPESJ-UHFFFAOYSA-N 187.061 2.492 30 50 AEEA in-vitro FC(F)(F)CCCS 71792182 WBIVIQOXZMOCPK-UHFFFAOYSA-N 144.161 2.259 30 50 AEEA C#CCCCCCC#C 1667492 DMOVPHYFYSASTC-UHFFFAOYSA-N 120.195 2.203 30 50 AEEA C/C(=N\O)c1cc(F)cc(F)c1 72203295 OLANPVRYDYBVJT-VZUCSPMQSA-N 171.146 2.163 30 50 AEEA C=C1C2C=C[C@@H]3C1[C@H]3C=C2 101002826 ODDFIEFZIRYLLI-ZNHWEVIXSA-N 130.190 2.161 30 50 AEEA C=C[C@@]1(O)C[C@H]2C=C[C@@]1(C=C)CC2 104306627 FEHMGZRLCMAMLR-SDDRHHMPSA-N 176.259 2.446 30 50 AEEA C[C@@]1(C=O)CCCc2ccccc21 146427314 CXGQYHJVSLVHPE-LBPRGKRZSA-N 174.243 2.480 30 50 AEEA N#CCOc1ccc(Cl)cc1 1738561 YUGDKEWUYZXXRU-UHFFFAOYSA-N 167.595 2.242 30 50 AEEA in-vitro C=CCn1c(C(=O)O)cc2occc21 32501229 XNGDJABSUAOVCG-UHFFFAOYSA-N 191.186 2.119 30 50 AEEA CC(C)Oc1ccccc1C#N 5727369 MSFGJJZPHGNGCY-UHFFFAOYSA-N 161.204 2.345 30 50 AEEA in-vitro C=CCCOC(=O)c1ccccc1 32165725 HCAQKYMCZZDLGU-UHFFFAOYSA-N 176.215 2.420 30 50 AEEA N#CC1(c2cccnc2)CCCC1 38583199 GELFWLSHOSXXRT-UHFFFAOYSA-N 172.231 2.417 30 50 AEEA C=CCc1ccc(O)c(OC)c1 1411 RRAFCDWBNXTKKO-UHFFFAOYSA-N 164.204 2.129 30 50 AEEA endogenous,fda C=CCCCCC#N 2517086 ZLWQKLRMIQIHKQ-UHFFFAOYSA-N 109.172 2.256 30 50 AEEA C[C@@H](C#N)c1ccc(F)cc1[N+](=O)[O-] 44127078 VQYFQFGWWJAMTC-LURJTMIESA-N 194.165 2.361 30 50 AEEA CCCB1Oc2ccccc2O1 169876653 VIKLNEIFCBHZLL-UHFFFAOYSA-N 161.997 2.356 30 50 AEEA in-vitro CSC(/C=C/C(C)=O)SC 1857796735 FQOATLVVNMWBRI-SNAWJCMRSA-N 176.306 2.184 30 50 AEEA Cc1cc(C)c(C#N)c(C)c1 2146835 SNIZBGQMWRHNDY-UHFFFAOYSA-N 145.205 2.484 30 50 AEEA in-vitro C=C1CCC[C@@H]1C[N+](C)(C)C 3122365 MNJCUSJFXGCVSG-SNVBAGLBSA-N 154.277 2.049 30 50 AEEA Cc1ccc([C@H](C)CC=O)o1 2557908 DFSVNSCDOZSUCT-SSDOTTSWSA-N 152.193 2.281 30 50 AEEA endogenous,in-man C=C[C@@]12CC[C@@H]([C@H](OC)C1=O)C2(C)C 257356090 FQOIKNGDFXSSDD-HOTUBEGUSA-N 194.274 2.193 30 50 AEEA CCc1cc(C#N)ccc1NC(C)=O 153327 SQBQTZGZKSMASP-UHFFFAOYSA-N 188.230 2.079 30 50 AEEA in-vitro CCCC[C@@H](C=O)CC 1675680 LGYNIFWIKSEESD-QMMMGPOBSA-N 128.215 2.402 30 50 AEEA in-vitro N#Cc1cnc(Cl)c(Cl)c1 22995864 JBMLYEZUHCZNKT-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro CC1=C[C@H](C)[C@@H](C=O)[C@@H](C)C1 100047763 YJSUCBQWLKRPDL-LPEHRKFASA-N 152.237 2.424 30 50 AEEA endogenous,in-man C=C1[C@H]2CC[C@@]1(C)C(=O)C=C2C 101082954 YAUCTOFFWHFASV-GXSJLCMTSA-N 162.232 2.488 30 50 AEEA C=CC(C)(C)C 1699504 PKXHXOTZMFCXSH-UHFFFAOYSA-N 84.162 2.219 30 50 AEEA in-vitro CCCCCCCCN1CCNCC1 22028917 RRZDZQLIIMBIDL-UHFFFAOYSA-N 198.354 2.252 30 50 AEEA in-vitro FC(F)(F)[C@@]1(c2ccccc2)CO1 138027464 JCJQTSDFRCDMGF-QMMMGPOBSA-N 188.148 2.474 30 50 AEEA N#Cc1ccc2c(c1O)CCCC2 258032919 PHKUYTUWEYHMLO-UHFFFAOYSA-N 173.215 2.143 30 50 AEEA C=CC[C@@H]1CCCCC1=O 1765703 UPGHEUSRLZSXAE-MRVPVSSYSA-N 138.210 2.322 30 50 AEEA in-vitro CC/N=C/c1ccc([N+](=O)[O-])cc1 71774246 MZXACNROJRTMBS-JXMROGBWSA-N 178.191 2.034 30 50 AEEA Cc1cccc(C)c1/C=N/O 100145353 NCDRLKCHBVXWEL-UXBLZVDNSA-N 149.193 2.112 30 50 AEEA in-vitro N#CCOc1ccc(Cl)c(F)c1 134226748 YBTKGLQBGLCCSH-UHFFFAOYSA-N 185.585 2.381 30 50 AEEA in-vitro C[C@@H]1CC(C)(C)C[C@@]2(C1)O[C@@H]2C#N 307339061 VXZGWSIOSUDLAI-FXPVBKGRSA-N 179.263 2.494 30 50 AEEA C#CCSc1ccccc1 4977021 HXKVNRKJSSHQQY-UHFFFAOYSA-N 148.230 2.412 30 50 AEEA in-vitro C=C1C(=O)C[C@H]2C[C@H]1C2(C)C 100069021 TZDMGBLPGZXHJI-HTQZYQBOSA-N 150.221 2.178 30 50 AEEA endogenous,in-man CCC(S)CC 5298733 WICKAMSPKJXSGN-UHFFFAOYSA-N 104.218 2.105 30 50 AEEA CC1=C2CC[C@@H](C)[C@@H]2CC1=O 34226609 WTUDMZGQKTZBCN-MUWHJKNJSA-N 150.221 2.322 30 50 AEEA N#Cc1cc(Cl)c2cc[nH]c2n1 43220677 YJJYGYGAVOSCNG-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro CCCCCCCNC(C)=O 1599040 OHADWZGOXBOKDQ-UHFFFAOYSA-N 157.257 2.093 30 50 AEEA CC1=CC=CC(C)(C)CC1=O 1715897 QNGQIURXCUHNAT-UHFFFAOYSA-N 150.221 2.488 30 50 AEEA biogenic,in-vitro N#CCOc1cccc(Cl)c1 2146978 NHHNUPMHGVIQQC-UHFFFAOYSA-N 167.595 2.242 30 50 AEEA in-vitro Cc1c(F)cccc1C#N 2510745 DMQFTNHJWVKVGE-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro Cc1cc(CNC2CC2)ccc1C#N 159739686 BUYSDSQHZGRVOV-UHFFFAOYSA-N 186.258 2.119 30 50 AEEA C#C[C@]1(C)CCCC(C)(C)O1 3881851 XSDYMDMXNRPZHU-SNVBAGLBSA-N 152.237 2.357 30 50 AEEA C=C(C)CC1CC1 196383314 MVWDDTPRVMNSTO-UHFFFAOYSA-N 96.173 2.363 30 50 AEEA N#CCc1ccc(Cl)cc1 157142 IVYMIRMKXZAHRV-UHFFFAOYSA-N 151.596 2.406 30 50 AEEA in-vitro CC1=C/C(=N\O)C[C@H](C)C1 4765042 JUJKSXCZYPGETN-BDGYDECCSA-N 139.198 2.193 30 50 AEEA N#Cc1cc(Cl)cnc1Cl 34249987 CZKCARRNABGWOH-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro C#Cc1ccc(OCC)c(F)c1 159850186 MRORUJPBOBHBLB-UHFFFAOYSA-N 164.179 2.206 30 50 AEEA C=CC[C@@]1(O)CCCC[C@]1(O)CC=C 43198565 ZXJKALDMAVBZLF-VXGBXAGGSA-N 196.290 2.175 30 50 AEEA C=CCc1cnc2cccnc2c1 66054283 PIBDYTSYVSHOPH-UHFFFAOYSA-N 170.215 2.358 30 50 AEEA in-vitro CCCCCCOCC#N 3130521 VEAMDGDGVPXWDQ-UHFFFAOYSA-N 141.214 2.107 30 50 AEEA CCOc1ccc(/C=N/C)cc1OC 2166325 DLJRNHFVYXFAGC-XYOKQWHBSA-N 193.246 2.143 30 50 AEEA Cc1c(F)cc(C#N)cc1F 39953633 AIHPFQMICHSKGT-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA in-vitro N#Cc1cc(Cl)c(O)cc1F 257943806 DRCQGCIMPNFWFJ-UHFFFAOYSA-N 171.558 2.056 30 50 AEEA C#CCNCc1ccccc1Cl 19872506 KSAMHSXAYRDRIC-UHFFFAOYSA-N 179.650 2.063 30 50 AEEA in-vitro Cc1ccc2oc(=O)c(C#N)c(C)c2c1 58012 UXGFULJYXBXUDP-UHFFFAOYSA-N 199.209 2.282 30 50 AEEA biogenic,in-vitro CC(=O)C[C@H]1[C@H](CC#N)C1(C)C 34164851 KRZTYSCUOUIFHR-IUCAKERBSA-N 165.236 2.151 30 50 AEEA in-vitro C=CCNC(=O)c1cc(C)ccc1C 70223167 DXNGPFVIXWUOMZ-UHFFFAOYSA-N 189.258 2.219 30 50 AEEA CC(C)(C#N)c1cccc(N)c1 72482087 HNABISIMXKEHQF-UHFFFAOYSA-N 160.220 2.070 30 50 AEEA O/N=C1\CC[C@H]2CCC[C@H]1C2 100318047 JQFMMZYYTWZDBQ-CRZLOUGTSA-N 153.225 2.417 30 50 AEEA O/N=C(/c1ccccc1)c1ccncc1 4567774 SNRZFINAACEZKZ-OWBHPGMISA-N 198.225 2.308 30 50 AEEA CC(C)N[C@H](C#N)c1ccccc1 19986696 MFLCKIALFSSKDT-LLVKDONJSA-N 174.247 2.249 30 50 AEEA C[C@H]1C(=O)CCC(C)(C)[C@H]1CC=O 43762686 TYHPGCJOWYGLET-BDAKNGLRSA-N 182.263 2.217 30 50 AEEA O=C1C=Cc2ccccc2CC1 39256850 WEUZOPCONXLPEE-UHFFFAOYSA-N 158.200 2.215 30 50 AEEA C=C1CC[C@H]2C(C)(C)[C@@]12C(=O)OC 45071551 CEBKSMSGMSVUKQ-KWQFWETISA-N 180.247 2.152 30 50 AEEA [N-]=[N+]=Nc1cccc(C=O)c1 139079064 UCJDGRYGBYCWMS-UHFFFAOYSA-N 147.137 2.441 30 50 AEEA C=C(C)c1ccc(O)cc1 13542640 JAGRUUPXPPLSRX-UHFFFAOYSA-N 134.178 2.425 30 50 AEEA Cn1ccc2cccc(CC#N)c21 137231364 RDPOKJNELSFVJV-UHFFFAOYSA-N 170.215 2.244 30 50 AEEA C=C(C)[C@H]1CC=C(C)[C@@H](O)C1 967800 BAVONGHXFVOKBV-UWVGGRQHSA-N 152.237 2.280 30 50 AEEA endogenous,in-man O=C[C@]1(c2ccccc2)C[C@@H](F)C1 725241248 GRZFRYPIOPPFTF-PHIMTYICSA-N 178.206 2.255 30 50 AEEA CC(=O)C(=Cc1ccccc1)C(C)=O 1667495 NYRGMNMVISROGJ-UHFFFAOYSA-N 188.226 2.248 30 50 AEEA N#Cc1nc(Cl)ccc1Cl 139475 AFSVHZPQZBOZDK-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro N#CCC(=O)c1cccc(F)c1F 2579800 FVLXLORMUYGZQK-UHFFFAOYSA-N 181.141 2.061 30 50 AEEA N#C[C@@H]1OC12CCCCCC2 225231800 OPHREDJYBDGDQQ-QMMMGPOBSA-N 151.209 2.002 30 50 AEEA CCCCCCCC[C@@H](O)CO 1646612 YSRSBDQINUMTIF-SNVBAGLBSA-N 174.284 2.090 30 50 AEEA in-vitro C=CC1(O)CCC=CCC1 43198626 MDZNVCREDWXRHW-UHFFFAOYSA-N 138.210 2.034 30 50 AEEA CC1=C(OCC(C)C)C(=O)CC1 71773335 VSLRDBIUBKDKPM-UHFFFAOYSA-N 168.236 2.296 30 50 AEEA COc1ccc2oc(C#N)cc2c1 4050475 DFNSXSVDXRIROD-UHFFFAOYSA-N 173.171 2.313 30 50 AEEA C/C(=N\O)C(=O)c1ccc(C)cc1 100067264 IMBLTYBXLURCBI-DHZHZOJOSA-N 177.203 2.028 30 50 AEEA CCCCCCCC(=O)N(C)C 2039897 VHRUBWHAOUIMDW-UHFFFAOYSA-N 171.284 2.435 30 50 AEEA C=CCNCc1ccc(C)cc1 8550081 PRUULPKRGUFODM-UHFFFAOYSA-N 161.248 2.271 30 50 AEEA C[C@]1(c2ccc(F)c(F)c2)O[C@H]1C#N 306674761 RBSZGHUFFQCBBM-VHSXEESVSA-N 195.168 2.102 30 50 AEEA C=CCc1ccccc1 1561526 HJWLCRVIBGQPNF-UHFFFAOYSA-N 118.179 2.415 30 50 AEEA in-vitro C=C[C@H](C)CC 1699371 LDTAOIUHUHHCMU-LURJTMIESA-N 84.162 2.219 30 50 AEEA in-vitro C=C(Cl)CNC(C)(C)C 57898381 FIUOOQWEGAFTEG-UHFFFAOYSA-N 147.649 2.127 30 50 AEEA Cc1ccc(C)c(C#N)c1F 147434937 STDPQLHWXQBDKV-UHFFFAOYSA-N 149.168 2.314 30 50 AEEA N#Cc1cccc(-n2cccc2C=O)c1 161806 VDERABPBRHOLJS-UHFFFAOYSA-N 196.209 2.161 30 50 AEEA in-vitro N#Cc1ccc(O)c2c1CCCC2 143563004 MUIKASWEAWENED-UHFFFAOYSA-N 173.215 2.143 30 50 AEEA CC(C)(C#N)[C@@H](O)c1ccccc1 294804 KRKKSXYOZJKIQS-JTQLQIEISA-N 175.231 2.270 30 50 AEEA N#Cc1cc2cccnc2cc1F 98213240 ZZRZPSBJVJCWIC-UHFFFAOYSA-N 172.162 2.246 30 50 AEEA CCN(CC)CC#Cc1ccccc1 1241856 NGTMXVYXKKHDPO-UHFFFAOYSA-N 187.286 2.380 30 50 AEEA in-vitro N#Cc1cc2ccccc2[nH]1 3123101 CBTITARLOCZPDU-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA in-vitro N#Cc1c(Cl)nsc1Cl 1737192 RUNARDFVMLWILC-UHFFFAOYSA-N 179.031 2.322 30 50 AEEA in-vitro O=C1C=Cc2ccccc2[C@H]2C[C@@H]12 45028009 BTYOJOLATHBNOE-GHMZBOCLSA-N 170.211 2.386 30 50 AEEA C=C[C@@H](C)C(C)C 1699522 WFHXQNMTMDKVJG-SSDOTTSWSA-N 98.189 2.465 30 50 AEEA C/N=C(\S)Nc1ccc(C)cc1 8684183 IIMGWZIVKIMTGU-UHFFFAOYSA-N 180.276 2.323 30 50 AEEA C/C1=C/C(=O)/C=C\C/C=C\C1 39059093 YEMWBLZEACIMTI-ZPYGSGSSSA-N 148.205 2.408 30 50 AEEA C/C(=N/O)c1ccc(C)cc1 100309806 XAAUYUMBCPRWED-NTMALXAHSA-N 149.193 2.193 30 50 AEEA C=C(C)[C@H]1CC(=O)[C@@H](C)[C@H](C#N)C1 950733956 VRUMBVSOGMYXKH-AEJSXWLSSA-N 177.247 2.317 30 50 AEEA Cc1cnc(Br)c(C#N)c1 39242374 OXULGZNPTSIVHO-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA N#Cc1c(Cl)cccc1[N+](=O)[O-] 167153 ZHLCARBDIRRRHD-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA C=CC[C@]1(C)C(=O)C=C[C@H]1C 2173608 PKTWPJBPAQOWTD-SCZZXKLOSA-N 150.221 2.344 30 50 AEEA CC(C)(C)Nc1ccc(C#N)cc1N 35674452 OGNFTCWGTJULNT-UHFFFAOYSA-N 189.262 2.351 30 50 AEEA in-vitro CC1(C)[C@H]2C[C@@H]3O[C@@]3(C)C[C@H]21 115690982 AGHSZSJVJPSERC-ODHVRURNSA-N 152.237 2.210 30 50 AEEA N#Cc1cccc2cnccc12 54756 XVJDHUCBVHTPGE-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C=CCCC(O)(CCO)CCC=C 43198620 OPNDBYZLRVZIQH-UHFFFAOYSA-N 184.279 2.032 30 50 AEEA N#Cc1cc(F)ccc1OCC1CC1 82522826 MWRGKVOKHWPFFT-UHFFFAOYSA-N 191.205 2.486 30 50 AEEA CSc1ccccc1/C=N/O 106581490 UCWOXNBHHIHIMO-RMKNXTFCSA-N 167.233 2.217 30 50 AEEA Cc1cc([N+](=O)[O-])c(C)cc1C#N 1694603 AIJHILQDGSFDQP-UHFFFAOYSA-N 176.175 2.083 30 50 AEEA in-vitro C=CCC1(O)CCCCC1 2163959 ZSLKGUQYEQVKQE-UHFFFAOYSA-N 140.226 2.258 30 50 AEEA N#CCc1c[nH]c2ccc(F)cc12 2539063 HHMIZCBOTYJRQU-UHFFFAOYSA-N 174.178 2.373 30 50 AEEA in-vitro CC1(C)Cc2cccc(CC#N)c2O1 214482295 VJCZMCILGJLFOL-UHFFFAOYSA-N 187.242 2.466 30 50 AEEA O=CC(F)(F)C(F)(F)C(F)(F)F 1847488 IQJZGNJYXIIMGP-UHFFFAOYSA-N 198.037 2.018 30 50 AEEA in-vitro OCc1ccc(C#Cc2ccccc2)o1 58490 XJHGMKKUJLZHBT-UHFFFAOYSA-N 198.221 2.172 30 50 AEEA Cc1ccc(F)c(CC#N)c1F 2574952 GFRRAKSFMPQZLY-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA in-vitro N#Cc1c(Cl)ccnc1Cl 21981797 OQYZEFBWEXEOPL-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro Cc1cccc(F)c1C#N 16159976 UCSKOUQDVWADGZ-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro C[Si](C)(C)C#CC1CC1 169743360 IYQSVLJDYLPMCX-UHFFFAOYSA-N 138.286 2.277 30 50 AEEA in-vitro C=C[C@@]12C=C[C@@H](CC1)C[C@@H]2C(=O)O 43198899 PKVPMTISVQPXDX-IQJOONFLSA-N 178.231 2.230 30 50 AEEA c1ccc(COC2C[C@@H]3O[C@H]3C2)cc1 116179318 CWRSDAPNEGDROZ-RYUDHWBXSA-N 190.242 2.133 30 50 AEEA in-vitro N#Cc1c[nH]c2nc(Cl)ccc12 95910907 WYLJIMWJDQEDNH-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro C[C@]1(c2cc(F)ccc2F)O[C@H]1C#N 306476073 YMKJOIQBGAKZHM-VHSXEESVSA-N 195.168 2.102 30 50 AEEA C[C@@]1(c2ccccc2Cl)O[C@@H]1C#N 307165028 MSINREDVMWPZBS-ZJUUUORDSA-N 193.633 2.478 30 50 AEEA C=CC[C@H](O)c1ccccc1OC 404144 VWOGPWOUPIUOFK-JTQLQIEISA-N 178.231 2.305 30 50 AEEA C=C(C)C(=O)Oc1ccccc1 1725147 QIWKUEJZZCOPFV-UHFFFAOYSA-N 162.188 2.168 30 50 AEEA in-vitro C[C@H](C=O)C1CCCCC1 2046385 UQURIQWAEZGLAC-MRVPVSSYSA-N 140.226 2.402 30 50 AEEA C[C@H]1O[C@@H]1c1ccccc1 2539357 YVCOJTATJWDGEU-APPZFPTMSA-N 134.178 2.146 30 50 AEEA C=CCSC1=NCCS1 5185842 HOULSWDLZNLUIV-UHFFFAOYSA-N 159.279 2.008 30 50 AEEA [N-]=[N+]=Nc1ccc(N)cc1 12956370 SSMVDPYHLFEAJE-UHFFFAOYSA-N 134.142 2.211 30 50 AEEA in-vitro Cc1c(/C=N/O)c2ccccc2n1C 13115117 ALPRXCPXIOIWSS-KPKJPENVSA-N 188.230 2.295 30 50 AEEA CCSc1ccc(C#N)nc1 122615212 NUESGSZTWBNLPP-UHFFFAOYSA-N 164.233 2.065 30 50 AEEA CC[C@]1(c2ccc(F)cc2)O[C@H]1C#N 306297988 DDTTWMZIGFUBQB-WDEREUQCSA-N 191.205 2.353 30 50 AEEA N#CCc1cc2ccccc2o1 34611834 OPDLHQOQMQIFLC-UHFFFAOYSA-N 157.172 2.499 30 50 AEEA in-vitro C[N+]1(CC#CC2CC2)CCCCC1 1233101 GMYVSDWPZYRIDA-UHFFFAOYSA-N 178.299 2.030 30 50 AEEA ON=C1C2CC3CC(C2)CC1C3 156568 RABVIFXMFZFITE-UHFFFAOYSA-N 165.236 2.273 30 50 AEEA C[C@](C=O)(CCC#N)c1ccccc1 2170512 RNDCUHACESDKAR-GFCCVEGCSA-N 187.242 2.447 30 50 AEEA C[C@@]1(CCC#N)C=CC(=O)CC1 6931067 BSGQNJVNTQSPBC-SNVBAGLBSA-N 163.220 2.216 30 50 AEEA N#CCc1cc(Cl)ccc1[N+](=O)[O-] 157905 RSTBSJBPGRATIV-UHFFFAOYSA-N 196.593 2.314 30 50 AEEA in-vitro C=CCOc1cccc(NC(C)=O)c1 1556317 MEOYFYAOVTULPJ-UHFFFAOYSA-N 191.230 2.210 30 50 AEEA in-vitro C[C@]12C=CC(=O)C[C@H]1CC=CC2 1604437 HAJWWOSVOWYULL-KOLCDFICSA-N 162.232 2.488 30 50 AEEA C/N=C/[C@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 137418405 KAKIQCUKNLFWTN-WEOKFVINSA-N 195.306 2.120 30 50 AEEA C=CC[C@@H]1[C@@H](O)C[C@H]1OC(C)(C)C 1535639443 BTCSCRDLMPZUGU-KXUCPTDWSA-N 184.279 2.127 30 50 AEEA Cc1cccc(C)c1NN=C(C#N)C#N 300623 AESNVRCRYPWMDV-UHFFFAOYSA-N 198.229 2.119 30 50 AEEA CCC(=O)[C@H](C#N)c1ccccc1 1668473 CDTCQMCSOFAGDD-SNVBAGLBSA-N 173.215 2.273 30 50 AEEA C[C@@]1(c2ccc(F)c(F)c2)O[C@@H]1C#N 306674762 RBSZGHUFFQCBBM-ZJUUUORDSA-N 195.168 2.102 30 50 AEEA Cc1ccc(NC(=O)CCS)cc1 393923 GFSJBUDXTRNXAV-UHFFFAOYSA-N 195.287 2.253 30 50 AEEA N#Cc1cc(F)cc(F)c1Cl 98214267 RTWUBSCJNAEEQP-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA N#CC1(c2ccc(C=O)cc2)CC1 113638339 WWJFHLHOOLLNBV-UHFFFAOYSA-N 171.199 2.054 30 50 AEEA in-vitro C=C[C@H](OC(C)=O)c1ccccc1 4824319 WAUKBOOEPYNAGU-NSHDSACASA-N 176.215 2.477 30 50 AEEA C=CCc1cc(C(C)=O)ccc1O 161209 XVTCWUFLNLZPEJ-UHFFFAOYSA-N 176.215 2.323 30 50 AEEA in-vitro C#C[C@@]1(C)CCCC(C)(C)O1 2255780 XSDYMDMXNRPZHU-JTQLQIEISA-N 152.237 2.357 30 50 AEEA CCCNc1ccc(C#N)cc1 19867410 LIXFWOACMYYMSI-UHFFFAOYSA-N 160.220 2.380 30 50 AEEA in-vitro C[C@]1(c2cccc(Cl)c2)O[C@@H]1C#N 307154210 KNRMWYRPWFHGCX-NXEZZACHSA-N 193.633 2.478 30 50 AEEA C[C@@H]1CC(C)(C)C[C@]2(C1)O[C@@H]2C#N 307339062 VXZGWSIOSUDLAI-KKZNHRDASA-N 179.263 2.494 30 50 AEEA C=CCC(O)(CC)CC 1614581 ZNPHYMBSDNDCCM-UHFFFAOYSA-N 128.215 2.114 30 50 AEEA O=CCCCCC1CC1 215653499 FRYKIPDMAMKMDF-UHFFFAOYSA-N 126.199 2.156 30 50 AEEA Cc1ccc(NC(=O)CC#N)c(C)c1 143752 PGRWYBYKTWXNDT-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro O=C1C=CC23C=CC=CC12C=CC=C3 44143771 YHNHBORANZJLQT-UHFFFAOYSA-N 182.222 2.350 30 50 AEEA C#Cc1ccc(Cl)c(OC)c1 86698347 GEHCRAOKMUUIPE-UHFFFAOYSA-N 166.607 2.330 30 50 AEEA in-vitro Cc1ccc(CC#N)c(F)c1F 2382369 PSKCXHODUFMOLE-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA in-vitro COc1c(C)cc(C#N)cc1C 2586007 LOWLIBHYJIAZTN-UHFFFAOYSA-N 161.204 2.184 30 50 AEEA in-vitro N#C[C@H]1C[C@H]1c1ccccc1 4787071 KUCVFITUDJTMFA-ZJUUUORDSA-N 143.189 2.314 30 50 AEEA CCC[C@H](C)CC=O 5841087 ZSJUABCTGCNBPF-ZETCQYMHSA-N 114.188 2.012 30 50 AEEA endogenous,in-man C#CCn1cnc(-c2ccccc2)c1 685944164 UEUPHUJSTAPYDN-UHFFFAOYSA-N 182.226 2.183 30 50 AEEA Cc1ccc(C)c(CC=O)c1 2581089 ZQYRUEGZDBJZET-UHFFFAOYSA-N 148.205 2.045 30 50 AEEA C=C(C)COc1ccccc1N 9697654 KXWXNGOHHAPVBZ-UHFFFAOYSA-N 163.220 2.224 30 50 AEEA C=CCC(=C)C 2031170 DRWYRROCDFQZQF-UHFFFAOYSA-N 82.146 2.139 30 50 AEEA in-vitro C[C@]1(c2ccc(F)c(F)c2)O[C@@H]1C#N 306674759 RBSZGHUFFQCBBM-NXEZZACHSA-N 195.168 2.102 30 50 AEEA CCc1ccc(OC[C@H]2CO2)cc1 2164285 AQKZSTFCPAOFIV-NSHDSACASA-N 178.231 2.027 30 50 AEEA in-vitro N#Cc1ccc2nc(Cl)cnc2c1 115082562 KVYFAZZUKRBQDA-UHFFFAOYSA-N 189.605 2.155 30 50 AEEA N#Cc1ccc2[nH]ccc2c1 157017 YHYLDEVWYOFIJK-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA in-vitro C#C[C@@H](C)CCC 2579240 OPZULQHRFNTFFZ-SSDOTTSWSA-N 96.173 2.056 30 50 AEEA C[C@H](C=O)COCc1ccccc1 34179737 XYUPRHVYEKOWCD-SNVBAGLBSA-N 178.231 2.038 30 50 AEEA C=C/C(O)=N/C1(C2CC2)CCOCC1 328600585 YVMXHVNTLQLPIL-UHFFFAOYSA-N 195.262 2.088 30 50 AEEA CCCCCCCCOCCO 2043163 ZQCIMPBZCZUDJM-UHFFFAOYSA-N 174.284 2.356 30 50 AEEA in-vitro Cc1ccc(CC#N)c(F)c1 2243232 CYKIAFUFMNTJCA-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA Cc1cc(C)cc(C#N)c1 2528205 YFKRLZLGVDDKAL-UHFFFAOYSA-N 131.178 2.175 30 50 AEEA in-vitro CC1(C)CC=CC(=O)CC1 45071140 WFPYTWOJEKTLSR-UHFFFAOYSA-N 138.210 2.322 30 50 AEEA C#CCNc1ccc(F)cc1F 39320000 WTMFSLDKBWEALP-UHFFFAOYSA-N 167.158 2.010 30 50 AEEA C=C(C)CN(CC)Cc1[nH]cnc1C 214594 VOOFXNKOZVZASZ-UHFFFAOYSA-N 193.294 2.116 30 50 AEEA C=CCCNCc1ccccc1 2573713 DGTNEDHBSGFIBX-UHFFFAOYSA-N 161.248 2.352 30 50 AEEA in-vitro Cc1c(N)ccc(C#N)c1Cl 40448435 RNTRNRRXHOGTLD-UHFFFAOYSA-N 166.611 2.102 30 50 AEEA in-vitro Cc1ccc(C#N)c(C#N)c1C 138539034 CIULPBFCSZUVLV-UHFFFAOYSA-N 156.188 2.047 30 50 AEEA Cc1cc(O)c(Cl)cc1C#N 257907360 AEYLQGYNRNPYKZ-UHFFFAOYSA-N 167.595 2.226 30 50 AEEA CCCCCCCCOCC(=O)O 1566426 HPSBYYHIHGQARI-UHFFFAOYSA-N 188.267 2.448 30 50 AEEA in-vitro C/C(N)=C1\CCCCCCC1=O 5908995 SMCZATXLZPMGEZ-HJWRWDBZSA-N 167.252 2.142 30 50 AEEA [N-]=[N+]=Nc1ccc(C(=O)O)cc1 12470970 PQXPAFTXDVNANI-UHFFFAOYSA-N 163.136 2.327 30 50 AEEA in-vitro CC(C)=NNc1ccccc1C(=O)O 39083825 MXFWBQNNPXWYIF-UHFFFAOYSA-N 192.218 2.193 30 50 AEEA O=C1C=Cc2ccccc2[C@@H]2C[C@@H]12 101037279 BTYOJOLATHBNOE-WDEREUQCSA-N 170.211 2.386 30 50 AEEA C=C(C)[CH]C(=C)C 1501010216 ALAAXASOSPHCDH-UHFFFAOYSA-N 95.165 2.343 30 50 AEEA C=C[C@H]1CC[C@H](C=C)OC1 2013266 JRUPYIDCDOLUPI-IUCAKERBSA-N 138.210 2.154 30 50 AEEA N#CCOC/C=C/c1ccccc1 3122129 NCCQCIAYLKHTPZ-QPJJXVBHSA-N 173.215 2.240 30 50 AEEA N#CC12CCCC(C(=O)O)(CC1)CC2 238682247 VJRPFPJVCUHZGE-UHFFFAOYSA-N 193.246 2.325 30 50 AEEA C=CCc1ccc(C(=O)O)cc1 2579566 YBCFIVNTXHMQGZ-UHFFFAOYSA-N 162.188 2.113 30 50 AEEA O=CC1CCC(F)(F)CC1 39061711 DNSDOTKSZMHDOR-UHFFFAOYSA-N 148.152 2.011 30 50 AEEA in-vitro Cc1ccc(-c2ncccn2)c(C#N)c1 140488541 ACBRZBTVCIFPCJ-UHFFFAOYSA-N 195.225 2.324 30 50 AEEA Fc1ccc(F)c(CS)c1 4244662 SXZSUEJZTSCAJZ-UHFFFAOYSA-N 160.188 2.395 30 50 AEEA CC(=O)[C@@H](C#N)c1ccccc1F 33610904 AMRZXBJBTQMMOR-SECBINFHSA-N 177.178 2.022 30 50 AEEA in-vitro C#Cc1cccc2c1CCC2 214466111 JIYHFAHIJYNILC-UHFFFAOYSA-N 142.201 2.157 30 50 AEEA Cc1ccccc1/C(N=[N+]=[N-])=N/O 307190463 XPYHMKDTCWWPKX-FLIBITNWSA-N 176.179 2.441 30 50 AEEA CCOc1ccccc1CC#N 2565990 XXLCVIZGVFWXFL-UHFFFAOYSA-N 161.204 2.151 30 50 AEEA in-vitro NCC12C[C@H]3C[C@@H](CC(S)(C3)C1)C2 105537689 VXVYORDMDWTJDI-NKVNRFPTSA-N 197.347 2.214 30 50 AEEA C=CC[C@@H](O)C(Cl)(Cl)Cl 34599565 QLDZQNAMMBMMCT-SCSAIBSYSA-N 189.469 2.294 30 50 AEEA C#Cc1ccc(Cl)cc1 1845607 LFZJRTMTKGYJRS-UHFFFAOYSA-N 136.581 2.321 30 50 AEEA in-vitro C[C@H](CS)C(=O)Nc1ccccc1 3876635 HYSZMMFJUPRULF-MRVPVSSYSA-N 195.287 2.191 30 50 AEEA C=CCOCc1ccccc1 2555302 HUGHWHMUUQNACD-UHFFFAOYSA-N 148.205 2.389 30 50 AEEA in-vitro C=CCNCc1ccc(OCC)cc1 8324068 QSPQYVFGEBMVQQ-UHFFFAOYSA-N 191.274 2.361 30 50 AEEA in-vitro C[C@]1(C=O)CCCc2ccccc21 146427122 CXGQYHJVSLVHPE-GFCCVEGCSA-N 174.243 2.480 30 50 AEEA N#C[C@@H]1O[C@]12CCCc1ccccc12 148609499 DBMVWSSEIFXVGH-RYUDHWBXSA-N 185.226 2.141 30 50 AEEA CCc1c(F)cccc1C#N 204031419 SUEGSGMSYHLXEX-UHFFFAOYSA-N 149.168 2.260 30 50 AEEA CN(C)CC[C@H](C#N)c1ccccc1 1593275 SKQMIWWQYUSWFP-GFCCVEGCSA-N 188.274 2.245 30 50 AEEA CC1=C(Cl)CCCC1=O 4825911 DOVGQLDKIZBQJI-UHFFFAOYSA-N 144.601 2.252 30 50 AEEA C=C(C)c1cc(F)ccc1N 141528737 VYHRFFGLNBSXKI-UHFFFAOYSA-N 151.184 2.441 30 50 AEEA N#CCc1cccc2ccoc12 114911129 GPHVJVMHDWVUFB-UHFFFAOYSA-N 157.172 2.499 30 50 AEEA N#C[C@]1(c2ccc(F)cc2)CCOC1 19093013 XAZPZBFARYPVAS-LLVKDONJSA-N 191.205 2.007 30 50 AEEA in-vitro N#Cc1c(F)cccc1Cl 155197 XPTAYRHLHAFUOS-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro N#CCc1ccc(F)c(F)c1 155245 GNPYERUNJMDEFQ-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA O=C1C=CC(=Nc2ccc(O)cc2)C=C1 4202343 RSAZYXZUJROYKR-UHFFFAOYSA-N 199.209 2.160 30 50 AEEA in-vitro N#C[C@@H]1CCCC[C@]12OCCS2 44125667 JQHYQNMGUYCGNM-DTWKUNHWSA-N 183.276 2.160 30 50 AEEA N#Cc1ccccc1C(F)F 83406735 VZLPLYDPKXQAIA-UHFFFAOYSA-N 153.131 2.496 30 50 AEEA in-vitro N#Cc1cccc(-c2ccc(N)nc2)c1 16946507 DKTXBIIMOGXSQM-UHFFFAOYSA-N 195.225 2.202 30 50 AEEA c1cnc2c(c1)[C@@H]1O[C@H]1c1cccnc1-2 967119 GGQHROHZSIPVQE-RYUDHWBXSA-N 196.209 2.270 30 50 AEEA N#CCC1CCCC1 1627371 BKMDIBDWHXWKSV-UHFFFAOYSA-N 109.172 2.090 30 50 AEEA in-vitro N#CCCC[C@H](C#N)CCC#N 2039257 LNLFLMCWDHZINJ-VIFPVBQESA-N 161.208 2.124 30 50 AEEA in-vitro Cc1ccc(C#N)cc1F 2526234 KUQQONVKIURIQU-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)O)C2 299204 JBNCRMFOHKBEFO-KWQFWETISA-N 180.247 2.454 30 50 AEEA Cc1ccc([C@@]2(C)O[C@H]2C#N)c(C)c1 306159112 AOBXRJSNVUSRFO-NWDGAFQWSA-N 187.242 2.441 30 50 AEEA CCN(CC)Cc1ccc(C#N)cc1 19513245 XWLYXADFVFHUKA-UHFFFAOYSA-N 188.274 2.400 30 50 AEEA in-vitro Fc1ccc([C@H]2CO2)cc1F 22165570 UNJRFWWCCAHSRB-MRVPVSSYSA-N 156.131 2.036 30 50 AEEA in-vitro COc1cccc(C(C)(C)C#N)c1 34278663 YMUMJIHZRRIBPK-UHFFFAOYSA-N 175.231 2.496 30 50 AEEA C=CCc1ccc(OC)c(OC)c1 388674 ZYEMGPIYFIJGTP-UHFFFAOYSA-N 178.231 2.432 30 50 AEEA endogenous,in-man C=CC[C@](C)(O)CCC 2164094 PYKQMQBNPLNLPS-QMMMGPOBSA-N 128.215 2.114 30 50 AEEA in-vitro C#CCSc1ccc(O)c(C)c1 231538289 GMUBHMKUAQTOBE-UHFFFAOYSA-N 178.256 2.426 30 50 AEEA C=CCC(C)(C)C(C)=O 39253196 AICKKCPBGSMRJG-UHFFFAOYSA-N 126.199 2.178 30 50 AEEA N#Cc1c(Cl)cccc1C=O 49582062 YJNHLGKBKBWMNT-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro N#C[C@]12C[C@@H]3c4ccccc4[C@H]1[C@H]32 257356182 GORJTZLAMQKEAM-NOOOWODRSA-N 167.211 2.411 30 50 AEEA CCOc1cccc(F)c1C#N 2548567 HVAKERNUWAPZOR-UHFFFAOYSA-N 165.167 2.096 30 50 AEEA in-vitro C/C(O)=N\c1ccc(O)cc1 13550868 RZVAJINKPMORJF-UHFFFAOYSA-N 151.165 2.000 30 50 AEEA biogenic,fda N#Cc1cccc(C(F)F)c1 71790071 IIIPGVXKHUPPJQ-UHFFFAOYSA-N 153.131 2.496 30 50 AEEA in-vitro O=C[C@@H]1C[C@H]1c1cccs1 218032314 QZDCRYDQWFHYQE-NKWVEPMBSA-N 152.218 2.051 30 50 AEEA N#CCc1ccc(OC(F)F)cc1 2560143 LSFWUQCOTXRZHH-UHFFFAOYSA-N 183.157 2.354 30 50 AEEA in-vitro C#Cc1cccc(Cl)c1 2513044 GRBJPHPMYOUMJV-UHFFFAOYSA-N 136.581 2.321 30 50 AEEA in-vitro C[C@H]1CCC[C@@H](C)C1=NO 15767379 PHLQNGDQAIKEMA-KNVOCYPGSA-N 141.214 2.273 30 50 AEEA CO[C@H](C=O)C1CCC(F)(F)CC1 885590719 ZKPUPYFNVFVMKU-MRVPVSSYSA-N 192.205 2.026 30 50 AEEA C=CCNCc1ccc(C)s1 8551021 PRNNQJGGDNDFLP-UHFFFAOYSA-N 167.277 2.332 30 50 AEEA N#Cc1c(F)ccc(Cl)c1F 12359193 QYALCKFGISNFMJ-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA in-vitro N#Cc1c(Cl)cncc1Cl 12958800 MUHBRCUFWMUBNP-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro N#Cc1ccc(Cl)s1 36893202 MZALEEOEVCTDJA-UHFFFAOYSA-N 143.598 2.273 30 50 AEEA Cc1n[nH]cc1-c1ccccc1C#N 725271221 AHHTVOQKAQZLNT-UHFFFAOYSA-N 183.214 2.257 30 50 AEEA C#C[C@@H]1CCN(Cc2ccccc2)C1 238004396 KLZFBGALELQEMD-GFCCVEGCSA-N 185.270 2.142 30 50 AEEA in-vitro N#Cc1c(F)c(F)cc(F)c1F 155260 IOQMWOBRUDNEOA-UHFFFAOYSA-N 175.084 2.115 30 50 AEEA in-vitro COc1ccc(O)c(/C=C/C(C)=O)c1 28524980 JLLCHCSFSHOAQQ-ONEGZZNKSA-N 192.214 2.003 30 50 AEEA C=C[C@]1(C)CCCC2(C1)OCCO2 71786938 ZXNHGTQNUDTZTJ-SNVBAGLBSA-N 182.263 2.496 30 50 AEEA N#Cc1cccc(O)c1Br 75629378 DGKTUNIJIIPACU-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA CCN(CC)Cc1ccccc1C#N 4218296 RXOWGZSDKIPFGO-UHFFFAOYSA-N 188.274 2.400 30 50 AEEA CCCCCCCCOCCN 60007718 KSWGVAGIYWRZBT-UHFFFAOYSA-N 173.300 2.322 30 50 AEEA Cc1cc(CC#N)c(F)cc1F 213895443 WWRYGJNKJYEWFY-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA Cc1ccc([C@@]2(C)O[C@H]2C#N)cc1C 307375820 ZRHSHJOTBXLXQD-NWDGAFQWSA-N 187.242 2.441 30 50 AEEA N#Cc1ncc(C(F)(F)F)cc1F 39298535 APIYAXCKQVOAAR-UHFFFAOYSA-N 190.099 2.111 30 50 AEEA in-vitro C=C[C@@H]1C[C@@H]2C=C[C@H]1C2 57986604 INYHZQLKOKTDAI-YIZRAAEISA-N 120.195 2.385 30 50 AEEA CC(C)COC1=CC(=O)CCC1 4262214 FKJAZODXPHIGOL-UHFFFAOYSA-N 168.236 2.296 30 50 AEEA in-vitro O/N=C1\CCSc2ccccc21 100371245 RARVWGVWROHFMP-CSKARUKUSA-N 179.244 2.361 30 50 AEEA C=C(C)c1ccccc1CO 115153838 JTKILVMMBUMPQG-UHFFFAOYSA-N 148.205 2.212 30 50 AEEA COc1ccccc1/C(N=[N+]=[N-])=N/O 685939440 KOSUKRHFMQDQLG-FLIBITNWSA-N 192.178 2.141 30 50 AEEA CCCCCCCCS(=O)(=O)O 1641127 WLGDAKIJYPIYLR-UHFFFAOYSA-N 194.296 2.235 30 50 AEEA in-vitro C=C(C)C[C@](C)(O)CC 2164080 TXUQLVYIQXLUHT-MRVPVSSYSA-N 128.215 2.114 30 50 AEEA C[C@@](C=O)(CCC#N)c1ccccc1 2170514 RNDCUHACESDKAR-LBPRGKRZSA-N 187.242 2.447 30 50 AEEA C=C[C@@H](O)CN(CCCC)CCCC 2171097 MBESFWFEAFNCAI-GFCCVEGCSA-N 199.338 2.436 30 50 AEEA C#CCNc1ccc(C)cc1 2566386 NCUNFRDDWNTJOG-UHFFFAOYSA-N 145.205 2.040 30 50 AEEA in-vitro C=C[C@@H](OC(C)=O)c1ccccc1 4824328 WAUKBOOEPYNAGU-LLVKDONJSA-N 176.215 2.477 30 50 AEEA CCN(CC)C[C@@]1(C=O)CC=CCC1 44124558 IJYNQZHPDGHUET-GFCCVEGCSA-N 195.306 2.254 30 50 AEEA CC1(C)[C@@H]2C[C@@H]3O[C@@]3(C)[C@H]1C2 100046438 NQFUSWIGRKFAHK-GHCJXIJMSA-N 152.237 2.210 30 50 AEEA in-vitro N#Cc1sccc1-c1cnc[nH]1 725245030 DJUVRJXRGWOJFV-UHFFFAOYSA-N 175.216 2.010 30 50 AEEA C1C2CC3CC1CC(C2)C31CO1 1733119 SVBWHNKBVYUWDJ-UHFFFAOYSA-N 164.248 2.212 30 50 AEEA in-vitro Cc1cccc(C)c1NC(=O)CC#N 3263923 VIUNSIQTGADORL-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro C=CCOc1ccc(Cl)cc1CO 19094271 WOHDJLCEYLGTCY-UHFFFAOYSA-N 198.649 2.397 30 50 AEEA in-vitro Nc1ncccc1/N=C/c1ccccc1 38916782 KALDJMVBXSDADO-OQLLNIDSSA-N 197.241 2.414 30 50 AEEA C/C(=N\O)c1cc(F)ccc1F 57324207 PNDLMUZXCOMQSH-VZUCSPMQSA-N 171.146 2.163 30 50 AEEA O/N=C(/Cl)c1ccccc1 100009698 GYHKODORJRRYBU-VQHVLOKHSA-N 155.584 2.061 30 50 AEEA in-vitro N#Cc1ccc(Br)cc1O 3880828 PAHSHGVACWNGEY-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro C=CC[C@@H](N)c1ccccc1 21297481 FAOYSBDLLGZOKF-SNVBAGLBSA-N 147.221 2.263 30 50 AEEA CCCN(CC#N)C(=O)OC(C)(C)C 45092344 ZCCOXTXNPJIWCY-UHFFFAOYSA-N 198.266 2.157 30 50 AEEA O/N=C\c1c(O)ccc2ccccc12 100721203 VPTYRUGUZUYAGZ-GHXNOFRVSA-N 187.198 2.354 30 50 AEEA O=CCc1ccc(Br)cc1 2581069 RFBONBFMRTWGGB-UHFFFAOYSA-N 199.047 2.191 30 50 AEEA in-vitro C#CC(=O)Oc1ccc2ccccc2c1 71773460 ANECZRYIRALULR-UHFFFAOYSA-N 196.205 2.378 30 50 AEEA in-vitro CC(C)(C)[S@@](=O)N=C1CCC1 117800539 LWVDMDJXXIBEFK-NSHDSACASA-N 173.281 2.074 30 50 AEEA in-vitro CCCCNc1ncccc1C#N 19519403 DZVGEWIXPIPSSJ-UHFFFAOYSA-N 175.235 2.165 30 50 AEEA in-vitro CC(C)c1ccc(N)c(C#N)c1 39103681 IJUCGGBOPBJYSG-UHFFFAOYSA-N 160.220 2.264 30 50 AEEA in-vitro C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2 100811274 SKKHNUKNMQLBTJ-LPEHRKFASA-N 180.247 2.294 30 50 AEEA N#Cc1ccc(O)c(Br)c1 157220 HLHNOIAOWQFNGW-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro O=CCCc1cccc(Cl)c1 19682825 GAMNINPBAOTMLA-UHFFFAOYSA-N 168.623 2.472 30 50 AEEA N/N=C1\C[C@H]2CC[C@H]1c1ccccc12 102318756 XEINCNPAOCQYBV-LAYWPWJRSA-N 186.258 2.366 30 50 AEEA Cc1cc(C)n2c(C)c(C)c(C#N)c2n1 4015334 MRUPUWWMINETCA-UHFFFAOYSA-N 199.257 2.440 30 50 AEEA O=C(O)CCCCCCCS 5113047 FYEMIKRWWMYBFG-UHFFFAOYSA-N 176.281 2.341 30 50 AEEA in-vitro,metabolite N#Cc1c(Cl)cnc2[nH]ccc12 14401152 QZZVPRNKVJBGKM-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro CCCCCCCCC[C@H](N)CO 100684735 MVNILNMAOCFOOH-NSHDSACASA-N 187.327 2.447 30 50 AEEA C=CCNC/C=C/c1ccccc1 6855823 MPYILWXWVRMLOH-RMKNXTFCSA-N 173.259 2.475 30 50 AEEA in-vitro CCc1nc2ccccc2n1CC#N 31936345 LDWRLUIROCONEB-UHFFFAOYSA-N 185.230 2.122 30 50 AEEA in-vitro N#Cc1cnc2ccsc2c1 34194059 QYCIXUKZMDUDBK-UHFFFAOYSA-N 160.201 2.168 30 50 AEEA in-vitro N#Cc1cc(Cl)cc(Cl)n1 95616367 IYSMNJAHSIHMEK-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro C=CC[C@@H]1[C@H](O)C[C@H]1OC(C)(C)C 1535639446 BTCSCRDLMPZUGU-OPRDCNLKSA-N 184.279 2.127 30 50 AEEA CCCCCCCC[C@@H](N)CO 79572658 BVTHJTCQKBKCPR-SNVBAGLBSA-N 173.300 2.057 30 50 AEEA C[Si](C)(C)C#Cc1ccc(F)cn1 197976037 WUQXLHRGNKUVNJ-UHFFFAOYSA-N 193.297 2.450 30 50 AEEA in-vitro C#C[C@@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C 226762728 AXIWZGXZGAUBSU-ADEWGFFLSA-N 178.275 2.197 30 50 AEEA C=Cc1ccc(CC#N)cc1 2528204 DUIIPHYNGUDOIM-UHFFFAOYSA-N 143.189 2.396 30 50 AEEA COC(=O)c1ccccc1N=[N+]=[N-] 71773529 LGHLODHMWICPLN-UHFFFAOYSA-N 177.163 2.415 30 50 AEEA Cc1ccc(C)c([C@]2(C)O[C@@H]2C#N)c1 306331822 PZPJROLLTULFTG-NEPJUHHUSA-N 187.242 2.441 30 50 AEEA C=C(C)[C@H]1CC=C(C)[C@H](O)C1 967525 BAVONGHXFVOKBV-VHSXEESVSA-N 152.237 2.280 30 50 AEEA endogenous,in-man O=C1C=Cc2ccccc2[C@@H]2C[C@H]12 45028010 BTYOJOLATHBNOE-QWRGUYRKSA-N 170.211 2.386 30 50 AEEA SCc1cnc(Cl)s1 83348283 WKSWNTTUYFBJPT-UHFFFAOYSA-N 165.670 2.226 30 50 AEEA N#Cc1ccc([N+](=O)[O-])c2ncccc12 205637166 QDDPOULHTXIYEV-UHFFFAOYSA-N 199.169 2.015 30 50 AEEA CCC[C@H](S)CCOC(C)=O 14589057 JUCARGIKESIVLB-QMMMGPOBSA-N 176.281 2.038 30 50 AEEA endogenous,in-man Cc1cc(C)c(/C=[N+](/C)[O-])c(C)c1 390997 QUPJCNAAUMBYDK-GHXNOFRVSA-N 177.247 2.171 30 50 AEEA FC(F)(F)C#CC(F)(F)F 1845819 WBCLXFIDEDJGCC-UHFFFAOYSA-N 162.032 2.114 30 50 AEEA in-vitro COc1ccc(C#N)cc1Cl 2598117 SUFOLDHSHRVSQV-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro C=C(C)[C@@H]1CC=C(C)C(=O)[C@H]1C#N 140441219 DJAKMCJQJRMQLC-UWVGGRQHSA-N 175.231 2.238 30 50 AEEA Cc1ccc(C(=O)CC#N)cc1 95728 AIECDYDQPCANJK-UHFFFAOYSA-N 159.188 2.091 30 50 AEEA in-vitro ClC#Cc1ccccc1 66325587 GDWZLADUGAKASM-UHFFFAOYSA-N 136.581 2.234 30 50 AEEA C=CCC(=O)c1ccccc1 100637220 ZFYKDNCOQBBOST-UHFFFAOYSA-N 146.189 2.445 30 50 AEEA C/N=C/c1c[nH]c2ccccc12 3123065 ZODFSZFJOLTANE-IZZDOVSWSA-N 158.204 2.217 30 50 AEEA N#CC(C#N)c1c(F)cccc1F 261507649 KRPKMFUQUUKPCZ-UHFFFAOYSA-N 178.141 2.096 30 50 AEEA CCc1ccc2occ(C#N)c(=O)c2c1 155077 GRYXAOXVOYEENX-UHFFFAOYSA-N 199.209 2.227 30 50 AEEA C#Cc1ccc(C(F)(F)F)nc1 72265844 JNCVSVJEAZBSAC-UHFFFAOYSA-N 171.121 2.082 30 50 AEEA in-vitro Cc1cc2c(C#N)cccc2[nH]1 95803149 WQMZLOOFONQYCE-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA in-vitro N#Cc1cccc(C=O)c1Cl 39953721 MVYGQIWGZGMFAU-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro CCc1ccc(NC(=O)CC#N)cc1 3260326 OFPCNHCWVLPAEL-UHFFFAOYSA-N 188.230 2.101 30 50 AEEA in-vitro C[C@H]1C[C@]2(O[C@H]1C)OC21CCCC1 43763163 CDIKDXCHQWMPKX-QXEWZRGKSA-N 182.263 2.471 30 50 AEEA OCCCCCCCC[C@H]1CO1 112999357 ATKIKCFIUFQCNU-JTQLQIEISA-N 172.268 2.108 30 50 AEEA CCCCCCC[C@@H](O)CC(=O)O 2019245 FYSSBMZUBSBFJL-SECBINFHSA-N 188.267 2.183 30 50 AEEA endogenous,in-man N#CCc1ccc(C#N)cc1Cl 161383414 ZLUHPMARIFIJPW-UHFFFAOYSA-N 176.606 2.278 30 50 AEEA C/C=C/C(=O)CCCC 84843254 FMDLEUPBHMCPQV-GQCTYLIASA-N 126.199 2.322 30 50 AEEA C=CCc1ccc(OC)cc1 967635 ZFMSMUAANRJZFM-UHFFFAOYSA-N 148.205 2.424 30 50 AEEA endogenous,in-man N#Cc1ccccc1CN1CCCC1 4218302 SGOHCCLAFSXLCP-UHFFFAOYSA-N 186.258 2.154 30 50 AEEA in-vitro N#Cc1c[nH]c2ccc(F)cc12 4343487 OGJRYRXFDXWPHG-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA CC(=O)c1c[nH]c2cc(C#N)ccc12 19737378 GRGVUXDVCKDSCC-UHFFFAOYSA-N 184.198 2.242 30 50 AEEA N#Cc1cccc2c1[C@@H]1[C@@H]3C[C@@H]2[C@]31C#N 230111498 BMGNRXBFMWJKMW-XRRVDJEJSA-N 192.221 2.283 30 50 AEEA Cc1ccc(S[C@H](C)C#N)nc1 307071480 XCQCFODIFYERDA-MRVPVSSYSA-N 178.260 2.394 30 50 AEEA C#C[C@@H](O)[C@H](CC)CCCC 1691014 CUUQUEAUUPYEKK-NXEZZACHSA-N 154.253 2.197 30 50 AEEA O=C1CCCC=C1Br 30677946 KYNHSQQWQIIFTG-UHFFFAOYSA-N 175.025 2.018 30 50 AEEA in-vitro N#Cc1c[nH]c2cc(F)ccc12 82587570 YAQNAQXKZBUKRC-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA C[C@@H](CCc1ccccc1)NCC#N 19535243 UYVYYRDABLSAPL-NSHDSACASA-N 188.274 2.121 30 50 AEEA N#Cc1cccc2c1[C@@H]1[C@@H]3C[C@H]2[C@]31C#N 253614486 BMGNRXBFMWJKMW-RSLMWUCJSA-N 192.221 2.283 30 50 AEEA Cc1ccc([C@@]2(C)O[C@@H]2C#N)s1 306962168 BFRHDJFVJJHARF-APPZFPTMSA-N 179.244 2.194 30 50 AEEA N#Cc1ccc(N)c2ccccc12 388138 LUSIZUFVMKYWGX-UHFFFAOYSA-N 168.199 2.294 30 50 AEEA CCc1noc(-c2ccc(C#N)cc2)n1 84846910 OLEJLLUUIDNJDM-UHFFFAOYSA-N 199.213 2.171 30 50 AEEA N#CCCC(=O)c1ccc(F)cc1 2378517 QHHXFEHPLSKVCH-UHFFFAOYSA-N 177.178 2.312 30 50 AEEA CC[C@@]1(c2ccc(F)cc2)O[C@H]1C#N 306297986 DDTTWMZIGFUBQB-QWRGUYRKSA-N 191.205 2.353 30 50 AEEA CC(C)[C@@]1(c2ccccc2)O[C@H]1C#N 306791561 YCYZMMIATYJFOS-RYUDHWBXSA-N 187.242 2.460 30 50 AEEA O=C1C=C[C@H](OCc2ccccc2)C1 34143940 GKJZWZPOWCNPEK-LBPRGKRZSA-N 188.226 2.101 30 50 AEEA N#Cc1ccc(C=O)c(Cl)c1 39202449 UGRNLUNAHZKZTG-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro N#Cc1ccc(Oc2ncccn2)cc1 480204 GJOHLRSDLHLMOW-UHFFFAOYSA-N 197.197 2.141 30 50 AEEA in-vitro CC[C@@](C)(O)C#Cc1ccccc1 5954677 MTBIBEIZKLZPIM-GFCCVEGCSA-N 174.243 2.199 30 50 AEEA N#C[C@@H]1CCc2ccccc21 24321287 CAFXXESJSIBJBZ-VIFPVBQESA-N 143.189 2.240 30 50 AEEA in-vitro C[C@@H](C=O)COCc1ccccc1 34179738 XYUPRHVYEKOWCD-JTQLQIEISA-N 178.231 2.038 30 50 AEEA O=CCCCC#Cc1ccccc1 135700942 UNTUDVILEUQRPA-UHFFFAOYSA-N 172.227 2.407 30 50 AEEA CC(C)Nc1ccccc1C#N 19921643 UFFFYFBEGKQPKR-UHFFFAOYSA-N 160.220 2.379 30 50 AEEA in-vitro CC(C)[C@]1(c2ccccc2)O[C@@H]1C#N 306791562 YCYZMMIATYJFOS-VXGBXAGGSA-N 187.242 2.460 30 50 AEEA C1CCC[C@@H]2O[C@H]2CC1 1689847 MELPJGOMEMRMPL-YUMQZZPRSA-N 126.199 2.108 30 50 AEEA in-vitro Cc1cc2[nH]ccc2cc1C#N 14985755 RKHWDANYXRMLOW-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA in-vitro Cc1cc(CC#N)cc(CC#N)c1 21297549 XJCXEUYJQHPEAE-UHFFFAOYSA-N 170.215 2.127 30 50 AEEA in-vitro CCOc1ccc(C#N)cc1F 36886782 KLPLJKKEZVSCEJ-UHFFFAOYSA-N 165.167 2.096 30 50 AEEA in-vitro C=CCOC(=O)/C=C/c1ccccc1 1577285 KCMITHMNVLRGJU-CMDGGOBGSA-N 188.226 2.429 30 50 AEEA C=CCOc1ccccc1F 2548198 MABBMHBZKPIFFV-UHFFFAOYSA-N 152.168 2.391 30 50 AEEA in-vitro CC1(C)CC(C#N)CC(C)(C)N1 5762118 DOKXGFDUBRWFCC-UHFFFAOYSA-N 166.268 2.067 30 50 AEEA in-vitro Cc1cc(F)cc(C#N)c1F 19616044 GOCHUEANXRBERE-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA in-vitro CC1(C)CC[C@@H](CC=O)C1 1535876211 LMKUNSQEUQUJRP-QMMMGPOBSA-N 140.226 2.402 30 50 AEEA COc1cccc2c1[C@@H]1C[C@@]3(C#N)[C@@H]1[C@H]23 257358330 SUWKNWGRJKHXTG-WTFGDDLMSA-N 197.237 2.419 30 50 AEEA N#Cc1sccc1Cl 2513580 FPGDDWCTBDGPAD-UHFFFAOYSA-N 143.598 2.273 30 50 AEEA C/C(CCC(C)C)=N\O 100020860 ZVZUNLVAVHYXNI-BQYQJAHWSA-N 129.203 2.273 30 50 AEEA CC(=O)c1cc(C#N)c(Cl)nc1C 1387463 BPRSEFHIDZKEAD-UHFFFAOYSA-N 194.621 2.118 30 50 AEEA C=CCc1ccccc1OC 1657222 BCINBJDCXBFCDT-UHFFFAOYSA-N 148.205 2.424 30 50 AEEA N#Cc1cc2c(nc1Cl)CCCC2 4072870 BWPSIGMJCQHAGB-UHFFFAOYSA-N 192.649 2.485 30 50 AEEA in-vitro CCCCCC[C@@H]1O[C@@H]1[C@@H](O)CC 25624106 MZWYIBGJZWHXHJ-GARJFASQSA-N 186.295 2.495 30 50 AEEA C=C(C)COc1cccc(CO)c1 19094198 RJOQHHOJBRMRTO-UHFFFAOYSA-N 178.231 2.134 30 50 AEEA in-vitro C[C@H](C#N)[C@@](C)(O)c1ccccc1 294694 JFCXWLWDDNDPIN-MWLCHTKSSA-N 175.231 2.054 30 50 AEEA N#CCCN(CCC#N)c1ccccc1 1700523 NSVHSAUVIFTVPN-UHFFFAOYSA-N 199.257 2.320 30 50 AEEA CC1=C2CCCC(=O)[C@@]2(C)CCC1=O 5201689 YMSJMUXZPBXLSI-LBPRGKRZSA-N 192.258 2.425 30 50 AEEA in-vitro N#C[C@@H]1CC(F)(F)[C@@]1(F)Cl 8100898 UTOYDUSNBSGAKD-WVZVXSGGSA-N 169.533 2.070 30 50 AEEA in-vitro C=CCCc1cccnc1 34194870 AXYMVRAJICZMIT-UHFFFAOYSA-N 133.194 2.200 30 50 AEEA in-vitro C=CCO[C@H]1CCC=CCCC1=O 43199236 LTHPPOXLWKZGLE-NSHDSACASA-N 180.247 2.257 30 50 AEEA Cc1ccc([C@]2(C)O[C@@H]2C#N)c(C)c1 306159105 AOBXRJSNVUSRFO-NEPJUHHUSA-N 187.242 2.441 30 50 AEEA Cc1cc(-c2ccco2)c(C#N)c(N)n1 23279768 WVNKRAMPGDCWMZ-UHFFFAOYSA-N 199.213 2.104 30 50 AEEA N#Cc1ccc2c(c1)[C@@H]1C[C@@H]3[C@H]2[C@]13C#N 230111525 DOUYHVRLJRNOMQ-QNWHQSFQSA-N 192.221 2.283 30 50 AEEA C=C1CC[C@@H]2C(C)(C)[C@]12C(=O)OC 45071553 CEBKSMSGMSVUKQ-LDYMZIIASA-N 180.247 2.152 30 50 AEEA O=C1C=C[C@@H]2[C@@H]3c4ccccc4[C@@H]1[C@@H]23 104283855 UFMRJSPXCBNNAG-IXOXFDKPSA-N 182.222 2.252 30 50 AEEA Cc1ccc(CC#N)cc1F 2382216 XQPIJOIPFIRHRO-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA in-vitro C=CCc1ccc(C#N)c(F)c1 85650665 ONEWFGBXKNUPHD-UHFFFAOYSA-N 161.179 2.426 30 50 AEEA CC(C)=NOc1ccc([N+](=O)[O-])cc1 235772 NPJAJPXYAHTSQW-UHFFFAOYSA-N 194.190 2.369 30 50 AEEA Cn1ccc2ccc(C#N)cc21 12370288 FOGAAHLMYPQCJG-UHFFFAOYSA-N 156.188 2.050 30 50 AEEA in-vitro N#CCCc1ccccc1 1747831 ACRWYXSKEHUQDB-UHFFFAOYSA-N 131.178 2.143 30 50 AEEA endogenous,in-man Cn1ccc2c(C#N)cccc21 12370310 DYOVHBKIEBCIIE-UHFFFAOYSA-N 156.188 2.050 30 50 AEEA in-vitro C=CCNCc1cccc(OCC)c1 8325206 BBRAQQGHNHYVAI-UHFFFAOYSA-N 191.274 2.361 30 50 AEEA in-vitro CCCC/N=C/c1ccccn1 101650895 YLHWKRVTRIJWAB-PKNBQFBNSA-N 162.236 2.301 30 50 AEEA Cc1cc(Cl)c(N)cc1C#N 145714232 GATWCXAEIOOQGZ-UHFFFAOYSA-N 166.611 2.102 30 50 AEEA COc1ccc(CS)cc1 388092 PTDVPWWJRCOIIO-UHFFFAOYSA-N 154.234 2.125 30 50 AEEA in-vivo N#Cc1cc(F)c(Cl)nc1Cl 396067 DEDKKOOGYIMMBC-UHFFFAOYSA-N 190.992 2.399 30 50 AEEA in-vitro CN(C)[C@@H](C#N)c1ccc(Cl)cc1 19795662 UWSLRLXBDMTSFR-JTQLQIEISA-N 194.665 2.466 30 50 AEEA in-vitro CCCCCCC[C@H](C)NCCO 2170460 HQYIRIFFZWXTMV-NSHDSACASA-N 187.327 2.317 30 50 AEEA C=CCNc1ccc(OC)cc1 1635513 OISSOJFPFGACLI-UHFFFAOYSA-N 163.220 2.293 30 50 AEEA in-vitro C=CCC1=CCC(=O)CC1 45071670 VHCODJXPHRUNAF-UHFFFAOYSA-N 136.194 2.242 30 50 AEEA C#Cc1c(C)cccc1C 66319029 DLPJMJYRZXGONR-UHFFFAOYSA-N 130.190 2.285 30 50 AEEA O=CC1(C(F)(F)F)CCCC1 198815221 NODWEWSZMABMOW-UHFFFAOYSA-N 166.142 2.308 30 50 AEEA N#Cc1c(F)cccc1N1CCCC1 139127 XLGREITYTNOIRF-UHFFFAOYSA-N 190.221 2.298 30 50 AEEA C#C[C@](C)(O)CCC=C(C)C 1849683 YWTIDNZYLFTNQQ-JTQLQIEISA-N 152.237 2.117 30 50 AEEA endogenous,in-man C[Si](C)(C)C#Cc1ncccc1O 169794093 XGERZIBGPZAWHY-UHFFFAOYSA-N 191.306 2.016 30 50 AEEA in-vitro C#CCNc1ccc(C)cc1C 39319994 DEAQILIFUYEIIL-UHFFFAOYSA-N 159.232 2.349 30 50 AEEA [N-]=[N+]=Nc1cc(Cl)ncc1C=O 1775955368 PKXRRZZYYAKPSE-UHFFFAOYSA-N 182.570 2.489 30 50 AEEA Cc1ccc(C(=O)CCC#N)cc1 12954420 CUVQRUCHJWFRLL-UHFFFAOYSA-N 173.215 2.482 30 50 AEEA C#Cc1csc(Cl)c1 95742756 BCPCUJUGCWJLFL-UHFFFAOYSA-N 142.610 2.383 30 50 AEEA C/C=C/B1OC(C)(C)C(C)(C)O1 169936145 COPMASWDWLENMV-VOTSOKGWSA-N 168.045 2.194 30 50 AEEA in-vitro C=C(Cl)CC(C)(C)C(=O)OC 2149582 NMIYZQVNXZOOPF-UHFFFAOYSA-N 176.643 2.328 30 50 AEEA in-vitro CCCCC#C/C=C(\C)C(=O)OC 3091485 QPHXZBYMGLUVQT-MDZDMXLPSA-N 180.247 2.299 30 50 AEEA Cc1cc(C#N)c(C)cc1C#N 336535 ZSJIRGBDYMYVDO-UHFFFAOYSA-N 156.188 2.047 30 50 AEEA COc1ccc(C(C)(C)C#N)cc1 393280 CDCRUVGWQJYTFO-UHFFFAOYSA-N 175.231 2.496 30 50 AEEA Cc1cc(F)ccc1CC#N 2527805 VHULROKXGBQUDA-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA in-vitro N#Cc1cc(Cl)c(F)cc1F 22001384 JPKFRPZCKNFWIJ-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA in-vitro CCCCCCC#CCCO 100018187 YGEQBZUDPQQIFI-UHFFFAOYSA-N 154.253 2.343 30 50 AEEA in-vitro C=C(C)c1ccc([N+](=O)[O-])nc1 149912751 MMBKPOPNVNFLMF-UHFFFAOYSA-N 164.164 2.023 30 50 AEEA in-vitro C#C[C@@H]1[C@H]2CCCC[C@H]21 1772572623 ZANCPIQLQRAOGR-PSVAKVPMSA-N 120.195 2.056 30 50 AEEA Cn1cc(C#N)c2ccccc21 3165608 FBAXZPMXGBNBPE-UHFFFAOYSA-N 156.188 2.050 30 50 AEEA in-vivo N#CCc1c[nH]c2cc(F)ccc12 16159524 PLNHDPOPGAMJAW-UHFFFAOYSA-N 174.178 2.373 30 50 AEEA in-vitro CCCn1cnc2cc(C#N)ccc21 84901623 ZQTHNHXICUXMMI-UHFFFAOYSA-N 185.230 2.318 30 50 AEEA in-vitro c1ccc(CO[C@H]2C[C@@H]3O[C@@H]3C2)cc1 117716077 CWRSDAPNEGDROZ-CNDDSTCGSA-N 190.242 2.133 30 50 AEEA in-vitro Cc1cc(C(F)(F)F)c(C#N)cn1 163240 OXXIVQMBORORMR-UHFFFAOYSA-N 186.136 2.281 30 50 AEEA in-vitro N#C[C@H]1CC(F)(F)[C@]1(F)Cl 2579156 UTOYDUSNBSGAKD-WUJLRWPWSA-N 169.533 2.070 30 50 AEEA in-vitro CC(C)CNCC#Cc1ccccc1 6883510 KSFKLXBUVKKPCR-UHFFFAOYSA-N 187.286 2.284 30 50 AEEA in-vitro O/N=C(/Cl)c1ccc(F)cc1 100348494 VDMJCVUEUHKGOY-JXMROGBWSA-N 173.574 2.200 30 50 AEEA in-vitro CC(C)Cc1ccoc1C#N 757122748 VDSAJIITKBDHMC-UHFFFAOYSA-N 149.193 2.350 30 50 AEEA C#CCCCCO[C@H]1CCCCO1 4973104 UBVHEECJJXMXTN-LLVKDONJSA-N 182.263 2.333 30 50 AEEA N#Cc1cccc2c1[C@H]1CC(=O)[C@H]2C1 101002536 XYGORIQAOOUZPM-SCZZXKLOSA-N 183.210 2.102 30 50 AEEA C[Si](C)(C)C#Cc1ccc(O)nc1 238517649 SWBOPPDLCVSNPO-UHFFFAOYSA-N 191.306 2.016 30 50 AEEA in-vitro CC(C)(C)C1=CC(=O)C(Cl)=CC1=O 3051904 SUGGUDYURYSBGN-UHFFFAOYSA-N 198.649 2.233 30 50 AEEA SC1Cc2ccccc2C1 37374857 JQITYXAHMGVHIR-UHFFFAOYSA-N 150.246 2.084 30 50 AEEA in-vitro C[Si](C)(C)C#Cc1cnccc1O 169794090 LXXUYRLPYDXQKD-UHFFFAOYSA-N 191.306 2.016 30 50 AEEA in-vitro C[Si](C)(C)C#Cc1cccc(N)c1 169982855 UMDLPUJBLHKTSG-UHFFFAOYSA-N 189.334 2.498 30 50 AEEA in-vitro N#C[C@@H](c1ccco1)N1CCCCC1 19619939 BJKHFFTYEMSYMA-JTQLQIEISA-N 190.246 2.330 30 50 AEEA C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O 2558675 ZYTMANIQRDEHIO-KXUCPTDWSA-N 154.253 2.360 30 50 AEEA endogenous,in-man O/N=C(\Cl)c1c(F)cccc1F 100047343 QBIPVAANFKTSIG-XFFZJAGNSA-N 191.564 2.339 30 50 AEEA in-vitro COc1cc(CC#N)c(C)c(OC)c1 150227665 UHEZXOLLEBTSGV-UHFFFAOYSA-N 191.230 2.078 30 50 AEEA C[C@@]1(c2ccccc2Cl)O[C@H]1C#N 307165023 MSINREDVMWPZBS-UWVGGRQHSA-N 193.633 2.478 30 50 AEEA CCCCCCCNC 1621731 LTGYRKOQQQWWAF-UHFFFAOYSA-N 129.247 2.176 30 50 AEEA C=C[C@H](C)C(C)C 2040350 WFHXQNMTMDKVJG-ZETCQYMHSA-N 98.189 2.465 30 50 AEEA C=CC[C@@]1(C)C(=O)C=C[C@H]1C 101020244 PKTWPJBPAQOWTD-PSASIEDQSA-N 150.221 2.344 30 50 AEEA Cc1nc(Br)ccc1C#N 21981904 VXLPCDPMLFDENY-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro N#Cc1cc(OC(F)F)ccc1F 170637674 HXIYYZYQQLHVTJ-UHFFFAOYSA-N 187.120 2.299 30 50 AEEA in-vitro C=CCN1C[C@@H]2CCCC[C@@]21C 626105188 WPOHTZXIBWIRFQ-QWRGUYRKSA-N 165.280 2.437 30 50 AEEA N#Cc1cc(F)ccc1Cl 2243110 HBTXAKDVIXNVHZ-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro C#CCN(C)[C@H](C)Cc1ccccc1 19632633 MEZLKOACVSPNER-GFCCVEGCSA-N 187.286 2.183 30 50 AEEA fda C#Cc1c[nH]c2ccccc12 24781922 UJJFTIBNCODKOS-UHFFFAOYSA-N 141.173 2.149 30 50 AEEA in-vitro O=C1C=C(c2ccccc2)CC1 1555567 UHTNKICWCQWOBM-UHFFFAOYSA-N 158.200 2.433 30 50 AEEA CCN(CC)c1ccc(C#N)cc1 172983 KMLGFOAKCYHXCQ-UHFFFAOYSA-N 174.247 2.404 30 50 AEEA in-vitro N#CCc1cc(F)cc(F)c1 164759 OBMYMTSBABEPIB-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA in-vitro CC1=CC(=O)C(C(C)(C)C)=CC1=O 344425 QGICJTBKXZPCRA-UHFFFAOYSA-N 178.231 2.057 30 50 AEEA C/C(=N\O)C(=O)c1ccc(Cl)cc1 100059066 OGDUXQIKSLKHFR-IZZDOVSWSA-N 197.621 2.373 30 50 AEEA CC(C)CNc1ncccc1C#N 19510507 MWUZXVOXGCWJJU-UHFFFAOYSA-N 175.235 2.021 30 50 AEEA COc1ccc(Cl)c(C#N)c1F 38529654 MRGPSVJVQWPCNB-UHFFFAOYSA-N 185.585 2.359 30 50 AEEA in-vitro CCC#CCCC 1841146 KLYHSJRCIZOUHE-UHFFFAOYSA-N 96.173 2.200 30 50 AEEA C=CCCCCCOC(C)=O 2556929 GNEUVQRNOYJQLS-UHFFFAOYSA-N 156.225 2.296 30 50 AEEA in-vitro N#CCc1ccc(F)c(F)c1F 4290229 BHGADPADDLWFSR-UHFFFAOYSA-N 171.121 2.170 30 50 AEEA in-vitro O/N=C/CCc1ccccc1 5773267 WSTRHGOVAOUOJW-CSKARUKUSA-N 149.193 2.079 30 50 AEEA in-vitro CN(C)[C@H](C#N)c1ccc(Cl)cc1 19795664 UWSLRLXBDMTSFR-SNVBAGLBSA-N 194.665 2.466 30 50 AEEA in-vitro N#Cc1cc(O)ccc1Br 34529554 IXJNUEMHAJZKFW-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro N#CC(=O)c1ccc(Cl)cc1 100057344 UDBBCXDMJVNFLI-UHFFFAOYSA-N 165.579 2.046 30 50 AEEA in-vitro N#Cc1c(F)ccc2occc12 238528014 CHOZNSNAPKIXKZ-UHFFFAOYSA-N 161.135 2.444 30 50 AEEA CC(C)/N=C/c1ccco1 39382801 HQWYGVVOOCOYEL-RMKNXTFCSA-N 137.182 2.107 30 50 AEEA CCCC1(CCC)O[C@@H]1C#N 137269901 BHASWGUSDHJXBN-MRVPVSSYSA-N 153.225 2.248 30 50 AEEA C#CCN1CCSC(CC)(CC)C1 306631660 OAGUGDJUPIDCKG-UHFFFAOYSA-N 197.347 2.227 30 50 AEEA CC#CCOc1ccccc1 1575626 GGMLTGPNQUTCPG-UHFFFAOYSA-N 146.189 2.089 30 50 AEEA Cc1cc(C#N)cc(Cl)c1N 2390213 NDTNVCCDQAOBSZ-UHFFFAOYSA-N 166.611 2.102 30 50 AEEA in-vitro CC1=NOC(=O)/C1=C\c1ccccc1 17160072 KNHMTOFSFRMLRQ-YFHOEESVSA-N 187.198 2.003 30 50 AEEA C[C@H]1CCC[C@H](S)C1 26515311 PWHHTYJQSMSOEC-BQBZGAKWSA-N 130.256 2.495 30 50 AEEA endogenous,in-man C=CC(=O)C1=CCCC1(C)C 45071573 VGMZRZKQYULQKL-UHFFFAOYSA-N 150.221 2.488 30 50 AEEA O=C1C=C(Cl)C(=O)c2ccccc21 901831 CCTJHVLTAJTPBV-UHFFFAOYSA-N 192.601 2.188 30 50 AEEA in-vitro CC(C)(C#N)c1cccc(C(=O)O)c1 82046563 VSCTXXVTZNQKAX-UHFFFAOYSA-N 189.214 2.186 30 50 AEEA in-vitro C=CC[C@@](C)(O)CCC 2164092 PYKQMQBNPLNLPS-MRVPVSSYSA-N 128.215 2.114 30 50 AEEA in-vitro C[C@@H](Nc1ccc(C#N)nc1)C1CC1 131887528 NTHVJFTXPIXUAI-MRVPVSSYSA-N 187.246 2.164 30 50 AEEA N#CC(C#N)c1ccc(F)c(F)c1 216718190 XDEWAVWVTZCCRD-UHFFFAOYSA-N 178.141 2.096 30 50 AEEA in-vitro Cc1cc(Cl)cc(C#N)c1O 225286645 SIQPPKKBRKKJRN-UHFFFAOYSA-N 167.595 2.226 30 50 AEEA COc1ccc(C[C@H](C)C=O)cc1 1589929 VLFBSPUPYFTTNF-VIFPVBQESA-N 178.231 2.073 30 50 AEEA C#Cc1cc(C)ccc1C 2548220 UNUIVBVNLZPXCR-UHFFFAOYSA-N 130.190 2.285 30 50 AEEA C=CCC1(C(=O)N2CCCC2)CCC1 170610877 IAPAUPYIQNCTLK-UHFFFAOYSA-N 193.290 2.355 30 50 AEEA C[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 203560830 TUXCUWZCFQDMLZ-HTQZYQBOSA-N 182.072 2.489 30 50 AEEA C=CCOc1nccc(O)c1Cl 261493949 MMEFRWIMLNTVBJ-UHFFFAOYSA-N 185.610 2.005 30 50 AEEA N#Cc1ccc(OC(F)(F)F)cc1 167112 XWHIXOMWXCHJPP-UHFFFAOYSA-N 187.120 2.457 30 50 AEEA in-vitro C=C(C)CCC 1699370 WWUVJRULCWHUSA-UHFFFAOYSA-N 84.162 2.363 30 50 AEEA CC[C@](C)(O)C#Cc1ccccc1 2390310 MTBIBEIZKLZPIM-LBPRGKRZSA-N 174.243 2.199 30 50 AEEA CCc1cc(N)cc(CC)c1C#N 21304696 MEBZCJQSHLJQPC-UHFFFAOYSA-N 174.247 2.265 30 50 AEEA in-vitro Cc1nc2cc(C#N)ccc2s1 34464211 LMGBAGZYSFICDQ-UHFFFAOYSA-N 174.228 2.476 30 50 AEEA N#Cc1ccc(C(F)(F)F)c(O)c1 91252351 PDMCDRCXQZBLGY-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA CC[Si](C#CC=O)(CC)CC 169804557 HUTHVHSZGNERMJ-UHFFFAOYSA-N 168.312 2.236 30 50 AEEA COc1ccc2c(c1)[C@@H]1[C@@H]3C[C@@H]2[C@]31C#N 247964660 RTMALMIBRXLZGT-WUHRBBMRSA-N 197.237 2.419 30 50 AEEA N#C[C@]12C[C@@H]3c4ccccc4[C@@H]1[C@H]32 257356183 GORJTZLAMQKEAM-WISYIIOYSA-N 167.211 2.411 30 50 AEEA COc1c(C#N)cc(C)c2c1CCC2 132555 SOWLMGGHQDIIQB-UHFFFAOYSA-N 187.242 2.364 30 50 AEEA in-vitro C#Cc1cccc(Br)c1 2513043 TZDXNFAAJNEYIO-UHFFFAOYSA-N 181.032 2.430 30 50 AEEA in-vitro N#CC1CCCCCC1 4897473 UIZRDFICGGONJJ-UHFFFAOYSA-N 123.199 2.480 30 50 AEEA CC(C)(C)c1ccc(/C(N)=N/O)cc1 16939715 QUCZBZUPJKDIRP-UHFFFAOYSA-N 192.262 2.079 30 50 AEEA in-vitro CC1=C(C)C[C@H](C=O)CC1 75526286 NOJNKSAQZMVMFF-SECBINFHSA-N 138.210 2.322 30 50 AEEA in-vitro C[C@]1(c2ccccc2Cl)O[C@@H]1C#N 307165021 MSINREDVMWPZBS-NXEZZACHSA-N 193.633 2.478 30 50 AEEA CCc1c(C)sc(N)c1C#N 2573209 QJJHYLODDMKXJT-UHFFFAOYSA-N 166.249 2.073 30 50 AEEA in-vitro C=C(Cl)CSC(C)=O 72194347 YJNWQXNLWIKNIM-UHFFFAOYSA-N 150.630 2.019 30 50 AEEA in-vitro COc1ccc(CC#N)cc1C 2579199 QOMACJMHUFTRJI-UHFFFAOYSA-N 161.204 2.070 30 50 AEEA in-vitro N#CCC[C@@H]1CCCCC12OCCO2 4798040 KRKUUPNQMFOLNQ-JTQLQIEISA-N 195.262 2.223 30 50 AEEA N#C[C@@H]1CCN(Cc2ccccc2)C1 54967342 RYCQUUNQHVAFSM-LBPRGKRZSA-N 186.258 2.032 30 50 AEEA in-vitro N#C[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 147466424 BOHSMHNKEIRAEH-CHWSQXEVSA-N 198.269 2.032 30 50 AEEA CS/C(=N/c1ccccc1)NC#N 2569841 CVUFVECDCYUJCL-UHFFFAOYSA-N 191.259 2.108 30 50 AEEA COc1ccc2c(c1)CCC/C2=N\O 5361526 QEPLWBMPKVIAOH-VAWYXSNFSA-N 191.230 2.210 30 50 AEEA in-vitro N#Cc1cccc(Br)c1O 38537076 BUWXNBPLRLEXOZ-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro N#Cc1c(C2CC2)csc1N 12404821 GCJLGWPBKQCVNF-UHFFFAOYSA-N 164.233 2.079 30 50 AEEA C#Cc1ccc(C(F)(F)F)cn1 72265839 PISOZFXTSONWKH-UHFFFAOYSA-N 171.121 2.082 30 50 AEEA in-vitro C=CCB1OC(C)(C)C(C)(C)O1 169743401 YMHIEPNFCBNQQU-UHFFFAOYSA-N 168.045 2.265 30 50 AEEA in-vitro CC(C)=C=C1[C@@H](C=O)C1(C)C 238131531 OUAMUELODXIZLI-SECBINFHSA-N 150.221 2.333 30 50 AEEA in-vitro N#CC1(c2cccc(O)c2F)CC1 261494378 WBERLAWOYGFGOM-UHFFFAOYSA-N 177.178 2.086 30 50 AEEA Cc1c(F)cccc1CC#N 2510748 AYTNRVRHECGBPZ-UHFFFAOYSA-N 149.168 2.200 30 50 AEEA N#CCC(=O)c1cc(F)ccc1F 2579802 MRKQEVHBBWQIAD-UHFFFAOYSA-N 181.141 2.061 30 50 AEEA C=C(C)CNCc1ccccc1 6303861 NDKYBYPWDCWAOD-UHFFFAOYSA-N 161.248 2.352 30 50 AEEA in-vitro ON=C1CCC(F)(F)CC1 606243956 ZEBPIJGFFDUPSI-UHFFFAOYSA-N 149.140 2.026 30 50 AEEA C[Si](C)(C)C#Cc1ccc(N)cc1 169808367 CHTZIDLXGXGNMA-UHFFFAOYSA-N 189.334 2.498 30 50 AEEA in-vitro C[C@@]1(CCc2ccccc2)O[C@H]1C#N 306737484 ZAYHPCRYVFLOJF-RYUDHWBXSA-N 187.242 2.300 30 50 AEEA CC(=O)[C@H]1C[C@@H](CC#N)C1(C)C 248478 VILTYDDIGXXGBZ-RKDXNWHRSA-N 165.236 2.151 30 50 AEEA C#Cc1ccc(OCC)c(OCC)c1 36533475 XFLXRFSUHXIIKO-UHFFFAOYSA-N 190.242 2.465 30 50 AEEA in-vitro C=CCOc1ccc(C#N)c(F)c1 82644273 HRFHZCVQCLPBHG-UHFFFAOYSA-N 177.178 2.262 30 50 AEEA Cc1ccc(C#N)c(C)c1F 223278901 YGTCUMULHAHWDT-UHFFFAOYSA-N 149.168 2.314 30 50 AEEA CCCCCCCC(=O)O 1530416 WWZKQHOCKIZLMA-UHFFFAOYSA-N 144.214 2.432 30 50 AEEA endogenous,world C=CCc1cccc(C=O)c1 116475044 KUEDNSFBFPTFIA-UHFFFAOYSA-N 146.189 2.228 30 50 AEEA Cc1ccccc1[C@@]1(C)O[C@@H]1C#N 306522425 LTRVWDZYOJCFNV-GHMZBOCLSA-N 173.215 2.133 30 50 AEEA CC/N=C/c1ccc(C)cc1 5302344 DMHJHIFJWLRVBV-DHZHZOJOSA-N 147.221 2.434 30 50 AEEA CC(C)CN(CC#N)CC(C)C 19852156 ADEQPGWHCPALGB-UHFFFAOYSA-N 168.284 2.124 30 50 AEEA in-vitro CC[C@]1(c2ccccc2F)O[C@H]1C#N 306282921 IMITXALSOJZMRT-WDEREUQCSA-N 191.205 2.353 30 50 AEEA CC1(C)C[C@@]2(C=CC(=O)CC2)CCO1 2990443 GVGDFGBIVDIXPA-GFCCVEGCSA-N 194.274 2.481 30 50 AEEA biogenic C#Cc1ccccc1OC(F)F 62605402 XMEAIJWQSPPMCQ-UHFFFAOYSA-N 168.142 2.269 30 50 AEEA in-vitro CCn1cc(Br)cc1C#N 67425324 COCIJLTUNLCFQZ-UHFFFAOYSA-N 199.051 2.142 30 50 AEEA CC(C)(C)[S@](=O)N=C1CCC1 117800540 LWVDMDJXXIBEFK-LLVKDONJSA-N 173.281 2.074 30 50 AEEA in-vitro COc1ccc(/C(N=[N+]=[N-])=N/O)cc1 307081722 PMTTXNSNBAHOML-FLIBITNWSA-N 192.178 2.141 30 50 AEEA C#C[C@@](C)(O)CCCC(C)(C)OCC 2338187 LDOYBNYRDULLBC-GFCCVEGCSA-N 198.306 2.356 30 50 AEEA N#Cc1cc(N)ccc1C(F)(F)F 38856995 OAIXMLOQLVHQER-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro CC1(C)OB([C]2[CH][CH][CH][CH]2)OC1(C)C 170162393 NUBNMVOSGQLINP-UHFFFAOYSA-N 191.059 2.023 30 50 AEEA C=C(C)[C@H]1CC=C(C)C(=O)C1 968102 ULDHMXUKGWMISQ-VIFPVBQESA-N 150.221 2.488 30 50 AEEA endogenous,in-man C=Cc1ccc(C#N)cc1 2571926 SNTUCKQYWGHZPK-UHFFFAOYSA-N 129.162 2.201 30 50 AEEA O/N=C/c1c(O)ccc2ccccc12 5700702 VPTYRUGUZUYAGZ-KPKJPENVSA-N 187.198 2.354 30 50 AEEA O=CC12CC3CC(CC(C3)C1)C2 28221525 DZULQZKFBAHSRX-UHFFFAOYSA-N 164.248 2.402 30 50 AEEA in-vitro CC(C)(C#N)c1ccc(C(=O)O)cc1 34347908 MAVFXLXXHAMJTB-UHFFFAOYSA-N 189.214 2.186 30 50 AEEA in-vitro O=C1C=C2[C@H]3CCC[C@@H](C3)[C@@H]2C1 101080876 UPWPZUBKZKKPBT-LAEOZQHASA-N 162.232 2.322 30 50 AEEA O/N=C/c1ccc(Cl)cc1 4582531 QKWBTCRVPQHOMT-WEVVVXLNSA-N 155.584 2.148 30 50 AEEA in-vitro CC/C(=N/O)c1ccccc1 17161177 MDLJMYBJBOYUNJ-KTKRTIGZSA-N 149.193 2.275 30 50 AEEA in-vitro CC(=O)/C(C)=N/Nc1ccccc1 16102032 HUHADASXDUCZMY-DHZHZOJOSA-N 176.219 2.063 30 50 AEEA C=C(C)C(=O)O[C@H]1C[C@H]2CC[C@H]1C2 100811278 SKKHNUKNMQLBTJ-GUBZILKMSA-N 180.247 2.294 30 50 AEEA C/C(=C/C(=O)C(F)(F)F)NC(C)C 15999644 BKNFRFGKUBBQME-XQRVVYSFSA-N 195.184 2.020 30 50 AEEA CCN(CC)C[C@]1(C=O)CC=CCC1 44124562 IJYNQZHPDGHUET-LBPRGKRZSA-N 195.306 2.254 30 50 AEEA C=CCCC[C@H]1C[C@@H]1OC(C)=O 214490498 VSWXTKBHQYCTDE-UWVGGRQHSA-N 168.236 2.294 30 50 AEEA C#Cc1ccc(CC)cc1 2555809 ZNTJVJSUNSUMPP-UHFFFAOYSA-N 130.190 2.230 30 50 AEEA in-vitro C/C=C/C(=O)[C@H](C)CC 100003881 ARJWAURHQDJJAC-PTYLAXBQSA-N 126.199 2.178 30 50 AEEA C[Si](C)(C)CCS 170154096 BCOLNMGFOWHFNI-UHFFFAOYSA-N 134.320 2.254 30 50 AEEA in-vitro N#Cc1ccc(-n2cccc2C=O)cc1 2582736 GDOFODUEPBBDMO-UHFFFAOYSA-N 196.209 2.161 30 50 AEEA in-vitro C/N=C/Nc1ccc(C)cc1C 1585475 JIIOLEGNERQDIP-UHFFFAOYSA-N 162.236 2.373 30 50 AEEA in-vitro C#CC(C)(C)NC(C)(C)CC 2389308 QZIVTSHQTWUMNU-UHFFFAOYSA-N 153.269 2.176 30 50 AEEA in-vitro C=C1C2C=C[C@H]3C1[C@@H]3C=C2 101002824 ODDFIEFZIRYLLI-DSAQSWLYSA-N 130.190 2.161 30 50 AEEA CCC1=CC(=O)CCC1 4802706 UORVPNKUEOFRLW-UHFFFAOYSA-N 124.183 2.076 30 50 AEEA in-vitro N#CC(F)(F)c1ccccc1 8698399 ZXRSVNNZHVTXIL-UHFFFAOYSA-N 153.131 2.302 30 50 AEEA C[C@@](O)(C#Cc1ccccc1)C1CC1 22339631 WAOKHEXHUCTGBJ-CYBMUJFWSA-N 186.254 2.199 30 50 AEEA CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C 967601 DCSCXTJOXBUFGB-JGVFFNPUSA-N 150.221 2.178 30 50 AEEA biogenic,in-vitro C/C(=N\O)c1ccc(F)cc1F 57324144 OHLLRZWRSGPPIJ-VZUCSPMQSA-N 171.146 2.163 30 50 AEEA N#Cc1c(O)cccc1Br 72190251 YCJPUFJBGIVSTM-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro CC(C)=NNc1nc(C)cs1 1510727 PPFBQEPYBRDZQH-UHFFFAOYSA-N 169.253 2.259 30 50 AEEA Cc1cc(F)c(CC#N)c(F)c1 263625304 YOPKCIARWZVUKE-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA C/C(=N/[n+]1ccccc1)c1ccccc1 5620781 VQUUQXXMOGYIBM-OWBHPGMISA-N 197.261 2.246 30 50 AEEA N#C[C@]12C[C@@H]3c4ccccc4[C@H]1[C@@H]32 45071454 GORJTZLAMQKEAM-WRWGMCAJSA-N 167.211 2.411 30 50 AEEA C#CC[N@+]1(C)[C@@H](C)CCC[C@H]1C 245256130 NYBWTPILEWSXCR-GDNZZTSVSA-N 166.288 2.027 30 50 AEEA N#Cc1ccc(Br)cc1 164599 HQSCPPCMBMFJJN-UHFFFAOYSA-N 182.020 2.321 30 50 AEEA in-vitro C[C@@H](/C=N/O)c1ccccc1 13537503 SETWHVMVMWYJQA-VKHJRQFRSA-N 149.193 2.250 30 50 AEEA CC(C)=NOCCN1CCCCCC1 45028127 KIBUWSQXKPQFND-UHFFFAOYSA-N 198.310 2.275 30 50 AEEA C#C[C@@]1(O)[C@@H](C)CCCC1(C)C 5225537 PQQOQXUYGRGYEK-GXSJLCMTSA-N 166.264 2.197 30 50 AEEA N#C[C@H]1CCc2ccccc21 24321291 CAFXXESJSIBJBZ-SECBINFHSA-N 143.189 2.240 30 50 AEEA in-vitro N#Cc1ccc(C=O)c(C(F)(F)F)c1 115309842 AIJWOPZFPUOMEO-UHFFFAOYSA-N 199.131 2.390 30 50 AEEA in-vitro COc1ccc(Cl)cc1CC#N 4218606 YVPGMOIUQBMWLU-UHFFFAOYSA-N 181.622 2.415 30 50 AEEA in-vitro CC(C)(C)C12CC(C=O)(C1)C2 137324269 PYQCGQHFAGNIQX-UHFFFAOYSA-N 152.237 2.402 30 50 AEEA CCC[C@@H](C)[C@@H](C#N)C(=O)OCC 1678950 FIJVOSSCAUGKQY-RKDXNWHRSA-N 183.251 2.125 30 50 AEEA C=CC(F)(F)Br 2584270 GDDNTTHUKVNJRA-UHFFFAOYSA-N 156.957 2.160 30 50 AEEA in-vitro N#Cc1cccc2c(N)cccc12 3845644 COMBRYCXLDMDCU-UHFFFAOYSA-N 168.199 2.294 30 50 AEEA CC(C)C(=NO)C(C)C 4530149 PULCKIYKBGOTTG-UHFFFAOYSA-N 129.203 2.129 30 50 AEEA CC1=CCC[C@H](C)[C@@H]1C=O 6037469 ZTNFZIHZMITMGE-DTWKUNHWSA-N 138.210 2.178 30 50 AEEA CCCOc1ccc(C#N)cc1O 39089997 CTGGYDJUCWIFQX-UHFFFAOYSA-N 177.203 2.053 30 50 AEEA N#CCc1cc(F)ccc1F 409204 UIMMFRUOZOWROM-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA in-vitro C=CCNC(=O)Nc1cccc(C)c1 2165860 PWEROKPAMSWLFM-UHFFFAOYSA-N 190.246 2.303 30 50 AEEA C=CC[C@H]1CCCCC1=O 1717283 UPGHEUSRLZSXAE-QMMMGPOBSA-N 138.210 2.322 30 50 AEEA in-vitro N#Cc1cccc2cc[nH]c12 21992053 NTUHBYLZRBVHRS-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA N#Cc1cc(Cl)ccc1C=O 59736308 PAYXNEOSNJICEG-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA N#Cc1cc(F)c(F)c(F)c1F 389594 GLTGXIGJLCSEAM-UHFFFAOYSA-N 175.084 2.115 30 50 AEEA in-vitro O=C1/C=C\CCCCCC1 25695724 SMBUFVUYDMRGGD-ALCCZGGFSA-N 138.210 2.466 30 50 AEEA C[C@H]1C[C@@]2(O[C@H]1C)OC21CCCC1 43763162 CDIKDXCHQWMPKX-ATZCPNFKSA-N 182.263 2.471 30 50 AEEA COc1ccc2cc(C#N)[nH]c2c1 83271933 DCEPULPTZBLJCH-UHFFFAOYSA-N 172.187 2.048 30 50 AEEA in-vitro C#Cc1cccc(OC(F)F)c1 2243237 UGUOBKVALAVDFR-UHFFFAOYSA-N 168.142 2.269 30 50 AEEA in-vitro C[C@@]1(c2ccc(Cl)cc2)O[C@@H]1C#N 307394142 MWMTUAAXTBPABT-ZJUUUORDSA-N 193.633 2.478 30 50 AEEA C=CCc1ccccc1C(=O)O 2385217 PMXHYECRRNWMIM-UHFFFAOYSA-N 162.188 2.113 30 50 AEEA C=CC[C@H](N)c1ccc(F)cc1 42394979 NLXGUZPOWJQRTI-JTQLQIEISA-N 165.211 2.402 30 50 AEEA CCC#CB1OC(C)(C)C(C)(C)O1 169946571 MNPPDEKCCSRVEX-UHFFFAOYSA-N 180.056 2.031 30 50 AEEA in-vitro COc1ccccc1NCCC#N 3164230 LUIMFCWRORVFTC-UHFFFAOYSA-N 176.219 2.021 30 50 AEEA in-vitro N#C/C(=N/O)c1ccc(Cl)cc1 142468800 WZZDYEHGFZLNNB-FLIBITNWSA-N 180.594 2.042 30 50 AEEA C#CCOc1ccc2ncccc2c1 205133725 PQZAQONFVQVLCT-UHFFFAOYSA-N 183.210 2.247 30 50 AEEA N#C[C@H]1CN1c1ccccc1Cl 44125388 BXMOAZUEAYITRO-KAJCPDDVSA-N 178.622 2.052 30 50 AEEA COc1ccc(C(=O)CCC#N)cc1 3086262 UTVSIESNEORCDC-UHFFFAOYSA-N 189.214 2.182 30 50 AEEA in-vitro COc1cccc(OCCCS)c1 41209455 HHWMUPBMTVQATI-UHFFFAOYSA-N 198.287 2.394 30 50 AEEA N#Cc1cc(F)c(C(=O)O)c(Cl)c1 94986212 WWFWDVYYRPLSKP-UHFFFAOYSA-N 199.568 2.049 30 50 AEEA N#Cc1cccnc1NCc1ccco1 19505955 KXZBGSYFNVDYJE-UHFFFAOYSA-N 199.213 2.158 30 50 AEEA in-vitro N#CC1(c2ccccn2)CCC1 64034396 ZIERJKUZAYDTGS-UHFFFAOYSA-N 158.204 2.027 30 50 AEEA in-vitro C=C(C)C[C@@](C)(O)CC 2164078 TXUQLVYIQXLUHT-QMMMGPOBSA-N 128.215 2.114 30 50 AEEA CN(C)/C=N/[C@@H]1C[C@@H]1c1ccccc1 5688697 IUCJBKQMJIEQGY-AJGRILASSA-N 188.274 2.132 30 50 AEEA C=CCNC1CCCCC1 1690112 SQGBZKZDUMBTIJ-UHFFFAOYSA-N 139.242 2.095 30 50 AEEA in-vitro C#Cc1cccc(N2CC(C)(C)C2=O)c1 3883711 BJWAUDVSOZEORD-UHFFFAOYSA-N 199.253 2.041 30 50 AEEA in-vitro CN(C)Cc1c[nH]c2cc(C#N)ccc12 35635662 UXNMECUBRWPBNA-UHFFFAOYSA-N 199.257 2.101 30 50 AEEA C#CC12CC(CN1Cc1ccccc1)C2 1775996968 OQMIQDZWIKTYCH-UHFFFAOYSA-N 197.281 2.284 30 50 AEEA CC(C)Cc1cc(C#N)ccc1N 642886372 JCWHFIPFLMYRSO-UHFFFAOYSA-N 174.247 2.339 30 50 AEEA N#Cc1cnc(Cl)cc1Cl 40566710 VNRGFXKFARXGSX-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro Cc1ccc(C#N)c(Br)n1 8411221 XPTNCEKLFCYPKH-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA CC(C)(C#N)c1cccc(O)c1 75544935 AWAJJCYCDZATTM-UHFFFAOYSA-N 161.204 2.193 30 50 AEEA N#CC(C#N)/N=N/c1ccccc1 17061534 KLMBASWITNCMTF-OUKQBFOZSA-N 170.175 2.186 30 50 AEEA in-vitro C#Cc1ccc(OC)cc1Cl 146474324 LSTDMADOYKDOFL-UHFFFAOYSA-N 166.607 2.330 30 50 AEEA in-vitro CC1=C2C(=O)CCC[C@]2(C)CCC1=O 402387 IMNIZEDJWVWBJQ-GFCCVEGCSA-N 192.258 2.425 30 50 AEEA C#C[C@H](O)[C@H](CC)CCCC 1691016 CUUQUEAUUPYEKK-ZJUUUORDSA-N 154.253 2.197 30 50 AEEA CCCCCCCC[C@@H](N)C(=O)O 2035156 JINGUCXQUOKWKH-SECBINFHSA-N 187.283 2.149 30 50 AEEA CC(C)(C#N)c1ccccc1 2144346 PGQTYXFMSZUGOW-UHFFFAOYSA-N 145.205 2.488 30 50 AEEA in-vitro C=CCP(=O)(OCC)OCC 2146732 YPJHXRAHMUKXAE-UHFFFAOYSA-N 178.168 2.439 30 50 AEEA in-vitro Cc1ccc(C#N)cc1C 2146838 OWISXYQFTOYGRO-UHFFFAOYSA-N 131.178 2.175 30 50 AEEA biogenic,in-vitro CC1=CC(=O)[C@H]2[C@H](C)CC[C@@H]12 71785889 PLLWKYZJQPQVBK-PMVVWTBXSA-N 150.221 2.178 30 50 AEEA Cc1cccc([C@]2(C)O[C@@H]2C#N)c1 307448873 LPDYHYAZWYZIFV-MNOVXSKESA-N 173.215 2.133 30 50 AEEA C=C[C@H](C)NC(=O)c1cscc1C 307723385 UWFBQTFNMYDHIP-QMMMGPOBSA-N 195.287 2.361 30 50 AEEA C#C[C@](C)(O)CCCC(C)(C)OCC 2338189 LDOYBNYRDULLBC-LBPRGKRZSA-N 198.306 2.356 30 50 AEEA CC[C@@]1(c2ccccc2)O[C@H]1C#N 306391231 FLKSNPFRAYEFPT-QWRGUYRKSA-N 173.215 2.214 30 50 AEEA C[C@]12CCC(=O)C=C1CCCC2=O 155439 DNHDRUMZDHWHKG-NSHDSACASA-N 178.231 2.035 30 50 AEEA biogenic,in-vitro COc1cccc2c(C#N)ccnc12 83275976 LKCYRMGDZVJAGC-UHFFFAOYSA-N 184.198 2.115 30 50 AEEA C/N=C(/OC)[C@@H]1C[C@@H]1c1ccccc1 43761978 QJLJNPAUMZDPDX-AYHAQHTHSA-N 189.258 2.465 30 50 AEEA C=C[C@@]1(O)C[C@H]2CCC[C@H]1C2 101082185 OOVMXTBRAJIBJE-LPEHRKFASA-N 152.237 2.114 30 50 AEEA C#CCN(C)[C@H]1CCc2ccccc21 53275070 CSVGVHNFFZWQJU-ZDUSSCGKSA-N 185.270 2.239 30 50 AEEA CC(C)(CC#N)NC(=O)OC(C)(C)C 72191309 RSILEIAGEFITEE-UHFFFAOYSA-N 198.266 2.203 30 50 AEEA CCc1ccc([C@]2(C)O[C@@H]2C#N)cc1 306216772 LDWYYYIANBVMSA-NEPJUHHUSA-N 187.242 2.387 30 50 AEEA C=C[C@H]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2[C@H]1CO 307398436 TUKCETFBHINAIA-FQIARQCESA-N 190.286 2.239 30 50 AEEA C=C(C)CCCC(=O)OCC 2567428 YAGNKYLIKNJGBM-UHFFFAOYSA-N 156.225 2.296 30 50 AEEA Cc1cnc(Br)cc1C#N 263624952 VMRKDXMRVPQFBT-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA N#Cc1ccc(F)c2ncccc12 616567893 DTKFYJAYGVKKEN-UHFFFAOYSA-N 172.162 2.246 30 50 AEEA CC(C)(C#N)c1ccc([N+](=O)[O-])cc1 341725 XZVURMRLCAFELZ-UHFFFAOYSA-N 190.202 2.396 30 50 AEEA in-vitro C=CCOc1ccc(OC)cc1 1744449 AWFKWSSQKRKAER-UHFFFAOYSA-N 164.204 2.260 30 50 AEEA in-vitro C/C=C/N=C(\CCC)OC 71785411 MMAMCCNEBFSRDB-ZIRGRKGMSA-N 141.214 2.365 30 50 AEEA C[C@@]1(c2cccc(Cl)c2)O[C@@H]1C#N 307154214 KNRMWYRPWFHGCX-ZJUUUORDSA-N 193.633 2.478 30 50 AEEA O=C1C=CCCCCCC1 2519731 SMBUFVUYDMRGGD-UHFFFAOYSA-N 138.210 2.466 30 50 AEEA Cc1cc(C#N)cnc1Br 12496056 JECOSEMUVCECAL-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro CC1=C2C(=O)CCC[C@@]2(C)CCC1=O 402386 IMNIZEDJWVWBJQ-LBPRGKRZSA-N 192.258 2.425 30 50 AEEA CCCCCCCCO 1532735 KBPLFHHGFOOTCA-UHFFFAOYSA-N 130.231 2.339 30 50 AEEA endogenous,investigational C=CC[C@@](C)(O)c1ccccc1 2045711 BELRNEPYFJNSPN-LLVKDONJSA-N 162.232 2.470 30 50 AEEA in-vitro CCCOc1ccc(C#N)c(C#N)c1 2522745 RDLZRCSOLOTEPK-UHFFFAOYSA-N 186.214 2.219 30 50 AEEA in-vitro N#Cc1n[nH]c2ccc(Cl)cc12 39953628 QMIBICADHKQAJK-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro N#CC(=NO)c1ccc(Cl)cc1 261494952 WZZDYEHGFZLNNB-UHFFFAOYSA-N 180.594 2.042 30 50 AEEA CCc1ccc([C@]2(C)O[C@H]2C#N)cc1 306216774 LDWYYYIANBVMSA-RYUDHWBXSA-N 187.242 2.387 30 50 AEEA N#Cc1nccc2ccccc12 112431 HJHXYSBRTVFEDD-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C#CCCc1ccccc1 2579237 QDEOKXOYHYUKMS-UHFFFAOYSA-N 130.190 2.252 30 50 AEEA in-vitro N#Cc1ccc(O)cc1Br 83282462 CGPTZCZFFUYDCB-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro C[C@@]12C=CC(=O)C[C@@H]1CC=CC2 1604434 HAJWWOSVOWYULL-GXSJLCMTSA-N 162.232 2.488 30 50 AEEA N#CCCn1ccnc1-c1ccccc1 2508142 BVYPJEBKDLFIDL-UHFFFAOYSA-N 197.241 2.464 30 50 AEEA in-vitro N#CCC(=O)c1c(F)cccc1F 2579803 UFGUAZITUTVDOC-UHFFFAOYSA-N 181.141 2.061 30 50 AEEA in-vitro CCCCCCC=O 1577197 FXHGMKSSBGDXIY-UHFFFAOYSA-N 114.188 2.156 30 50 AEEA endogenous,in-man CCCCCCC[C@@H](C)NCCO 1716853 HQYIRIFFZWXTMV-LLVKDONJSA-N 187.327 2.317 30 50 AEEA O=C1C=C(O)[C@@H]2[C@@H]1[C@H]1CC[C@H]2C12CC2 257357499 OILDTODYHJQHNG-JJHYMCDRSA-N 190.242 2.063 30 50 AEEA N#CCCCCN1CCCCC1 1627108 FDSRLFIEZWQEEU-UHFFFAOYSA-N 166.268 2.166 30 50 AEEA CN[C@@H](C#N)c1cccc(Cl)c1 20173842 BONPJGBKCCVVSW-VIFPVBQESA-N 180.638 2.124 30 50 AEEA N#Cc1ccc(CN=[N+]=[N-])cc1 42390330 GWVIVHINAVAKKV-UHFFFAOYSA-N 158.164 2.369 30 50 AEEA biogenic CC(C)=C=C1[C@H](C=O)C1(C)C 238131562 OUAMUELODXIZLI-VIFPVBQESA-N 150.221 2.333 30 50 AEEA in-vitro C=CCc1c(O)ccc(C(C)=O)c1O 157806 SCTZFHGSNSIMHU-UHFFFAOYSA-N 192.214 2.029 30 50 AEEA in-vitro N#Cc1cccc(F)c1Cl 2513563 ROXFZJBRIXTCPI-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro CCOc1ccc(CC#N)cc1OC 2565995 GRTNZZWHXYRVDL-UHFFFAOYSA-N 191.230 2.160 30 50 AEEA in-vitro N#Cc1ccc2cnccc2c1 16697682 DCSWGUBEMVRKQO-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro N#Cc1ccc2ccccc2c1N 19801525 XECDNKIIZWFBHB-UHFFFAOYSA-N 168.199 2.294 30 50 AEEA in-vitro N#Cc1ccc(NC2CC2)cc1 19867425 SHZXUUVOVQTNCK-UHFFFAOYSA-N 158.204 2.133 30 50 AEEA COc1cc(Cl)ccc1C#N 45028126 RMEKKIFVJZOQEG-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro Cc1cc(F)c(F)c(CC#N)c1 257950491 FSHUCRMVJQOTAZ-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA Cc1ccc([C@@]2(C)O[C@@H]2C#N)cc1C 307375822 ZRHSHJOTBXLXQD-VXGBXAGGSA-N 187.242 2.441 30 50 AEEA Cc1ccc(C(=O)CC#N)c(C)c1 1728148 IAOTYAKWHCILDC-UHFFFAOYSA-N 173.215 2.400 30 50 AEEA in-vitro C#Cc1ccc(OCCC)cc1 2555800 NMKZRVMAECEGMV-UHFFFAOYSA-N 160.216 2.457 30 50 AEEA in-vitro C=C1CC[C@H](CC(=O)O)C1(C)C 26441726 FQEKGLSKJICRKZ-MRVPVSSYSA-N 168.236 2.454 30 50 AEEA N#CCN1CC=C(c2ccccc2)CC1 71773298 KGUSCZRLXIKSLT-UHFFFAOYSA-N 198.269 2.299 30 50 AEEA CC1(C)OB(CC2CC2)OC1(C)C 584623395 RCYXITFSTMSWPH-UHFFFAOYSA-N 182.072 2.489 30 50 AEEA Cc1cccnc1SCC#N 148208989 MAQRCBGFRUECRT-UHFFFAOYSA-N 164.233 2.006 30 50 AEEA C#CC[n+]1c(C)sc2ccccc21 405494 OJEQVGBVTRMGCY-UHFFFAOYSA-N 188.275 2.130 30 50 AEEA Cc1[nH]c2ccccc2c1C#N 3847682 ZFFATLKERBHVHQ-UHFFFAOYSA-N 156.188 2.348 30 50 AEEA CCCCOC1=CC(=O)CCC1 4284657 HQFGJBVERCJECK-UHFFFAOYSA-N 168.236 2.440 30 50 AEEA CC(C)(C)c1cc(C#N)nc(C#N)c1 211559634 ORAHYPJJQPOIHL-UHFFFAOYSA-N 185.230 2.122 30 50 AEEA C=C(C)[C@@H]1CC=C(C)C(=O)C1 14588455 ULDHMXUKGWMISQ-SECBINFHSA-N 150.221 2.488 30 50 AEEA endogenous,in-man N#CCOc1ccc(Cl)cc1C=O 20198625 PWSUNQQOAPKBKK-UHFFFAOYSA-N 195.605 2.055 30 50 AEEA in-vitro C=CCC[C@H]1CCC(=O)C1 38415719 SOVGSPFMASGWMT-QMMMGPOBSA-N 138.210 2.322 30 50 AEEA CC1=C(Br)C(=O)CC1 2379617 MXQAQVMJIDGQDO-UHFFFAOYSA-N 175.025 2.018 30 50 AEEA C[C@H](CC=O)c1ccccc1 2167041 MYHGOWDLVRDUFA-SECBINFHSA-N 148.205 2.379 30 50 AEEA C=C(C)CN1N=C(C(C)(C)C)CC1=O 6363155 VGJXNPZYWAGCLQ-UHFFFAOYSA-N 194.278 2.197 30 50 AEEA CC1(C)CCC[C@H]1C#N 86865643 YFQUNIXBJWWKJZ-ZETCQYMHSA-N 123.199 2.336 30 50 AEEA COC1=CC(=O)[C@]2(C)CC=CC[C@H]2C1 398897 KXJPPFUIQYIVBL-JOYOIKCWSA-N 192.258 2.462 30 50 AEEA C=CC[C@H]1CC=C[C@@H](CC=C)N1 1233438 GAYQJEALDMVJON-MNOVXSKESA-N 163.264 2.425 30 50 AEEA C=C(C)[C@H]1CC[C@H](C)[C@@H](O)C1 967801 KRCZYMFUWVJCLI-GUBZILKMSA-N 154.253 2.360 30 50 AEEA biogenic,in-vitro C=CCCCCC(=O)OCC 2567419 FTJATNSAFIFEDU-UHFFFAOYSA-N 156.225 2.296 30 50 AEEA CCc1ccc(OC[C@@H]2CO2)cc1 2164287 AQKZSTFCPAOFIV-LLVKDONJSA-N 178.231 2.027 30 50 AEEA in-vitro CC(C)B1OC(C)(C)C(C)(C)O1 169746001 MECCSFDHAVAAAW-UHFFFAOYSA-N 170.061 2.489 30 50 AEEA in-vitro O=[N+]([O-])c1cccc(CS)c1 6352467 MNNASYKPIIJEJF-UHFFFAOYSA-N 169.205 2.025 30 50 AEEA N#Cc1ccc2c(c1)[C@@H]1C[C@@H]3[C@@H]2[C@@]13C#N 101003268 DOUYHVRLJRNOMQ-LOWDOPEQSA-N 192.221 2.283 30 50 AEEA N#Cc1cc2nc(Cl)ccc2[nH]1 249894656 CYULQIWXOBZJIP-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA CC(=O)C1=C(C)CCC1 5766407 HDURLXYBKGWETC-UHFFFAOYSA-N 124.183 2.076 30 50 AEEA N#Cc1ccc2ccncc2c1 35269662 JGMSGABJHLXRRW-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro O=C1C=CC=CCCCC1 307822705 VOXYQOFCAFFDGD-UHFFFAOYSA-N 136.194 2.242 30 50 AEEA C#C[C@@H](O)c1ccc(Cl)cc1F 163273519 FYEFYHSIFRYYGA-SECBINFHSA-N 184.597 2.146 30 50 AEEA in-vitro CC1(C)[C@H]2C[C@H]3O[C@@]3(C)[C@@H]1C2 1687042 NQFUSWIGRKFAHK-DQUBFYRCSA-N 152.237 2.210 30 50 AEEA O=CCCc1ccccc1Cl 19682823 GCADRZXDZQALMW-UHFFFAOYSA-N 168.623 2.472 30 50 AEEA in-vitro C[C@H]1CCC[C@@H](S)C1 26515307 PWHHTYJQSMSOEC-NKWVEPMBSA-N 130.256 2.495 30 50 AEEA endogenous,in-man C/N=C/[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 43204107 KAKIQCUKNLFWTN-LYXBWHCASA-N 195.306 2.120 30 50 AEEA CN/C(=N/c1ccccc1)SC 16953762 ZUNFQDPUENHLTK-UHFFFAOYSA-N 180.276 2.257 30 50 AEEA N#Cc1cnc2ccccc2c1 388450 QZZYYBQGTSGDPP-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro Cc1cc(C)c(C#N)cc1C 2583604 VTCFOBGVVUVYHP-UHFFFAOYSA-N 145.205 2.484 30 50 AEEA C#Cc1ccc(OC)c(OCC)c1 35049691 NLSDOTTUCMODGE-UHFFFAOYSA-N 176.215 2.075 30 50 AEEA in-vitro CCCO/N=C\c1cccc(C)n1 4577834 RBVMOPOPRHDMHM-FLIBITNWSA-N 178.235 2.151 30 50 AEEA CCCNc1ccccc1C#N 20075911 KIIOPQYCYPGLIF-UHFFFAOYSA-N 160.220 2.380 30 50 AEEA in-vitro N#CCC(=O)Nc1ccc(Cl)cc1 91625 FLLVVAHFEBGZKD-UHFFFAOYSA-N 194.621 2.192 30 50 AEEA Cc1cc(Cl)cc(C#N)c1N 116324820 YBSPWZOHUJGGQB-UHFFFAOYSA-N 166.611 2.102 30 50 AEEA N#CC1(CCF)CCC1 64038088 ANRFCNSAUAQZNH-UHFFFAOYSA-N 127.162 2.040 30 50 AEEA CC1=CCC[C@@H](C)[C@H]1C=O 6030784 ZTNFZIHZMITMGE-BDAKNGLRSA-N 138.210 2.178 30 50 AEEA N#CCCCCCCC=O 71773856 GPIYCUTWSGJWLF-UHFFFAOYSA-N 139.198 2.049 30 50 AEEA C1=CCC23CC=CCC2(C1)O3 2556005 WYRIWLHHEZDTHB-UHFFFAOYSA-N 148.205 2.194 30 50 AEEA C#CCNc1cccc(C)c1C 39319998 XTVHWZXQQWJDMT-UHFFFAOYSA-N 159.232 2.349 30 50 AEEA C=CCOc1ccc(CO)c(C)c1 143982337 AYHXPXLMGFCCFB-UHFFFAOYSA-N 178.231 2.052 30 50 AEEA CCN(CC)Cc1cccc(C#N)c1 19432651 BMKWUYAFNARSIL-UHFFFAOYSA-N 188.274 2.400 30 50 AEEA in-vitro C[C@H](CCc1ccccc1)NCC#N 19535246 UYVYYRDABLSAPL-LLVKDONJSA-N 188.274 2.121 30 50 AEEA N#Cc1ccc(Cl)nc1Cl 2524730 LFCADBSUDWERJT-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro C=CCOc1ccc(C=O)cc1OC 2573375 DGWCHURQYFMBFC-UHFFFAOYSA-N 192.214 2.073 30 50 AEEA in-vitro N#C[C@@H]1CCCC[C@@]12OCCS2 44125671 JQHYQNMGUYCGNM-IUCAKERBSA-N 183.276 2.160 30 50 AEEA C=CC/C=C\C 57988933 PRBHEGAFLDMLAL-XQRVVYSFSA-N 82.146 2.139 30 50 AEEA CC1(C)CCC[C@@H]1C#N 86865642 YFQUNIXBJWWKJZ-SSDOTTSWSA-N 123.199 2.336 30 50 AEEA C=CC(C)(C)NC(C)(C)C 2039798 SXGXCSASZBCDRM-UHFFFAOYSA-N 141.258 2.339 30 50 AEEA C=CC[C@H]1C=CC[C@H](CC=C)N1 4027134 GAYQJEALDMVJON-QWRGUYRKSA-N 163.264 2.425 30 50 AEEA biogenic,in-vitro CC(C)(C)NCC#Cc1ccccc1 6882467 TXVWAFWRJIHFKG-UHFFFAOYSA-N 187.286 2.426 30 50 AEEA in-vitro N#Cc1ccc2[nH]ccc2c1F 83269378 MNWGXZUQFYDSGV-UHFFFAOYSA-N 160.151 2.179 30 50 AEEA in-vitro N#C[C@@]1(c2cccc(F)c2)CCOC1 19093057 MCIUUIBAALPEHP-NSHDSACASA-N 191.205 2.007 30 50 AEEA in-vitro C#Cc1ccc(C(=O)OC)c(Cl)c1 91305373 GFTHRHCWMLNTGN-UHFFFAOYSA-N 194.617 2.108 30 50 AEEA CCC[C@@H](C)CC=O 5837711 ZSJUABCTGCNBPF-SSDOTTSWSA-N 114.188 2.012 30 50 AEEA endogenous,in-man CC1=C[C@H](C)[C@@H](C)[C@@H](C=O)C1 4582600 DEMWVPUIZCCHPT-IVZWLZJFSA-N 152.237 2.424 30 50 AEEA COc1cccc2c1[C@@H]1C[C@]3(C#N)[C@H]2[C@@H]13 257358328 SUWKNWGRJKHXTG-KKBFJBPOSA-N 197.237 2.419 30 50 AEEA N#Cc1cncc2ccccc12 13284453 NPDZTCFGRSYTPF-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C=CC(=O)CCCCC 1850834 KLTVSWGXIAYTHO-UHFFFAOYSA-N 126.199 2.322 30 50 AEEA endogenous,in-man O=C1C=C(C2CC2)CCC1 18886568 NTIRPGKCDYESKP-UHFFFAOYSA-N 136.194 2.076 30 50 AEEA CCOc1ccc(F)cc1C#N 39168249 AYTWVRHDUCRIIO-UHFFFAOYSA-N 165.167 2.096 30 50 AEEA C[C@@H](C#N)c1ccccc1 2039218 NVAOLENBKNECGF-QMMMGPOBSA-N 131.178 2.314 30 50 AEEA in-vitro O=C1C=C[C@@H]2[C@@H]3c4ccccc4[C@H]1[C@@H]23 101036829 UFMRJSPXCBNNAG-MGAJPHDKSA-N 182.222 2.252 30 50 AEEA CC[C@]1(c2ccc(F)cc2)O[C@@H]1C#N 306297982 DDTTWMZIGFUBQB-GHMZBOCLSA-N 191.205 2.353 30 50 AEEA N#Cc1ccc2c(c1)CCCCC2=O 170618880 OMRHWWVFIQTIHF-UHFFFAOYSA-N 185.226 2.467 30 50 AEEA C=C[C@@]1(C)CCCC(=O)C1 32176663 MIRPXLBBGORDCA-VIFPVBQESA-N 138.210 2.322 30 50 AEEA CCC(C=O)(CC)CCC#N 1695423 AMUXIQHQXOKMTN-UHFFFAOYSA-N 153.225 2.295 30 50 AEEA CCCCCC[C@@H]1O[C@H]1[C@@H](O)CC 3132881 MZWYIBGJZWHXHJ-DCAQKATOSA-N 186.295 2.495 30 50 AEEA C=CC[C@H](O)Cc1ccccc1 36466351 YQNUFNXWLWCHSH-NSHDSACASA-N 162.232 2.166 30 50 AEEA N#CCc1cc(C(F)(F)F)ccn1 44368461 WHYZMJPCMMNSSR-UHFFFAOYSA-N 186.136 2.166 30 50 AEEA in-vitro C=CC[S@](=N)(=O)c1ccccc1 196639606 SCXLFLUKHWQGQD-LBPRGKRZSA-N 181.260 2.278 30 50 AEEA O/N=C/c1ccccc1Cl 4578248 FZIVKDWRLLMSEJ-WEVVVXLNSA-N 155.584 2.148 30 50 AEEA C=C[C@H](O)CN(CCCC)CCCC 2171099 MBESFWFEAFNCAI-LBPRGKRZSA-N 199.338 2.436 30 50 AEEA N#C[C@]1(Cl)C[C@H]2C=C[C@H]1C2 100389333 UCYKNDOOVFKJKU-BIIVOSGPSA-N 153.612 2.084 30 50 AEEA in-vitro N#Cc1cnc2c(F)cc(F)cc2c1 238633977 ZSIDBZGYDGHXOA-UHFFFAOYSA-N 190.152 2.385 30 50 AEEA C#C[C@H](O)[C@@H](CC)CCCC 1691017 CUUQUEAUUPYEKK-UWVGGRQHSA-N 154.253 2.197 30 50 AEEA Fc1ccc(CS)cc1F 4244664 PMVFMBMIMRXHDS-UHFFFAOYSA-N 160.188 2.395 30 50 AEEA in-vitro [N-]=[N+]=Nc1ccccc1C(=O)O 33836140 JCBWQNLTYXTHBZ-UHFFFAOYSA-N 163.136 2.327 30 50 AEEA in-vitro CN(C)/C=C/C(=O)c1cccs1 104546 NXYSVZGMDFMOJJ-AATRIKPKSA-N 181.260 2.006 30 50 AEEA in-vitro N#CC(C#N)c1ccc2ccccc2n1 5332253 NTVVLLHKCZJVKS-UHFFFAOYSA-N 193.209 2.366 30 50 AEEA COc1ccc2c(CC#N)c[nH]c2c1 281913 TXDMKKKJRXIVNO-UHFFFAOYSA-N 186.214 2.243 30 50 AEEA in-vitro CC(C)(C#N)/N=N/C(C)(C)C#N 18055421 OZAIFHULBGXAKX-VAWYXSNFSA-N 164.212 2.043 30 50 AEEA Cc1cccc([C@@]2(C)O[C@@H]2C#N)c1 307448871 LPDYHYAZWYZIFV-GHMZBOCLSA-N 173.215 2.133 30 50 AEEA O=C1C=C(c2ccccc2)CS1 1568862 MDJPAKZIEDXUFY-UHFFFAOYSA-N 176.240 2.343 30 50 AEEA CCCC/C=C/C(C)=O 100010228 ZCFOBLITZWHNNC-VOTSOKGWSA-N 126.199 2.322 30 50 AEEA endogenous,in-man C=C(C)CNC(=O)c1sccc1F 306160717 FZWBYCZGDARVBO-UHFFFAOYSA-N 199.250 2.193 30 50 AEEA COc1ccc(CCC#N)cc1OC 1559103 LECKQPWCSYMCDR-UHFFFAOYSA-N 191.230 2.160 30 50 AEEA N#Cc1ccccc1-n1cccc1C=O 2582727 ANNWZZOYLIEVJW-UHFFFAOYSA-N 196.209 2.161 30 50 AEEA in-vitro N#C[C@@H]1CC(F)(F)[C@]1(F)Cl 8100896 UTOYDUSNBSGAKD-UCORVYFPSA-N 169.533 2.070 30 50 AEEA in-vitro C=CCCC=C 1690408 PYGSKMBEVAICCR-UHFFFAOYSA-N 82.146 2.139 30 50 AEEA in-vitro C/N=C1C(=N\O)\C=C[C@@H]2CCCC[C@H]\12 12362825 RUSBENYTOVBCRA-GSYFDOSPSA-N 192.262 2.264 30 50 AEEA N#Cc1ccc2cccnc2c1 34925431 OZMHIFNNCZPJFS-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C#Cc1cc(F)c(F)c(F)c1 58626235 BZXWRVPVZZZAKB-UHFFFAOYSA-N 156.106 2.085 30 50 AEEA in-vitro O=C1C=C(C(F)(F)F)CCC1 135896081 PJVVPVVXUVHMOX-UHFFFAOYSA-N 164.126 2.228 30 50 AEEA COc1ccc2[nH]cc(CC#N)c2c1 2389515 ZBQCXEREMRGOCO-UHFFFAOYSA-N 186.214 2.243 30 50 AEEA O=CCc1ccccc1Br 2581067 AXBFWAWZAFWFQW-UHFFFAOYSA-N 199.047 2.191 30 50 AEEA in-vitro N#CC1(O[C@H]2CCCCO2)CCCC1 39112488 KHBMEQRRNRLREB-JTQLQIEISA-N 195.262 2.366 30 50 AEEA Cc1cc(F)c(C#N)c(F)c1 113069890 RTVLTDRAGDCUHV-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA N#Cc1scc(C2CC2)c1N 218897588 CYMNPHGJUBPJHV-UHFFFAOYSA-N 164.233 2.079 30 50 AEEA in-vitro N#Cc1ccnc2ccccc12 400147 JBSAUEMFOKUWTP-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro N#Cc1cc(C=O)ccc1Cl 87493490 YNXDZOKTZHHBLM-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA CCCC[C@@H](C#N)SC1COC1 1875281994 IZWQWTFLGJSPMK-QMMMGPOBSA-N 185.292 2.201 30 50 AEEA C=CCC1CN(C(=O)OC(C)(C)C)C1 36404817 NRVSFSWUHOREJA-UHFFFAOYSA-N 197.278 2.429 30 50 AEEA in-vitro CCCCC1=CCCC1=O 115344370 LQANWSYLRLMKDX-UHFFFAOYSA-N 138.210 2.466 30 50 AEEA C[Si](C)(C)C#CCCCCO 196090262 ZLWMSSFYDZHCSZ-UHFFFAOYSA-N 170.328 2.030 30 50 AEEA CN(CC#N)C1CCC(F)(F)CC1 306927337 TWMCIOQSCWNZAE-UHFFFAOYSA-N 188.221 2.020 30 50 AEEA N#Cc1cc(Cl)c(F)cc1O 236567360 LSXOYSYTODWLCE-UHFFFAOYSA-N 171.558 2.056 30 50 AEEA in-vitro c1cnc2c(c1)[C@@H]1O[C@@H]1c1cccnc1-2 18120220 GGQHROHZSIPVQE-TXEJJXNPSA-N 196.209 2.270 30 50 AEEA C[C@@H](C#N)CB1OC(C)(C)C(C)(C)O1 2325903874 NIVWAYRVRMROOI-MRVPVSSYSA-N 195.071 2.238 30 50 AEEA CSc1nc(C)cc(C)c1C#N 39850 XKBIUWWLAZLZKL-UHFFFAOYSA-N 178.260 2.292 30 50 AEEA in-vitro Cc1ccc(Br)c(C#N)n1 16124080 ARSYSTQQVJUEBW-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C#CCN(C)[C@@H]1CCc2ccccc21 53275068 CSVGVHNFFZWQJU-CYBMUJFWSA-N 185.270 2.239 30 50 AEEA in-vivo C=CC1CN(C(=O)OC(C)(C)C)C1 66309035 YASOUSGMWNLROI-UHFFFAOYSA-N 183.251 2.039 30 50 AEEA in-vitro N#Cc1cc2c3c(c1)CCCN3CCC2 4347694 BXODSMVXUSYGPD-UHFFFAOYSA-N 198.269 2.257 30 50 AEEA in-vitro CCCC(C)(C)NCCC#N 96026974 IICSDKXOYJDVKO-UHFFFAOYSA-N 154.257 2.068 30 50 AEEA CC(C)Nc1ccc(C#N)cc1 19951232 DFJUAQRBUUGSNE-UHFFFAOYSA-N 160.220 2.379 30 50 AEEA in-vitro N#Cc1cccc2ccncc12 35269664 PZNNHPZBZRHNDO-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro C(=N\Nc1ccccn1)\c1ccco1 4948620 AQQBIFLQQZWBQB-WQLSENKSSA-N 187.202 2.121 30 50 AEEA CN(C)/C=C/C(=O)c1ccsc1 126607 CDOOQLDZGMQWQC-HWKANZROSA-N 181.260 2.006 30 50 AEEA COc1ccccc1OCCCC#N 19477413 KSQDJRBRMAIOJL-UHFFFAOYSA-N 191.230 2.378 30 50 AEEA Cc1nc(S)c(C#N)c2c1CCC2 33803878 FIYBVHOGFBIUPY-UHFFFAOYSA-N 190.271 2.039 30 50 AEEA C=C(C)[C@@H]1CC=C(CO)CC1 3861538 NDTYTMIUWGWIMO-SNVBAGLBSA-N 152.237 2.281 30 50 AEEA endogenous,world N#CCc1cccc2c1OC(F)(F)O2 44369358 QNRCWJXNVMCLKH-UHFFFAOYSA-N 197.140 2.074 30 50 AEEA Cc1nccn1-c1cccc(C#N)c1 74938110 TXOKCNFPHCSTLG-UHFFFAOYSA-N 183.214 2.052 30 50 AEEA N#Cc1c(-c2ccco2)csc1N 95117723 NUMZLMAJFIXAAK-UHFFFAOYSA-N 190.227 2.462 30 50 AEEA CC1(C)OB(C#CC2CC2)OC1(C)C 169794320 MCMLWIQRCZRVNH-UHFFFAOYSA-N 192.067 2.031 30 50 AEEA in-vitro CSc1ccc(C#N)cc1 157122 RPVGEEHGKIFQFO-UHFFFAOYSA-N 149.218 2.280 30 50 AEEA Fc1cccc(CS)c1 4244654 PMZGGJCLPBGARD-UHFFFAOYSA-N 142.198 2.256 30 50 AEEA ON=C1CCCCCC1 4896574 OENGSNXUALAIFP-UHFFFAOYSA-N 127.187 2.171 30 50 AEEA in-vitro C=C(C)COc1cccc(N)c1 9697653 VYMJSMCCRLTQKM-UHFFFAOYSA-N 163.220 2.224 30 50 AEEA in-vitro C[C@](O)(C#Cc1ccccc1)C1CC1 22339636 WAOKHEXHUCTGBJ-ZDUSSCGKSA-N 186.254 2.199 30 50 AEEA C[C@H](Nc1ccc(C#N)nc1)C1CC1 131887337 NTHVJFTXPIXUAI-QMMMGPOBSA-N 187.246 2.164 30 50 AEEA C=CCC(N)(CC=C)c1ccncc1 264979 XDRUAEWMWKKGLT-UHFFFAOYSA-N 188.274 2.388 30 50 AEEA N#Cc1cc(F)cc(Cl)c1 732127 GIKLRWNRBOLRDV-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro N#Cc1ccc(Cl)cc1F 2512515 JRDMGVGCATYZPW-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro C=CCOc1ccc(CN)c(Cl)c1 66325701 DRUZUVALYDATJK-UHFFFAOYSA-N 197.665 2.364 30 50 AEEA C=C(C)[C@@H]1CC=C(C)[C@H](O)C1 967809 BAVONGHXFVOKBV-NXEZZACHSA-N 152.237 2.280 30 50 AEEA endogenous,in-man ON=C(Cl)c1ccccc1 255003940 GYHKODORJRRYBU-UHFFFAOYSA-N 155.584 2.061 30 50 AEEA COc1cc(C#N)cc(Cl)c1OC 365888 FYVNQNKFUPQFLQ-UHFFFAOYSA-N 197.621 2.229 30 50 AEEA C=CCOc1ccc(C=O)cc1 1676478 TYNJQOJWNMZQFZ-UHFFFAOYSA-N 162.188 2.064 30 50 AEEA biogenic,in-vitro CC(=O)/C=C/CC(C)C 5359455 RSNMTAYSENLHOW-GQCTYLIASA-N 126.199 2.178 30 50 AEEA endogenous,in-man C=CCOc1ccccc1NC(C)=O 2173214 HRVXNGRHCJTUDV-UHFFFAOYSA-N 191.230 2.210 30 50 AEEA CCCCC#CCCCCO 2565722 RNTNGQCWAKHVKO-UHFFFAOYSA-N 154.253 2.343 30 50 AEEA CC(C)n1cnc2cc(C#N)ccc21 65337234 ODUZNBDWBQODIQ-UHFFFAOYSA-N 185.230 2.489 30 50 AEEA in-vitro C=CC[C@H](O)c1ccccc1 1640888 RGKVZBXSJFAZRE-JTQLQIEISA-N 148.205 2.296 30 50 AEEA in-vitro C[C@@H](C#N)Sc1ncccc1F 334660579 NEEMLLCCCJVIAI-LURJTMIESA-N 182.223 2.225 30 50 AEEA CCSC#CSCC 2172959 FOYUECWZDHYCIQ-UHFFFAOYSA-N 146.280 2.411 30 50 AEEA O/N=C(\Cl)c1cccc(F)c1 13367399 CQEGJGFPGPNQNG-YFHOEESVSA-N 173.574 2.200 30 50 AEEA C[Si](C)(C)C#Cc1cccnc1 169746860 MTMBLPOPETZZRX-UHFFFAOYSA-N 175.307 2.311 30 50 AEEA in-vitro CC(=O)CCB1OC(C)(C)C(C)(C)O1 169978305 LKTYRLPRDAUIDH-UHFFFAOYSA-N 198.071 2.058 30 50 AEEA in-vitro CC1(C)OB([C@@H]2C[C@H]2F)OC1(C)C 238175826 POMLRTZOASUWBX-RNFRBKRXSA-N 186.035 2.191 30 50 AEEA O=C1C=C[C@@H]2[C@@H]3c4ccccc4[C@@H]1[C@H]23 254493716 UFMRJSPXCBNNAG-LPTSXCQYSA-N 182.222 2.252 30 50 AEEA COC(=O)C12CCC(C#N)(CC1)CC2 91297243 UTSHTDGCQQHAPB-UHFFFAOYSA-N 193.246 2.024 30 50 AEEA Cc1cccc(NC(=O)CC#N)c1C 390618 LYYUSDYWIKYDCW-UHFFFAOYSA-N 188.230 2.156 30 50 AEEA in-vitro N#Cc1cscc1Br 480609 RTOSSMAWCKNWFX-UHFFFAOYSA-N 188.049 2.382 30 50 AEEA in-vitro CCCc1ccc(N)c(C#N)c1 131837576 DWKGQNHIHZRBJF-UHFFFAOYSA-N 160.220 2.093 30 50 AEEA C[C@@H](C=O)C1CCCCC1 1571238 UQURIQWAEZGLAC-QMMMGPOBSA-N 140.226 2.402 30 50 AEEA CCCCCCCCNC=O 1687337 ZBWPKQRQZDZVSF-UHFFFAOYSA-N 157.257 2.093 30 50 AEEA in-vitro Cc1c(C=O)ccc2[nH]c(C#N)cc12 888088151 WXKSWTXSZDGHGT-UHFFFAOYSA-N 184.198 2.161 30 50 AEEA CCCCCC[C@H]1CO1 1866967 NJWSNNWLBMSXQR-QMMMGPOBSA-N 128.215 2.356 30 50 AEEA in-vitro C[N+](C)=C/C=C/C=C1C=CCC=C1 3070195 PFCCIPWMUUGBQD-VOTSOKGWSA-N 174.267 2.328 30 50 AEEA C=C[C@]1(C)CCCC(=O)C1 32176660 MIRPXLBBGORDCA-SECBINFHSA-N 138.210 2.322 30 50 AEEA N#CCc1ccc(Cl)cc1[N+](=O)[O-] 39437602 LLMNPCDIPYPKHC-UHFFFAOYSA-N 196.593 2.314 30 50 AEEA N#Cc1ccc2c(c1)CCCC2=O 43574058 FGWRKZJKRYCDOF-UHFFFAOYSA-N 171.199 2.077 30 50 AEEA C#Cc1cncc(Br)c1C 685944719 WEUQPZHKVCGXNI-UHFFFAOYSA-N 196.047 2.134 30 50 AEEA C=CCOC(=O)CCCCC 1577275 RCSBILYQLVXLJG-UHFFFAOYSA-N 156.225 2.296 30 50 AEEA endogenous,in-man CCCC(C=O)CCC 2389606 BAUHZKXBGXCLBO-UHFFFAOYSA-N 128.215 2.402 30 50 AEEA in-vitro C/N=C1C(=N\O)\C=C[C@@H]2CCCC[C@@H]\12 12362823 RUSBENYTOVBCRA-YYXKDPJWSA-N 192.262 2.264 30 50 AEEA CC(C)Oc1ccc(C#N)cc1 19425971 OJZKKEGJFOAAAV-UHFFFAOYSA-N 161.204 2.345 30 50 AEEA in-vitro N#CCc1c(F)cccc1F 409205 GVAYBGQTAADLJS-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA in-vitro CC(C)c1ccc(OCC=O)cc1 3131434 HBOOBZBUVULMCO-UHFFFAOYSA-N 178.231 2.388 30 50 AEEA O=CCc1ccccc1C(F)(F)F 12953279 YJFBOFNEYFSKQC-UHFFFAOYSA-N 188.148 2.447 30 50 AEEA in-vitro CCCC#CB1OC(C)(C)C(C)(C)O1 170170835 RXNSNUUTGWELNS-UHFFFAOYSA-N 194.083 2.421 30 50 AEEA CC(C)CCON=Cc1ccccn1 254457887 MZJMRIJVYKXBNB-UHFFFAOYSA-N 192.262 2.478 30 50 AEEA CC1(C)OB(C=C(F)F)OC1(C)C 1772715584 MVFUXTLLCRCQML-UHFFFAOYSA-N 189.998 2.398 30 50 AEEA CCCCCCS 3861659 PMBXCGGQNSVESQ-UHFFFAOYSA-N 118.245 2.497 30 50 AEEA endogenous,in-man CC(C)(C)C1CCC(N)(C#N)CC1 22223249 KRFKBXXGOKTNDZ-UHFFFAOYSA-N 180.295 2.444 30 50 AEEA in-vitro Cc1ccc(SCC#N)nc1 215962979 KEJFODCBRNGMEC-UHFFFAOYSA-N 164.233 2.006 30 50 AEEA [N-]=[N+]=N/C(=N/O)c1ccc(F)cc1 685939445 RLLZEJHBMZEXRV-YRNVUSSQSA-N 180.142 2.272 30 50 AEEA N#Cc1cc(F)ccc1-c1cc[nH]n1 725273282 SEGSNWVTZXPWAX-UHFFFAOYSA-N 187.177 2.087 30 50 AEEA COCc1cc(C)[nH]c(=S)c1C#N 50203 SMCNWFMAIULJRJ-UHFFFAOYSA-N 194.259 2.071 30 50 AEEA CN(C)Cc1c[nH]c2ccc(C#N)cc12 2013427 JOPBIDDQPQFQHZ-UHFFFAOYSA-N 199.257 2.101 30 50 AEEA in-vitro C=C[C@@H]1O[C@H](C)CC(C)(C)O1 4582797 XLVQNXPLYGVRKU-HTQZYQBOSA-N 156.225 2.103 30 50 AEEA in-vitro N#Cc1ccc(O)cc1C(F)(F)F 15442959 MDBVIOUGHSKRMT-UHFFFAOYSA-N 187.120 2.283 30 50 AEEA in-vitro N#Cc1ccc2ccc(O)cc2c1 21989696 NFBPHZSDBOVNAL-UHFFFAOYSA-N 169.183 2.417 30 50 AEEA in-vitro C[C@H](CO)CCC#C[Si](C)(C)C 169835881 ZDECBCODGQAIPC-JTQLQIEISA-N 184.355 2.276 30 50 AEEA C[Si](C)(C)C#Cc1ccncc1 169888484 CWZAHASBSZJRDV-UHFFFAOYSA-N 175.307 2.311 30 50 AEEA in-vitro C=CCN1Cc2ccccc2C1 26806113 AMXIPEYPKLQUDA-UHFFFAOYSA-N 159.232 2.188 30 50 AEEA O=C1C=C[C@H](C[C@@H]2CCCO2)CC1 104297540 DVZNFILJZIOYPQ-ONGXEEELSA-N 180.247 2.091 30 50 AEEA N#CCCN(N=O)c1ccccc1 4948104 GZTWRJZZYULARU-UHFFFAOYSA-N 175.191 2.088 30 50 AEEA C=CC(=O)NCC(=C)c1ccccc1 1120554308 PWHJZXLULTVDOF-UHFFFAOYSA-N 187.242 2.002 30 50 AEEA CC(=O)/C=C/c1ccc2c(c1)OCO2 1754404 XIYPXOFSURQTTJ-NSCUHMNNSA-N 190.198 2.018 30 50 AEEA O=C1CCC/C1=C/c1ccco1 500315 PBWBXZYCANWCGJ-FPLPWBNLSA-N 162.188 2.416 30 50 AEEA CN1CCS/C1=N/c1ccccc1 101922378 GACCHRZLNADJNW-ZHACJKMWSA-N 192.287 2.353 30 50 AEEA [N-]=[N+]=Nc1ccc(/C=N/O)cc1 13304759 SUFQWHXIOMEMBH-WEVVVXLNSA-N 162.152 2.437 30 50 AEEA C=CCCC1CCN(C)CC1 117314016 XYHWGXVHEAKZNT-UHFFFAOYSA-N 153.269 2.294 30 50 AEEA in-vitro CC1(C)OB(C2CC2)OC1(C)C 169743430 XGBMQBPLWXTEPM-UHFFFAOYSA-N 168.045 2.243 30 50 AEEA in-vitro CCCCO/C=C/C(=O)C(F)(F)F 32911371 JMCLSTURONLRIB-GQCTYLIASA-N 196.168 2.448 30 50 AEEA in-vitro COc1ccc2nc(C#N)sc2c1 2539373 DEWDWBYQOFXKIH-UHFFFAOYSA-N 190.227 2.177 30 50 AEEA C=CCCCNC(=O)OC(C)(C)C 38881717 UZABMBWHKURXMU-UHFFFAOYSA-N 185.267 2.477 30 50 AEEA in-vitro N#CCc1ccncc1C(F)(F)F 238579450 XKGKACDGAMSOKO-UHFFFAOYSA-N 186.136 2.166 30 50 AEEA N#CCc1ccc(F)cc1F 155244 AGAOESUOSOGZOD-UHFFFAOYSA-N 153.131 2.031 30 50 AEEA C=CCNCc1ccccc1OCC 8325586 HGOZAYLMJWJOTL-UHFFFAOYSA-N 191.274 2.361 30 50 AEEA in-vitro C[C@]1(c2cccc(Cl)c2)O[C@H]1C#N 307154213 KNRMWYRPWFHGCX-VHSXEESVSA-N 193.633 2.478 30 50 AEEA C=C(C(C)=O)[Si](C)(C)C 169830305 SDWXIGKTVZPGPG-UHFFFAOYSA-N 142.274 2.009 30 50 AEEA N#CCc1ccc2c(c1)OC(F)(F)O2 44369243 OGDSGFSPCQGELG-UHFFFAOYSA-N 197.140 2.074 30 50 AEEA in-vitro C#C[C@H]1CCc2ccccc21 150188603 DMCAWSIZRCCGGK-VIFPVBQESA-N 142.201 2.350 30 50 AEEA in-vitro C#CC1[C@@H]2CCCC[C@@H]12 1772572622 ZANCPIQLQRAOGR-IUCAKERBSA-N 120.195 2.056 30 50 AEEA N#CCc1ccccc1Cl 406929 MRDUURPIPLIGQX-UHFFFAOYSA-N 151.596 2.406 30 50 AEEA in-vitro C=CCOc1cc(C=O)ccc1OC 3136345 WUDYMKBALKOCCE-UHFFFAOYSA-N 192.214 2.073 30 50 AEEA CC(C)C1CCC2(CC1)O[C@H]2C#N 307622482 PZHHJMVYOPKTLG-YVNMAJEFSA-N 179.263 2.494 30 50 AEEA N#Cc1c(-c2ccccc2)c[nH]c1N 74637 XYEJDFIDVKWWTR-UHFFFAOYSA-N 183.214 2.136 30 50 AEEA C#C[C@](C)(O)CCCCCC 1596798 VQUXVWMAXIQKTQ-JTQLQIEISA-N 154.253 2.341 30 50 AEEA C=C(C)[C@H]1CC(=O)[C@@H](C)[C@@H](C#N)C1 169382619 VRUMBVSOGMYXKH-IVZWLZJFSA-N 177.247 2.317 30 50 AEEA C=C(C)c1nc2ccccc2c(=O)o1 179749 AZNRRSDDHIZUAV-UHFFFAOYSA-N 187.198 2.221 30 50 AEEA Cc1cccc(CC#N)c1 1571183 WOJADIOTNFDWNQ-UHFFFAOYSA-N 131.178 2.061 30 50 AEEA in-vitro Cc1cc(F)cc(F)c1C#N 263622970 CMFZJAGSBWDFCO-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA CC1=CCC[C@@H](C)[C@@H]1C=O 6030788 ZTNFZIHZMITMGE-RKDXNWHRSA-N 138.210 2.178 30 50 AEEA N#Cc1ccc2ncsc2c1 35635926 WYRRTJKOMZONQO-UHFFFAOYSA-N 160.201 2.168 30 50 AEEA CC(C)(C)c1cc(C#N)ccn1 65251 CJAKCVBSWSUUHM-UHFFFAOYSA-N 160.220 2.251 30 50 AEEA in-vitro CCCCCCOC(=O)CS 4276996 HTTYRACTMYJREK-UHFFFAOYSA-N 176.281 2.040 30 50 AEEA COc1ccc2c(C#N)ccnc2c1 75086209 SNTKGXZTKLJDJI-UHFFFAOYSA-N 184.198 2.115 30 50 AEEA C[S+](C)[B-](Cl)(Cl)Cl 170156075 YNDYUDLLOGOQNW-UHFFFAOYSA-N 179.308 2.016 30 50 AEEA C[C@@H](O)CCCC#C[Si](C)(C)C 195825153 JPUNKAMJCLYLOS-SNVBAGLBSA-N 184.355 2.418 30 50 AEEA N#C[C@H]1OC12CCCCCC2 225231836 OPHREDJYBDGDQQ-MRVPVSSYSA-N 151.209 2.002 30 50 AEEA COc1cccc([C@H](C#N)CC#N)c1 393399 NGFCCBPURFJNTA-JTQLQIEISA-N 186.214 2.216 30 50 AEEA C=CCOCC(F)(F)C(F)F 2576921 MEIXYCHYADMPTF-UHFFFAOYSA-N 172.121 2.089 30 50 AEEA in-vitro CC/N=C/c1ccccc1 3083158 IIVYBNBDIDWPQV-CSKARUKUSA-N 133.194 2.125 30 50 AEEA CSc1nc(C)c(C#N)c(Cl)n1 117591313 RNSMJMNRTRHBSF-UHFFFAOYSA-N 199.666 2.032 30 50 AEEA in-vitro Cc1cc(C#N)cc(F)c1F 168242543 ATSPMHCCJTYZEF-UHFFFAOYSA-N 153.131 2.145 30 50 AEEA O=CC1CCCCCC1 5189121 UGBFRCHGZFHSBC-UHFFFAOYSA-N 126.199 2.156 30 50 AEEA in-vitro CCC[C@@H](C)CC#N 51320356 JDVUMGUHKLDEQL-SSDOTTSWSA-N 111.188 2.336 30 50 AEEA COc1cc(C#N)cc2ncccc12 214465770 DKTHOHCVDRWLMH-UHFFFAOYSA-N 184.198 2.115 30 50 AEEA N#Cc1cccc2occc12 39593450 VCQONKRSTAUGEP-UHFFFAOYSA-N 143.145 2.304 30 50 AEEA in-vitro N#Cc1ccc2nc(S)sc2c1 45236162 XRIDVJQTZRUCDJ-UHFFFAOYSA-N 192.268 2.457 30 50 AEEA C=CCc1cc(OC)ccc1OC 6017998 FRYMRMPLKQWKEP-UHFFFAOYSA-N 178.231 2.432 30 50 AEEA CC[C@]1(c2ccccc2)O[C@H]1C#N 306391239 FLKSNPFRAYEFPT-WDEREUQCSA-N 173.215 2.214 30 50 AEEA Cc1ccnc(C#N)c1Br 72204015 FBVRTASSYFBLLN-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA CCOP(=O)(OCC)[C@@H](C)C#N 4975650 UMLWEPGSWQNXQX-ZETCQYMHSA-N 191.167 2.165 30 50 AEEA C[C@H](C#N)c1ccc(F)cc1[N+](=O)[O-] 44127081 VQYFQFGWWJAMTC-ZCFIWIBFSA-N 194.165 2.361 30 50 AEEA CCc1noc(-c2cccc(C#N)c2)n1 84846912 BKYHUDXYMVZBNQ-UHFFFAOYSA-N 199.213 2.171 30 50 AEEA C/C(=N/O)c1c[nH]c2ccccc12 100059174 ZUYHZNAHKFXLAO-GHXNOFRVSA-N 174.203 2.366 30 50 AEEA C=C(C)CNCc1cccc(O)c1 160317050 WOYWXNBMZDIVOZ-UHFFFAOYSA-N 177.247 2.058 30 50 AEEA N#CCNC12CC3CC(CC(C3)C1)C2 12343420 OHYSSBLWXFRRIR-UHFFFAOYSA-N 190.290 2.068 30 50 AEEA CC[C@]1(c2ccccc2F)O[C@@H]1C#N 306282915 IMITXALSOJZMRT-GHMZBOCLSA-N 191.205 2.353 30 50 AEEA CC1=C[C@H](C)[C@H](C=O)CC1 4524381 MZZRKEIUNOYYDF-IUCAKERBSA-N 138.210 2.178 30 50 AEEA O=C1C=C2[C@H]3CCC[C@@H](C3)[C@H]2C1 101080878 UPWPZUBKZKKPBT-DKCNOQQISA-N 162.232 2.322 30 50 AEEA CC(C)O[C@H](C=O)c1ccccc1 137677344 CYGCSYIVBPFMHP-LLVKDONJSA-N 178.231 2.352 30 50 AEEA in-vitro N#CCC(=O)c1ccc2ncccc2c1 114850075 FEDPKBUOSHROCN-UHFFFAOYSA-N 196.209 2.331 30 50 AEEA in-vitro CC1(C)OB(CCCC#N)OC1(C)C 169743465 LVMSRWXPZLRTIC-UHFFFAOYSA-N 195.071 2.382 30 50 AEEA in-vitro C=C(B1OCCCO1)c1ccccc1 169904341 UJNPUKGUVLOFOZ-UHFFFAOYSA-N 188.035 2.164 30 50 AEEA Cc1ccc(CC#N)cc1 2242671 RNHKXHKUKJXLAU-UHFFFAOYSA-N 131.178 2.061 30 50 AEEA in-vitro C=C1C[C@H]2C=C(NC(C)=O)C[C@@H](C1)C2 4947991 XEYRFYLLTNHUQE-MNOVXSKESA-N 191.274 2.383 30 50 AEEA C#Cc1cc(C)cc(C)c1 58626241 JVEFKVKLVXNSND-UHFFFAOYSA-N 130.190 2.285 30 50 AEEA COc1ccc(CCC(C)=NO)cc1 252444086 GBYOVSQIHCOUBT-UHFFFAOYSA-N 193.246 2.478 30 50 AEEA N#Cc1ccc2ccccc2n1 112436 WDXARTMCIRVMAE-UHFFFAOYSA-N 154.172 2.106 30 50 AEEA in-vitro COc1ccc(C2(C#N)CC2)cc1 394732 OIQRGAQXQLASRC-UHFFFAOYSA-N 173.215 2.250 30 50 AEEA in-vitro N#CCCC[C@@H](C#N)CCC#N 2039258 LNLFLMCWDHZINJ-SECBINFHSA-N 161.208 2.124 30 50 AEEA in-vitro CC(=O)/C(Cl)=N\Nc1ccccc1 8385653 PYMVUVGFFYXCSY-FMIVXFBMSA-N 196.637 2.240 30 50 AEEA C=CCOc1ccccc1[C@@H](C)N 37697650 RMJYCMDUAJKNKH-SECBINFHSA-N 177.247 2.271 30 50 AEEA in-vitro N#Cc1ccccc1Cl 157274 NHWQMJMIYICNBP-UHFFFAOYSA-N 137.569 2.212 30 50 AEEA CC/N=C/c1ccc(OC)cc1 85667185 DCJSLGAOLYOQBB-DHZHZOJOSA-N 163.220 2.134 30 50 AEEA CC#CCCCC 1691699 AMSFEMSYKQQCHL-UHFFFAOYSA-N 96.173 2.200 30 50 AEEA in-vitro CSc1sc(C(=O)O)cc1C#N 35605551 YRDBBAGWMJGPKF-UHFFFAOYSA-N 199.256 2.040 30 50 AEEA in-vitro C=CC[C@@H](N)c1ccc(F)cc1 42394981 NLXGUZPOWJQRTI-SNVBAGLBSA-N 165.211 2.402 30 50 AEEA C=CC[C@@H](O)c1ccccc1 2579183 RGKVZBXSJFAZRE-SNVBAGLBSA-N 148.205 2.296 30 50 AEEA in-vitro CC(C)OC(=O)c1cccc(C#N)c1 70286886 YMOAZNBHBMMUSB-UHFFFAOYSA-N 189.214 2.123 30 50 AEEA in-vitro C=C[C@]12C=C[C@@H](CC1)C[C@@]2(O)C=C 101082505 FEHMGZRLCMAMLR-SRVKXCTJSA-N 176.259 2.446 30 50 AEEA Cn1cc(-c2ccsc2C#N)cn1 259846047 YVNXXIYLOWMMQG-UHFFFAOYSA-N 189.243 2.020 30 50 AEEA C=CCc1cc(OC)c2c(c1)OCO2 403089 BNWJOHGLIBDBOB-UHFFFAOYSA-N 192.214 2.152 30 50 AEEA endogenous,in-man C=C1CCC[C@H](C)[C@@H]1CCO 3070125 ZINDPOBVQRKRCZ-VHSXEESVSA-N 154.253 2.361 30 50 AEEA CN(C)C(Cl)=Nc1ccccc1 256415788 GEMHFKXPOCTAIP-UHFFFAOYSA-N 182.654 2.475 30 50 AEEA N#CC1CCCCC1 1758832 VBWIZSYFQSOUFQ-UHFFFAOYSA-N 109.172 2.090 30 50 AEEA CCc1ccc(C#N)cc1 2565985 SXFFMFAQNAFSLF-UHFFFAOYSA-N 131.178 2.121 30 50 AEEA in-vitro C=CCOc1cccc(CNCC)c1 9193940 MODJGOSRLLDTTQ-UHFFFAOYSA-N 191.274 2.361 30 50 AEEA N#Cc1c[nH]c2nccc(Cl)c12 19046160 XQAJHQBDIDWDGZ-UHFFFAOYSA-N 177.594 2.088 30 50 AEEA in-vitro C=CC[C@]1(O)CCCC[C@@]1(O)CC=C 43198566 ZXJKALDMAVBZLF-RYUDHWBXSA-N 196.290 2.175 30 50 AEEA C=CCC(N)(CC=C)C1CCOCC1 74934362 HSEUBOQRMZTHEV-UHFFFAOYSA-N 195.306 2.263 30 50 AEEA N#Cc1cc(Cl)cc(F)c1F 97758801 YVPKTCIAWKAIBN-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA C=CCCCCCCO 2569624 WXPWPYISTQCNDP-UHFFFAOYSA-N 128.215 2.115 30 50 AEEA in-vitro N#Cc1ccccc1-c1cnco1 90568099 XWKIXYMHMGBOMI-UHFFFAOYSA-N 170.171 2.213 30 50 AEEA in-vitro C=C(C[Si](C)(C)C)C(=O)OCC 170154038 HSEYTIDQGJXPIF-UHFFFAOYSA-N 186.327 2.444 30 50 AEEA O=C(/C=C/c1ccco1)C1CC1 78179 XNXPLOIHJMEMSM-AATRIKPKSA-N 162.188 2.272 30 50 AEEA O=CCc1ccc(C(F)(F)F)cc1 34266317 JILROKHULOFASY-UHFFFAOYSA-N 188.148 2.447 30 50 AEEA in-vitro Cc1cc(C)c(C#N)c(=S)[nH]1 39678 CZRHEROEPICLRO-UHFFFAOYSA-N 164.233 2.233 30 50 AEEA in-vitro CN[C@H](C#N)c1cccc(Cl)c1 20173845 BONPJGBKCCVVSW-SECBINFHSA-N 180.638 2.124 30 50 AEEA C#CCCCC1(CCCC(=O)O)N=N1 238621764 JZGGFORFCRUNPG-UHFFFAOYSA-N 194.234 2.207 30 50 AEEA CC(=O)/C=C/c1ccc(F)cc1 159659 IXOKEPVAYTWJGM-NSCUHMNNSA-N 164.179 2.428 30 50 AEEA in-vitro c1ccc(/N=C2\NCCS2)cc1 13476046 NNRDYOXKIWFNPP-UHFFFAOYSA-N 178.260 2.011 30 50 AEEA in-vitro C[Si](C)(C)c1ccc(C#N)cc1 170018698 VLMZJZUVZAHCFT-UHFFFAOYSA-N 175.307 2.103 30 50 AEEA CN(C)/C=N/[C@@H]1CCc2ccccc21 2017023 WTSJSOXQVMVTBD-AUWXEVLLSA-N 188.274 2.264 30 50 AEEA SCCCCCCS 3860476 SRZXCOWFGPICGA-UHFFFAOYSA-N 150.312 2.406 30 50 AEEA endogenous,in-man CCC[C@H](O)C#Cc1ccccc1 12419253 HGUIQUVFOYTZNC-LBPRGKRZSA-N 174.243 2.199 30 50 AEEA C[C@@]1(CCc2ccccc2)O[C@@H]1C#N 306737480 ZAYHPCRYVFLOJF-NEPJUHHUSA-N 187.242 2.300 30 50 AEEA C=C[C@]1(O)C[C@H]2C[C@H]3CC[C@H]2[C@H]1C3 257355606 BRTCTGULXFKXIM-OOCWMUITSA-N 178.275 2.360 30 50 AEEA C=C[C@@H](CC(=O)OC)[Si](C)(C)C 169748312 DJXDHDYQDMVTPZ-QMMMGPOBSA-N 186.327 2.444 30 50 AEEA in-vitro N#Cc1ccc(N)c(Cl)c1Cl 38251529 XDJNPFJHLFODNI-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA C#CC(C)(C)Oc1ccc(C#N)cc1 161257 BJBUSSBIFHSXBR-UHFFFAOYSA-N 185.226 2.349 30 50 AEEA in-vitro C=CCCCC(C)(C)C(=O)O 2578820 MAJUYBYWDDTLMO-UHFFFAOYSA-N 156.225 2.454 30 50 AEEA C=CC[C@H]1C=CC(=O)CC1 36040032 NXCVYYZJFBZNPQ-QMMMGPOBSA-N 136.194 2.098 30 50 AEEA CC1(C=O)CCCCC1 36533511 FXZFFVCJWZTTMX-UHFFFAOYSA-N 126.199 2.156 30 50 AEEA in-vitro C#Cc1ccc(OCC)c(F)c1F 222435125 IQEXLJBXLIGKOV-UHFFFAOYSA-N 182.169 2.345 30 50 AEEA CCCC[C@H](C#N)SC1COC1 1875281993 IZWQWTFLGJSPMK-MRVPVSSYSA-N 185.292 2.201 30 50 AEEA C=C[C@H](O)C1CCCCC1 2169741 BRZYZVXYQQVYNT-VIFPVBQESA-N 140.226 2.114 30 50 AEEA in-vitro CC1=CC(C)(C)N=C2C=CC(=O)C=C12 22057639 JPOWOWQYHLDQDB-UHFFFAOYSA-N 187.242 2.231 30 50 AEEA in-vitro N#C[C@@]1(Cl)C[C@H]2C=C[C@H]1C2 100389330 UCYKNDOOVFKJKU-FXQIFTODSA-N 153.612 2.084 30 50 AEEA in-vitro CC[Si](C#CCCO)(CC)CC 195756142 WAVVVDUELKMQAZ-UHFFFAOYSA-N 184.355 2.420 30 50 AEEA C#CCn1c(C)c(C=O)c2ccccc21 562533 IXEINIMITYPXLQ-UHFFFAOYSA-N 197.237 2.395 30 50 AEEA in-vitro CC(=O)C1=Cc2ccc(F)cc2OC1 675082037 RFXHGNIAYYFJCK-UHFFFAOYSA-N 192.189 2.191 30 50 AEEA O=C1C=C2CCCC[C@H]2C1 1766562 VJESNDWIKWQBSV-QMMMGPOBSA-N 136.194 2.076 30 50 AEEA CC1(C)[C@@H]2CC[C@@]1(CS)[C@@H](O)C2 39350528 PYQMNINTTPIRIT-KHQFGBGNSA-N 186.320 2.103 30 50 AEEA C[Si](C)(C)C#Cc1ccccn1 169746909 WOFPTESETJKCBH-UHFFFAOYSA-N 175.307 2.311 30 50 AEEA in-vitro CC/C(Br)=N\C(C)=N 307603366 ZQZNGHHLFCNSGU-SNRNYVCESA-N 177.045 2.187 30 50 AEEA CCc1ccc([C@@]2(C)O[C@H]2C#N)cc1 306216773 LDWYYYIANBVMSA-NWDGAFQWSA-N 187.242 2.387 30 50 AEEA CCO/C=C(\C)C(=O)C(F)(F)Cl 206221665 HCYPXIQXDUPZCD-SNAWJCMRSA-N 198.596 2.327 30 50 AEEA CCCCCCCC[C@H](N)C(=O)O 1570981 JINGUCXQUOKWKH-VIFPVBQESA-N 187.283 2.149 30 50 AEEA CC1(C)CC[C@H](CC=O)C1 1535876210 LMKUNSQEUQUJRP-MRVPVSSYSA-N 140.226 2.402 30 50 AEEA CC(C)(C)c1csc(N)c1C#N 125940 HLCATPHPMNURNM-UHFFFAOYSA-N 180.276 2.499 30 50 AEEA in-vitro Cc1cnc(C#N)c(Br)c1 66322850 WGKYSFRFMQHMOF-UHFFFAOYSA-N 197.035 2.024 30 50 AEEA in-vitro C[C@@H]1CCc2c(sc(N)c2C#N)C1 143545 VDMBPDMXBJUYMB-ZCFIWIBFSA-N 192.287 2.327 30 50 AEEA in-vitro N#Cc1sc2ccccc2c1N 339113 UJPNEVVIUIZNTR-UHFFFAOYSA-N 174.228 2.355 30 50 AEEA in-vitro N#Cc1ccc2cc[nH]c2c1 2566051 SZSZDBFJCQKTRG-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA in-vitro N#CC1(c2ccco2)CCC1 71773221 HLTBBIDBEGYPHW-UHFFFAOYSA-N 147.177 2.225 30 50 AEEA COc1c(C)cccc1CC#N 213812251 JQMBCVRXFWSSSW-UHFFFAOYSA-N 161.204 2.070 30 50 AEEA CCc1cccc(C#N)c1 1556219 WEDBHNMGFLTQNC-UHFFFAOYSA-N 131.178 2.121 30 50 AEEA in-vitro CN(Cc1ccccc1)C(C)(C)C#N 44126078 NPTKLTQANDKGMO-UHFFFAOYSA-N 188.274 2.421 30 50 AEEA CC#Cc1ccc(C#CC)cc1 139026011 JQERGZDDUGLLIS-UHFFFAOYSA-N 154.212 2.429 30 50 AEEA CCOP(=O)(CCC#N)OCC 1676371 LDOZIDLMPNCNDI-UHFFFAOYSA-N 191.167 2.166 30 50 AEEA in-vitro C=CC[C@]1(C)C(=O)C=C[C@@H]1C 2173606 PKTWPJBPAQOWTD-WPRPVWTQSA-N 150.221 2.344 30 50 AEEA CC1(C)CCC/C(=N/O)C1 70684690 YJTYWSWRBZQVPA-CLFYSBASSA-N 141.214 2.417 30 50 AEEA Cc1n[nH]cc1-c1ccc(C#N)s1 259847991 ZCAATHZTEGIXFX-UHFFFAOYSA-N 189.243 2.318 30 50 AEEA Cc1cc(C#N)c2ccccc2n1 492381 BQAMFFZNQIMHJG-UHFFFAOYSA-N 168.199 2.415 30 50 AEEA in-vitro C=C[C@H](O)CCCCC 1562157 VSMOENVRRABVKN-QMMMGPOBSA-N 128.215 2.114 30 50 AEEA endogenous,in-man Cc1ccccc1[C@]1(C)O[C@@H]1C#N 306522430 LTRVWDZYOJCFNV-MNOVXSKESA-N 173.215 2.133 30 50 AEEA C=C[C@@H](C)NC(=O)c1cscc1C 307723384 UWFBQTFNMYDHIP-MRVPVSSYSA-N 195.287 2.361 30 50 AEEA C#CCCCCCCCCO 2564222 KOAOUMQUUZNRLL-UHFFFAOYSA-N 154.253 2.343 30 50 AEEA Fc1cc(F)cc(CS)c1 4244665 JXFKXTFQKJLIHC-UHFFFAOYSA-N 160.188 2.395 30 50 AEEA Cc1ccccc1C/N=C/N(C)C 96027245 JXTDONXVONRMSY-FMIVXFBMSA-N 176.263 2.085 30 50 AEEA CC1=C2CCC(=O)[C@@]2(C)CCC1=O 32099187 NERGSGSEJNCZBN-NSHDSACASA-N 178.231 2.035 30 50 AEEA CO[C@]12C[C@]3(C#N)[C@@H](c4ccccc41)[C@@H]23 257357830 QFZJFKGCPMXUPG-QNWHQSFQSA-N 197.237 2.169 30 50 AEEA C=CCOC(F)(F)C(F)F 1997107 DTDFWYZVBJYVPL-UHFFFAOYSA-N 158.094 2.047 30 50 AEEA C=CCNC(=O)c1ccc(Cl)cc1 2678355 HRELSTHYEFXOCT-UHFFFAOYSA-N 195.649 2.256 30 50 AEEA C(=N\N=C\c1ccco1)\c1ccco1 4582625 BLMWHISHMGJKFX-NTLHZVPKSA-N 188.186 2.326 30 50 AEEA CC(C)(C)NC1=CC(=O)CCC1 5284068 XKVYNTMJNQOFOK-UHFFFAOYSA-N 167.252 2.011 30 50 AEEA Cc1cccc(C)c1NCC#N 51753703 DGQXLXYAIMZQIC-UHFFFAOYSA-N 160.220 2.239 30 50 AEEA CCOc1ccc(CC#N)cc1 2565994 PQXBQWKKJUWNDI-UHFFFAOYSA-N 161.204 2.151 30 50 AEEA in-vitro N#Cc1cc(O)cc(Br)c1 79019735 CFHJXQLPUIYWNM-UHFFFAOYSA-N 198.019 2.026 30 50 AEEA in-vitro CC(C)[C@]1(c2ccccc2)O[C@H]1C#N 306791560 YCYZMMIATYJFOS-NWDGAFQWSA-N 187.242 2.460 30 50 AEEA C#Cc1ccc(Cl)c(C#N)c1 1857783368 ICDVOKVUJFBBEB-UHFFFAOYSA-N 161.591 2.193 30 50 AEEA N#Cc1c[nH]c2ccccc12 142407 CHIFTAQVXHNVRW-UHFFFAOYSA-N 142.161 2.040 30 50 AEEA CCCN(CCC)CCC#N 1691275 TXKWRPYUNDNNMI-UHFFFAOYSA-N 154.257 2.022 30 50 AEEA in-vitro CCCCCC[C@@H]1CO1 1866968 NJWSNNWLBMSXQR-MRVPVSSYSA-N 128.215 2.356 30 50 AEEA in-vitro C=CCc1c(F)cnc2[nH]ccc12 66054254 HEFTUUKTEVFJJF-UHFFFAOYSA-N 176.194 2.431 30 50 AEEA in-vitro N#CCc1cccc(Cl)c1 155172 GTIKLPYCSAMPNG-UHFFFAOYSA-N 151.596 2.406 30 50 AEEA in-vitro O=C(O)C#Cc1cccc2ccccc12 229765 AAFMEUUZRXLGAY-UHFFFAOYSA-N 196.205 2.276 30 50 AEEA in-vitro S[C@@H]1CCc2ccccc2C1 37460378 HWUAXZJWUTXYTF-SNVBAGLBSA-N 164.273 2.474 30 50 AEEA C[C@@H](CC=O)CCCC(C)(C)O 1635717 WPFVBOQKRVRMJB-SECBINFHSA-N 172.268 2.153 30 50 AEEA endogenous,in-man N#CC(=O)c1ccccc1Cl 100172506 YUCRNASRVPZKNQ-UHFFFAOYSA-N 165.579 2.046 30 50 AEEA in-vitro N#CCOc1ccccc1Cl 2146977 JWRJGSQLKHGQOT-UHFFFAOYSA-N 167.595 2.242 30 50 AEEA in-vitro CCCCCCNCCC#N 2528070 IBFRLHYBIOCBTE-UHFFFAOYSA-N 154.257 2.070 30 50 AEEA in-vitro CCCCCCOC(=O)CC#N 2019682 PWKKBTPSCGLYBR-UHFFFAOYSA-N 169.224 2.024 30 50 AEEA C#Cc1nccc2ccccc12 40448926 PTRWXSTUHSTRHM-UHFFFAOYSA-N 153.184 2.216 30 50 AEEA C=C(C)COc1cccnc1 157796289 BMZKDVTVQWOOIC-UHFFFAOYSA-N 149.193 2.037 30 50 AEEA CO[C@@H](C=O)C1CCC(F)(F)CC1 885590720 ZKPUPYFNVFVMKU-QMMMGPOBSA-N 192.205 2.026 30 50 AEEA C=C[C@@]1(C)CCCC2(C1)OCCO2 71786937 ZXNHGTQNUDTZTJ-JTQLQIEISA-N 182.263 2.496 30 50 AEEA N#CC[C@H]1CCc2ccccc2C1=O 4829675 PAANBDAGTCQLRZ-SNVBAGLBSA-N 185.226 2.345 30 50 AEEA Cc1nccn1-c1ccccc1C#N 12370670 NCQQCFZREDABTC-UHFFFAOYSA-N 183.214 2.052 30 50 AEEA CN(C)[C@@H](C#N)c1ccccc1Cl 19934358 DAOSLFYYPSHQRU-JTQLQIEISA-N 194.665 2.466 30 50 AEEA N#CCc1ccccc1OC(F)F 2560141 KAVMQGLPFAEOLH-UHFFFAOYSA-N 183.157 2.354 30 50 AEEA in-vitro N#Cc1ccc(C(F)F)cc1 34462325 UCOIWMARNIAWRV-UHFFFAOYSA-N 153.131 2.496 30 50 AEEA in-vitro N#CCc1ccc(C(F)(F)F)o1 214090361 WRGZEYMFUHGDSY-UHFFFAOYSA-N 175.109 2.364 30 50 AEEA C[C@@H](C#N)[C@@](C)(O)c1ccccc1 294692 JFCXWLWDDNDPIN-GXSJLCMTSA-N 175.231 2.054 30 50 AEEA Cc1ccc(C(=O)CC#N)s1 19432021 GNSZJJGFNAFOSN-UHFFFAOYSA-N 165.217 2.153 30 50 AEEA in-vitro N#Cc1c(Cl)ccc(Cl)c1N 39256170 KEGZPDPJUCCKFA-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA N#CC(=O)c1cccc(Cl)c1 100172464 LGRKVHGBNVCVHV-UHFFFAOYSA-N 165.579 2.046 30 50 AEEA in-vitro N#CCC(=O)Nc1ccccc1Cl 64802 QNLTWNKEBOCLPE-UHFFFAOYSA-N 194.621 2.192 30 50 AEEA in-vitro O=C1C=C2CCCC[C@@H]2C1 2032240 VJESNDWIKWQBSV-MRVPVSSYSA-N 136.194 2.076 30 50 AEEA C#CCNc1ccc(Cl)cc1 2471449 AKXROHITHHNQMM-UHFFFAOYSA-N 165.623 2.385 30 50 AEEA O/N=C(\c1ccccc1)C1CC1 20283402 RVNAYDOTXJROPF-ZHACJKMWSA-N 161.204 2.275 30 50 AEEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 100001886 JBNCRMFOHKBEFO-GZMMTYOYSA-N 180.247 2.454 30 50 AEEA biogenic,in-vitro C=C(CO)c1ccc(C)cc1 113510705 YVSGGVXZSCEMSB-UHFFFAOYSA-N 148.205 2.001 30 50 AEEA C#Cc1ccc(-n2ccnc2C)cc1 238499783 NZQZULPSQYKVDG-UHFFFAOYSA-N 182.226 2.162 30 50 AEEA CC#Cc1cncc(Br)c1 85221715 NHJSCWUFKMMXII-UHFFFAOYSA-N 196.047 2.216 30 50 AEEA in-vitro COCC1(CC#N)CCCC1 261330110 SWHUUCDBRREREK-UHFFFAOYSA-N 153.225 2.107 30 50 AEEA Cc1ccccc1C(=O)CC#N 2579799 DMTQMHCHBQZTOJ-UHFFFAOYSA-N 159.188 2.091 30 50 AEEA O=C1C=C(NCc2ccco2)CCC1 17996116 RNLWSMSZXYXHFX-UHFFFAOYSA-N 191.230 2.006 30 50 AEEA CCCC(C)(C)C#N 39279194 TZJQCUDHKUWEFU-UHFFFAOYSA-N 111.188 2.336 30 50 AEEA in-vitro N#CC1CCC(F)(F)CC1 71624705 IZGJQRIMRGAMTH-UHFFFAOYSA-N 145.152 2.335 30 50 AEEA C=CCN1C=CC=CC1=CN=O 1848677972 QCIBHTJSNLWOJP-UHFFFAOYSA-N 162.192 2.166 30 50 AEEA c1cnc2c(c1)[C@H]1O[C@@H]1c1cccnc1-2 40513 GGQHROHZSIPVQE-VXGBXAGGSA-N 196.209 2.270 30 50 AEEA C=CCOc1ccc(C(C)=O)cc1 1677319 BLAHXQHYMANQBP-UHFFFAOYSA-N 176.215 2.454 30 50 AEEA in-vitro C#Cc1c[nH]c2ccc([N+](=O)[O-])cc12 498051288 GIWIIEIJHWIFSM-UHFFFAOYSA-N 186.170 2.057 30 50 AEEA C=CCn1c(=O)sc2ccccc21 160659 CUAPJBQDSYKIPW-UHFFFAOYSA-N 191.255 2.249 30 50 AEEA CCCCCCC[C@H](O)CC(=O)O 2019244 FYSSBMZUBSBFJL-VIFPVBQESA-N 188.267 2.183 30 50 AEEA endogenous,in-man CCOc1cc(CC#N)ccc1OC 2528062 DULUKHADKMYILX-UHFFFAOYSA-N 191.230 2.160 30 50 AEEA in-vitro C[C@H]1CCc2sc(N)c(C#N)c2C1 4070045 JZZJGLHCFJZIIN-LURJTMIESA-N 192.287 2.327 30 50 AEEA CC(=O)C[C@H]1[C@@H](CC#N)C1(C)C 4262129 KRZTYSCUOUIFHR-BDAKNGLRSA-N 165.236 2.151 30 50 AEEA in-vitro Cn1ccc2cc(C#N)ccc21 12370265 DYZZFEHAJOLDEX-UHFFFAOYSA-N 156.188 2.050 30 50 AEEA in-vitro C#CCCOCc1ccccc1 34599131 QMSZFFOZKQBRIB-UHFFFAOYSA-N 160.216 2.227 30 50 AEEA CCO/C=N/c1oc(C)c(C)c1C#N 20515526 ZDRNLWUPWVFXPL-WUXMJOGZSA-N 192.218 2.464 30 50 AEEA O=[N+]([O-])c1ccc(CS)cc1 31539700 ACFHLWCEZHYYKX-UHFFFAOYSA-N 169.205 2.025 30 50 AEEA in-vitro CC1=C2[C@@H](CC[C@H]2C)CC1=O 43762265 UNELWENFERPRIO-SVRRBLITSA-N 150.221 2.322 30 50 AEEA N#CCCC[C@@H](N)c1ccccc1 238657519 GYGKWTPZFJWULK-LLVKDONJSA-N 174.247 2.380 30 50 AEEA in-vitro CC(=O)/C=C/c1cc(C)[nH]c1C 2519454 AMHOEZHHKQIXHO-SNAWJCMRSA-N 163.220 2.234 30 50 AEEA COc1cccc(C#N)c1Cl 4542771 QZCKPEQQNFBXHZ-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA N#C[C@H](c1ccco1)N1CCCCC1 19619935 BJKHFFTYEMSYMA-SNVBAGLBSA-N 190.246 2.330 30 50 AEEA CC1(C)[C@H]2C[C@@H]3O[C@@]3(C)[C@@H]1C2 100649478 NQFUSWIGRKFAHK-ODXREFDESA-N 152.237 2.210 30 50 AEEA C=C(C)Cn1nnc2ccccc21 393311 TWMGOLSYRXAUBL-UHFFFAOYSA-N 173.219 2.007 30 50 AEEA N#Cc1ccc(N)c(C(F)(F)F)c1 2564945 MWLZJOBGDXBMBP-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA in-vitro COc1cccc(NCCC#N)c1 3053527 SJJLNXJJMNKZKF-UHFFFAOYSA-N 176.219 2.021 30 50 AEEA in-vitro N#CC[C@H]1CC(c2ccccc2)=NO1 39331880 IKBLVDWTLBFPQO-JTQLQIEISA-N 186.214 2.093 30 50 AEEA COc1ccc2c(c1)C(=NO)CCC2 252660933 HRTUAOKEKZVEPG-UHFFFAOYSA-N 191.230 2.210 30 50 AEEA Cc1cccc(/C(N=[N+]=[N-])=N/O)c1 685939437 DLBUNGWDZVDJRM-FLIBITNWSA-N 176.179 2.441 30 50 AEEA ON=C(Cl)c1cccc(F)c1 254822585 CQEGJGFPGPNQNG-UHFFFAOYSA-N 173.574 2.200 30 50 AEEA C/N=C(/OC)[C@H]1C[C@H]1c1ccccc1 43761981 QJLJNPAUMZDPDX-UWDXDTEWSA-N 189.258 2.465 30 50 AEEA CC(=O)/C([N+]#N)=C(/O)c1ccccc1 136261172 CYYVRGUWUAFEDN-UHFFFAOYSA-O 189.194 2.355 30 50 AEEA CC1=C(C)[C@H](C)[C@H](C)C1=O 2003172 ARUAYSANQMCCEN-FSPLSTOPSA-N 138.210 2.178 30 50 AEEA in-vitro Cc1ccc(C#N)c(C)c1 2146833 QLZDTHTXOUOSCV-UHFFFAOYSA-N 131.178 2.175 30 50 AEEA in-vitro N#Cc1ccc2occc2c1 2548356 SXFQAFFSEZRQCJ-UHFFFAOYSA-N 143.145 2.304 30 50 AEEA in-vitro CCOC(=O)C1(C#N)CCCCC1 34596732 ZCBMUZAFIHZTSW-UHFFFAOYSA-N 181.235 2.024 30 50 AEEA N#Cc1ccc(-n2cccc2)cc1 132347 OKVSZRKKRHNDOL-UHFFFAOYSA-N 168.199 2.349 30 50 AEEA in-vitro CCCCCCCC[C@H](O)C(=O)O 1680405 GHPVDCPCKSNJDR-VIFPVBQESA-N 188.267 2.183 30 50 AEEA in-vitro C#Cc1ccc(OCC)cc1 2555802 FRGNOZUOTHMJSC-UHFFFAOYSA-N 146.189 2.067 30 50 AEEA in-vitro Cc1ccc(OCCC#N)cc1 2566836 ZELCPEBYDWJHDX-UHFFFAOYSA-N 161.204 2.288 30 50 AEEA Cc1cc(C(F)(F)F)cc(C#N)n1 118667820 NMQHIYGBFIXLBF-UHFFFAOYSA-N 186.136 2.281 30 50 AEEA C=C/C(O)=N/[C@H]1CC(C)(C)OC1(C)C 328594258 KKVUDKYCFPFXDZ-QMMMGPOBSA-N 197.278 2.475 30 50 AEEA Cc1ccc([C@]2(C)O[C@H]2C#N)c(C)c1 306159119 AOBXRJSNVUSRFO-RYUDHWBXSA-N 187.242 2.441 30 50 AEEA CCC(=O)/C=C/c1ccccc1O 1736027 XBLWZVSUHRIEPQ-BQYQJAHWSA-N 176.215 2.385 30 50 AEEA C=C(C)COc1cccc(C(=O)O)c1 10507719 DGQJTZUEILCDKI-UHFFFAOYSA-N 192.214 2.340 30 50 AEEA in-vitro COc1cc(Cl)cc(C#N)c1 40448118 BCJBKZKDIVECQW-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro O=C(/C=C/c1ccc[nH]1)c1ccc[nH]1 5426320 UQWDVROIDANPPO-AATRIKPKSA-N 186.214 2.239 30 50 AEEA COc1c(CC#N)ccc(F)c1F 214320313 VRURJYGZVHDYON-UHFFFAOYSA-N 183.157 2.039 30 50 AEEA C=CCSc1ccc(C#N)cn1 95099998 HOIDVAVZWXKMSK-UHFFFAOYSA-N 176.244 2.231 30 50 AEEA N#C[C@]1(c2ncccc2F)C[C@H](F)C1 498050920 PYQZBJMJOBGAKX-GVJMRKKJSA-N 194.184 2.114 30 50 AEEA Cc1c(Cl)cn2ccnc2c1C#N 602993627 BHCBWEQPOKAJMS-UHFFFAOYSA-N 191.621 2.168 30 50 AEEA CC(C)(C)/N=C1\CCCC\C1=[N+](\[O-])O 31771809 SKIDIBDEHJDJGS-DHZHZOJOSA-N 198.266 2.140 30 50 AEEA CC(C)(C=O)COC1CCCC1 238126313 UHUNHBHNRSNMIQ-UHFFFAOYSA-N 170.252 2.171 30 50 AEEA CCCC[C@H](C=O)CC 2012984 LGYNIFWIKSEESD-MRVPVSSYSA-N 128.215 2.402 30 50 AEEA in-vitro CC(C)(C)CCC#N 39259714 VXVUDUCBEZFQGY-UHFFFAOYSA-N 111.188 2.336 30 50 AEEA in-vitro [N-]=[N+]=N/C(=N/O)c1ccccc1 218853403 YCMRJQCZSPZHHT-JXMROGBWSA-N 162.152 2.133 30 50 AEEA C[C@@]1(c2cc(F)ccc2F)O[C@H]1C#N 306476072 YMKJOIQBGAKZHM-UWVGGRQHSA-N 195.168 2.102 30 50 AEEA CC(C)(C#N)[C@H](O)c1ccccc1 294802 KRKKSXYOZJKIQS-SNVBAGLBSA-N 175.231 2.270 30 50 AEEA N#CCCOCc1ccccc1 1676321 IOFHIWGGQITXMV-UHFFFAOYSA-N 161.204 2.117 30 50 AEEA in-vitro O=CC1(CC2CC2)CCC1 115870774 NCQNLBQFBIPXJW-UHFFFAOYSA-N 138.210 2.156 30 50 AEEA N#Cc1cccc2cc(F)cnc12 953069620 NQIUYNARBCXFNN-UHFFFAOYSA-N 172.162 2.246 30 50 AEEA Cc1ccccc1NCCC#N 1736747 HKGRRDVXZWWWRN-UHFFFAOYSA-N 160.220 2.321 30 50 AEEA in-vitro COc1cc(C)c(C#N)cc1C 394691 ZYHLPXFNLCESEI-UHFFFAOYSA-N 161.204 2.184 30 50 AEEA in-vitro Fc1ccccc1CS 405148 UMJTYEUXQGJEIZ-UHFFFAOYSA-N 142.198 2.256 30 50 AEEA CC1=C[C@H](C)[C@@H](C)[C@H](C=O)C1 4582602 DEMWVPUIZCCHPT-AEJSXWLSSA-N 152.237 2.424 30 50 AEEA N#Cc1cc(Cl)cc(C=O)c1 95080246 WZUIHJLIAGZINI-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro O/N=C/c1ccc(Cl)cc1F 2512514 XLNHUSXTEMVHPB-ONNFQVAWSA-N 173.574 2.287 30 50 AEEA CN(CCCC#N)C(=O)OC(C)(C)C 238338169 GSLUENRBHZHLRR-UHFFFAOYSA-N 198.266 2.157 30 50 AEEA Cc1ccc([C@@]2(C)O[C@@H]2C#N)c(C)c1 306159127 AOBXRJSNVUSRFO-VXGBXAGGSA-N 187.242 2.441 30 50 AEEA CC(C)=CC(=O)C1CCC(=O)CC1 1481004 IZQUXSISWBHRBK-UHFFFAOYSA-N 180.247 2.281 30 50 AEEA C=CCCCC 1699506 LIKMAJRDDDTEIG-UHFFFAOYSA-N 84.162 2.363 30 50 AEEA biogenic,in-vitro N#Cc1cccc(N2CCCC2)c1 4272201 UMJBSSQWHKPDJF-UHFFFAOYSA-N 172.231 2.158 30 50 AEEA in-vitro Cc1cc(Cl)c([N+](=O)[O-])cc1C#N 39149039 LXKOLWLJMJBJPY-UHFFFAOYSA-N 196.593 2.428 30 50 AEEA C=CCOc1ncccc1Cl 95495948 GJNBHZJOSBLUBQ-UHFFFAOYSA-N 169.611 2.300 30 50 AEEA [C-]#[N+]c1ccccc1C#N 100000325 HTMWQSKIYNDFNU-UHFFFAOYSA-N 128.134 2.109 30 50 AEEA in-vitro C=CCN(C)CC#Cc1ccccc1 196485470 CRNWWBHBLYPYJJ-UHFFFAOYSA-N 185.270 2.156 30 50 AEEA N#Cc1sccc1-c1cc[nH]n1 725272306 BHQWSILAVYQODY-UHFFFAOYSA-N 175.216 2.010 30 50 AEEA Cc1ccc(C)c([C@@]2(C)O[C@H]2C#N)c1 306331825 PZPJROLLTULFTG-NWDGAFQWSA-N 187.242 2.441 30 50 AEEA CCCCCCCCNC(=O)CC#N 3131482 LJXZSEPGWGOYCP-UHFFFAOYSA-N 196.294 2.377 30 50 AEEA Cc1ccc(C(Cl)=NO)cc1 252584790 CWLYVEMDVAPUMV-UHFFFAOYSA-N 169.611 2.370 30 50 AEEA Cc1cc(CC#N)cc(F)c1F 257950102 FNPTWHFTHMKTRJ-UHFFFAOYSA-N 167.158 2.339 30 50 AEEA COc1ccc(C#N)c(Cl)c1 2530964 YLKLNODUMSCTIV-UHFFFAOYSA-N 167.595 2.220 30 50 AEEA in-vitro CCCC[C@@H](C)OCC#N 3130516 JHFMANBKIDXPEM-MRVPVSSYSA-N 141.214 2.105 30 50 AEEA N#Cc1cc(Br)cs1 14988315 DJYVXBJLHPKUKS-UHFFFAOYSA-N 188.049 2.382 30 50 AEEA in-vitro CC(C)N[C@@H](C#N)c1ccccc1 19986692 MFLCKIALFSSKDT-NSHDSACASA-N 174.247 2.249 30 50 AEEA C=C(C)CNC1CCCCC1 41582088 QCLTYLZFKMVHDO-UHFFFAOYSA-N 153.269 2.485 30 50 AEEA Cc1ccc(S)cc1C#N 238471170 OOGRCFHBEHMXTA-UHFFFAOYSA-N 149.218 2.155 30 50 AEEA CC(=O)/C=C/c1cc(C(C)=O)c(C)o1 263623536 IHCAOTLWTQBZPI-SNAWJCMRSA-N 192.214 2.393 30 50 AEEA CCn1c(C)nc2cc(C#N)ccc21 126185 CRSLXELXHYBDGN-UHFFFAOYSA-N 185.230 2.236 30 50 AEEA in-vitro SCCCCCS 3861696 KMTUBAIXCBHPIZ-UHFFFAOYSA-N 136.285 2.016 30 50 AEEA in-vitro Cc1cc(C#N)cc(Cl)c1O 44682179 LCZDCHYPSLUZID-UHFFFAOYSA-N 167.595 2.226 30 50 AEEA in-vitro NN=Cc1c(Cl)cccc1Cl 257350945 BDYTWFKXYPSYJZ-UHFFFAOYSA-N 189.045 2.286 30 50 AEEA CSc1ccc([N+](=O)[O-])cc1C#N 15021077 OVIOZRLNTSCJFD-UHFFFAOYSA-N 194.215 2.188 30 50 AEEA in-vitro C=C1C[C@H]1[C@@H](O)c1ccccc1 6022039 AUHOYCNONPXIAR-MNOVXSKESA-N 160.216 2.296 30 50 AEEA CC(C)c1csc(N)c1C#N 33501109 XZOSPVPFYDLNQL-UHFFFAOYSA-N 166.249 2.325 30 50 AEEA Cc1cc(C[C@H]2CO2)ccc1F 148368762 GODATNLOVBIVNU-VIFPVBQESA-N 166.195 2.075 30 50 AEEA C[C@H](C#N)CB1OC(C)(C)C(C)(C)O1 2325903875 NIVWAYRVRMROOI-QMMMGPOBSA-N 195.071 2.238 30 50 AEEA C[Si](C)(C)C#Cc1ccc(F)nc1 169804581 UZHWVJXVCDRPBW-UHFFFAOYSA-N 193.297 2.450 30 50 AEEA C=C(C)COc1ccccc1CO 19094182 HFMKOOQASWJEIH-UHFFFAOYSA-N 178.231 2.134 30 50 AEEA in-vitro C=CCOc1ccccc1[N+](=O)[O-] 96032444 RQSNCJJYXMNGJM-UHFFFAOYSA-N 179.175 2.160 30 50 AEEA O=C1C=C[C@H](C[C@H]2CCCO2)CC1 104297536 DVZNFILJZIOYPQ-GXSJLCMTSA-N 180.247 2.091 30 50 AEEA N#CCc1c(F)ccc(F)c1F 4290230 PQIFHBOOYBTJLD-UHFFFAOYSA-N 171.121 2.170 30 50 AEEA in-vitro Cc1cc(C)n(-c2cccc(C#N)c2)n1 35779306 ICXAKIVZXFOJTJ-UHFFFAOYSA-N 197.241 2.361 30 50 AEEA Cc1ccc(C)c([C@@]2(C)O[C@@H]2C#N)c1 306331830 PZPJROLLTULFTG-VXGBXAGGSA-N 187.242 2.441 30 50 AEEA Cc1ccc([C@]2(C)O[C@@H]2C#N)cc1 307008881 HSOGGEOVXIIWBW-MNOVXSKESA-N 173.215 2.133 30 50 AEEA C[C@]1(c2ccc(Cl)cc2)O[C@H]1C#N 307394141 MWMTUAAXTBPABT-VHSXEESVSA-N 193.633 2.478 30 50 AEEA CCCCCCCC#CCO 2390308 GFLHGTKUCYPXHB-UHFFFAOYSA-N 154.253 2.343 30 50 AEEA in-vitro C#Cc1ccc(Br)cc1 2534482 LTLVZQZDXQWLHU-UHFFFAOYSA-N 181.032 2.430 30 50 AEEA in-vitro C=CCOc1ccccc1C=O 1599402 BXCJDECTRRMSCV-UHFFFAOYSA-N 162.188 2.064 30 50 AEEA in-vitro C=CCNC(=O)Nc1ccc(F)cc1 2147205 YZKXHAUJBSDAIN-UHFFFAOYSA-N 194.209 2.133 30 50 AEEA N#Cc1ccc(C2CCNCC2)cc1 2580934 WIAZPDPJRACUDP-UHFFFAOYSA-N 186.258 2.025 30 50 AEEA in-vitro C=C(Br)C(F)(F)F 1707249 QKBKGNDTLQFSEU-UHFFFAOYSA-N 174.947 2.457 30 50 AEEA in-vitro C#CCSc1ccccc1C(=O)O 2472164 QCLWCSQPKMQSOU-UHFFFAOYSA-N 192.239 2.110 30 50 AEEA C=C(C)COc1cccc(C=O)c1 4992745 HKEUNLNJRSTCMJ-UHFFFAOYSA-N 176.215 2.454 30 50 AEEA in-vitro CCCC/C(C)=N/O 100138939 WHXCGIRATPOBAY-VOTSOKGWSA-N 115.176 2.027 30 50 AEEA O/N=C/c1c(F)cccc1Cl 4712495 OBJHLLOVMKKXDI-ONNFQVAWSA-N 173.574 2.287 30 50 AEEA in-vitro CC(=N)/C(C#N)=N/Nc1ccccc1 18153789 ODNJSVMUVGXTFY-CGVOGLKSSA-N 186.218 2.018 30 50 AEEA C/C(=N\CCN(C)C)c1ccccc1 196311288 FEDBJQZENFBFEG-ACCUITESSA-N 190.290 2.057 30 50 AEEA O=CCCC1CCCC1 19089807 UWAOHFMOWBQIJH-UHFFFAOYSA-N 126.199 2.156 30 50 AEEA in-vitro N#Cc1ccc(NC2CCCC2)cn1 131879727 RIGGHNWCCPOGFJ-UHFFFAOYSA-N 187.246 2.308 30 50 AEEA COc1ccc(C[C@@H](C)C=O)cc1 5751564 VLFBSPUPYFTTNF-SECBINFHSA-N 178.231 2.073 30 50 AEEA CCCCCCCCNCCCN 100650317 KPZNJYFFUWANHA-UHFFFAOYSA-N 186.343 2.285 30 50 AEEA in-vitro CCCN(CCC)CCCC#N 1635578 FLJPZKPNJVGMHO-UHFFFAOYSA-N 168.284 2.412 30 50 AEEA in-vitro CCCC#CI 2522743 UWPKZGBPLFRGAH-UHFFFAOYSA-N 194.015 2.182 30 50 AEEA in-vitro N#CCc1c(F)cc(F)cc1F 4290232 IHCQMVSMIRAMBR-UHFFFAOYSA-N 171.121 2.170 30 50 AEEA in-vitro CC#CCC/C=C(/C)CCO 4533292 CJQSJEPZYPNFSG-YFHOEESVSA-N 152.237 2.119 30 50 AEEA C=CCNC(=O)Nc1ccccc1C 2165858 KFBUTWSDYTUZDQ-UHFFFAOYSA-N 190.246 2.303 30 50 AEEA C=C1CCC[C@@H](C)[C@H]1CCO 3070128 ZINDPOBVQRKRCZ-ZJUUUORDSA-N 154.253 2.361 30 50 AEEA N#Cc1cnc2cccc(F)c2c1 220627435 DTQWDTSZXDLYRX-UHFFFAOYSA-N 172.162 2.246 30 50 AEEA COc1ccc2c(c1)CCCC2=NO 252370110 QEPLWBMPKVIAOH-UHFFFAOYSA-N 191.230 2.210 30 50 AEEA C=C(C)C(=O)Nc1ccccc1 1387653 IJSVVICYGLOZHA-UHFFFAOYSA-N 161.204 2.201 30 50 AEEA in-vitro CCCCc1cc(C#N)ccc1N 642886368 IURNQDIUSSHSFH-UHFFFAOYSA-N 174.247 2.483 30 50 AEEA CN(C)/C=N/[C@@H]1C[C@H]1c1ccccc1 2017012 IUCJBKQMJIEQGY-PBZFIDODSA-N 188.274 2.132 30 50 AEEA N#CCc1coc(-c2ccccc2)n1 12505551 NLLYDPLGYXCDPO-UHFFFAOYSA-N 184.198 2.408 30 50 AEEA Cc1ccc(/C=N/O)c(C)c1 100102081 ZXOXSHIAPHLSAV-UXBLZVDNSA-N 149.193 2.112 30 50 AEEA in-vitro CC[C@]1(c2ccccc2)O[C@@H]1C#N 306391218 FLKSNPFRAYEFPT-GHMZBOCLSA-N 173.215 2.214 30 50 AEEA N=C1C=CC(=Nc2ccc(N)cc2)C=C1 4774782 DAXPSYSIIHBWMK-UHFFFAOYSA-N 197.241 2.487 30 50 AEEA O=C1CCCCCC/C1=C\O 100465067 IBKOLUJZWZCTHN-BQYQJAHWSA-N 154.209 2.352 30 50 AEEA CC(C)(C#N)OC(=O)c1ccccc1 71614246 LSQXSRBCTVHENP-UHFFFAOYSA-N 189.214 2.146 30 50 AEEA C=C[C@]1(O)C[C@H]2CCC[C@H]1C2 101082187 OOVMXTBRAJIBJE-GUBZILKMSA-N 152.237 2.114 30 50 AEEA C#CC(O)(CC(C)C)CC(C)C 2390338 CSNWKQHTZXPWJS-UHFFFAOYSA-N 168.280 2.443 30 50 AEEA Cc1cc2ccccc2nc1C#N 13213036 VOAMRGQXHVSGNM-UHFFFAOYSA-N 168.199 2.415 30 50 AEEA in-vitro N#C[C@H]1CCCC[C@@]12OCCS2 44125677 JQHYQNMGUYCGNM-BDAKNGLRSA-N 183.276 2.160 30 50 AEEA C#Cc1cc(OC)ccc1Cl 62605434 NUKFFXPYKZNSMT-UHFFFAOYSA-N 166.607 2.330 30 50 AEEA in-vitro N#Cc1nccc(C(F)(F)F)c1F 169726007 IZMADNWTONBKAX-UHFFFAOYSA-N 190.099 2.111 30 50 AEEA ON=C(c1ccccc1)c1ccncc1 254814695 SNRZFINAACEZKZ-UHFFFAOYSA-N 198.225 2.308 30 50 AEEA N#Cc1csc2c1CCCC2 4783736 FYOOHGLNAJIWQU-UHFFFAOYSA-N 163.245 2.499 30 50 AEEA in-vitro C[C@@H]1CC(C)(C)C[C@@]2(C1)O[C@H]2C#N 307339064 VXZGWSIOSUDLAI-WCABBAIRSA-N 179.263 2.494 30 50 AEEA C=CCNC(=O)OCc1ccccc1 2381223 OSLGKRDOEMLAJV-UHFFFAOYSA-N 191.230 2.099 30 50 AEEA in-vitro COC(C)(C)CCC[C@H](C)C=O 2509718 QMXBURPYNWBMJR-VIFPVBQESA-N 172.268 2.417 30 50 AEEA C=C[C@H](O)C1=CCCC1(C)C 45071577 IFHJYZGOTFLYLT-VIFPVBQESA-N 152.237 2.280 30 50 AEEA CC[C@@]12CC[C@@H](CC1=NO)C2 383597692 YXEQWKJXIHHUHR-CBAPKCEASA-N 153.225 2.417 30 50 AEEA CC#CCN(CCC)CCC 1666136 VUMNMLUJBJUQKY-UHFFFAOYSA-N 153.269 2.132 30 50 AEEA CC(C)Oc1cccc(C#N)c1 19438221 OYUCWSBVVRRERP-UHFFFAOYSA-N 161.204 2.345 30 50 AEEA in-vitro CC(C)[C@@]1(c2ccccc2)O[C@@H]1C#N 306791559 YCYZMMIATYJFOS-NEPJUHHUSA-N 187.242 2.460 30 50 AEEA CC1(C)OB(C=C2CC2)OC1(C)C 307103119 DDCSBDUMOFSIDC-UHFFFAOYSA-N 180.056 2.338 30 50 AEEA C=CCn1c(C=O)nc2ccccc21 572716 OHNUVSLWAQTFNH-UHFFFAOYSA-N 186.214 2.035 30 50 AEEA in-vitro C1CCC[C@H]2O[C@@H]2CC1 1689844 MELPJGOMEMRMPL-HTQZYQBOSA-N 126.199 2.108 30 50 AEEA in-vitro C=C1C[C@@H]1[C@@H](O)c1ccccc1 6022032 AUHOYCNONPXIAR-QWRGUYRKSA-N 160.216 2.296 30 50 AEEA Clc1ncccc1/N=C1\CCCN1 96027896 KAKXDGACJXEXOQ-UHFFFAOYSA-N 195.653 2.148 30 50 AEEA N#Cc1cc2cc(C=O)ccc2o1 141880904 WSXIBCRETBRQRW-UHFFFAOYSA-N 171.155 2.117 30 50 AEEA N#Cc1cc([N+](=O)[O-])ccc1Cl 164503 ZGILLTVEEBNDOB-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro C=C(C)CC/C=C\C(=O)OC 221890789 AQZHDHLQQDBSGJ-ALCCZGGFSA-N 154.209 2.072 30 50 AEEA CCCCCCCC(=O)N(C)OC 1623565 OTGRGVVHWBMTMY-UHFFFAOYSA-N 187.283 2.367 30 50 AEEA in-vitro CC(=O)C[C@@H]1[C@@H](CC#N)C1(C)C 2512274 KRZTYSCUOUIFHR-RKDXNWHRSA-N 165.236 2.151 30 50 AEEA in-vitro CC(C)=CC(=O)CCN1CCCCC1 3211222 ZKCXLZNBCBLCRS-UHFFFAOYSA-N 195.306 2.398 30 50 AEEA C=CCc1cccc2c1OCCO2 196357386 DNUYRRMFNLTYIY-UHFFFAOYSA-N 176.215 2.186 30 50 AEEA C#C[C@H]1CCCN1C(=O)OC(C)(C)C 34353349 MKFYNQAKTJFISL-VIFPVBQESA-N 195.262 2.019 30 50 AEEA in-vitro C[C@@H]1CCCC/C1=N/O 100094775 MDIFHVYPHRHKLB-VALLEEFXSA-N 127.187 2.027 30 50 AEEA CC1(C)CC(C)(C=O)C1 219422568 YFODHJMWYQDSQI-UHFFFAOYSA-N 126.199 2.012 30 50 AEEA CC(C)CCNc1ccc(C#N)nc1 131878228 KCHYDXZJIBEOTL-UHFFFAOYSA-N 189.262 2.411 30 50 AEEA C[C@@H]1CCCC/C1=N\O 14591024 MDIFHVYPHRHKLB-UCTBAKFRSA-N 127.187 2.027 30 50 AEEA CSc1cc(F)ccc1C#N 138289327 QZJDWDYPVSMWHX-UHFFFAOYSA-N 167.208 2.419 30 50 AEEA Cc1ccc(S[C@@H](C)C#N)nc1 307071482 XCQCFODIFYERDA-QMMMGPOBSA-N 178.260 2.394 30 50 AEEA N#CCc1cc(F)c(F)cc1F 4290231 JTYBTJVFXUKNKW-UHFFFAOYSA-N 171.121 2.170 30 50 AEEA in-vitro Cc1ccccc1C#CC(C)(C)O 44831383 ZVFBFIMYVLBIHJ-UHFFFAOYSA-N 174.243 2.117 30 50 AEEA in-vitro CCCOc1ccc(C#N)cc1 1563995 VYOPNUZYNSNYRA-UHFFFAOYSA-N 161.204 2.347 30 50 AEEA in-vitro N#CCCCOc1ccccc1 1577048 ZOLWCAUQCGRDGA-UHFFFAOYSA-N 161.204 2.369 30 50 AEEA CC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1595030 OPKJBIYOZSELCA-AATRIKPKSA-N 191.186 2.197 30 50 AEEA in-vitro C=CCNCc1ccc(F)cc1 6855873 PEGGUJZMVWZOLD-UHFFFAOYSA-N 165.211 2.101 30 50 AEEA C=CCN1CCc2cc(C=O)ccc21 4384357 KFCXYDJWJRLZDM-UHFFFAOYSA-N 187.242 2.048 30 50 AEEA CC(C)CCON=Cc1cccnc1 254700515 CNGQUYBZXYJBMD-UHFFFAOYSA-N 192.262 2.478 30 50 AEEA C[C@H]1CCc2c(sc(N)c2C#N)C1 143543 VDMBPDMXBJUYMB-LURJTMIESA-N 192.287 2.327 30 50 AEEA in-vitro N#Cc1c(N)ccc(Cl)c1Cl 2568763 RYMBKSPMCKFIGN-UHFFFAOYSA-N 187.029 2.447 30 50 AEEA in-vitro Cc1cc(C)c2c(c1C)OC/C2=N/O 100164624 AKCXJGFUOJUFSY-XFXZXTDPSA-N 191.230 2.183 30 50 AEEA C/N=C1C(=N\O)\C=C[C@H]2CCCC[C@H]\12 12362821 RUSBENYTOVBCRA-JRPBXXDLSA-N 192.262 2.264 30 50 AEEA N#Cc1cc(F)c(F)c(Cl)c1 34112090 YJCJTNTXRXNHER-UHFFFAOYSA-N 173.549 2.490 30 50 AEEA CC1=C[C@H](C)[C@H](C)[C@@H](C=O)C1 100937023 DEMWVPUIZCCHPT-LPEHRKFASA-N 152.237 2.424 30 50 AEEA Cc1ccc([C@]2(C)O[C@H]2C#N)cc1 307008884 HSOGGEOVXIIWBW-QWRGUYRKSA-N 173.215 2.133 30 50 AEEA C=C[C@@H]1O[C@@H](C)CC(C)(C)O1 4582798 XLVQNXPLYGVRKU-JGVFFNPUSA-N 156.225 2.103 30 50 AEEA in-vitro CC(=O)n1ccc2ccc(C#N)cc21 19737379 NBLADPUTDHKBTD-UHFFFAOYSA-N 184.198 2.173 30 50 AEEA in-vitro C=CCCC(=O)CCC=C 38220185 YMNUETQQDKREEP-UHFFFAOYSA-N 138.210 2.488 30 50 AEEA O=C1C=C[C@@H](C[C@@H]2CCCO2)CC1 104297547 DVZNFILJZIOYPQ-KOLCDFICSA-N 180.247 2.091 30 50 AEEA C=C1CCCC1 2004066 NFJPEKRRHIYYES-UHFFFAOYSA-N 82.146 2.117 30 50 AEEA biogenic,in-vitro N#Cc1cccc(Cl)c1C=O 75629629 XUBCIKLKCYMPBA-UHFFFAOYSA-N 165.579 2.024 30 50 AEEA in-vitro CC(C)(C#N)N=NC(C)(C)C#N 252394530 OZAIFHULBGXAKX-UHFFFAOYSA-N 164.212 2.043 30 50 AEEA CO[C@]12C[C@]3(C#N)[C@H](c4ccccc41)[C@@H]23 257357828 QFZJFKGCPMXUPG-FVCCEPFGSA-N 197.237 2.169 30 50 AEEA C[C@@]1(C=O)CCCC(F)(F)C1 1857779423 QFWIXFRATZUAKM-SSDOTTSWSA-N 162.179 2.401 30 50 AEEA CCC[C@H](C)[C@H](C#N)C(=O)OCC 1678953 FIJVOSSCAUGKQY-IUCAKERBSA-N 183.251 2.125 30 50 AEEA CSc1cccc(F)c1C#N 75555128 SRKIJSXUFKQFPE-UHFFFAOYSA-N 167.208 2.419 30 50 AEEA in-vitro C=C[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 43199000 NRUGITPHPNNOBW-QWRGUYRKSA-N 180.247 2.294 30 50 AEEA C[C@@H](C#N)[C@](C)(O)c1ccccc1 2835902 JFCXWLWDDNDPIN-ONGXEEELSA-N 175.231 2.054 30 50 AEEA C#Cc1cccc2cccnc12 58626273 PBKFDEMENCIDDQ-UHFFFAOYSA-N 153.184 2.216 30 50 AEEA CC[C@@H](C)Nc1ccc(C#N)nc1 131875998 IEOQNVMIKNAPTN-MRVPVSSYSA-N 175.235 2.164 30 50 AEEA C=C/C(O)=N/[C@@H]1CC(C)(C)OC1(C)C 328594257 KKVUDKYCFPFXDZ-MRVPVSSYSA-N 197.278 2.475 30 50 AEEA C=C(C)c1noc(C2CCC2)n1 725273698 VWCKDLQDISLFJZ-UHFFFAOYSA-N 164.208 2.370 30 50 AEEA CCC[C@H](C)[C@@H](C#N)C(=O)OCC 1678951 FIJVOSSCAUGKQY-DTWKUNHWSA-N 183.251 2.125 30 50 AEEA C=CCN(C)Cc1ccccc1 3080598 DZRKBPWATCKLKY-UHFFFAOYSA-N 161.248 2.304 30 50 AEEA CC(C)Oc1ccc(F)cc1C#N 58824997 DBGKNXAEJDEUPX-UHFFFAOYSA-N 179.194 2.485 30 50 AEEA C[C@@]1(c2ccc(F)cc2F)O[C@@H]1C#N 306278341 GLTUNHBWQWGQGC-ZJUUUORDSA-N 195.168 2.102 30 50 AEEA C[C@]1(CCc2ccccc2)O[C@H]1C#N 306737482 ZAYHPCRYVFLOJF-NWDGAFQWSA-N 187.242 2.300 30 50 AEEA N#Cc1cc2ccccc2o1 122171 ZQGAXHXHVKVERC-UHFFFAOYSA-N 143.145 2.304 30 50 AEEA N#Cc1ccc(F)c(Cl)c1 152696 VAHXXQJJZKBZDX-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA in-vitro N#Cc1ccc(Br)s1 2541509 YVVHCBNJWHPMCQ-UHFFFAOYSA-N 188.049 2.382 30 50 AEEA in-vitro CC[Si](C#CCO)(CC)CC 169864378 HGRKPTSZUGTGIT-UHFFFAOYSA-N 170.328 2.030 30 50 AEEA C=C[C@H]1O[C@@H](C)CC(C)(C)O1 410302 XLVQNXPLYGVRKU-YUMQZZPRSA-N 156.225 2.103 30 50 AEEA in-vitro C=C(CC)CC 1699505 RYKZRKKEYSRDNF-UHFFFAOYSA-N 84.162 2.363 30 50 AEEA Cc1ccc(C#N)c(F)c1 2243215 WCGNLBCJPBKXCN-UHFFFAOYSA-N 135.141 2.006 30 50 AEEA in-vitro Cc1ccnc(-c2ccccc2C#N)n1 32561716 MKVGDFCJUKPKMH-UHFFFAOYSA-N 195.225 2.324 30 50 AEEA CC1(C)/C(=N\N)[C@]2(C)CC[C@H]1C2 102319058 PAIGSTUXPRTCJO-QOKOICMUSA-N 166.268 2.147 30 50 AEEA Cc1c(Cl)ccc([N+](=O)[O-])c1C#N 140326450 IMRNPVPCQHLOAI-UHFFFAOYSA-N 196.593 2.428 30 50 AEEA Cc1cc2ncn(CC#N)c2cc1C 11737080 BPRBGPQPKWEUAR-UHFFFAOYSA-N 185.230 2.177 30 50 AEEA in-vitro CCCCCCCCON 97973101 CWSPDCWDVKKCMI-UHFFFAOYSA-N 145.246 2.237 30 50 AEEA N#CC1(c2ccccc2)CCOCC1 394075 JQZWMLYXWOBPCV-UHFFFAOYSA-N 187.242 2.258 30 50 AEEA in-vitro Cc1cccc(C)c1OCC#N 11834364 MFUWFCZVQNSMEP-UHFFFAOYSA-N 161.204 2.206 30 50 AEEA OCCCCCCCCS 44018879 XJTWZETUWHTBTG-UHFFFAOYSA-N 162.298 2.249 30 50 AEEA C#Cc1ccccc1Br 2387139 RVDOYUFNRDGYGU-UHFFFAOYSA-N 181.032 2.430 30 50 AEEA in-vitro CCCc1sc(N)c(C#N)c1C 12404804 DCFNHHDMQLXUGX-UHFFFAOYSA-N 180.276 2.463 30 50 AEEA in-vitro C=CCNC(=O)c1ccc(C)cc1C 13915952 BPDUREAYWRPILL-UHFFFAOYSA-N 189.258 2.219 30 50 AEEA N#C[C@H]1CCN(Cc2ccccc2)C1 54967340 RYCQUUNQHVAFSM-GFCCVEGCSA-N 186.258 2.032 30 50 AEEA in-vitro C[C@H](O)CCCC#C[Si](C)(C)C 195825151 JPUNKAMJCLYLOS-JTQLQIEISA-N 184.355 2.418 30 50 AEEA C[C@]1(c2ccc(Cl)cc2)O[C@@H]1C#N 307394139 MWMTUAAXTBPABT-NXEZZACHSA-N 193.633 2.478 30 50 AEEA Cc1ccc(NCCC#N)cc1 2166004 MKXMURBQSSTNIT-UHFFFAOYSA-N 160.220 2.321 30 50 AEEA in-vitro C=CC(O)(C(F)(F)F)C(F)(F)F 2525297 VUSMHPJJFLCUOR-UHFFFAOYSA-N 194.074 2.028 30 50 AEEA in-vitro Cc1ccc([C@@H](C)CC=O)o1 5226073 DFSVNSCDOZSUCT-ZETCQYMHSA-N 152.193 2.281 30 50 AEEA endogenous,in-man C=C1CCN(C(=O)OC(C)(C)C)C1 33359021 PXTONRTYYUAUJU-UHFFFAOYSA-N 183.251 2.183 30 50 AEEA in-vitro CC1(C)CC(=O)C2=C1CCC2 38233983 PECJLLWRMRWDHH-UHFFFAOYSA-N 150.221 2.466 30 50 AEEA CCCCNc1ccc(C#N)cc1N 35674340 RNCJOEPIGOZWEB-UHFFFAOYSA-N 189.262 2.352 30 50 AEEA in-vitro C#Cc1ccc(Cl)cc1F 58626255 IAEDSXZJJWHQQP-UHFFFAOYSA-N 154.571 2.460 30 50 AEEA in-vitro CCCC#CBr 138166392 TWFJIRZDULTSKN-UHFFFAOYSA-N 147.015 2.142 30 50 AEEA CC(C)(C#N)C(C)(C)C#N 388905 ZVQXQPNJHRNGID-UHFFFAOYSA-N 136.198 2.086 30 50 AEEA in-vitro CC1=C(C)[C@@H](C)[C@@H](C)C1=O 2003168 ARUAYSANQMCCEN-IYSWYEEDSA-N 138.210 2.178 30 50 AEEA in-vitro CC1=C(C)[C@H](C)[C@@H](C)C1=O 2003169 ARUAYSANQMCCEN-CAHLUQPWSA-N 138.210 2.178 30 50 AEEA in-vitro C[C@]1(c2ccccc2Cl)O[C@H]1C#N 307165026 MSINREDVMWPZBS-VHSXEESVSA-N 193.633 2.478 30 50 AEEA Cc1ccc2c(C)c(C#N)c(=O)oc2c1 57772 FZGHMDGFNLQOOG-UHFFFAOYSA-N 199.209 2.282 30 50 AEEA biogenic CCCCCCC#N 1577185 SDAXRHHPNYTELL-UHFFFAOYSA-N 111.188 2.480 30 50 AEEA in-vitro N#Cc1ncc(Cl)cc1Cl 2510829 ATUOLSDAAPMVJJ-UHFFFAOYSA-N 173.002 2.260 30 50 AEEA in-vitro N#Cc1cc(C(F)(F)F)ccc1N 14989277 ZLCIALUBLCAXPL-UHFFFAOYSA-N 186.136 2.159 30 50 AEEA C/N=C1\COc2ccc(Cl)cc2N1 96027526 LKOJEBNQZZEOEW-UHFFFAOYSA-N 196.637 2.173 30 50 AEEA C#CCOc1nc2ccccc2s1 3107042 CYFQXMGOVBFDAQ-UHFFFAOYSA-N 189.239 2.308 30 50 AEEA Cc1cccc(CS)c1 4271711 PNAZUQUHTIOEHF-UHFFFAOYSA-N 138.235 2.425 30 50 AEEA in-vitro O=CC[C@@H]1C[C@H]1c1ccccc1 112944482 PEQVIHAEPCRQEB-MNOVXSKESA-N 160.216 2.379 30 50 AEEA C/C=C/C(=N/CCC)OC 43761615 ZVOXMNJVGYVKJL-UFEJRDAESA-N 141.214 2.017 30 50 AEEA c1ccc(COC2C[C@H]3O[C@@H]3C2)cc1 116179315 CWRSDAPNEGDROZ-VXGBXAGGSA-N 190.242 2.133 30 50 AEEA in-vitro N#Cc1ccc([N+](=O)[O-])cc1Cl 160594 ZIGQFRQZYVQQDR-UHFFFAOYSA-N 182.566 2.120 30 50 AEEA in-vitro CCCC[C@H](C)OCC#N 3130517 JHFMANBKIDXPEM-QMMMGPOBSA-N 141.214 2.105 30 50 AEEA C[C@]1(CCc2ccccc2)O[C@@H]1C#N 306737486 ZAYHPCRYVFLOJF-VXGBXAGGSA-N 187.242 2.300 30 50 AEEA N#Cc1ccc(F)cc1Cl 155282 PGKPNNMOFHNZJX-UHFFFAOYSA-N 155.559 2.351 30 50 AEEA C=C(C)CC(O)CC(=C)C 2165855 BUCLVUABDUWMHW-UHFFFAOYSA-N 140.226 2.280 30 50 AEEA N#Cc1sc(=S)sc1C#N 2519635 UOLMXMXMNYTRCI-UHFFFAOYSA-N 184.270 2.282 30 50 AEEA N#Cc1ccc(N2CCCC2)cc1 4272193 ZNMSYUCZLWETII-UHFFFAOYSA-N 172.231 2.158 30 50 AEEA in-vitro C[Si](C)(C)C#Cc1cccnc1O 169747689 UXFHJTUSLQIQSH-UHFFFAOYSA-N 191.306 2.016 30 50 AEEA C[Si](C)(C)c1ccc(CC#N)cc1 196306407 ALCCFYHLEANLTK-UHFFFAOYSA-N 189.334 2.298 30 50 AEEA in-vitro