smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1cccc(N=C=S)c1 1854601 WVVXNESNQXEEQV-UHFFFAOYSA-N 150.206 2.003 50 50 AEGA O=[N+]([O-])c1ccc(N=C=S)c(F)c1 15443763 DHPMIBAGEHTUJI-UHFFFAOYSA-N 198.178 2.468 50 50 AEGA ClC[C@@H]1COc2cscc2O1 39135195 UOXHKOVMJCKBOG-RXMQYKEDSA-N 190.651 2.127 50 50 AEGA C[C@H](Cl)[C@@H](C)Cl 43920170 RMISVOPUIFJTEO-ZXZARUISSA-N 127.014 2.241 50 50 AEGA ClC[C@H]1COc2ccccc2O1 158484 AYPKYQSHFKQVDL-ZETCQYMHSA-N 184.622 2.065 50 50 AEGA in-vitro CN(CCCl)C(=O)OC(C)(C)C 88077324 VQFOCOGVVYWWRJ-UHFFFAOYSA-N 193.674 2.092 50 50 AEGA in-vitro O=Cc1cc(CCl)cs1 1296251 RXGWEJJMCNQFAB-UHFFFAOYSA-N 160.625 2.299 50 50 AEGA in-vitro F[C@@H](Cl)[C@H](F)Cl 95682156 IDSKMUOSMAUASS-XIXRPRMCSA-N 134.940 2.055 50 50 AEGA O=C(CCl)[C@@H]1CCC2(CC2)C1 1857781610 MBTCTQHTMVJOOB-SSDOTTSWSA-N 172.655 2.375 50 50 AEGA CC[C@@H](N=C=O)c1ccccc1 2548127 XGPXXSJFZSZULR-SNVBAGLBSA-N 161.204 2.474 50 50 AEGA in-vitro C[C@H]1Oc2ccccc2C=C1C=O 489557 XVXWDVISFYVJQD-MRVPVSSYSA-N 174.199 2.050 50 50 AEGA biogenic,in-vitro O=C=Nc1ccc2c(c1)CCC2 2387321 PYJJKIOYUUDDDM-UHFFFAOYSA-N 159.188 2.143 50 50 AEGA in-vitro COc1ccc(CCCl)cc1 2168818 PMIAMRAWHYEPNH-UHFFFAOYSA-N 170.639 2.477 50 50 AEGA in-vitro CCC[C@H](C)SC#N 4290571 GVXHMJVSAWJUMW-LURJTMIESA-N 129.228 2.389 50 50 AEGA Cc1noc(C)c1CBr 39291449 OQWAOAIUESMDOS-UHFFFAOYSA-N 190.040 2.186 50 50 AEGA CC(C)C[C@@H](N=C=O)C(F)(F)F 85652868 KDEXWYJRBVYGSZ-ZCFIWIBFSA-N 181.157 2.299 50 50 AEGA C=C(C)[C@@H](C#N)O[Si](C)(C)C 170000266 DHVRVVOZJWUBAQ-MRVPVSSYSA-N 169.300 2.306 50 50 AEGA in-vitro Cc1ccc(NC(=O)CCl)c(C)c1 137547 MZTGUDQVUJJYCK-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA O=C(O)[C@H](Cl)c1ccccc1 1560273 QKSGIGXOKHZCQZ-SSDOTTSWSA-N 170.595 2.051 50 50 AEGA in-vitro CCCCOCCCl 2522730 OJMVRGXLTANFRG-UHFFFAOYSA-N 136.622 2.042 50 50 AEGA in-vitro C/C(C#N)=C\B1OC(C)(C)C(C)(C)O1 196680506 QKYORUHNJZYSKJ-SOFGYWHQSA-N 193.055 2.088 50 50 AEGA O=[N+]([O-])c1cc(F)ccc1N=C=S 15443769 VHJCLELIUSMSDG-UHFFFAOYSA-N 198.178 2.468 50 50 AEGA O=C=Nc1cccc(Cl)c1 1707959 HHIRBXHEYVDUAM-UHFFFAOYSA-N 153.568 2.307 50 50 AEGA O[C@@H]1CC[C@]23C=CC[C@@H]2C[C@@H](Cl)[C@@H]13 216489301 VCULKPIFGQWUOO-MVCUBJFGSA-N 198.693 2.331 50 50 AEGA O=C/C=C/c1ccc(F)cc1 2580761 YSIYEWBILJZDQH-OWOJBTEDSA-N 150.152 2.038 50 50 AEGA in-vitro [C-]#[N+]CCCCCC 100000327 AWJCOFYWVBNFET-UHFFFAOYSA-N 111.188 2.486 50 50 AEGA in-vitro CCC(=O)N[C@H]1CCCC[C@@H]1Cl 5416904 OZZJRKRVHGELNX-YUMQZZPRSA-N 189.686 2.063 50 50 AEGA Cl[C@H]1COCO[C@H]1c1ccccc1 71773348 OPNBZWUBRPHXOR-UWVGGRQHSA-N 198.649 2.339 50 50 AEGA CC(C)(C)CC(=O)OCCl 114417960 SFBGQDWZYXYQAS-UHFFFAOYSA-N 164.632 2.162 50 50 AEGA CCC[C@@H]1C[C@H]1C(=O)CCl 1857786318 KEOIXQTVJHYSPP-RNFRBKRXSA-N 160.644 2.231 50 50 AEGA CN(C)/C=C(\C#N)c1ccc(F)cc1 167778 UPUOACPCFNKEMQ-CSKARUKUSA-N 190.221 2.252 50 50 AEGA in-vitro ClCCCCCl 1693385 KJDRSWPQXHESDQ-UHFFFAOYSA-N 127.014 2.244 50 50 AEGA in-vitro COc1ccccc1C=C(C#N)C#N 98073 YCZZNGRKFVBLDL-UHFFFAOYSA-N 184.198 2.126 50 50 AEGA COC(=O)c1ccccc1N=C=S 164763 UNXVHBOJSCWVCD-UHFFFAOYSA-N 193.227 2.208 50 50 AEGA in-vitro CC(C)c1nnsc1CCl 19093203 JNDHFJBHXNJEER-UHFFFAOYSA-N 176.672 2.400 50 50 AEGA in-vitro CCOC(OCC)C(Cl)Cl 2034363 CDHLQZJRWKQATP-UHFFFAOYSA-N 187.066 2.189 50 50 AEGA N#CC(C#N)=C1CC(=O)c2ccccc21 393161 QNVKZKOSAXYVFZ-UHFFFAOYSA-N 194.193 2.074 50 50 AEGA in-vitro COc1ccc(C=C(C#N)C#N)cc1 42475 UOHFCPXBKJPCAD-UHFFFAOYSA-N 184.198 2.126 50 50 AEGA biogenic,in-vitro ClCCNCc1ccccc1 1718309 XTXGPBAONFJRNO-UHFFFAOYSA-N 169.655 2.015 50 50 AEGA in-vitro C[C@H](Br)C1CC1 114429862 PCBMBHKDBAIMHU-BYPYZUCNSA-N 149.031 2.180 50 50 AEGA ICCC1CC1 78675802 GPVQDOZPSDGYPC-UHFFFAOYSA-N 196.031 2.222 50 50 AEGA in-vitro C[C@H](O)CO[Si](C)(C)C(C)(C)C 170014604 BJDDRAYUVSVPPR-QMMMGPOBSA-N 190.359 2.389 50 50 AEGA in-vitro O=C=Nc1ccc(CCl)cc1 152307 OBYMZHLTKVXPQF-UHFFFAOYSA-N 167.595 2.393 50 50 AEGA C[C@H](CCl)CBr 2046296 ZKDOQFPDSUOLGF-BYPYZUCNSA-N 171.465 2.256 50 50 AEGA in-vitro O=Cc1ccc(OCCCl)cc1 2584514 HBHHMVNKQWECIS-UHFFFAOYSA-N 184.622 2.117 50 50 AEGA in-vitro CCCC[C@H](Br)C(=O)O 1699452 HZTPKMIMXLTOSK-YFKPBYRVSA-N 195.056 2.025 50 50 AEGA in-vitro COc1ccc(CCl)cc1 161699 MOHYOXXOKFQHDC-UHFFFAOYSA-N 156.612 2.434 50 50 AEGA CCO[Si](C)(CCC#N)OCC 169808152 ITSZNKWGCBRYQB-UHFFFAOYSA-N 187.315 2.045 50 50 AEGA FCCCCBr 2040568 WMCUHRDQSHQNRW-UHFFFAOYSA-N 155.010 2.131 50 50 AEGA in-vitro CC(C)[C@H](Br)C(=O)Cl 2504573 MVYUMPZRKNBHOP-BYPYZUCNSA-N 199.475 2.171 50 50 AEGA O=[N+]([O-])c1cccc(N=C=S)c1 4269453 OEZXLKSZOAWNJU-UHFFFAOYSA-N 180.188 2.329 50 50 AEGA O=C(CCl)c1cccc(F)c1 39054868 XGRNMEBMWPBPRT-UHFFFAOYSA-N 172.586 2.247 50 50 AEGA in-vitro O=C=Nc1ccccc1Br 153354 GOOVAYJIVMBWPP-UHFFFAOYSA-N 198.019 2.416 50 50 AEGA in-vitro CC[C@H](C)C(=O)OC(=O)[C@@H](C)CC 86049783 WRTPVONNQPWNRH-YUMQZZPRSA-N 186.251 2.148 50 50 AEGA Cc1noc(C)c1CCl 160293 NIFAUKBQIAURIM-UHFFFAOYSA-N 145.589 2.030 50 50 AEGA in-vitro CCOc1ccccc1N=C=O 164851 BUIQXUQLYZPMLS-UHFFFAOYSA-N 163.176 2.053 50 50 AEGA Cc1cc(C(=O)CCl)co1 161897866 XAGAYUGSJLRESA-UHFFFAOYSA-N 158.584 2.010 50 50 AEGA F[C@H](Cl)C(F)(F)Cl 71872195 YMRMDGSNYHCUCL-SFOWXEAESA-N 152.930 2.352 50 50 AEGA OCCCCCCCBr 2015870 MMXRRNUXCHUHOE-UHFFFAOYSA-N 195.100 2.324 50 50 AEGA ClCC1(c2ccccc2)OCCO1 49811927 IKZKUFZGNPKWNC-UHFFFAOYSA-N 198.649 2.125 50 50 AEGA CCO[Si](C)(C)c1ccccc1 170158554 FIHCECZPYHVEJO-UHFFFAOYSA-N 180.323 2.135 50 50 AEGA N#Cc1ccccc1N=C=S 2169691 GDHYPPBFBJXNRE-UHFFFAOYSA-N 160.201 2.293 50 50 AEGA in-vitro Cc1ccc([S@](=O)Cl)cc1 100053025 DYYLCPSSSFWEEA-SNVBAGLBSA-N 174.652 2.256 50 50 AEGA N#CSc1ccc([N+](=O)[O-])c(F)c1 604221508 DFNMNWQWXYRKQQ-UHFFFAOYSA-N 198.178 2.307 50 50 AEGA O=CC(Cl)=C(Cl)Cl 2038399 ZLWJEEVJKLGSRT-UHFFFAOYSA-N 159.399 2.071 50 50 AEGA COc1ccc([C@@H](C)N=C=O)cc1 2548068 WTNKKJUXEYSETC-MRVPVSSYSA-N 177.203 2.092 50 50 AEGA ClCCOc1ccccc1 1587815 VQUYNUJARXBNPK-UHFFFAOYSA-N 156.612 2.304 50 50 AEGA in-vitro O[C@H]1CC[C@@]23C=CC[C@@H]2C[C@H](Cl)[C@@H]13 71786389 VCULKPIFGQWUOO-NMUGVGKYSA-N 198.693 2.331 50 50 AEGA CN(C)C[C@@H](Cl)Cc1ccccc1 96026940 CMKSLFNTJLEZET-NSHDSACASA-N 197.709 2.398 50 50 AEGA CO[Si](C)(C)CCCC#N 195751525 XMFCIYUZZWZEHI-UHFFFAOYSA-N 157.289 2.142 50 50 AEGA CC(C)Cn1cncc1CCl 19090598 OESDYPNANHQGTR-UHFFFAOYSA-N 172.659 2.278 50 50 AEGA O=C(CBr)CC1CCC1 232175767 AZWCITCATOBWDV-UHFFFAOYSA-N 191.068 2.141 50 50 AEGA ClCc1ccsc1 16124406 KKWWFYAKOFXBEY-UHFFFAOYSA-N 132.615 2.487 50 50 AEGA CC(=O)SCC(Cl)Cl 1635512 CUGMQUOPCTUFLD-UHFFFAOYSA-N 173.064 2.070 50 50 AEGA ClCc1ccc2c(c1)CCO2 26515736 SWPANFDAIKLKBD-UHFFFAOYSA-N 168.623 2.360 50 50 AEGA Cn1nc(C(C)(C)C)cc1N=C=S 71792213 JYDRZOMDDDXEQT-UHFFFAOYSA-N 195.291 2.452 50 50 AEGA O=C=Nc1cnc(Cl)c(Cl)c1 307322758 CYJIOJYQSAIIFO-UHFFFAOYSA-N 189.001 2.356 50 50 AEGA FC(Br)Br 95671304 LTUTVFXOEGMHMP-UHFFFAOYSA-N 191.825 2.029 50 50 AEGA in-vitro CC(=O)SC[C@@H](C)CCl 1635550 KGNUAYYKUDBSBB-YFKPBYRVSA-N 166.673 2.141 50 50 AEGA in-vitro O=C/C=C/c1c(F)cccc1F 42684554 ABQCTYYKKNJKPK-NSCUHMNNSA-N 168.142 2.177 50 50 AEGA in-vitro CC(C)(C)[Si](C)(C)OCCO 169747144 YJYAGNPMQVHYAH-UHFFFAOYSA-N 176.332 2.001 50 50 AEGA in-vitro [C-]#[N+]CP(=O)(OCC)OCC 85431489 ICURVXBGGDVHDT-UHFFFAOYSA-N 177.140 2.129 50 50 AEGA C[C@H](Cl)C(=O)N1CCCCCC1 8390466 FZICYJAARJPVGH-QMMMGPOBSA-N 189.686 2.016 50 50 AEGA in-vitro O=C1OC(=O)c2cc3ccccc3cc21 68568719 IZJDCINIYIMFGX-UHFFFAOYSA-N 198.177 2.150 50 50 AEGA COc1ccc(C(=O)CCl)cc1 337833 MCRINSAETDOKDE-UHFFFAOYSA-N 184.622 2.117 50 50 AEGA in-vitro N#CCCCCCBr 1689747 PHOSWLARCIBBJZ-UHFFFAOYSA-N 176.057 2.465 50 50 AEGA in-vitro O=C(CCl)[C@@H]1CC[C@H]2C[C@H]2C1 403752130 PEEDVVAACKZQIS-RNJXMRFFSA-N 172.655 2.231 50 50 AEGA CCCC(C)=C(C#N)C#N 4558298 PKPZFHVMTGZHRY-UHFFFAOYSA-N 134.182 2.150 50 50 AEGA ClCc1ccc(-n2ccnn2)cc1 498050520 KFNQAYDGVQSDFT-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA ClCCCCBr 1690065 NIDSRGCVYOEDFW-UHFFFAOYSA-N 171.465 2.400 50 50 AEGA C=CCCCBr 2004411 LPNANKDXVBMDKE-UHFFFAOYSA-N 149.031 2.348 50 50 AEGA in-vitro O=C=Nc1ccccc1OC(F)F 2568117 CLEMTOGGFCDFRP-UHFFFAOYSA-N 185.129 2.255 50 50 AEGA CC[C@H](C)CI 2568052 RHBHXHXNWHTGSO-YFKPBYRVSA-N 198.047 2.468 50 50 AEGA in-vitro CN(C)C[C@H](Cl)Cc1ccccc1 96026939 CMKSLFNTJLEZET-LLVKDONJSA-N 197.709 2.398 50 50 AEGA N#CC1=C[C@@H]2C=C[C@@H]3C[C@H](Cl)[C@H]1[C@H]32 254312822 XPGDJEIYEMRTGD-MXDNDHKRSA-N 191.661 2.496 50 50 AEGA Br/C=C/CBr 2539349 JWQMKMSVOYQICF-OWOJBTEDSA-N 199.873 2.290 50 50 AEGA Cc1ccc(N=C=O)c(F)c1 62822007 QHXNVBHGNMZDND-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA C[C@H]1C[C@H](CC(=O)Cl)C[C@@H](C)O1 261361469 JITCFJUSEZFLTL-RNLVFQAGSA-N 190.670 2.346 50 50 AEGA O=C(Cl)c1cc(F)ccc1F 2539281 RLRUKKDFNWXXRT-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA in-vitro O=C(O)c1ccc(N=C=S)cc1 1683794 RBEFRYQKJYMLCC-UHFFFAOYSA-N 179.200 2.119 50 50 AEGA in-vitro O=C(OCCCCl)c1ccccc1 1684721 GCKCREURICWFPY-UHFFFAOYSA-N 198.649 2.472 50 50 AEGA Cc1ccc(/C=C/C=O)cc1 13542658 DKOUYOVAEBQFHU-NSCUHMNNSA-N 146.189 2.207 50 50 AEGA endogenous,in-man CSC(=O)NC(C)(C)CCl 3132781 SELRXLWJSMUKNL-UHFFFAOYSA-N 181.688 2.076 50 50 AEGA O=C=Nc1ccc(Br)cc1 3861690 CZQIJQFTRGDODI-UHFFFAOYSA-N 198.019 2.416 50 50 AEGA C[C@@H]1Cc2cc(C(=O)Cl)ccc2O1 6679745 NFVVRRDUUSUDKQ-ZCFIWIBFSA-N 196.633 2.389 50 50 AEGA O=C(Cl)CCC(F)(F)F 34467299 MEWIPRPYWOTKFX-UHFFFAOYSA-N 160.522 2.094 50 50 AEGA Cc1cnc(CCl)c(C)c1 34595999 KNBUWUONENIUDS-UHFFFAOYSA-N 155.628 2.437 50 50 AEGA in-vitro CC1(C)COP(=O)(CCl)OC1 33952975 PJRZVIMIZYGXOX-UHFFFAOYSA-N 198.586 2.449 50 50 AEGA CO/N=C1/C(C)=C(C#N)[C@H]2[C@@H]1C2(C)C 11535953 SHYXYQYPEICEMP-GSHHHWRASA-N 190.246 2.115 50 50 AEGA CCOC1(O[Si](C)(C)C)CC1 169743312 BZMMRNKDONDVIB-UHFFFAOYSA-N 174.316 2.365 50 50 AEGA in-vitro COC(=O)c1cccc(N=C=S)c1 2168491 NQXFZEJJHPUMMF-UHFFFAOYSA-N 193.227 2.208 50 50 AEGA in-vitro Cc1ccc(OCC(=O)Cl)cc1C 6033336 SMYMDAZERMENIO-UHFFFAOYSA-N 198.649 2.448 50 50 AEGA in-vitro O=C(CCl)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1857782565 UWSYFQWKAXCPOQ-ZTKNNBQKSA-N 184.666 2.086 50 50 AEGA O=C=NCc1ccccc1Cl 2568123 IBRWLEYNCGRJLX-UHFFFAOYSA-N 167.595 2.176 50 50 AEGA in-vitro O=C1CCCCC[C@H]1Cl 12505243 SDSZGDVXUFWFAA-ZCFIWIBFSA-N 146.617 2.127 50 50 AEGA C[C@@H](Cl)C1CC1 57332764 OLLKVCSBIYCEAV-SCSAIBSYSA-N 104.580 2.024 50 50 AEGA in-vitro C[C@@H](Cl)C(=O)c1ccccc1 2518352 AXCPQHPNAZONTH-SSDOTTSWSA-N 168.623 2.497 50 50 AEGA in-vitro CCCCC[C@@H]1O[C@@H]1/C=C/C=O 13433331 HIOMEXREAUSUBP-IUUOVRRDSA-N 168.236 2.089 50 50 AEGA endogenous,in-man F[C@@H](Br)C(F)(F)F 8214464 RZXZIZDRFQFCTA-PVQJCKRUSA-N 180.926 2.239 50 50 AEGA in-man COc1cc(F)cc(C(=O)Cl)c1 216474966 ULZCPYFUBHZFGG-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA Cc1cccc(CC(=O)Cl)c1 2574150 BGGKEDDFKBVTDK-UHFFFAOYSA-N 168.623 2.303 50 50 AEGA in-vitro ClC(Cl)Br 8437802 FMWLUWPQPKEARP-UHFFFAOYSA-N 163.829 2.143 50 50 AEGA in-man C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)CCl 717238957 QXICNDXTYJYJMQ-VGRMVHKJSA-N 172.655 2.086 50 50 AEGA Cc1ccccc1OCC(=O)Cl 15014351 RZUPIOFRAVBUAA-UHFFFAOYSA-N 184.622 2.139 50 50 AEGA in-vitro CC(C)CCC(=O)Cl 2566212 SVWCVXFHTHCJJB-UHFFFAOYSA-N 134.606 2.188 50 50 AEGA in-vitro FC1(F)C[C@H]1CCBr 95496187 GPGGLHYJEHBQQJ-SCSAIBSYSA-N 185.011 2.427 50 50 AEGA in-vitro Cc1ccc(C(=O)CSC#N)cc1 2565131 DNOVVJFVCQZBBL-UHFFFAOYSA-N 191.255 2.392 50 50 AEGA in-vitro CC[C@H](C)OC(=O)Cl 36466127 YSMHTFWPDRJCMN-BYPYZUCNSA-N 136.578 2.160 50 50 AEGA in-vitro Cc1ccc(C=C(C#N)C#N)cc1 97161 JIFVPBALUHDGEP-UHFFFAOYSA-N 168.199 2.426 50 50 AEGA biogenic,in-vitro C=CCOC(F)(F)[C@H](F)Cl 4240027 GUOLBKNVOPIGNP-BYPYZUCNSA-N 174.549 2.316 50 50 AEGA in-vitro Cl[C@@H]1COCO[C@H]1c1ccccc1 71773346 OPNBZWUBRPHXOR-ZJUUUORDSA-N 198.649 2.339 50 50 AEGA O=C(Cl)CCCCCC(=O)Cl 85834725 LVIMBOHJGMDKEJ-UHFFFAOYSA-N 197.061 2.468 50 50 AEGA O=C(Cl)[C@H]1CC=CCC1 2560420 CXWMHIRIXVNVQN-LURJTMIESA-N 144.601 2.108 50 50 AEGA FC(F)(Cl)CCCl 1845664 WGABYHBTXHBSEI-UHFFFAOYSA-N 148.967 2.447 50 50 AEGA in-vitro ClCC(Cl)Cl 8585885 UBOXGVDOUJQMTN-UHFFFAOYSA-N 133.405 2.029 50 50 AEGA in-vitro,metabolite CC(C)O[Si](C)(C)CCl 169747823 KOTFCAKXPLOYLN-UHFFFAOYSA-N 166.724 2.395 50 50 AEGA in-vitro CCOc1ccc(C(=O)Cl)cc1 2242598 XLWQUESMILVIPR-UHFFFAOYSA-N 184.622 2.464 50 50 AEGA in-vitro O=C=Nc1ccc([N+](=O)[O-])cc1Cl 4978062 POLDSAUWRJCSOK-UHFFFAOYSA-N 198.565 2.216 50 50 AEGA in-vitro O[C@@H]1CC[C@]23C=CC[C@@H]2C[C@H](Cl)[C@H]13 45072180 VCULKPIFGQWUOO-RCZSTQMZSA-N 198.693 2.331 50 50 AEGA COc1cnc(CCl)cc1Cl 95630896 CQDQTCHFBXWKCI-UHFFFAOYSA-N 192.045 2.482 50 50 AEGA ClCC(Cl)CCl 1667602 CFXQEHVMCRXUSD-UHFFFAOYSA-N 147.432 2.071 50 50 AEGA in-vitro CCOc1ccc(CCl)cn1 38995926 AVPYKWBMFYRNSF-UHFFFAOYSA-N 171.627 2.219 50 50 AEGA C[C@@H](Br)C1CC1 114429861 PCBMBHKDBAIMHU-SCSAIBSYSA-N 149.031 2.180 50 50 AEGA CC[C@@H](C)CBr 2015887 XKVLZBNEPALHIO-RXMQYKEDSA-N 151.047 2.427 50 50 AEGA CCOC(=O)/C(C#N)=C(\C)C(C)C 19878537 IZTBINIQCRNCBG-CMDGGOBGSA-N 181.235 2.046 50 50 AEGA CC(C)n1cc(CCl)cn1 54740374 DYFIPRFWRSVCKB-UHFFFAOYSA-N 158.632 2.203 50 50 AEGA CSc1ccc(N=C=O)cc1 152300 QNKQBDZVEKZFBN-UHFFFAOYSA-N 165.217 2.376 50 50 AEGA CCC(CC)C(=O)Cl 1648220 SMUKODJVMQOSAB-UHFFFAOYSA-N 134.606 2.188 50 50 AEGA CC[C@@H](Cl)CCl 2034408 PQBOTZNYFQWRHU-SCSAIBSYSA-N 127.014 2.243 50 50 AEGA CC(Cl)(CCl)CCl 1621692 XMCSILBVFPYTLC-UHFFFAOYSA-N 161.459 2.462 50 50 AEGA Cc1cc(C)cc(OCC(=O)Cl)c1 5697687 UGOSJYWMQDHMLF-UHFFFAOYSA-N 198.649 2.448 50 50 AEGA in-vitro O=C=Nc1ccc(Cl)cc1 1707960 ADAKRBAJFHTIEW-UHFFFAOYSA-N 153.568 2.307 50 50 AEGA CCCC(=O)NNc1ccc(C)cc1 3163055 BJVVPBGKEDVVCE-UHFFFAOYSA-N 192.262 2.238 50 50 AEGA O=C(CCl)c1ccc(F)c(F)c1 3276855 VMEDAWUIKFAFJQ-UHFFFAOYSA-N 190.576 2.386 50 50 AEGA in-vitro CCO/C=N/C1=C(C#N)CCC1 40457227 XFWXRZUROMVYLP-YRNVUSSQSA-N 164.208 2.013 50 50 AEGA O=C=Nc1c(F)cccc1Cl 12505369 KMDUNDOCWFAOSP-UHFFFAOYSA-N 171.558 2.446 50 50 AEGA in-vitro S=C=Nc1ccc2nsnc2c1 158662 HHDWFDQYUFKNCO-UHFFFAOYSA-N 193.256 2.426 50 50 AEGA in-vitro Cc1ccc(C=C(C#N)C#N)s1 5547720 HUQRFSRAWMSPGM-UHFFFAOYSA-N 174.228 2.487 50 50 AEGA C[C@H](Cl)C1CC1 57332761 OLLKVCSBIYCEAV-BYPYZUCNSA-N 104.580 2.024 50 50 AEGA in-vitro S=C=N[C@H]1C[C@H]2CC[C@@H]1C2 160173 RBGDFYZLQKZUCO-RNJXMRFFSA-N 153.250 2.278 50 50 AEGA C[C@H]1CCCCC/C(=N/NC(N)=O)C1 43761593 MUGUGZLJJDDGGH-ILETWAPCSA-N 197.282 2.001 50 50 AEGA CC(C)(C#N)O[Si](C)(C)C 169925856 JOWNMNFMYXUNHY-UHFFFAOYSA-N 157.289 2.140 50 50 AEGA in-vitro CC(=O)/C(C#N)=C\c1cccs1 33384943 FIOYLMDUKTZJNZ-YVMONPNESA-N 177.228 2.244 50 50 AEGA C=CCCCCCCCCC(=O)NN 1602854 QGWQHDWECZBDTR-UHFFFAOYSA-N 198.310 2.283 50 50 AEGA in-vitro CC/C=C\CC/C=C/C=O 4529351 HZYHMHHBBBSGHB-ODYTWBPASA-N 138.210 2.488 50 50 AEGA endogenous,in-man COC(=O)[C@@H](Cl)Cc1ccccc1 36204102 DWKOUAHXOPJAHG-VIFPVBQESA-N 198.649 2.010 50 50 AEGA in-vitro Cc1ccc([N+](=O)[O-])c(N=C=O)c1C 4979192 GCYYCDNYQBZIKN-UHFFFAOYSA-N 192.174 2.179 50 50 AEGA in-vitro CCC(CC)N=C=S 2528103 YDRYFNXKCXDLPP-UHFFFAOYSA-N 129.228 2.278 50 50 AEGA in-vitro CCCCC[C@H]1O[C@H]1/C=C/C=O 13433326 HIOMEXREAUSUBP-NVETZNIKSA-N 168.236 2.089 50 50 AEGA endogenous,in-man O=C(O)CCCCCBr 2038000 NVRVNSHHLPQGCU-UHFFFAOYSA-N 195.056 2.026 50 50 AEGA in-vitro COc1ccc(OC)c(CCl)c1 2575256 NJBICLSFUUJIDH-UHFFFAOYSA-N 186.638 2.443 50 50 AEGA in-vitro O=C1Nc2ccccc2CC[C@@H]1Cl 26265841 VOEMRDMQXDUFDU-QMMMGPOBSA-N 195.649 2.179 50 50 AEGA in-vitro O=C(Cl)OC1CCCC1 2516857 ZFQCRLNKHHXELH-UHFFFAOYSA-N 148.589 2.304 50 50 AEGA Cc1coc(C)c1C(=O)CCl 1857782473 NZNSTKGJHFVRLS-UHFFFAOYSA-N 172.611 2.318 50 50 AEGA N#CSc1cc(F)c(N)cc1F 38537377 IIXFODCKUSJSHK-UHFFFAOYSA-N 186.186 2.120 50 50 AEGA COC(=O)[C@@H]1CCCC[C@H]1CCl 238332516 OLIXVSJKZAIFGZ-JGVFFNPUSA-N 190.670 2.205 50 50 AEGA CC[C@H](C)I 2014227 IQRUSQUYPCHEKN-BYPYZUCNSA-N 184.020 2.220 50 50 AEGA COc1c(Cl)ccnc1CCl 16125284 KPQDKAMSAVONFC-UHFFFAOYSA-N 192.045 2.482 50 50 AEGA in-vitro COc1ccccc1/C=C/C(=O)Cl 3882975 FVKDKLWEAIAPHW-VOTSOKGWSA-N 196.633 2.474 50 50 AEGA in-vitro CCCC(=O)N(N)c1ccc(C)cc1 757126434 FAQVOYXCIISPDN-UHFFFAOYSA-N 192.262 2.002 50 50 AEGA Cc1ncsc1CCl 3631350 QYNYCFHHMAVVQB-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA in-vitro CC(C)C(N=C=O)C(C)C 98214290 OXFZJSOZHUVGQE-UHFFFAOYSA-N 141.214 2.003 50 50 AEGA ClCc1cn(-c2ccccc2)nn1 8729860 AHQUALIGAOCMNW-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA in-vitro O[C@H](CCCl)c1ccccc1 160290 JZFUHAGLMZWKTF-SECBINFHSA-N 170.639 2.349 50 50 AEGA in-vivo O=C(Cl)c1cnc2ccccc2n1 2149369 SOPDQKNXOCUBSR-UHFFFAOYSA-N 192.605 2.009 50 50 AEGA in-vitro O=C=NCCc1ccc(Cl)cc1 11802376 UFGOQTFPJKUOBH-UHFFFAOYSA-N 181.622 2.218 50 50 AEGA in-vitro ClCSc1ncc(Cl)cn1 39647479 PGBONSLCITYXTJ-UHFFFAOYSA-N 195.074 2.418 50 50 AEGA CCCCCCOC(=O)CCl 1595725 OJGRZJILAIHWIY-UHFFFAOYSA-N 178.659 2.349 50 50 AEGA N#CSc1ccc(F)cc1[N+](=O)[O-] 604221498 BXJQWEZDUJFARY-UHFFFAOYSA-N 198.178 2.307 50 50 AEGA CCNc1ccccc1N=C=O 1775975559 CYEFBIZEZHWVPD-UHFFFAOYSA-N 162.192 2.086 50 50 AEGA C[C@H](Cl)OC(=O)O[C@@H](C)Cl 114211405 MZFKWPWFMYRWPP-ZXZARUISSA-N 187.022 2.309 50 50 AEGA CC(C)O[Si](C)(C)C 170156014 NNLPAMPVXAPWKG-UHFFFAOYSA-N 132.279 2.246 50 50 AEGA in-vitro C[C@@H](N=C=O)c1ccccc1 54957005 JJSCUXAFAJEQGB-MRVPVSSYSA-N 147.177 2.083 50 50 AEGA in-vitro Cc1cc(N=C=O)c([N+](=O)[O-])cc1C 4978152 JWDCMBHOPBMPPZ-UHFFFAOYSA-N 192.174 2.179 50 50 AEGA CC(C)(C)C1=NN[C@H](Cl)C=C1 79066118 AXTKVYKJKWKXRR-ZETCQYMHSA-N 172.659 2.113 50 50 AEGA Cc1nc(CCCl)cs1 19092949 OPMVBCKIEBSWKW-UHFFFAOYSA-N 161.657 2.233 50 50 AEGA O=CC1=Cc2cc(Cl)ccc2OC1 2001750 VCRXKYYFRXENHC-UHFFFAOYSA-N 194.617 2.315 50 50 AEGA in-vitro Cc1cc(O)cc(C(=O)Cl)c1 199506247 ZFOQWNNJIWMHDI-UHFFFAOYSA-N 170.595 2.080 50 50 AEGA CC[C@H](C)C(=O)OC(=O)[C@H](C)CC 86049781 WRTPVONNQPWNRH-OCAPTIKFSA-N 186.251 2.148 50 50 AEGA C[C@@H](CCl)CBr 1583766 ZKDOQFPDSUOLGF-SCSAIBSYSA-N 171.465 2.256 50 50 AEGA in-vitro N#Cc1cc(Cl)ccc1N=C=O 3885923 HGZKGYSDLSMMKA-UHFFFAOYSA-N 178.578 2.179 50 50 AEGA in-vitro CC(C)[C@@H](Br)C(=O)Cl 37625865 MVYUMPZRKNBHOP-SCSAIBSYSA-N 199.475 2.171 50 50 AEGA Cc1cccc(NC(=O)CCl)c1 1655665 GYMACIQGUHXSLT-UHFFFAOYSA-N 183.638 2.172 50 50 AEGA in-vitro ClCOCc1ccccc1 2242621 LADPCMZCENPFGV-UHFFFAOYSA-N 156.612 2.400 50 50 AEGA O=C(Cl)c1cc(F)cc(F)c1 2539342 OYZWEOORLJBPMA-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA in-vitro N#CC1=CCCCC1 4521340 GTMWGXABXQTZRJ-UHFFFAOYSA-N 107.156 2.010 50 50 AEGA in-vitro [C-]#[N+]CCCCCC[N+]#[C-] 100167576 WJCPMQQLTJQIJK-UHFFFAOYSA-N 136.198 2.385 50 50 AEGA COc1cc(CCl)cc(OC)c1 2545309 CCAWDIFJOBKBSE-UHFFFAOYSA-N 186.638 2.443 50 50 AEGA in-vitro Cn1nc(CCl)c2ccccc21 5177583 LYLGQIOTMAQQEB-UHFFFAOYSA-N 180.638 2.312 50 50 AEGA in-vitro CC(C)N(CCCl)C(C)C 1718579 DBVADBHSJCWFKI-UHFFFAOYSA-N 163.692 2.344 50 50 AEGA CCCCC[C@@H]1O[C@H]1/C=C/C=O 13433327 HIOMEXREAUSUBP-MLXLLJIISA-N 168.236 2.089 50 50 AEGA endogenous,in-man F[C@@H](Cl)c1ccc(Cl)nn1 1775956414 XUBZPRYAVONMEV-RXMQYKEDSA-N 180.997 2.337 50 50 AEGA O=C(Br)c1ccccc1 2034372 AQIHMSVIAGNIDM-UHFFFAOYSA-N 185.020 2.222 50 50 AEGA CC(C)(C)CC(=O)Cl 2242608 BUTKIHRNYUEGKB-UHFFFAOYSA-N 134.606 2.188 50 50 AEGA in-vitro N#CC1=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@@H]32 254700139 FGPAZYJAFJEYOV-MKHNBGRSSA-N 155.200 2.054 50 50 AEGA FC1(F)C[C@H]1CBr 63926324 TUDJNSKRXIUOAJ-VKHMYHEASA-N 170.984 2.037 50 50 AEGA in-vitro C[C@@H]1Oc2ccccc2C=C1C=O 489556 XVXWDVISFYVJQD-QMMMGPOBSA-N 174.199 2.050 50 50 AEGA biogenic,in-vitro Fc1ncccc1CBr 91305441 QTOXWFSZUMGWKX-UHFFFAOYSA-N 190.015 2.116 50 50 AEGA in-vitro [C-]#[N+][C@H](C)c1ccncc1 100000354 ZWFFKRVDJSDQBG-SSDOTTSWSA-N 132.166 2.062 50 50 AEGA in-vitro CN(CCCl)Cc1ccccc1 1671504 JNTMWPCEVGHVML-UHFFFAOYSA-N 183.682 2.357 50 50 AEGA in-vitro CCCCC/C=C/C=O 2013450 LVBXEMGDVWVTGY-VOTSOKGWSA-N 126.199 2.322 50 50 AEGA endogenous,in-man Cc1ccccc1CC(=O)Cl 2574149 FKMIBYMTHOJWCY-UHFFFAOYSA-N 168.623 2.303 50 50 AEGA in-vitro CC(C)(C)OC(=O)NN=C1CCC1 39094420 ZNFZQJAVXBBTCJ-UHFFFAOYSA-N 184.239 2.051 50 50 AEGA CCC(CC)[C@@H](C)N=C=O 82634512 GJVBNCQYKLNBSP-SSDOTTSWSA-N 141.214 2.147 50 50 AEGA C[Si](C)(C)CCl 169743071 OOCUOKHIVGWCTJ-UHFFFAOYSA-N 122.671 2.103 50 50 AEGA in-vitro ClCc1noc(C2CCC2)n1 2568773 OHNJTQRSUDKTKX-UHFFFAOYSA-N 172.615 2.076 50 50 AEGA in-vitro Fc1ccc2nc(CCCl)[nH]c2c1 19089295 XTIREQQKBRLBOI-UHFFFAOYSA-N 198.628 2.483 50 50 AEGA in-vitro O=C(CCl)[C@@H]1C[C@H]1c1ccco1 1857786054 MREVPCXLIWJCGJ-RNFRBKRXSA-N 184.622 2.191 50 50 AEGA ClCc1cccnc1Cl 43794340 QWIIJVGEBIQHSW-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro Cc1cccc(C)c1NC(=O)CCl 73753 FPQQSNUTBWFFLB-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA in-vitro CC1=C(C=O)C(C)(C)CC=C1 1851022 SGAWOGXMMPSZPB-UHFFFAOYSA-N 150.221 2.488 50 50 AEGA endogenous,in-man O=[N+]([O-])c1ccc(N=C=S)cc1 4269455 NXHSSIGRWJENBH-UHFFFAOYSA-N 180.188 2.329 50 50 AEGA CC(C)(C)/C(C#N)=C/C#N 34370408 WGGPUYXDGYTCJX-QPJJXVBHSA-N 134.182 2.006 50 50 AEGA C=CCN(CC=C)C(=O)Cl 403374 MGQPJLWKFQNTOZ-UHFFFAOYSA-N 159.616 2.019 50 50 AEGA CC(C)NP(=O)(F)NC(C)C 43065063 UOSHUBFBCPGQAY-UHFFFAOYSA-N 182.179 2.060 50 50 AEGA in-vitro N#CSCc1ccc([N+](=O)[O-])cc1 1686878 NUMYTLIHYKESKM-UHFFFAOYSA-N 194.215 2.309 50 50 AEGA in-vitro Cc1ccc(N=C=O)cc1F 2384731 FWRCOINKYLERQL-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro C[C@H](N=C=O)c1ccc(F)cc1 2548057 MUHCZVYPBWOTTJ-ZETCQYMHSA-N 165.167 2.223 50 50 AEGA O=C(CCl)Nc1ccc(F)cc1 128576 JDAWWCJBFPBHFL-UHFFFAOYSA-N 187.601 2.003 50 50 AEGA biogenic,in-vitro N#CSCc1ccc(C#N)cc1 4323629 GCCJAUYAIJAPFG-UHFFFAOYSA-N 174.228 2.273 50 50 AEGA O=[N+]([O-])c1cc(N=C=S)ccc1F 15443773 IJSUQPCQESULFH-UHFFFAOYSA-N 198.178 2.468 50 50 AEGA CC(C)(C)NCCCCl 15021417 ADMPAKHJYCHVQD-UHFFFAOYSA-N 149.665 2.003 50 50 AEGA O=C=Nc1ccc(OC(F)F)cc1 2568118 XLUSNOUGZQJPRN-UHFFFAOYSA-N 185.129 2.255 50 50 AEGA in-vitro O=C(CCl)c1cc(F)ccc1F 2527751 HJWDDTDVBUFTCP-UHFFFAOYSA-N 190.576 2.386 50 50 AEGA in-vitro C=C(Br)CBr 1693325 YMFWYDYJHRGGPF-UHFFFAOYSA-N 199.873 2.290 50 50 AEGA in-vitro O=C=Nc1cccc(-n2cccc2)c1 4272203 PUPFPJGLDBUOOI-UHFFFAOYSA-N 184.198 2.445 50 50 AEGA in-vitro O=C=Nc1ccc(-n2cccc2)cc1 4272204 XZPOEEDBGHTYQC-UHFFFAOYSA-N 184.198 2.445 50 50 AEGA COc1cccc(C=C(C#N)C#N)c1 69356 LZBVVVZUWLWGHM-UHFFFAOYSA-N 184.198 2.126 50 50 AEGA in-vitro CCOc1ccc(N=C=O)cc1 2560447 FMYVTFRADSNGDN-UHFFFAOYSA-N 163.176 2.053 50 50 AEGA Fc1cnc(CCl)c(F)c1 98086111 PNRQVTCCNSHPBG-UHFFFAOYSA-N 163.554 2.099 50 50 AEGA S=C=Nc1cccc2nsnc12 158656 JMBKFBYZSWMIOI-UHFFFAOYSA-N 193.256 2.426 50 50 AEGA in-vitro ClCc1cn2ccccc2n1 564766 LBCREEUWXFNSAC-UHFFFAOYSA-N 166.611 2.073 50 50 AEGA in-vitro Cc1c(F)cccc1N=C=O 15443468 OXJRWBPYWYAGNW-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro Fc1ccc2nc(CCl)cn2c1 70451580 JRDWGVIMHJIMSU-UHFFFAOYSA-N 184.601 2.212 50 50 AEGA O=C(CCCl)OCc1ccccc1 1687339 OOQHRQQUQCZZHF-UHFFFAOYSA-N 198.649 2.359 50 50 AEGA CC(C)(CCl)C(=O)Cl 1850836 MQZNDDUMJVSIMH-UHFFFAOYSA-N 155.024 2.017 50 50 AEGA [C-]#[N+]CCc1ccccc1 95713390 XIJXCJCWHKUKAW-UHFFFAOYSA-N 131.178 2.148 50 50 AEGA CO/N=C1/C(C)=C(C#N)[C@@H]2[C@@H]1C2(C)C 105249318 SHYXYQYPEICEMP-JIBFJXAJSA-N 190.246 2.115 50 50 AEGA ClCc1cnc2[nH]ccc2c1 6643338 JFFYVBLKJFBLSX-UHFFFAOYSA-N 166.611 2.302 50 50 AEGA in-vitro C/C(=C\C#N)C(C)C 39393975 JNOUNLLJKNUPNS-QPJJXVBHSA-N 109.172 2.112 50 50 AEGA CCNC(=O)c1ccc(CCl)cc1 36929933 DNRIUIRDTOWAQG-UHFFFAOYSA-N 197.665 2.175 50 50 AEGA in-vitro CN(C)P(Cl)Cl 100011513 XPWWDZRSNFSLRQ-UHFFFAOYSA-N 145.957 2.253 50 50 AEGA O=C(CCCl)c1ccccc1O 238727268 KKFRUMANXCNMIM-UHFFFAOYSA-N 184.622 2.204 50 50 AEGA O=C(CCl)c1ccc(F)cc1F 2170283 UENGBOCGGKLVJJ-UHFFFAOYSA-N 190.576 2.386 50 50 AEGA in-vitro Fc1cccc(CN=C=S)c1 2528111 CCKNPKNHNFDGND-UHFFFAOYSA-N 167.208 2.429 50 50 AEGA in-vitro Cc1cccc(NC(=O)CCl)c1C 146680 UAXPAYVQIXNSHW-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA O=[N+]([O-])c1cccc(CCl)c1 164605 APGGSERFJKEWFG-UHFFFAOYSA-N 171.583 2.334 50 50 AEGA Cl[C@@H]1[C@H]2C=C[C@@H]3C=C[C@@H]1[C@H]23 254815842 FWAUCCPFOJNTNU-HJYDLFPTSA-N 152.624 2.212 50 50 AEGA O=C/C(Cl)=C/c1ccccc1 2017336 SARRRAKOHPKFBW-TWGQIWQCSA-N 166.607 2.465 50 50 AEGA COC(=O)c1cc(CCl)cs1 4294244 QNMKOZMCIPWLDO-UHFFFAOYSA-N 190.651 2.274 50 50 AEGA in-vitro CCCCOC(=O)Cl 1586736 NRDQFWXVTPZZAZ-UHFFFAOYSA-N 136.578 2.162 50 50 AEGA CC[C@@H]1CCCCN1C(=O)CCl 5317421 VZNWFNUBOBSJLK-MRVPVSSYSA-N 189.686 2.016 50 50 AEGA in-vitro CC(C)[C@@H](C#N)O[Si](C)(C)C 195939931 QLKKZICTVGOYHN-MRVPVSSYSA-N 171.316 2.386 50 50 AEGA Cc1ccc(F)cc1N=C=O 164861 KRAMFLATTKXGOW-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro O=C1CCCCC[C@@H]1Cl 12505244 SDSZGDVXUFWFAA-LURJTMIESA-N 146.617 2.127 50 50 AEGA N#CSCCC(F)(F)F 71792969 ODVVIKUMHLKOAS-UHFFFAOYSA-N 155.144 2.153 50 50 AEGA COC(=O)C(C#N)=C1CCCCCC1 1995303 SAJZJKZFYYBKKL-UHFFFAOYSA-N 193.246 2.334 50 50 AEGA CCCCC[C@H](/C=C/C=O)OO 64858618 TVNYLRYVAZWBEH-VPIOIWJLSA-N 172.224 2.180 50 50 AEGA in-man C=C(C)O[Si](C)(C)C 169839722 UAIFZYSPVVBOPN-UHFFFAOYSA-N 130.263 2.372 50 50 AEGA ClCCCc1ccccn1 13208006 JSOHEMPXGOUNET-UHFFFAOYSA-N 155.628 2.253 50 50 AEGA O=C(CCl)[C@@]12CCCC[C@@H]1C2 575532878 PFGJYEZCIUMUEG-VXNVDRBHSA-N 172.655 2.375 50 50 AEGA CC(C)=CCBr 1845620 LOYZVRIHVZEDMW-UHFFFAOYSA-N 149.031 2.348 50 50 AEGA CCCCI 1586731 KMGBZBJJOKUPIA-UHFFFAOYSA-N 184.020 2.222 50 50 AEGA in-vitro Cc1ccc(N=C=O)s1 12370780 TYOUGUHTXIYXLR-UHFFFAOYSA-N 139.179 2.024 50 50 AEGA in-vitro COc1ccc(C=C(C#N)C#N)cc1C 292948 DBOAVIBURFEJSC-UHFFFAOYSA-N 198.225 2.434 50 50 AEGA C[C@@H](CCl)NC(=O)c1ccccc1 5515596 PMLBCNUPBQXNPQ-QMMMGPOBSA-N 197.665 2.044 50 50 AEGA C[C@@H](Cl)C(=O)C#C[Si](C)(C)C 169894354 BTTDLDQGPQGEKS-SSDOTTSWSA-N 188.730 2.064 50 50 AEGA in-vitro C=C(C)C[S@](=O)O[Si](C)(C)C 170163400 AVMZLLSHIFLNSJ-SNVBAGLBSA-N 192.356 2.078 50 50 AEGA N#CSCc1ccccc1 1529490 ABNDFSOIUFLJAH-UHFFFAOYSA-N 149.218 2.401 50 50 AEGA endogenous,in-man CCOP(=O)(CCl)OCC 1694641 MZBIWKMCTWJLPT-UHFFFAOYSA-N 186.575 2.449 50 50 AEGA in-vitro CC[C@H](N=C=O)c1ccccc1 2548076 XGPXXSJFZSZULR-JTQLQIEISA-N 161.204 2.474 50 50 AEGA C[C@@](F)(Cl)CCl 63148423 OTKOPXLUNRNYCD-VKHMYHEASA-N 130.977 2.150 50 50 AEGA in-vitro C/C=C(/C=O)c1ccccc1 2037864 DYAOGZLLMZQVHY-MBXJOHMKSA-N 146.189 2.289 50 50 AEGA endogenous,in-man COc1cccc(CN=C=S)c1 2528113 SSSDJJXWAVRNCM-UHFFFAOYSA-N 179.244 2.298 50 50 AEGA in-vitro C[C@@H](Cl)OC(=O)O[C@@H](C)Cl 114211402 MZFKWPWFMYRWPP-IMJSIDKUSA-N 187.022 2.309 50 50 AEGA CC(=O)SC[C@H](C)CCl 2159777 KGNUAYYKUDBSBB-RXMQYKEDSA-N 166.673 2.141 50 50 AEGA in-vitro CSc1ccoc1C=C(C#N)C#N 2532407 AKEUWKLWDMPTSO-UHFFFAOYSA-N 190.227 2.432 50 50 AEGA N#C/C=C/c1cccs1 2164362 CONLQGNBFRQUBX-HNQUOIGGSA-N 135.191 2.285 50 50 AEGA in-vitro O=C=Nc1ccc(-c2ncccn2)cc1 12370548 VGGNOZLRRMBBQL-UHFFFAOYSA-N 197.197 2.111 50 50 AEGA Oc1cc(CCl)ccc1F 238686878 RPCGTYFYNHHXOL-UHFFFAOYSA-N 160.575 2.270 50 50 AEGA CN(C)c1cccc(C(=O)Cl)c1 2389446 CUECQYFYMGJLJD-UHFFFAOYSA-N 183.638 2.132 50 50 AEGA in-vitro FC(F)(Cl)CCl 63148406 SKDFWEPBABSFMG-UHFFFAOYSA-N 134.940 2.057 50 50 AEGA CC(C)c1cc(C(=O)Cl)no1 34928948 GZPWGHHYNHDGKH-UHFFFAOYSA-N 173.599 2.177 50 50 AEGA COc1cc(F)ccc1C(=O)Cl 36533188 KOHPYCKBINGPFW-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA Cc1ccn2cc(CCl)nc2c1 19088515 AFFYGLUVFNCIKY-UHFFFAOYSA-N 180.638 2.382 50 50 AEGA in-vitro Cc1cccc(F)c1N=C=O 141594037 XZANGQFKOFMJJL-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA CC(C)n1ccnc1CCl 33414637 IYODRPGFQSPFCK-UHFFFAOYSA-N 158.632 2.203 50 50 AEGA in-vitro S=C=NC1CCCC1 167186 PJOODZCPFADLCI-UHFFFAOYSA-N 127.212 2.032 50 50 AEGA in-vitro C[C@@H]1CCC/C(=N/NC(=O)C2CC2)C1 5005852 VBSDETQFZQELRN-GLFQRJSBSA-N 194.278 2.079 50 50 AEGA CC[C@H](C)C/C(=N/NC(N)=O)C(C)C 4948367 JLNSIWYUEWVLLJ-ILETWAPCSA-N 199.298 2.103 50 50 AEGA Cc1cc(C(=O)Cl)cs1 40451409 OQUPBCYHMQGLJO-UHFFFAOYSA-N 160.625 2.436 50 50 AEGA in-vitro Cc1ccc(CBr)cn1 44608008 MMMHSZNSSOEFAP-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA in-vitro ClC1[C@@H]2C=CC3C=C[C@@H]1C32 102263301 FWAUCCPFOJNTNU-UYWGCOEHSA-N 152.624 2.212 50 50 AEGA C/C(C=O)=C\c1ccc2c(c1)OCO2 4811709 VLNPUVFEUOBXDK-XBXARRHUSA-N 190.198 2.018 50 50 AEGA CCc1ccc(OCC(=O)Cl)cc1 9245896 ACDQQTPPIQNNLU-UHFFFAOYSA-N 198.649 2.393 50 50 AEGA in-vitro COc1ccc(C(=O)Cl)cc1F 2586039 LOSBAHQDKBWMBY-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA in-vitro ClCc1ncc2ccccc2n1 34266831 ZTXZPRVWTCOQNC-UHFFFAOYSA-N 178.622 2.369 50 50 AEGA in-vitro N#C/C=C/c1ccccc1 1675000 ZWKNLRXFUTWSOY-QPJJXVBHSA-N 129.162 2.223 50 50 AEGA in-vitro CCOC(=O)/C=C/CCCCl 2559484 CKAKSKNWORUGDA-GQCTYLIASA-N 176.643 2.125 50 50 AEGA in-vitro Cc1cccnc1CBr 2507798 XGEGMUFLOUPCSL-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA in-vitro BrCC12CC(C1)C2 230570102 ASZCSSCMSDFJJR-UHFFFAOYSA-N 161.042 2.181 50 50 AEGA COC(=C(C#N)C#N)c1ccc(C)cc1 39202596 LRPBIQKKNVMJSG-UHFFFAOYSA-N 198.225 2.400 50 50 AEGA in-vitro CN(C)/C=C(/C#N)c1cccs1 166122 TVIDDBIVPKWZNG-FPLPWBNLSA-N 178.260 2.174 50 50 AEGA N#CC1=C[C@@H]2C=C[C@@H]3C[C@H](Cl)[C@@H]1[C@H]32 216453909 XPGDJEIYEMRTGD-BNQWIEQOSA-N 191.661 2.496 50 50 AEGA O=C(O)c1ccccc1CCl 1649147 YTEUDCIEJDRJTM-UHFFFAOYSA-N 170.595 2.124 50 50 AEGA in-vitro CCCCC[C@H](C)NC(=O)CCl 2046042 OVPAMQUUIXGWGZ-QMMMGPOBSA-N 191.702 2.310 50 50 AEGA in-vitro CC(C)SCCCl 37684833 BAPOBTZBOWUIHB-UHFFFAOYSA-N 138.663 2.367 50 50 AEGA in-vitro C=C(CBr)C(F)(F)F 67794503 OYZBANRWNKQJEJ-UHFFFAOYSA-N 188.974 2.500 50 50 AEGA N#CSCC(=O)c1ccccc1 1576772 DLLVIJACDVJDIP-UHFFFAOYSA-N 177.228 2.084 50 50 AEGA in-vitro CC/C=C/CC/C=C\C=O 13551389 HZYHMHHBBBSGHB-UTUPVWNLSA-N 138.210 2.488 50 50 AEGA Cc1ccc(N=C=S)cn1 164882850 NBAODYMCMUGIBS-UHFFFAOYSA-N 150.206 2.124 50 50 AEGA CN(C)/C=C(\C#N)c1ccccc1 167761 VDKZGONUAHUVJF-PKNBQFBNSA-N 172.231 2.113 50 50 AEGA in-vitro CCC(CC)=C(C#N)C#N 391585 BMGYCEPKMYVARU-UHFFFAOYSA-N 134.182 2.150 50 50 AEGA FC(F)C1CC(Br)C1 1536220040 BPARGESYLQQWDW-UHFFFAOYSA-N 185.011 2.425 50 50 AEGA C[C@@H](N)CO[Si](C)(C)C(C)(C)C 196863744 KSYYTARALLSQRH-MRVPVSSYSA-N 189.375 2.355 50 50 AEGA N#CC(C#N)=CNc1ccccc1 50021 JZXXIAZJSDBFPQ-UHFFFAOYSA-N 169.187 2.030 50 50 AEGA S=C=NCc1ccc2c(c1)OCO2 2168513 PUJWRDBPAFJUJW-UHFFFAOYSA-N 193.227 2.018 50 50 AEGA in-vitro [C-]#[N+][C@@H](C)c1ccncc1 100000353 ZWFFKRVDJSDQBG-ZETCQYMHSA-N 132.166 2.062 50 50 AEGA in-vitro COc1ccccc1CCC(=O)Cl 2574170 YEGXZBYGDXGWJU-UHFFFAOYSA-N 198.649 2.393 50 50 AEGA in-vitro Fc1ccc2nc(CCl)[nH]c2c1 34924848 UNFCWWHNSUKYSH-UHFFFAOYSA-N 184.601 2.441 50 50 AEGA in-vitro COC(=O)c1ccccc1CCl 5997560 AAHZCIWUDPKSJP-UHFFFAOYSA-N 184.622 2.212 50 50 AEGA in-vitro Cc1sccc1C(=O)Cl 140061278 ARFSLZDAEPADKY-UHFFFAOYSA-N 160.625 2.436 50 50 AEGA CSc1ncccc1C(=O)Cl 2169159 OCEMBWMMHUSVMT-UHFFFAOYSA-N 187.651 2.183 50 50 AEGA in-vitro ClCCN(CCCl)CC1CC1 1694253 QFRZJEQFBDWVFT-UHFFFAOYSA-N 196.121 2.176 50 50 AEGA O=CC1=C(Cl)/C(=C/O)CCC1 34589189 JWUQFQYYMGMPKE-GQCTYLIASA-N 172.611 2.304 50 50 AEGA CC(C)(C)CBr 2031597 CQWYAXCOVZKLHY-UHFFFAOYSA-N 151.047 2.427 50 50 AEGA in-vitro Cc1ccsc1C(=O)Cl 2504559 AJSVPEVDFBYRCH-UHFFFAOYSA-N 160.625 2.436 50 50 AEGA Cc1ccc(C(=O)Cl)cc1 2040256 NQUVCRCCRXRJCK-UHFFFAOYSA-N 154.596 2.374 50 50 AEGA C[C@H](CCl)NC(=O)c1ccccc1 5532313 PMLBCNUPBQXNPQ-MRVPVSSYSA-N 197.665 2.044 50 50 AEGA COC(=O)[C@@H]1CCCC[C@@H]1CCl 238332395 OLIXVSJKZAIFGZ-HTQZYQBOSA-N 190.670 2.205 50 50 AEGA ClC[C@@]12CCCCN1CCC2 1536221896 RDFXMRKHBVABMR-VIFPVBQESA-N 173.687 2.244 50 50 AEGA CC[C@@H](C)Cl 2041256 BSPCSKHALVHRSR-SCSAIBSYSA-N 92.569 2.024 50 50 AEGA FC(F)Oc1ccc(CCl)cn1 91366279 LRDWHNXSPCSVDV-UHFFFAOYSA-N 193.580 2.422 50 50 AEGA C[Si](C)(C)CBr 169875900 ACAUYCZBWABOLI-UHFFFAOYSA-N 167.122 2.259 50 50 AEGA in-vitro N#CC(C#N)=C1CCc2ccccc21 79788 LCLMCAQMRSYSBG-UHFFFAOYSA-N 180.210 2.434 50 50 AEGA Cc1ccncc1CCl 82164012 MAHKASWECDVEMZ-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro ClCCCO[C@@H]1CCCCO1 2036378 QFXXARKSLAKVRL-MRVPVSSYSA-N 178.659 2.159 50 50 AEGA in-vitro Cn1ccc(-c2ccc(N=C=O)cc2)n1 12370172 ZKEJKACUGXVHKW-UHFFFAOYSA-N 199.213 2.054 50 50 AEGA CCCCC[C@@H](/C=C/C=O)OO 64858614 TVNYLRYVAZWBEH-IWGCBNPKSA-N 172.224 2.180 50 50 AEGA in-man Cc1nc(CCl)oc1C 36379740 GSPWHVKFXFSWBG-UHFFFAOYSA-N 145.589 2.030 50 50 AEGA in-vitro O=Cc1ccc(CCl)cc1 1613307 FNIFQOISPAAFQF-UHFFFAOYSA-N 154.596 2.238 50 50 AEGA in-vitro ClCCCBr 1648515 MFESCIUQSIBMSM-UHFFFAOYSA-N 157.438 2.010 50 50 AEGA in-vitro CC(=O)/C(C#N)=C/c1cccs1 173017 FIOYLMDUKTZJNZ-VMPITWQZSA-N 177.228 2.244 50 50 AEGA C/C(C=O)=C/c1ccccc1 1589931 VLUMOWNVWOXZAU-CLFYSBASSA-N 146.189 2.289 50 50 AEGA endogenous,in-man Cc1ncsc1CCCl 1192 PCLITLDOTJTVDJ-UHFFFAOYSA-N 161.657 2.233 50 50 AEGA investigational CC(C)(C)CCl 2031181 JEKYMVBQWWZVHO-UHFFFAOYSA-N 106.596 2.271 50 50 AEGA CC(=O)C(C)(C)SN(C)C(=O)F 3075362 LDCAYEVIZDLCAU-UHFFFAOYSA-N 193.243 2.024 50 50 AEGA BrCc1cncs1 76914632 SOILBLIIPUYFLH-UHFFFAOYSA-N 178.054 2.038 50 50 AEGA [C-]#[N+]C1(C(=O)OCC)CCCCC1 100000340 SMWFSZZMKYXJQU-UHFFFAOYSA-N 181.235 2.172 50 50 AEGA in-vitro N#Cc1cccc(CBr)c1 1700477 CVKOOKPNCVYHNY-UHFFFAOYSA-N 196.047 2.453 50 50 AEGA O=Cc1ccc(CBr)cc1 12370872 XYPVBKDHERGKJG-UHFFFAOYSA-N 199.047 2.394 50 50 AEGA biogenic,in-vitro CCC(=O)O[C@@H](Cl)C(C)C 22001780 IMIXSAYOLYBZBI-SSDOTTSWSA-N 164.632 2.161 50 50 AEGA in-vitro COc1cccc(CC(=O)Cl)c1 2539461 UZUYKYNVSJTWEH-UHFFFAOYSA-N 184.622 2.003 50 50 AEGA O=[N+]([O-])c1ccc(F)c(N=C=S)c1 15443768 WIJSRXIJEVBAMC-UHFFFAOYSA-N 198.178 2.468 50 50 AEGA O=C=Nc1cc(F)c(F)c(F)c1 19737280 PISHPAJOGZXLCG-UHFFFAOYSA-N 173.093 2.071 50 50 AEGA in-vitro CCC(=O)N[C@H]1CCCC[C@H]1Cl 5614543 OZZJRKRVHGELNX-SFYZADRCSA-N 189.686 2.063 50 50 AEGA Cl[C@@H]1COCO[C@@H]1c1ccccc1 71773345 OPNBZWUBRPHXOR-NXEZZACHSA-N 198.649 2.339 50 50 AEGA O=C(CCl)c1ccccc1 1673519 IMACFCSSMIZSPP-UHFFFAOYSA-N 154.596 2.108 50 50 AEGA in-vitro CCOc1cccc(N=C=O)c1 2548233 FWRKFZVKSIEEEB-UHFFFAOYSA-N 163.176 2.053 50 50 AEGA O/N=C(/CCl)c1ccccc1 5772306 VLXDSXLUNPBBOT-NTMALXAHSA-N 169.611 2.104 50 50 AEGA C[C@H](N=C=O)C1CCCCC1 2548054 IGSKYRAPJLTXSO-QMMMGPOBSA-N 153.225 2.291 50 50 AEGA C=CCCCCl 2579147 UPOBJNRMUDPATE-UHFFFAOYSA-N 104.580 2.191 50 50 AEGA CO/N=C1/C(C)=C(C#N)[C@H]2[C@H]1C2(C)C 105249326 SHYXYQYPEICEMP-NODHTMHHSA-N 190.246 2.115 50 50 AEGA C[C@@H](Cl)C(=O)N1CCCCCC1 8390468 FZICYJAARJPVGH-MRVPVSSYSA-N 189.686 2.016 50 50 AEGA in-vitro CN(C)c1ccc(SC#N)cc1 128835 WCCIEZDFRJREQJ-UHFFFAOYSA-N 178.260 2.326 50 50 AEGA in-vitro CC[C@@H](C)OC(=O)C(Cl)Cl 1684097 IQYVZHJFEAIITM-SCSAIBSYSA-N 185.050 2.132 50 50 AEGA Cc1ccnc(CCl)c1 21985734 MHMJNRKGRRCAFE-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA ClCCOCc1ccccc1 1712824 UPIMXDQREQJWMR-UHFFFAOYSA-N 170.639 2.442 50 50 AEGA in-vitro O=C(CCCl)NC1CCCCC1 12505114 GPYXZWPPJXPZKP-UHFFFAOYSA-N 189.686 2.064 50 50 AEGA in-vitro COc1ccc(CCl)cc1OC 2556287 WWHJLVMBXXXUFO-UHFFFAOYSA-N 186.638 2.443 50 50 AEGA in-vitro O=C(O)Cc1ccccc1CCl 22008416 RFYCQJHCAPCSTA-UHFFFAOYSA-N 184.622 2.053 50 50 AEGA in-vitro COC(=O)[C@H](Cl)Cc1ccccc1 36204098 DWKOUAHXOPJAHG-SECBINFHSA-N 198.649 2.010 50 50 AEGA in-vitro Cc1ncc(CBr)s1 2523055 WKOAATBPJLXWLP-UHFFFAOYSA-N 192.081 2.346 50 50 AEGA in-vitro Cc1c(N=C=O)cnn1-c1ccccc1 4277283 IIFVDOYRTLEGHQ-UHFFFAOYSA-N 199.213 2.148 50 50 AEGA in-vitro CCc1ccc(N=C=O)c(C#N)c1 21951032 GEYORSKLFCXPJY-UHFFFAOYSA-N 172.187 2.088 50 50 AEGA in-vitro CCC[C@@H](C)SC#N 4290570 GVXHMJVSAWJUMW-ZCFIWIBFSA-N 129.228 2.389 50 50 AEGA O=C(Cl)Cc1cc(F)cc(F)c1 2564957 WMVPARKLYWQLNN-UHFFFAOYSA-N 190.576 2.273 50 50 AEGA N#C/C=C/c1ccc([N+](=O)[O-])cc1 2012253 HLFGEWUHBJJYKR-OWOJBTEDSA-N 174.159 2.132 50 50 AEGA in-vitro F[C@H]1CC1(CCl)CCl 261508803 XAQZASWTXAUKEG-BYPYZUCNSA-N 157.015 2.192 50 50 AEGA ClCc1ccc(Cl)cn1 34308438 JTTKXEIHKDSIRC-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro Cc1cc(F)cc(N=C=O)c1 39088455 IRMOGDURIXFFFI-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA [C-]#[N+]C1CCCCC1 56871345 XYZMOVWWVXBHDP-UHFFFAOYSA-N 109.172 2.238 50 50 AEGA in-vitro O=C=Nc1ccc(C(=O)Cl)cc1 2149623 JZXYEMZTQVSTJC-UHFFFAOYSA-N 181.578 2.033 50 50 AEGA F[C@H](Cl)C(Cl)Cl 95707651 ORMSTDJYMPIZAO-REOHCLBHSA-N 151.395 2.325 50 50 AEGA in-vitro O=C(Cl)c1ccc2nccnc2c1 2582863 UTEQROVYZDJSOO-UHFFFAOYSA-N 192.605 2.009 50 50 AEGA in-vitro CCC/C(C)=C/C#N 43559105 UATIBVXCQWNCPG-FNORWQNLSA-N 109.172 2.256 50 50 AEGA CC/C=C/CBr 2545337 FTBPZRNURKMEFD-ONEGZZNKSA-N 149.031 2.348 50 50 AEGA in-vitro ClCc1cccc(Cl)n1 21985748 VHKDPJQJCMVQFZ-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro Cc1ccncc1CBr 34406386 QIRQFJIEBRJAES-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA in-vitro N#CC=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 100290316 QSHMGOLQXVHAGS-QLWZBITOSA-N 189.258 2.007 50 50 AEGA Cc1cccc(N(C)C(=O)CCl)c1 32117972 TULDOFRVCWOVGT-UHFFFAOYSA-N 197.665 2.197 50 50 AEGA Cc1nc(CCl)ccc1C#N 261508757 WQDWNALTVHIWSO-UHFFFAOYSA-N 166.611 2.001 50 50 AEGA CCC[C@@H](C)C(=O)Cl 4269020 MFIQXAVMTLKUJR-RXMQYKEDSA-N 134.606 2.188 50 50 AEGA in-vitro CC(=O)O[C@H](C)CCCCCl 2506784 CCAJQWQPQNZYTE-SSDOTTSWSA-N 178.659 2.347 50 50 AEGA C[Si](C)(CCl)c1ccccc1 169744923 RJCTVFQQNCNBHG-UHFFFAOYSA-N 184.742 2.380 50 50 AEGA in-vitro Cc1ccc(/C(C=O)=C/N(C)C)cc1 12410072 HCAFJKINDHGUDS-XYOKQWHBSA-N 189.258 2.096 50 50 AEGA in-vitro N#CSc1c(F)cccc1[N+](=O)[O-] 217629581 YZVITFCFJAHPEX-UHFFFAOYSA-N 198.178 2.307 50 50 AEGA CCC(=O)O[C@H](Cl)C(C)C 22001785 IMIXSAYOLYBZBI-ZETCQYMHSA-N 164.632 2.161 50 50 AEGA in-vitro CCO[P@@](C)(=O)CCCl 22017640 DNSCPXCWAHNMLK-SECBINFHSA-N 170.576 2.170 50 50 AEGA O=C(Cl)c1ccc(F)c(F)c1 2539282 RPQWXGVZELKOEU-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA in-vitro O=C=N[C@H]1CCCc2ccccc21 12957578 OABBXWCERFBLEZ-NSHDSACASA-N 173.215 2.400 50 50 AEGA O=C(CCl)c1cc(Cl)ccn1 95628676 VQZRGSAICBYKFR-UHFFFAOYSA-N 190.029 2.157 50 50 AEGA in-vitro COC(=O)[C@H](Cl)c1ccccc1 1594378 XOIOYHPJZJLTGK-MRVPVSSYSA-N 184.622 2.140 50 50 AEGA in-vitro N#CC(C#N)=C1CCCCC1 1684951 LFIASOWXJLMZNB-UHFFFAOYSA-N 146.193 2.294 50 50 AEGA in-vitro FC1(F)C[C@@H]1CBr 63926321 TUDJNSKRXIUOAJ-GSVOUGTGSA-N 170.984 2.037 50 50 AEGA in-vitro [C-]#[N+][C@@H](C)CCC 100167386 AMOPGKXKHYQXDO-LURJTMIESA-N 97.161 2.094 50 50 AEGA C[C@H](CCC(=O)Cl)CC(=O)Cl 100351436 YDDUPABDRNKFDU-RXMQYKEDSA-N 197.061 2.324 50 50 AEGA in-vitro O=C(Cl)/C=C/c1ccco1 2568191 IMRILMSKMWAKCC-ONEGZZNKSA-N 156.568 2.058 50 50 AEGA in-vitro O=C(OCCCl)c1ccccc1 1676912 ANPPGQUFDXLAGY-UHFFFAOYSA-N 184.622 2.082 50 50 AEGA in-vitro CCN(C(=O)CCl)c1ccccc1 1385063 JJZBASRBEGDLNO-UHFFFAOYSA-N 197.665 2.278 50 50 AEGA in-vitro C[C@H](Cl)[Si](C)(C)C 170159610 UWJVDEZZIPJQRF-RXMQYKEDSA-N 136.698 2.491 50 50 AEGA in-vitro CC(C)N(C(=O)Cl)C(C)C 388562 RSAFAYLZKCYUQW-UHFFFAOYSA-N 163.648 2.464 50 50 AEGA in-vitro O=C=NC12CC3CC(CC(C3)C1)C2 2504699 VBHCPGFCIQDXGZ-UHFFFAOYSA-N 177.247 2.291 50 50 AEGA in-vitro COc1ccc(OC)c(N=C=S)c1 164746 RADQLZMDTYWZKA-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA in-vitro Cc1cccc([N+](=O)[O-])c1C(=O)Cl 20578488 ZMAJSTDJAIVHGZ-UHFFFAOYSA-N 199.593 2.282 50 50 AEGA in-vitro NC(=O)CCCCCCCCCl 2831374 XQWGWBVKZHJWIX-UHFFFAOYSA-N 191.702 2.441 50 50 AEGA C[C@@H]1C[C@H]1CCC(=O)CCl 1857784821 LNRMUIYPWRLUQZ-RNFRBKRXSA-N 160.644 2.231 50 50 AEGA Cc1cnc(CCl)s1 22861726 BXCZTQRACVHZIB-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA CCCC(CCC)N=C=O 85652855 MXACCRVHOAJKBF-UHFFFAOYSA-N 141.214 2.291 50 50 AEGA [C-]#[N+]CCCCC 60290209 QVUBMHTYZLUXSP-UHFFFAOYSA-N 97.161 2.096 50 50 AEGA in-vitro CCCCCCl 1586303 SQCZQTSHSZLZIQ-UHFFFAOYSA-N 106.596 2.415 50 50 AEGA in-vitro O=C(OCCl)c1ccccc1 1641198 BOXZXICVMMSYPE-UHFFFAOYSA-N 170.595 2.040 50 50 AEGA in-vitro FC(F)OC(F)(F)[C@H](F)Cl 3872449 JPGQOUSTVILISH-SFOWXEAESA-N 184.491 2.353 50 50 AEGA world ClCc1cccc2cn[nH]c12 87493380 QQECYNXETDUMAG-UHFFFAOYSA-N 166.611 2.302 50 50 AEGA COc1ccc(/C=C/C#N)cc1OC 1682996 WGPTVEZJYRFEGT-ONEGZZNKSA-N 189.214 2.241 50 50 AEGA Cc1cncc(CCl)c1 15021787 DZZYVVUYEDSKBU-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro CCO[Si](CC)(OCC)OCC 169746943 DENFJSAFJTVPJR-UHFFFAOYSA-N 192.331 2.055 50 50 AEGA in-vitro CC(C)[C@H](C#N)O[Si](C)(C)C 195939936 QLKKZICTVGOYHN-QMMMGPOBSA-N 171.316 2.386 50 50 AEGA CC(C)(OO)c1ccccc1 8585911 YQHLDYVWEZKEOX-UHFFFAOYSA-N 152.193 2.411 50 50 AEGA in-vitro,metabolite O=C(Cl)c1ccc2c(c1)CCO2 2582815 YQCKMNRXXRJGIZ-UHFFFAOYSA-N 182.606 2.001 50 50 AEGA in-vitro C[C@@H](O)CO[Si](C)(C)C(C)(C)C 196475449 BJDDRAYUVSVPPR-MRVPVSSYSA-N 190.359 2.389 50 50 AEGA in-vitro O=C(Cl)c1ccc(F)c(F)c1F 2545325 NXRQXCFBZGIRGN-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro FC(Cl)(Cl)CCl 63148462 ZKVMMSGRDBQIOQ-UHFFFAOYSA-N 151.395 2.326 50 50 AEGA c1ccc(Pc2ccccc2)cc1 1555824 GPAYUJZHTULNBE-UHFFFAOYSA-N 186.194 2.316 50 50 AEGA in-vitro CC(C)CBr 1586727 HLVFKOKELQSXIQ-UHFFFAOYSA-N 137.020 2.037 50 50 AEGA Cc1ncc(CCl)s1 36379790 NHRPDSWALNDCIN-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA in-vitro C[Si]1(C)Oc2ccccc2O1 195852383 FYIOUNUARYBBRR-UHFFFAOYSA-N 166.252 2.160 50 50 AEGA [C-]#[N+]C1CCC(F)(F)CC1 113653642 DCLSKEZWHCFPKU-UHFFFAOYSA-N 145.152 2.484 50 50 AEGA in-vitro O=C1CCCCC[C@@H]1Br 43651194 JFNPFFAEYZRVJS-LURJTMIESA-N 191.068 2.283 50 50 AEGA Cc1cccc(N=C=O)c1F 75843795 VZDOBVJRJIGRFX-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA C[Si](C)(C)C#CCBr 169743414 GAPRPFRDVCCCHR-UHFFFAOYSA-N 191.144 2.262 50 50 AEGA COc1ccc(N=C=S)c(OC)c1 164845 CNXSCEPTSXPBTP-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA in-vitro ClC/C=C/CCl 1699991 FQDIANVAWVHZIR-OWOJBTEDSA-N 124.998 2.020 50 50 AEGA in-vitro C[C@@H](CCl)CN1CCCCC1 39375567 VEXKIOOWPFOHQI-VIFPVBQESA-N 175.703 2.347 50 50 AEGA O=C(Cl)C1(c2ccccc2)CC1 2574159 NSSCREWKCZJMTL-UHFFFAOYSA-N 180.634 2.484 50 50 AEGA in-vitro COc1ccc(/C=C/C#N)cc1 1590749 CNBCNHHPIBKYBO-NSCUHMNNSA-N 159.188 2.232 50 50 AEGA in-vitro Cc1ccc(/C=C/C(=O)Cl)o1 39395183 WNVMEYJIQAAXGD-SNAWJCMRSA-N 170.595 2.367 50 50 AEGA S=C=N[C@@H]1C[C@H]2CC[C@@H]1C2 3179996 RBGDFYZLQKZUCO-XLPZGREQSA-N 153.250 2.278 50 50 AEGA CC(C)COC(=O)Cl 388452 YOETUEMZNOLGDB-UHFFFAOYSA-N 136.578 2.018 50 50 AEGA C[C@](F)(Cl)CCl 2584263 OTKOPXLUNRNYCD-GSVOUGTGSA-N 130.977 2.150 50 50 AEGA in-vitro O=C1O[C@@H](Cl)c2ccccc21 1718600 GHZPDRVHYHFILK-SSDOTTSWSA-N 168.579 2.094 50 50 AEGA in-vitro N#CC(C(N)=S)=C1CCCCC1 242734 ZWPSRIGCBBYTDD-UHFFFAOYSA-N 180.276 2.057 50 50 AEGA in-vitro O=C(O)c1cccc(CCl)c1 331709 PBSUMBYSVFTMNG-UHFFFAOYSA-N 170.595 2.124 50 50 AEGA in-vitro O=C(Cl)Cc1ccc(F)cc1F 12953110 REYSRIJCIXHMLY-UHFFFAOYSA-N 190.576 2.273 50 50 AEGA in-vitro CCC(=O)N[C@@H]1CCCC[C@@H]1Cl 5416900 OZZJRKRVHGELNX-JGVFFNPUSA-N 189.686 2.063 50 50 AEGA C[Si]1(C)CC[Si](C)(C)O1 169747579 ZJWXCSUSULCHCK-UHFFFAOYSA-N 160.365 2.427 50 50 AEGA ClCc1ccc2[nH]ncc2c1 36533262 MINWBKTYJNPQBH-UHFFFAOYSA-N 166.611 2.302 50 50 AEGA CCC(CC)(C(=O)Cl)C(=O)Cl 100269414 FWKCXFPQSXNCBW-UHFFFAOYSA-N 197.061 2.324 50 50 AEGA O=C(Cl)SCl 95698302 MNOALXGAYUJNKX-UHFFFAOYSA-N 130.983 2.232 50 50 AEGA C=CCC(C)(C)C(=O)Cl 115267292 WYKIVLYHNSLTKU-UHFFFAOYSA-N 146.617 2.354 50 50 AEGA N#CCCSSCCC#N 2383131 HHEYGEJOMQFDFN-UHFFFAOYSA-N 172.278 2.195 50 50 AEGA in-vitro O=C(Cl)c1ccnc(C2CC2)c1 263624089 NGTXLHBTPJNODJ-UHFFFAOYSA-N 181.622 2.338 50 50 AEGA O=C(CCl)[C@@H]1CC[C@@H]2C[C@@H]2C1 403752102 PEEDVVAACKZQIS-BWZBUEFSSA-N 172.655 2.231 50 50 AEGA O=C(CCl)c1ccc(F)cc1 155417 UJZWJOQRSMOFMA-UHFFFAOYSA-N 172.586 2.247 50 50 AEGA in-vitro Cc1cccc(N=C=O)c1C 2560433 KNHJIEOCVVIBIV-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro CC1=NC(C)=C(Cl)C(=O)[C@@H]1Cl 95483527 QCMHHYSPKNVXLR-RXMQYKEDSA-N 192.045 2.108 50 50 AEGA CC(C)(C)[Si](C)(C)OC[C@@H]1CO1 170156907 YANSSVVGZPNSKD-QMMMGPOBSA-N 188.343 2.407 50 50 AEGA ClCc1noc(-c2ccco2)n1 12505764 VTUUJQKILAXUOD-UHFFFAOYSA-N 184.582 2.068 50 50 AEGA in-vitro COC(=O)Cc1ccccc1CCl 22008421 MKQGUCPIBZQIRP-UHFFFAOYSA-N 198.649 2.141 50 50 AEGA in-vitro COc1ccc(CCC(=O)Cl)cc1 2578899 FQVJPHCAWYRYCK-UHFFFAOYSA-N 198.649 2.393 50 50 AEGA in-vitro COc1ncc(CCl)cc1Cl 40886172 UNCQLBTVVVCJFQ-UHFFFAOYSA-N 192.045 2.482 50 50 AEGA in-vitro CO[C@@H](CBr)C1CCC1 521398981 HSZQNEYYXIMFCE-ZETCQYMHSA-N 193.084 2.196 50 50 AEGA C[C@H](Oc1ccccc1)C(=O)Cl 1700204 BDSSZTXPZHIYHM-ZETCQYMHSA-N 184.622 2.219 50 50 AEGA Cc1nc(CCl)cs1 157256 AQBBZYVPKBIILN-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA in-vitro Cc1csc(C(=O)Cl)c1 2392120 LUEKBBMZPLXIQR-UHFFFAOYSA-N 160.625 2.436 50 50 AEGA in-vitro CC[C@H]1CCCCN1C(=O)CCl 5317810 VZNWFNUBOBSJLK-QMMMGPOBSA-N 189.686 2.016 50 50 AEGA in-vitro C[C@@H](Oc1ccccc1)C(=O)Cl 2042900 BDSSZTXPZHIYHM-SSDOTTSWSA-N 184.622 2.219 50 50 AEGA CC(C)(C)OCCCCl 3130997 WHVMPBIIYDTYRE-UHFFFAOYSA-N 150.649 2.430 50 50 AEGA O[C@H](CCCl)c1ccc(F)cc1 34111785 GQGPYILQJAINSJ-SECBINFHSA-N 188.629 2.488 50 50 AEGA BrCc1nccs1 34469395 VMJOGHYLJSXTDW-UHFFFAOYSA-N 178.054 2.038 50 50 AEGA in-vitro CCC(C)(C)C(=O)Cl 2598115 LDJUYMIFFNTKOI-UHFFFAOYSA-N 134.606 2.188 50 50 AEGA in-vitro N#Cc1ccc(N=C=S)cc1 152332 DZFKAXLNKZXNHD-UHFFFAOYSA-N 160.201 2.293 50 50 AEGA in-vitro COc1ccc(/C=C(\C)C=O)cc1 16957493 BNBBFUJNMYQYLA-VQHVLOKHSA-N 176.215 2.297 50 50 AEGA endogenous,in-man COC(=O)c1sccc1N=C=S 159908 RKBLURUDWDTMOB-UHFFFAOYSA-N 199.256 2.269 50 50 AEGA in-vitro O=C=Nc1cccc(F)c1Cl 2526744 HEWWJMANSDJYAA-UHFFFAOYSA-N 171.558 2.446 50 50 AEGA in-vitro CCCCc1noc(CCl)n1 12505460 NLICAZMQVLJBFB-UHFFFAOYSA-N 174.631 2.151 50 50 AEGA in-vitro COc1cccc(OCCCl)c1 19094273 MZITZAORZBGNDH-UHFFFAOYSA-N 186.638 2.313 50 50 AEGA in-vitro C[C@H](Cl)C(Cl)Cl 2013255 GRSQYISVQKPZCW-REOHCLBHSA-N 147.432 2.417 50 50 AEGA CCCSC(=O)Cl 1698299 FYOPSYJKEHWOBR-UHFFFAOYSA-N 138.619 2.488 50 50 AEGA CC1=NC(C)=C(Cl)C(=O)[C@H]1Cl 95483528 QCMHHYSPKNVXLR-YFKPBYRVSA-N 192.045 2.108 50 50 AEGA Cc1cc(N=C=O)ccc1F 2585389 QLOBMZKAOAACPA-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro O=C(CCl)[C@@H]1CC[C@H]2C[C@@H]2C1 403752145 PEEDVVAACKZQIS-XLPZGREQSA-N 172.655 2.231 50 50 AEGA C=CCSSC 1531088 XNZOTQPMYMCTBZ-UHFFFAOYSA-N 120.242 2.184 50 50 AEGA endogenous,in-man CC[C@H](C)CBr 1846563 XKVLZBNEPALHIO-YFKPBYRVSA-N 151.047 2.427 50 50 AEGA O=C=Nc1cnc(Cl)cc1Cl 958528067 SZERNIUDDCNYRK-UHFFFAOYSA-N 189.001 2.356 50 50 AEGA O=C=Nc1c(F)cc(F)cc1F 2580782 XORSGSHLSDFOHP-UHFFFAOYSA-N 173.093 2.071 50 50 AEGA in-vitro CNc1ccc(SC#N)cc1 53706 LZFNJFRNIKZSTR-UHFFFAOYSA-N 164.233 2.301 50 50 AEGA ClCCCOCCCCl 1693355 SMANNJALMIGASX-UHFFFAOYSA-N 171.067 2.261 50 50 AEGA C=CCOC(F)(F)[C@@H](F)Cl 2579135 GUOLBKNVOPIGNP-SCSAIBSYSA-N 174.549 2.316 50 50 AEGA in-vitro S=C=NCCc1ccccc1 2022074 IZJDOKYDEWTZSO-UHFFFAOYSA-N 163.245 2.332 50 50 AEGA endogenous,investigational N#CC1=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@H]32 230118961 FGPAZYJAFJEYOV-YKDSUIRESA-N 155.200 2.054 50 50 AEGA Cc1ccc(C[C@@H](O)CCl)cc1 2173506 BGUXQHQYTCAHPJ-SNVBAGLBSA-N 184.666 2.137 50 50 AEGA O=c1cc(CCl)[nH]c2ccccc12 8703722 ZAAZQGYLHKHVIK-UHFFFAOYSA-N 193.633 2.267 50 50 AEGA in-vitro CCC(CC)C(=O)OCCl 86014499 AAACXXOAKLEEOX-UHFFFAOYSA-N 164.632 2.162 50 50 AEGA COc1ccccc1C(=O)Cl 2140811 RZNHSEZOLFEFGB-UHFFFAOYSA-N 170.595 2.074 50 50 AEGA in-vitro Cc1ccc(CC(=O)Cl)cc1 2566211 QDZAWVLWIMOXJT-UHFFFAOYSA-N 168.623 2.303 50 50 AEGA in-vitro ClCc1ccc2cc[nH]c2n1 95929111 VDJZAHDFLSNLGB-UHFFFAOYSA-N 166.611 2.302 50 50 AEGA in-vitro N#Cc1ccccc1CCl 331060 ZSHNOXOGXHXLAV-UHFFFAOYSA-N 151.596 2.297 50 50 AEGA in-vitro N#CC1=C[C@@H]2C=C[C@@H]3C[C@H](Cl)[C@@H]1[C@@H]32 254312819 XPGDJEIYEMRTGD-FZHDAFOHSA-N 191.661 2.496 50 50 AEGA CC(=O)Nc1ccc(C(=O)Cl)cc1 2389445 KRKXGCJUNKZXOY-UHFFFAOYSA-N 197.621 2.024 50 50 AEGA O=C(CCl)c1cccs1 2383794 KHOWLHQEABZKNA-UHFFFAOYSA-N 160.625 2.170 50 50 AEGA in-vitro ClC[C@]12CCCCN1CCC2 1536221895 RDFXMRKHBVABMR-SECBINFHSA-N 173.687 2.244 50 50 AEGA N#C/C=C/C1CCCC1 35270621 VMELXYJYSXXORF-ZZXKWVIFSA-N 121.183 2.256 50 50 AEGA C=C(Br)CCl 2579141 LGQUWHWIEUSLLO-UHFFFAOYSA-N 155.422 2.134 50 50 AEGA CCCCC[C@H](C)N=C=O 2548060 PIVVYCUAIZAGPB-QMMMGPOBSA-N 141.214 2.291 50 50 AEGA CSCCCCN=C=S 2383009 IHQDGXUYTSZGOG-UHFFFAOYSA-N 161.295 2.232 50 50 AEGA endogenous,in-man ClCc1cc(Br)no1 4198765 GQKKVODIBXQDQL-UHFFFAOYSA-N 196.431 2.176 50 50 AEGA in-vitro C#CC(C)(C)O[Si](C)(C)C 169747111 JNRUXZIXAXHXTN-UHFFFAOYSA-N 156.301 2.250 50 50 AEGA O=C=Nc1ccc(Cl)cc1F 2509914 HHFPUBQPIUYQJW-UHFFFAOYSA-N 171.558 2.446 50 50 AEGA CN(Cc1ccccc1)C(=O)Cl 38916444 HIRNDYDRQNZASU-UHFFFAOYSA-N 183.638 2.477 50 50 AEGA in-vitro O=C(CCl)Nc1ccccc1F 1447977 YHJYFDQKFJQLNL-UHFFFAOYSA-N 187.601 2.003 50 50 AEGA in-vitro IC1CCCC1 1693259 PCEBAZIVZVIQEO-UHFFFAOYSA-N 196.031 2.364 50 50 AEGA C[C@@H](Cl)CCC(=O)Cl 39253173 HCBIDLRKPXILPU-SCSAIBSYSA-N 155.024 2.159 50 50 AEGA Br[C@@H]1C=CCCC1 49942692 AJKDUJRRWLQXHM-ZCFIWIBFSA-N 161.042 2.490 50 50 AEGA in-vitro C[C@@H](Cl)CCCl 2039797 QBGVARBIQGHVKR-SCSAIBSYSA-N 127.014 2.243 50 50 AEGA CCCCCCCN=C=O 2516951 RFXBSYPBSRSQDU-UHFFFAOYSA-N 141.214 2.293 50 50 AEGA Cl[C@@H]1C=CCCC1 56961599 LNGQLHZIYFQUIR-ZCFIWIBFSA-N 116.591 2.334 50 50 AEGA in-vitro COc1c(C)cnc(CCl)c1C 336108 SRKVJDYNPSMHJM-UHFFFAOYSA-N 185.654 2.446 50 50 AEGA in-vitro CC[C@@H](C)C(=O)OC(=O)[C@H](C)CC 86049785 WRTPVONNQPWNRH-HTQZYQBOSA-N 186.251 2.148 50 50 AEGA CCO[C@@H](CBr)C1CC1 521399555 ZRRXTABJXKDJNU-ZETCQYMHSA-N 193.084 2.196 50 50 AEGA CCc1ccc(N=C=O)cc1 2560448 FWPYUSLQCQDLJR-UHFFFAOYSA-N 147.177 2.216 50 50 AEGA in-vitro CO[Si](C)(C)c1ccc(C)cc1 169744942 GIQXGMLMIZAKLB-UHFFFAOYSA-N 180.323 2.054 50 50 AEGA in-vitro ClCc1cnn(-c2ccccn2)c1 95829768 HSJWMZWILGBGPS-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA O=C(CCl)[C@@]12CCCC[C@H]1C2 575532875 PFGJYEZCIUMUEG-IONNQARKSA-N 172.655 2.375 50 50 AEGA COCc1ccccc1/C=C(\C)C=O 211879515 BVJCWMUTWGRJRJ-JXMROGBWSA-N 190.242 2.435 50 50 AEGA in-vitro Cc1ccccc1C=C(C#N)C#N 98105 KQUXXJMMRODTQF-UHFFFAOYSA-N 168.199 2.426 50 50 AEGA in-vitro Oc1cccc(CCl)c1 2034015 ZFIKJVXBLFGISQ-UHFFFAOYSA-N 142.585 2.131 50 50 AEGA in-vitro Br[C@@H]1[C@@H]2C=C[C@H]1CC2 100555900 XFPAUZYYSFLZRD-KVSKUHBBSA-N 173.053 2.346 50 50 AEGA O=C(CCl)Nc1cccc(F)c1 3272884 BYGYGNMGANLDQP-UHFFFAOYSA-N 187.601 2.003 50 50 AEGA in-vitro N#CS[C@@H](C#N)Cc1ccccc1 97517 IEHPZQDZKHWGCT-SNVBAGLBSA-N 188.255 2.336 50 50 AEGA COc1cccc(N=C=S)c1 167104 WHBYCPUKGYEYFU-UHFFFAOYSA-N 165.217 2.430 50 50 AEGA in-vitro ClCC#Cc1ccccc1 1729044 RMPSZEZJKSUNKR-UHFFFAOYSA-N 150.608 2.277 50 50 AEGA FC(F)C(F)(F)CCl 2530823 WMCLYSGSAJGCJY-UHFFFAOYSA-N 150.502 2.126 50 50 AEGA CCOC(=N)CCCCl 34924834 GIVFICYZPRJIFQ-UHFFFAOYSA-N 149.621 2.019 50 50 AEGA in-vitro CCCCC(=O)OC(=O)CCCC 45331644 DUCKXCGALKOSJF-UHFFFAOYSA-N 186.251 2.437 50 50 AEGA O=C(CCl)c1ccc(Cl)o1 227551689 LYOMNBLEGDSONB-UHFFFAOYSA-N 179.002 2.355 50 50 AEGA Cl[C@@H]1C[C@@H]2CC[C@H]1C2 57988228 PJWBUKHIZPKRJF-DSYKOEDSSA-N 130.618 2.414 50 50 AEGA F[C@H](Cl)[C@H](F)Cl 95682157 IDSKMUOSMAUASS-LWMBPPNESA-N 134.940 2.055 50 50 AEGA Cc1ccc2nc(CCl)cn2c1 3888227 PLRNFKAZHXWINP-UHFFFAOYSA-N 180.638 2.382 50 50 AEGA in-vitro ClCc1noc(C2CCCC2)n1 19090795 AIMLZTHNVMYLOQ-UHFFFAOYSA-N 186.642 2.466 50 50 AEGA in-vitro CCCCC[C@@H](C)N=C=O 2548059 PIVVYCUAIZAGPB-MRVPVSSYSA-N 141.214 2.291 50 50 AEGA C=C(CCl)CCl 2022278 XJFZOSUFGSANIF-UHFFFAOYSA-N 124.998 2.020 50 50 AEGA in-vitro BrCCC1CCOCC1 12370814 WPDAWFCZGSQOPZ-UHFFFAOYSA-N 193.084 2.198 50 50 AEGA in-vitro F[C@H](Cl)C(F)(F)F 59977867 BOUGCJDAQLKBQH-SFOWXEAESA-N 136.475 2.083 50 50 AEGA BrC1CCCC1 1587858 BRTFVKHPEHKBQF-UHFFFAOYSA-N 149.031 2.324 50 50 AEGA in-vitro O=C(O)c1ccc(CCl)cc1 1713271 OITNBJHJJGMFBN-UHFFFAOYSA-N 170.595 2.124 50 50 AEGA biogenic CC(=O)Oc1ccccc1CCl 2379655 ZVARSKBWVMXPQO-UHFFFAOYSA-N 184.622 2.351 50 50 AEGA in-vitro C=C[Si](C)(C)CCl 169746872 SZZZMXFBEKWPBU-UHFFFAOYSA-N 134.682 2.198 50 50 AEGA O=C(CCl)OC1CCCCC1 161079 IBFHBLOKQVCABG-UHFFFAOYSA-N 176.643 2.101 50 50 AEGA in-vitro O=C(Cl)c1ccccc1 2041164 PASDCCFISLVPSO-UHFFFAOYSA-N 140.569 2.066 50 50 AEGA in-vitro BrCCc1ccccn1 12360598 VZWCPLGFXOCGLM-UHFFFAOYSA-N 186.052 2.019 50 50 AEGA in-vitro O=C(Cl)OCCCCCl 2504713 OTDWRXBRYNVCDN-UHFFFAOYSA-N 171.023 2.381 50 50 AEGA in-vitro C[C@H](Br)C(=O)C(C)(C)C 39218731 DZHSIOPOJHOGKT-YFKPBYRVSA-N 193.084 2.385 50 50 AEGA in-vitro O=C(Cl)c1cc(F)cc(F)c1F 2575067 QTIPHWWHHRFTNO-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro CC[C@H](C)Cl 2041257 BSPCSKHALVHRSR-BYPYZUCNSA-N 92.569 2.024 50 50 AEGA CC(=O)Oc1ccc(CCl)cc1 4976105 OKRCXSCDWKJWSW-UHFFFAOYSA-N 184.622 2.351 50 50 AEGA C[C@H](Cl)C(=O)Nc1ccccc1 1657274 BWWXKHHVIAJJFM-ZETCQYMHSA-N 183.638 2.252 50 50 AEGA in-vitro O=C/C=C/c1cc(F)cc(F)c1 166908790 VUJNIOGUAYENEA-OWOJBTEDSA-N 168.142 2.177 50 50 AEGA CC/C=C\CC/C=C\C=O 13551387 HZYHMHHBBBSGHB-KPDBFRNYSA-N 138.210 2.488 50 50 AEGA endogenous,in-man C[C@H](Cl)C(=O)c1ccccc1 1687099 AXCPQHPNAZONTH-ZETCQYMHSA-N 168.623 2.497 50 50 AEGA in-vitro ClCCc1nc2ccccc2[nH]1 21299241 TUGGOLWUZCCVBF-UHFFFAOYSA-N 180.638 2.344 50 50 AEGA in-vitro CCC[C@H](C)N=C=S 2528104 SQBOSXLLKLBNSH-LURJTMIESA-N 129.228 2.278 50 50 AEGA in-vitro Cn1ccc2ccc(N=C=O)cc21 12370284 NNPKUXMSIKSIDR-UHFFFAOYSA-N 172.187 2.146 50 50 AEGA COC(=O)c1cc(CCl)oc1C 3886363 DFCNNNDDPZDIOT-UHFFFAOYSA-N 188.610 2.113 50 50 AEGA in-vitro CN(C)C(=O)c1ccc(CCl)cc1 36923767 UMAPDJRQFLVOIA-UHFFFAOYSA-N 197.665 2.127 50 50 AEGA CC[C@@H](C)CI 70234253 RHBHXHXNWHTGSO-RXMQYKEDSA-N 198.047 2.468 50 50 AEGA in-vitro CCCn1cncc1CCl 78675770 ZBRYBOZLUCTXCD-UHFFFAOYSA-N 158.632 2.032 50 50 AEGA COc1cccc([C@@H](C)N=C=O)c1 2548106 YNWCQMWZIOMQOP-MRVPVSSYSA-N 177.203 2.092 50 50 AEGA CCSSCC 1648264 CETBSQOFQKLHHZ-UHFFFAOYSA-N 122.258 2.408 50 50 AEGA endogenous,in-man O=C/C(=C/O)c1ccc2ccccc2n1 8782430 HNBVBCHTDSDLSW-YFHOEESVSA-N 199.209 2.333 50 50 AEGA ClCc1cncc(Cl)c1 34333376 DEFJPBMQJUFFBE-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro C=C(C)[C@H](C#N)O[Si](C)(C)C 170000268 DHVRVVOZJWUBAQ-QMMMGPOBSA-N 169.300 2.306 50 50 AEGA in-vitro CC1(C(Cl)Cl)C=CC(=O)C=C1 4029859 MJRRCEHODULPAV-UHFFFAOYSA-N 191.057 2.492 50 50 AEGA biogenic,in-vitro C[C@@]12CC=CC[C@]1(C)C(C#N)=C(N)C2 71785548 PQOALYAQQYDTRS-NWDGAFQWSA-N 188.274 2.489 50 50 AEGA CCCC[C@@H](Br)C(=O)O 2034417 HZTPKMIMXLTOSK-RXMQYKEDSA-N 195.056 2.025 50 50 AEGA in-vitro COc1cc(N=C=S)cc(OC)c1 167202 FKUHOOASBHTEQY-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA in-vitro CCCC/C=C\C=C/C=O 13545911 ZHHYXNZJDGDGPJ-ISTTXYCBSA-N 138.210 2.488 50 50 AEGA O=C(Cl)CCc1ccccc1 1641183 MFEILWXBDBCWKF-UHFFFAOYSA-N 168.623 2.385 50 50 AEGA in-vitro Cc1cc(SC#N)cc(C)c1N 3035295 WFKTVTOQIRALCU-UHFFFAOYSA-N 178.260 2.459 50 50 AEGA in-vitro O=C(CCl)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1857782563 UWSYFQWKAXCPOQ-SYHAXYEDSA-N 184.666 2.086 50 50 AEGA CC(C)CCc1noc(CCl)n1 38342380 HJXRPVMCMUCUMB-UHFFFAOYSA-N 188.658 2.397 50 50 AEGA in-vitro CCN(CC)C(F)(F)[C@H](F)Cl 19616169 BDZHKUAKSMWSAJ-YFKPBYRVSA-N 189.608 2.455 50 50 AEGA CCCCCC(=O)Cl 1847704 YWGHUJQYGPDNKT-UHFFFAOYSA-N 134.606 2.332 50 50 AEGA CCC/C=C/C(=O)Cl 2574130 NVXGQRPGUGAMNJ-SNAWJCMRSA-N 132.590 2.108 50 50 AEGA in-vitro CCOc1ccc(CCl)nc1 34360726 OAEDWUPZIBOQMF-UHFFFAOYSA-N 171.627 2.219 50 50 AEGA in-vitro O[C@H]1CC[C@]23C=CC[C@H]2C[C@H](Cl)[C@H]13 71786407 VCULKPIFGQWUOO-LADJIXMOSA-N 198.693 2.331 50 50 AEGA CN(C)c1ccc(N=C=S)cc1 164253 HRDJPEMAGYHSJR-UHFFFAOYSA-N 178.260 2.487 50 50 AEGA in-vitro O=C(CCCl)Nc1ccccc1 1678739 FRXJYUFHAXXSAL-UHFFFAOYSA-N 183.638 2.254 50 50 AEGA in-vitro CC1=CC(=C(C#N)C#N)C=C(C)O1 391459 XYBUCJYJVULPHW-UHFFFAOYSA-N 172.187 2.168 50 50 AEGA O=C(Cl)CCCCCl 1736654 SVNNWKWHLOJLOK-UHFFFAOYSA-N 155.024 2.161 50 50 AEGA in-vitro COc1ccc(CN=C=S)cc1 2168499 IMFQYAJJXFXVMM-UHFFFAOYSA-N 179.244 2.298 50 50 AEGA endogenous,in-man Cc1ccc(N=C=O)cc1C 2560441 AYCDBMRVKSXYKW-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro Cc1cccnc1CCl 14807832 YRQHBXNPVQOISM-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro CCO[Si]1(OCC)CC=CC1 169905568 ZEXYGAKMGFQRNC-UHFFFAOYSA-N 172.300 2.071 50 50 AEGA COc1ccc(N=C=S)cc1OC 164235 LHPZZVZPOZPDDB-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA in-vitro Cc1cc(/C=C/C#N)cc(C)c1N 34049698 JNRBSZUSHVFWIK-ONEGZZNKSA-N 172.231 2.422 50 50 AEGA in-vitro N#CC=C1CCCC1 5188367 DNAYRSBMBDMJNU-UHFFFAOYSA-N 107.156 2.010 50 50 AEGA Cc1ccccc1C(=O)N=C=S 2528091 RBNGRYSMNUHYCW-UHFFFAOYSA-N 177.228 2.238 50 50 AEGA COc1ccc(CCN=C=S)cc1 3276930 JIZVGEJTLPEYLM-UHFFFAOYSA-N 193.271 2.341 50 50 AEGA in-vitro COC(=O)c1ccc(N=C=S)cc1 4267792 WIZODHILGBTPPA-UHFFFAOYSA-N 193.227 2.208 50 50 AEGA in-vitro CC(=O)/C=C(\C)O[Si](C)(C)C 169876042 FBADCSUQBLLAHW-SOFGYWHQSA-N 172.300 2.331 50 50 AEGA O=C(CBr)c1ccccc1 331704 LIGACIXOYTUXAW-UHFFFAOYSA-N 199.047 2.264 50 50 AEGA in-vitro CC(=O)Nc1ccc(CCl)cc1 2528049 CRHLVANTDHUAOY-UHFFFAOYSA-N 183.638 2.384 50 50 AEGA in-vitro CC[C@@H](C)C/C(=N/NC(N)=O)C(C)C 4948363 JLNSIWYUEWVLLJ-BNAPCTMISA-N 199.298 2.103 50 50 AEGA CCOC(=O)C(C)(C)CCCl 34479597 NTPXZPHIALBTDR-UHFFFAOYSA-N 178.659 2.205 50 50 AEGA Cc1cc(C)cc(N=C=O)c1 164819 DZSGDHNHQAJZCO-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro CCC[C@H](C)C(=O)Cl 2560395 MFIQXAVMTLKUJR-YFKPBYRVSA-N 134.606 2.188 50 50 AEGA in-vitro O=C(CCl)[C@H]1CCC2(CC2)C1 1857781611 MBTCTQHTMVJOOB-ZETCQYMHSA-N 172.655 2.375 50 50 AEGA Fc1ccc2c(c1)C(CCl)=NCC2 35287543 JAWIWYIEZCXHHZ-UHFFFAOYSA-N 197.640 2.410 50 50 AEGA Cn1c(CCl)nc2ccccc21 4707541 WRGVPFAJPMIYOX-UHFFFAOYSA-N 180.638 2.312 50 50 AEGA in-vitro O=C=Nc1c[nH]c2ccccc12 19087881 MOQVAFASDJTQQU-UHFFFAOYSA-N 158.160 2.135 50 50 AEGA in-vitro ClCSCCl 100015242 KRIFIIWBVJKVST-UHFFFAOYSA-N 131.027 2.112 50 50 AEGA in-vitro CC/C=C/CC/C=C/C=O 1531150 HZYHMHHBBBSGHB-DYWGDJMRSA-N 138.210 2.488 50 50 AEGA biogenic,in-vitro ClCc1cc(-c2cccnc2)no1 19090480 GFPUFSQJQLTQQV-UHFFFAOYSA-N 194.621 2.475 50 50 AEGA O=C(CCl)CCc1ccccc1 32007640 AUXNFZYATAMYJU-UHFFFAOYSA-N 182.650 2.427 50 50 AEGA in-vitro [C-]#[N+]Cc1ccc(OC)cc1OC 104394939 HQJIZYJJKXLFQM-UHFFFAOYSA-N 177.203 2.123 50 50 AEGA O=C=Nc1cc(Cl)nc(Cl)c1 162889 OCDFIQXUCLQQHY-UHFFFAOYSA-N 189.001 2.356 50 50 AEGA in-vitro CCc1ccc(CCN=C=O)cc1 2509894 RBYBLAVTEAMCBH-UHFFFAOYSA-N 175.231 2.127 50 50 AEGA ClCCn1cnc2ccccc21 5646948 QSBYLGDMROVERI-UHFFFAOYSA-N 180.638 2.275 50 50 AEGA O=C1OC(=O)c2cccc3cccc1c23 8457049 GRSMWKLPSNHDHA-UHFFFAOYSA-N 198.177 2.150 50 50 AEGA in-vitro O=C(Cl)Cc1ccc(F)cc1 2568300 SIOJFYRPBYGHOO-UHFFFAOYSA-N 172.586 2.134 50 50 AEGA in-vitro O=C=N[C@H]1CCc2ccccc21 2548066 XUEHOPNFOYAYTA-JTQLQIEISA-N 159.188 2.010 50 50 AEGA F[C@H](Cl)c1ccc(Cl)nn1 1775956415 XUBZPRYAVONMEV-YFKPBYRVSA-N 180.997 2.337 50 50 AEGA CC(C)(C)[Si](C)(C)OC[C@H]1CO1 169836532 YANSSVVGZPNSKD-MRVPVSSYSA-N 188.343 2.407 50 50 AEGA O=C(Cl)c1cccs1 2141006 QIQITDHWZYEEPA-UHFFFAOYSA-N 146.598 2.127 50 50 AEGA in-vitro FC(F)O[C@@H](Cl)C(F)(F)F 3812960 PIWKPBJCKXDKJR-PVQJCKRUSA-N 184.491 2.353 50 50 AEGA fda O=C=NC1CCCCCC1 6293128 JCNLHDHXQVZQAM-UHFFFAOYSA-N 139.198 2.045 50 50 AEGA in-vitro O=C=N[C@@H]1CCCc2ccccc21 12957574 OABBXWCERFBLEZ-LLVKDONJSA-N 173.215 2.400 50 50 AEGA ClC/C=C\CCl 51951725 FQDIANVAWVHZIR-UPHRSURJSA-N 124.998 2.020 50 50 AEGA in-vitro FC(F)O[C@H](Cl)C(F)(F)F 3872952 PIWKPBJCKXDKJR-SFOWXEAESA-N 184.491 2.353 50 50 AEGA fda C[C@H](Cl)CCC(=O)Cl 39253172 HCBIDLRKPXILPU-BYPYZUCNSA-N 155.024 2.159 50 50 AEGA Cl[C@H]1C=CCCC1 56961598 LNGQLHZIYFQUIR-LURJTMIESA-N 116.591 2.334 50 50 AEGA in-vitro CCC/C=C/C=C/C=O 1850579 DVVATNQISMINCX-YTXTXJHMSA-N 124.183 2.098 50 50 AEGA endogenous,in-man CC[C@@H](C)CCl 2034412 IWAKWOFEHSYKSI-RXMQYKEDSA-N 106.596 2.271 50 50 AEGA CCCCC(=O)Br 2522835 FDOHPUYPQQKECS-UHFFFAOYSA-N 165.030 2.098 50 50 AEGA O=c1sc2ccccc2n1CCl 2569456 JNONKMUWRWRVRH-UHFFFAOYSA-N 199.662 2.259 50 50 AEGA [C-]#[N+]Cc1ccccc1 59205266 RIWNFZUWWRVGEU-UHFFFAOYSA-N 117.151 2.106 50 50 AEGA in-vitro CSc1cccc(N=C=O)c1 164949 BKJABLMNBSVKCV-UHFFFAOYSA-N 165.217 2.376 50 50 AEGA in-vitro O=C(Cl)c1ccc(F)cc1F 2140809 JSWRVDNTKPAJLB-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA in-vitro O=C(Cl)C(Cl)(Cl)Cl 3875480 PVFOMCVHYWHZJE-UHFFFAOYSA-N 181.833 2.122 50 50 AEGA in-vitro Cc1cc(C(=O)O)ccc1N=C=S 31829468 DQCIFXUOHWQZTC-UHFFFAOYSA-N 193.227 2.428 50 50 AEGA O=C(NCCCl)Nc1ccccc1 1699057 GLAQLBSPTKQTEY-UHFFFAOYSA-N 198.653 2.047 50 50 AEGA O=[N+]([O-])c1ccccc1N=C=S 4269449 CBWJHIXSVFDERH-UHFFFAOYSA-N 180.188 2.329 50 50 AEGA in-vitro CCCC/C=C/C=C/C=O 2029886 ZHHYXNZJDGDGPJ-BSWSSELBSA-N 138.210 2.488 50 50 AEGA in-vitro,metabolite F[C@@H](Cl)C(F)(F)Cl 71872194 YMRMDGSNYHCUCL-PVQJCKRUSA-N 152.930 2.352 50 50 AEGA C[Si](C)(C)Oc1ccco1 169876185 ILBCDLOQMRDXLN-UHFFFAOYSA-N 156.257 2.493 50 50 AEGA in-vitro CCCCCCCCCC(=O)NN 1761896 ROGBVBLYGMXQRO-UHFFFAOYSA-N 186.299 2.117 50 50 AEGA in-vitro O=C=NCCc1cccc(Cl)c1 11802390 KHHQPDLEVHNUJG-UHFFFAOYSA-N 181.622 2.218 50 50 AEGA in-vitro O=C(O)c1ccc(CCCl)cc1 2560458 OOAPBGPLZAFZSO-UHFFFAOYSA-N 184.622 2.166 50 50 AEGA in-vitro CN(CCCl)c1ccc(C=O)cc1 1848485 IYFULQJDHJGQKQ-UHFFFAOYSA-N 197.665 2.174 50 50 AEGA in-vitro O=Cc1cccc(CBr)c1 4200694 OEPGAYXSRGROSQ-UHFFFAOYSA-N 199.047 2.394 50 50 AEGA in-vitro O=C=NC=Cc1cccc(F)c1 1857777881 ZWXDORRYQIBEQL-UHFFFAOYSA-N 163.151 2.132 50 50 AEGA COc1ccc(Cl)cc1N=C=O 164919 CDRZZFCLBUGMMB-UHFFFAOYSA-N 183.594 2.316 50 50 AEGA in-vitro O=C(Cl)Cc1cccs1 2141010 AJYXPNIENRLELY-UHFFFAOYSA-N 160.625 2.056 50 50 AEGA in-vitro Cc1cccc(C)c1N=C=O 1648952 YQLRKXVEALTVCZ-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro Cc1ccc(OCC(=O)Cl)cc1 9245891 VUVSVAJNUZCUFV-UHFFFAOYSA-N 184.622 2.139 50 50 AEGA in-vitro C[C@@H]1CCCCC/C(=N/NC(N)=O)C1 43761591 MUGUGZLJJDDGGH-BNAPCTMISA-N 197.282 2.001 50 50 AEGA CCC/C(C)=C(\C#N)C(=O)OCC 1600382 WSQKZATUBMGUQX-CMDGGOBGSA-N 181.235 2.190 50 50 AEGA [C-]#[N+]Cc1cccc(F)c1 95698095 XLEOEYJEMVWLRB-UHFFFAOYSA-N 135.141 2.245 50 50 AEGA CCCCCl 1586730 VFWCMGCRMGJXDK-UHFFFAOYSA-N 92.569 2.025 50 50 AEGA in-man COC(=O)c1cccc(CCl)c1 3080838 NEXHXAMAIMAABX-UHFFFAOYSA-N 184.622 2.212 50 50 AEGA in-vitro N#CC(C#N)=C/C=C/c1ccco1 1555601 HIXUGQBZGSJHGT-DAFODLJHSA-N 170.171 2.266 50 50 AEGA O=C(Cl)c1ccc(Cl)cc1O 20248536 CCBOXJLPEZRSSA-UHFFFAOYSA-N 191.013 2.425 50 50 AEGA CC(C)OC(=O)O[C@H](C)Cl 21989290 XPTPAIJDVFQPJT-RXMQYKEDSA-N 166.604 2.133 50 50 AEGA in-vitro O=C(Cl)/C=C/c1ccccc1 1680031 WOGITNXCNOTRLK-VOTSOKGWSA-N 166.607 2.465 50 50 AEGA in-vitro O=C(Cl)Cc1ccc(F)c(F)c1 12953105 NHXZDVXZDDNPFM-UHFFFAOYSA-N 190.576 2.273 50 50 AEGA CC(C)(C)[Si](C)(C)OCCCO 169747833 NETUFVYVNJNFMU-UHFFFAOYSA-N 190.359 2.391 50 50 AEGA in-vitro Cc1ccc(C[C@H](O)CCl)cc1 2173505 BGUXQHQYTCAHPJ-JTQLQIEISA-N 184.666 2.137 50 50 AEGA O=C=Nc1cccc(C(=O)Cl)c1 2560439 WBLVOWAHPPPNLF-UHFFFAOYSA-N 181.578 2.033 50 50 AEGA CCOP(=O)(Cl)OCC 72399702 LGTLXDJOAJDFLR-UHFFFAOYSA-N 172.548 2.406 50 50 AEGA in-vitro FC1(F)CC(Br)C1 95644278 YBDREFHEOWCFLV-UHFFFAOYSA-N 170.984 2.179 50 50 AEGA in-vitro [C-]#[N+]Cc1ccc(OC)cc1 95697964 WXZJSVUSIHPSQH-UHFFFAOYSA-N 147.177 2.114 50 50 AEGA in-vitro CN(C)c1ccc(C(=O)Cl)cc1 2560074 UGJDXRVQCYBXAJ-UHFFFAOYSA-N 183.638 2.132 50 50 AEGA in-vitro N#CSc1ccc(N)cc1Cl 16385315 TUHUVPGYYIDKLW-UHFFFAOYSA-N 184.651 2.495 50 50 AEGA in-vitro COC(=O)[C@H]1CCCC[C@H]1CCl 238323244 OLIXVSJKZAIFGZ-YUMQZZPRSA-N 190.670 2.205 50 50 AEGA S=C=Nc1ccc2c(c1)OCCO2 4277236 KALNNFRLHRAJNK-UHFFFAOYSA-N 193.227 2.192 50 50 AEGA in-vitro C[C@H](Cl)CCCl 2039796 QBGVARBIQGHVKR-BYPYZUCNSA-N 127.014 2.243 50 50 AEGA O=C1CCCCC[C@H]1Br 32302438 JFNPFFAEYZRVJS-ZCFIWIBFSA-N 191.068 2.283 50 50 AEGA CN(C(=O)Cl)c1ccccc1 389523 CPGWSLFYXMRNDV-UHFFFAOYSA-N 169.611 2.482 50 50 AEGA C=C(C)CCCl 96331909 LGMPVUDVTHHFDR-UHFFFAOYSA-N 104.580 2.191 50 50 AEGA C[Si](C)(C)OCC1=CC1(F)F 1535645540 ILFMRCRVKSUFMY-UHFFFAOYSA-N 178.254 2.413 50 50 AEGA COc1cccc(CCl)c1 1559804 VGISFWWEOGVMED-UHFFFAOYSA-N 156.612 2.434 50 50 AEGA O=[N+]([O-])c1cccc(CCl)c1F 21981683 VSKUTYKGLMWRNW-UHFFFAOYSA-N 189.573 2.473 50 50 AEGA ClC1[C@H]2C=CC3C=C[C@H]1C32 71785801 FWAUCCPFOJNTNU-ZFDXQJORSA-N 152.624 2.212 50 50 AEGA C[C@@H](Br)C(=O)C(C)(C)C 39218732 DZHSIOPOJHOGKT-RXMQYKEDSA-N 193.084 2.385 50 50 AEGA in-vitro F[C@@H](Cl)C(F)(F)F 59977865 BOUGCJDAQLKBQH-PVQJCKRUSA-N 136.475 2.083 50 50 AEGA CN(C)P(Cl)c1ccccc1 101772497 XAMVYCVKUOBKPW-UHFFFAOYSA-N 187.610 2.424 50 50 AEGA CO[Si](C)(CC(C)C)OC 195767142 JUESRADRPFMUCL-UHFFFAOYSA-N 162.305 2.007 50 50 AEGA O=C(O)c1ccc(N=C=S)c(F)c1 31829461 YOQBEQMTKJLYCX-UHFFFAOYSA-N 197.190 2.258 50 50 AEGA CC1(C)C(C(=O)Cl)C1(C)C 85709974 PAPVPNRFJQMQLS-UHFFFAOYSA-N 160.644 2.434 50 50 AEGA in-vitro Cc1ccccc1NC(=O)CCl 163427 LPMANECYGPQBOX-UHFFFAOYSA-N 183.638 2.172 50 50 AEGA in-vitro ClCCN1CCCCCC1 1621021 FEZWHSLWYVTEDN-UHFFFAOYSA-N 161.676 2.101 50 50 AEGA in-vitro C[Si](C)(C)OCCCl 170173119 SJIIMFTWFNLSKY-UHFFFAOYSA-N 152.697 2.077 50 50 AEGA Cc1ccc(C=C(C#N)C#N)o1 43639 LYDFGOIVNORMMX-UHFFFAOYSA-N 158.160 2.019 50 50 AEGA N#Cc1cccc(N=C=S)c1 2390086 UXCYPHCFQAFVFH-UHFFFAOYSA-N 160.201 2.293 50 50 AEGA in-vitro C[C@H](N)CO[Si](C)(C)C(C)(C)C 195962089 KSYYTARALLSQRH-QMMMGPOBSA-N 189.375 2.355 50 50 AEGA Cc1ccc(NC(=O)CCl)cc1C 1768403 XFHKJXKFJYKUQX-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA CCN(CC)C(F)(F)[C@@H](F)Cl 19616165 BDZHKUAKSMWSAJ-RXMQYKEDSA-N 189.608 2.455 50 50 AEGA FC(F)OC(F)(F)[C@@H](F)Cl 3812964 JPGQOUSTVILISH-PVQJCKRUSA-N 184.491 2.353 50 50 AEGA world COc1ccccc1N=C=S 167269 QKAOOWJWWKWWOZ-UHFFFAOYSA-N 165.217 2.430 50 50 AEGA O=C(Cl)c1cccc(F)c1 1995213 SYVNVEGIRVXRQH-UHFFFAOYSA-N 158.559 2.205 50 50 AEGA ClCCc1cn2ccccc2n1 34726170 IPDKTIYNQLTIGA-UHFFFAOYSA-N 180.638 2.116 50 50 AEGA Cc1ccc(C(=O)CCl)s1 4206206 IQLSTLPOEOWEOC-UHFFFAOYSA-N 174.652 2.478 50 50 AEGA in-vitro O=C1[C@H]2C[C@H]3C[C@@H](C2)[C@@H](Cl)[C@H]1C3 230105267 VWRCUEUBWJRNRQ-QMGXLNLGSA-N 184.666 2.229 50 50 AEGA C[C@H](CCl)O[C@H](C)CCl 154448 QCFYJCYNJLBDRT-PHDIDXHHSA-N 171.067 2.258 50 50 AEGA in-vitro CC(C)=CCC(C)(C)/C=N/NC(N)=O 2255738 RYKCGRCUMVCFQM-KPKJPENVSA-N 197.282 2.023 50 50 AEGA O=C(Cl)c1c(F)cccc1F 2140810 QRHUZEVERIHEPT-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA O=C(Cl)c1ccccc1F 2022413 RAAGZOYMEQDCTD-UHFFFAOYSA-N 158.559 2.205 50 50 AEGA in-vitro [C-]#[N+]CCc1ccc(F)cc1 95698087 QPHTVJAWYCEJSG-UHFFFAOYSA-N 149.168 2.287 50 50 AEGA O=CC1=C(Cl)/C(=C\O)CCC1 113529753 JWUQFQYYMGMPKE-XQRVVYSFSA-N 172.611 2.304 50 50 AEGA ClCCCN1CCCCCC1 1598044 HBOZHTSTTRVJNT-UHFFFAOYSA-N 175.703 2.491 50 50 AEGA in-vitro O=C(Cl)c1cccnc1Cl 2169157 RXTRRIFWCJEMEL-UHFFFAOYSA-N 176.002 2.114 50 50 AEGA in-vitro CC1=C(C#N)C(C)(C)C(C#N)=C(C)N1 19899053 AMLKEWGNDHITHK-UHFFFAOYSA-N 187.246 2.211 50 50 AEGA CCNC(=O)c1cccc(CCl)c1 36929932 JGICYZUMDZPKIT-UHFFFAOYSA-N 197.665 2.175 50 50 AEGA CCOc1ccccc1C(=O)Cl 2565981 MDKAAWDKKBFSTK-UHFFFAOYSA-N 184.622 2.464 50 50 AEGA in-vitro O=C=Nc1cccc(Br)c1 164768 VQVBCZQTXSHJGF-UHFFFAOYSA-N 198.019 2.416 50 50 AEGA in-vitro O=P1(Cl)CC=CC1 135883638 IUCZQRYUSYLIID-UHFFFAOYSA-N 136.518 2.073 50 50 AEGA O=C(Cl)Cc1c(F)cccc1F 2574153 MQYPWHKXTAYWIT-UHFFFAOYSA-N 190.576 2.273 50 50 AEGA in-vitro COP(Cl)Cl 45328499 HCSDJECSMANTCX-UHFFFAOYSA-N 132.914 2.337 50 50 AEGA in-vitro CC(=O)/C(C#N)=C/c1ccc(C)o1 2546524 BWFMGDSFKBBITO-WEVVVXLNSA-N 175.187 2.084 50 50 AEGA CN(C)/C=C(\C#N)c1cccs1 12341197 TVIDDBIVPKWZNG-BQYQJAHWSA-N 178.260 2.174 50 50 AEGA in-vitro CCC(CC)[C@H](C)N=C=O 82634514 GJVBNCQYKLNBSP-ZETCQYMHSA-N 141.214 2.147 50 50 AEGA ClCc1noc(-c2ccccc2)n1 165212 VEIXFEJMHJPUBS-UHFFFAOYSA-N 194.621 2.475 50 50 AEGA in-vitro C[Si](C)(C)O[C@H]1CCCCC1=O 169837338 DAIJNECAXNWSMF-VIFPVBQESA-N 186.327 2.350 50 50 AEGA CCOC(=O)c1ccc(CCl)o1 155122 JBACYJRMCXLIQU-UHFFFAOYSA-N 188.610 2.195 50 50 AEGA in-vitro [C-]#[N+][C@@H](C(=O)OC(C)(C)C)C(C)C 95697994 WEQOFVFTJQSFPM-MRVPVSSYSA-N 183.251 2.272 50 50 AEGA N#CSCc1ccccc1[N+](=O)[O-] 2144043 SHJGYANAAZYMGZ-UHFFFAOYSA-N 194.215 2.309 50 50 AEGA CC(C)=CCCl 2040420 JKXQKGNGJVZKFA-UHFFFAOYSA-N 104.580 2.191 50 50 AEGA Cc1ccc(NC=C(C#N)C#N)cc1 143708 FODZHTYRCQLAPG-UHFFFAOYSA-N 183.214 2.338 50 50 AEGA Cc1nc(CBr)cs1 38804244 HCPDMNGEYVWAAY-UHFFFAOYSA-N 192.081 2.346 50 50 AEGA Cc1cccc(CBr)n1 15932735 WJFDCFHWFHCLIW-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA in-vitro Nc1ccc2oc(CCl)nc2c1 84767841 RNDNJFRTXVPYJH-UHFFFAOYSA-N 182.610 2.149 50 50 AEGA in-vitro ClCc1cn2ccsc2n1 20272873 ARUYSNCZGGNUCN-UHFFFAOYSA-N 172.640 2.135 50 50 AEGA CC(C)SC(=O)Cl 39471991 RQBXSTFDPJDJDH-UHFFFAOYSA-N 138.619 2.487 50 50 AEGA O=C1OC(=O)c2c1ccc1ccccc21 100037962 IDVDAZFXGGNIDQ-UHFFFAOYSA-N 198.177 2.150 50 50 AEGA in-vitro N#C/C=C/c1ccccc1[N+](=O)[O-] 2002898 PYFAAUHTCQDTSQ-HWKANZROSA-N 174.159 2.132 50 50 AEGA C/C=C(\OC)O[Si](C)(C)C 195991460 RTHAKVSHSCPUGI-VOTSOKGWSA-N 160.289 2.346 50 50 AEGA in-vitro CCCCSC#N 1576854 HXNXAEYAXNPLHJ-UHFFFAOYSA-N 115.201 2.001 50 50 AEGA FC(F)C(F)(F)CBr 1482153 YVWGMAFXEJHFRO-UHFFFAOYSA-N 194.953 2.282 50 50 AEGA in-vitro BrCCCn1cccc1 2556776 IXIXPLRTYIMRMC-UHFFFAOYSA-N 188.068 2.273 50 50 AEGA in-vitro ClC[C@@H]1COc2ccccc2O1 4277227 AYPKYQSHFKQVDL-SSDOTTSWSA-N 184.622 2.065 50 50 AEGA in-vitro O=C(Cl)c1cc(F)c(F)c(F)c1 2575052 YRUNCQNKZIQTEO-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro O=[N+]([O-])c1ccc(O)c(CCl)c1 12402894 PJNPZIYGODMAQE-UHFFFAOYSA-N 187.582 2.039 50 50 AEGA in-vitro FC(F)=CCCCl 72265614 HFOJHYWCUHUJPG-UHFFFAOYSA-N 126.533 2.396 50 50 AEGA in-vitro BrCc1cnsc1 168348428 WWRBPGFTINAXOE-UHFFFAOYSA-N 178.054 2.038 50 50 AEGA Cc1cc(C(=O)CCl)cc(C)c1O 169958 FKCAOMADEYRKQQ-UHFFFAOYSA-N 198.649 2.431 50 50 AEGA in-vitro [C-]#[N+][C@H](C(=O)OC(C)(C)C)C(C)C 95697993 WEQOFVFTJQSFPM-QMMMGPOBSA-N 183.251 2.272 50 50 AEGA [C-]#[N+]Cc1ccc(OC)c(OC)c1 103491832 QNVIXLCXKMMQGO-UHFFFAOYSA-N 177.203 2.123 50 50 AEGA COc1ccccc1OC(=O)Cl 403372 VDLQSPNQAVRJND-UHFFFAOYSA-N 186.594 2.433 50 50 AEGA in-vitro O=C(Cl)Oc1ccccc1 388419 AHWALFGBDFAJAI-UHFFFAOYSA-N 156.568 2.424 50 50 AEGA O=C(CCCl)Oc1ccccc1 1847226 RAFRTSDUWORDLA-UHFFFAOYSA-N 184.622 2.221 50 50 AEGA in-vitro CCCSSC 2038818 PUCHCUYBORIUSM-UHFFFAOYSA-N 122.258 2.408 50 50 AEGA endogenous,in-man Fc1ccccc1CN=C=S 2168970 HHJNPMOABDDXEL-UHFFFAOYSA-N 167.208 2.429 50 50 AEGA in-vitro COc1ccc(/C=C/C(=O)Cl)cc1 2579131 CGOJOQBYEAVATL-QPJJXVBHSA-N 196.633 2.474 50 50 AEGA in-vitro Cc1cccn2cc(CCl)nc12 3888228 JMNFYFVRZBKRMY-UHFFFAOYSA-N 180.638 2.382 50 50 AEGA in-vitro S=C=NCc1ccccc1 1529592 MDKCFLQDBWCQCV-UHFFFAOYSA-N 149.218 2.289 50 50 AEGA endogenous,world Cc1ccc(CCl)cn1 37390090 ZDEBRYJZUMDNFA-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro Cc1nc(C)c(CCl)s1 32914947 MUJKKGTZMLWMIH-UHFFFAOYSA-N 161.657 2.499 50 50 AEGA in-vitro Cc1cnccc1CBr 238544182 ZALFRINWCREJLP-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA O=C(CCl)C1(F)CCCCC1 1857780893 ZFBDPKWEUAZUDM-UHFFFAOYSA-N 178.634 2.467 50 50 AEGA CC[C@H](C)OC(=O)C(Cl)Cl 5599275 IQYVZHJFEAIITM-BYPYZUCNSA-N 185.050 2.132 50 50 AEGA O=C=NC1C2CC3CC(C2)CC1C3 15441983 VHQIDCCICPFCOG-UHFFFAOYSA-N 177.247 2.147 50 50 AEGA ClCc1nc(-c2ccccc2)no1 580813 XMSYUUPMPGDIOE-UHFFFAOYSA-N 194.621 2.475 50 50 AEGA in-vitro CC(C)c1cc(N=C=S)n(C)n1 71792214 HATIOJUWSJJSRJ-UHFFFAOYSA-N 181.264 2.278 50 50 AEGA CC(C=O)=Cc1ccccc1 1857742984 VLUMOWNVWOXZAU-UHFFFAOYSA-N 146.189 2.289 50 50 AEGA Cc1csc(CCl)n1 11764196 IWIQIVZFDMPNNR-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA in-vitro COC(=O)[C@@H](Cl)c1ccccc1 2168479 XOIOYHPJZJLTGK-QMMMGPOBSA-N 184.622 2.140 50 50 AEGA in-vitro Cc1ccc(C(=O)Cl)s1 2504560 DJCGIWVUKCNCAT-UHFFFAOYSA-N 160.625 2.436 50 50 AEGA in-vitro O=C(O)[C@@H](Cl)[C@H]1C[C@H]2CC[C@H]1C2 100811970 ZPMDCMFQFOOYLS-XAMCCFCMSA-N 188.654 2.115 50 50 AEGA BrC1C2(CC2)C12CC2 136741202 IRNVEDVKVDVSPH-UHFFFAOYSA-N 173.053 2.324 50 50 AEGA COc1ccc(C(=O)Cl)cc1 1760816 MXMOTZIXVICDSD-UHFFFAOYSA-N 170.595 2.074 50 50 AEGA in-vitro C=C(C#N)[C@H](O)c1ccc(Cl)cc1 19835446 JYCZGEVNRFSAQJ-JTQLQIEISA-N 193.633 2.453 50 50 AEGA CC(C)(C)COC(=O)Cl 403127 JUUBFHLPTCPVBO-UHFFFAOYSA-N 150.605 2.408 50 50 AEGA in-vitro ClC[C@H]1COc2cscc2O1 39135196 UOXHKOVMJCKBOG-YFKPBYRVSA-N 190.651 2.127 50 50 AEGA CC(C)(C)C(=O)OC(=O)C(C)(C)C 45331642 PGZVFRAEAAXREB-UHFFFAOYSA-N 186.251 2.148 50 50 AEGA in-vitro O=C(CCl)c1ccc2c(c1)CCO2 5000136 HQFACNABSBZAFM-UHFFFAOYSA-N 196.633 2.043 50 50 AEGA in-vitro N#CSCC(=O)c1ccc(F)cc1 2388617 QPMSZJFCYAQUDO-UHFFFAOYSA-N 195.218 2.223 50 50 AEGA Cc1ccc(SC#N)c([N+](=O)[O-])c1 3164730 FOUCYKKDWSELGL-UHFFFAOYSA-N 194.215 2.476 50 50 AEGA CC(=O)CCCCCC(=O)Cl 201472578 NDPIRVVPELSWQJ-UHFFFAOYSA-N 176.643 2.291 50 50 AEGA C#CCCCCCl 1705538 ZUKOCGMVJUXIJA-UHFFFAOYSA-N 116.591 2.029 50 50 AEGA in-vitro C[C@H](Cl)OC(=O)O[C@H](C)Cl 114211407 MZFKWPWFMYRWPP-QWWZWVQMSA-N 187.022 2.309 50 50 AEGA COc1ccc(C=O)cc1CCl 341087 LNKDOOILNUKDMI-UHFFFAOYSA-N 184.622 2.247 50 50 AEGA in-vitro CC(C)(C)OC(=O)NN=C1CCCC1 4934224 JIWAYUZEWSSBRC-UHFFFAOYSA-N 198.266 2.441 50 50 AEGA in-vitro O=C(CCl)c1ccc2c(c1)CCN2 31947543 GFXJYMZKLOKHRC-UHFFFAOYSA-N 195.649 2.076 50 50 AEGA F[C@H](Br)C(F)(F)F 40135788 RZXZIZDRFQFCTA-SFOWXEAESA-N 180.926 2.239 50 50 AEGA in-man O=C(Cl)CCCCBr 2560396 OKRUMSWHDWKGHA-UHFFFAOYSA-N 199.475 2.317 50 50 AEGA in-vitro C=C(C)CCI 115611432 WOMUECWVNKNZEP-UHFFFAOYSA-N 196.031 2.388 50 50 AEGA N#CSc1cccc(F)c1[N+](=O)[O-] 604221667 PPNIVPQRXGDGAX-UHFFFAOYSA-N 198.178 2.307 50 50 AEGA O=C=Nc1ccc(F)c(F)c1F 152315 LSKOUPSEWMJCEP-UHFFFAOYSA-N 173.093 2.071 50 50 AEGA COc1cccc(C(=O)Cl)c1F 16159886 ZMPICCMPENQNFS-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA in-vitro O=C(CCl)[C@H]1CC12CCCC2 1857784971 AHGTVLBVSJOKFA-SSDOTTSWSA-N 172.655 2.375 50 50 AEGA O=C=Nc1cccc(OC(F)F)c1 20281729 WCNRANVVUWBYON-UHFFFAOYSA-N 185.129 2.255 50 50 AEGA in-vitro CC(C)(C(=O)Cl)C(F)(F)F 98214274 FDLKHHYXFFZRSN-UHFFFAOYSA-N 174.549 2.340 50 50 AEGA O[C@@H]1CC[C@]23C=CC[C@@H]2C[C@@H](Cl)[C@H]13 257358550 VCULKPIFGQWUOO-ISUQUUIWSA-N 198.693 2.331 50 50 AEGA CC(=O)NN=C1CCCCCCC1 477949 ZQUPIVUUKILSBY-UHFFFAOYSA-N 182.267 2.223 50 50 AEGA CC(C)[C@@H](C)N=C=S 87728043 YAVRRVJBEIYPRH-ZCFIWIBFSA-N 129.228 2.134 50 50 AEGA in-vitro CC1(C)C[C@H]1Br 118841046 JFZZKSOCMDLXPF-SCSAIBSYSA-N 149.031 2.180 50 50 AEGA Cc1csc(N=C=O)c1 4200662 HFCFFLWPIFNGCX-UHFFFAOYSA-N 139.179 2.024 50 50 AEGA in-vitro CC(C)(CCl)CCl 2579140 KTWNITKLQPCZSL-UHFFFAOYSA-N 141.041 2.490 50 50 AEGA in-vitro C[C@@H]1CCC[C@@H](C)N1C(=O)CCl 3319639 ALKATUXKHCBMPD-HTQZYQBOSA-N 189.686 2.015 50 50 AEGA in-vitro COc1ccc(F)cc1C(=O)Cl 38529834 HYILYIULOHATGI-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA O=C(Cl)N1CCC(F)(F)CC1 104454212 RPHJHOPWXUSUTF-UHFFFAOYSA-N 183.585 2.076 50 50 AEGA ClCc1ccc(-n2nccn2)cc1 141983778 ISPMNMMLLQDSDT-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA O=C=NC1CCCCCCC1 12957543 QYKPRMWZTPVYJC-UHFFFAOYSA-N 153.225 2.435 50 50 AEGA O=C(Cl)Cc1cc(F)ccc1F 2574154 LQGHDMOEOHWRGX-UHFFFAOYSA-N 190.576 2.273 50 50 AEGA N#CSCC(=O)c1cccs1 5945307 IUIZVMMQXBXFLR-UHFFFAOYSA-N 183.257 2.145 50 50 AEGA ClCc1nnc(-c2ccccc2)o1 347152 AGLNTFQAHIRTFA-UHFFFAOYSA-N 194.621 2.475 50 50 AEGA Cc1ccc(OCC(=O)Cl)c(C)c1 9245893 XJEVVWZVAMVWKS-UHFFFAOYSA-N 198.649 2.448 50 50 AEGA in-vitro F[C@@H](Cl)[C@@H](F)Cl 95682155 IDSKMUOSMAUASS-JCYAYHJZSA-N 134.940 2.055 50 50 AEGA CCOC(CCCCl)OCC 1621730 JGGRHRMHOUWCDX-UHFFFAOYSA-N 180.675 2.405 50 50 AEGA in-vitro Cc1ccccc1C(=O)Cl 1845514 GPZXFICWCMCQPF-UHFFFAOYSA-N 154.596 2.374 50 50 AEGA C=C[C@H](Cl)CCl 1850204 XVEASTGLHPVZNA-BYPYZUCNSA-N 124.998 2.019 50 50 AEGA CO[C@H](C(=O)Cl)c1ccccc1 2574166 KUKSPRRZVLBAEX-QMMMGPOBSA-N 184.622 2.140 50 50 AEGA C[Si](C)(CCl)CCl 170155528 TVRFAOJPBXYIRM-UHFFFAOYSA-N 157.116 2.251 50 50 AEGA in-vitro N#C/C(=C\O)c1ccccc1 100112367 GQNBRISQKUALEP-VQHVLOKHSA-N 145.161 2.109 50 50 AEGA in-vitro COc1cc(CCl)cc(C)n1 95762001 WKFBNBJLPZFJKL-UHFFFAOYSA-N 171.627 2.137 50 50 AEGA C[Si](C)(C)O[C@@H]1CCCCC1=O 169837336 DAIJNECAXNWSMF-SECBINFHSA-N 186.327 2.350 50 50 AEGA O=C(CCl)[C@@H]1CC12CCCC2 1857784972 AHGTVLBVSJOKFA-ZETCQYMHSA-N 172.655 2.375 50 50 AEGA O=[N+]([O-])c1cccc(O)c1CCl 22015537 NTFSGIHEOXRTIB-UHFFFAOYSA-N 187.582 2.039 50 50 AEGA N#CCc1ccccc1CCl 34454931 JPOYHVLCLXDODG-UHFFFAOYSA-N 165.623 2.491 50 50 AEGA ClCc1ccccc1 1586371 KCXMKQUNVWSEMD-UHFFFAOYSA-N 126.586 2.425 50 50 AEGA in-man CC[C@@H](C)I 1586733 IQRUSQUYPCHEKN-SCSAIBSYSA-N 184.020 2.220 50 50 AEGA CC(C)(CBr)C(=O)Cl 1705455 DYSKAZARRBXDNT-UHFFFAOYSA-N 199.475 2.173 50 50 AEGA Cc1cc(SC#N)ccc1O 409898 WEAMLHXSIBDPGN-UHFFFAOYSA-N 165.217 2.274 50 50 AEGA in-vitro CN(C(=O)CCl)C1CCCCC1 2159833 IDPRDGUWSUCLQM-UHFFFAOYSA-N 189.686 2.016 50 50 AEGA in-vitro CC/C(C)=N/NC(=O)OC(C)(C)C 255189874 SRDPPBNJUNAGNM-JXMROGBWSA-N 186.255 2.297 50 50 AEGA O=C(CCl)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1857782564 UWSYFQWKAXCPOQ-XGQMLPDNSA-N 184.666 2.086 50 50 AEGA CCC[C@H](C)Cl 1586304 NFRKUDYZEVQXTE-YFKPBYRVSA-N 106.596 2.414 50 50 AEGA Cc1cccc(OCC(=O)Cl)c1C 9245892 BEYBMBJPVUBCKW-UHFFFAOYSA-N 198.649 2.448 50 50 AEGA in-vitro BrCc1cscn1 20358139 ZEQYITAZUKBNKO-UHFFFAOYSA-N 178.054 2.038 50 50 AEGA O=C(O)Cc1cccc(CCl)c1 21986551 FDDHOTCMBWZKSR-UHFFFAOYSA-N 184.622 2.053 50 50 AEGA in-vitro O=C(O)c1cc(N=C=S)ccc1F 31829463 CIJGKIHJSPOAFQ-UHFFFAOYSA-N 197.190 2.258 50 50 AEGA C[C@H](Cl)C(=O)C#C[Si](C)(C)C 169894352 BTTDLDQGPQGEKS-ZETCQYMHSA-N 188.730 2.064 50 50 AEGA in-vitro Cl[C@H]1COCO[C@@H]1c1ccccc1 71773347 OPNBZWUBRPHXOR-VHSXEESVSA-N 198.649 2.339 50 50 AEGA O=C(Cl)c1coc2c1C(=O)CCC2 149165250 ZDXQTAKHEPQCIC-UHFFFAOYSA-N 198.605 2.178 50 50 AEGA BrCC1CCC1 2390042 FLHFTXCMKFVKRP-UHFFFAOYSA-N 149.031 2.181 50 50 AEGA ClCCNc1nc2ccccc2[nH]1 11535768 YKNALGLNPRIOGR-UHFFFAOYSA-N 195.653 2.214 50 50 AEGA in-vitro [C-]#[N+]Cc1ccc(F)cc1 95698094 DLDWOKWGDHSJOK-UHFFFAOYSA-N 135.141 2.245 50 50 AEGA ClCCCc1ccncc1 13207970 AUGHIHYKUVKATF-UHFFFAOYSA-N 155.628 2.253 50 50 AEGA O=C(CCl)[C@]12CCCC[C@H]1C2 575532872 PFGJYEZCIUMUEG-CBAPKCEASA-N 172.655 2.375 50 50 AEGA Cc1cc(C)nc(CCl)c1 34140441 VYEFLSRYAXMVDI-UHFFFAOYSA-N 155.628 2.437 50 50 AEGA CC[C@H](Cl)CCl 1609554 PQBOTZNYFQWRHU-BYPYZUCNSA-N 127.014 2.243 50 50 AEGA C[C@H](Cl)[C@H](C)Cl 1841377 RMISVOPUIFJTEO-IMJSIDKUSA-N 127.014 2.241 50 50 AEGA CCO[Si](C)(C)CCl 169747809 IGMQAYXTTRYCPZ-UHFFFAOYSA-N 152.697 2.006 50 50 AEGA [C-]#[N+]CCc1cccc(F)c1 95698088 RHCVUJNHSKYURR-UHFFFAOYSA-N 149.168 2.287 50 50 AEGA in-vitro C/C(C=O)=C\c1ccccc1 4501386 VLUMOWNVWOXZAU-VQHVLOKHSA-N 146.189 2.289 50 50 AEGA FC1(F)CC(CCl)C1 238665492 NLYOMNGIMDUMHK-UHFFFAOYSA-N 140.560 2.271 50 50 AEGA CC(C)(C)[Si](C)(C)OCC(=O)O 170020647 XHIMBQWQWUOCEY-UHFFFAOYSA-N 190.315 2.093 50 50 AEGA in-vitro CC(C)CI 1586732 BTUGGGLMQBJCBN-UHFFFAOYSA-N 184.020 2.077 50 50 AEGA in-vitro CP(Cl)Cl 95719238 CDPKWOKGVUHZFR-UHFFFAOYSA-N 116.915 2.406 50 50 AEGA Cc1[nH]c(C=C(C#N)C#N)c(C)c1C 402177 VRFLMOWAOIAOOR-UHFFFAOYSA-N 185.230 2.371 50 50 AEGA CC1(C)COP(=O)(Cl)OC1 100242866 VZMUCIBBVMLEKC-UHFFFAOYSA-N 184.559 2.406 50 50 AEGA CC(C)(C)C1=NN[C@@H](Cl)C=C1 79066130 AXTKVYKJKWKXRR-SSDOTTSWSA-N 172.659 2.113 50 50 AEGA N#CC(C#N)=C(O)c1ccccc1 139763366 DBAYPSSCFJDLNA-UHFFFAOYSA-N 170.171 2.003 50 50 AEGA O=C(Cl)[C@@H]1CC=CCC1 8100892 CXWMHIRIXVNVQN-ZCFIWIBFSA-N 144.601 2.108 50 50 AEGA O=[N+]([O-])c1ccc(CCl)cc1 1700195 KGCNHWXDPDPSBV-UHFFFAOYSA-N 171.583 2.334 50 50 AEGA in-vitro C[C@@H](Cl)[Si](C)(C)C 170159613 UWJVDEZZIPJQRF-YFKPBYRVSA-N 136.698 2.491 50 50 AEGA in-vitro Cc1cc(C(=O)Cl)cc(Cl)n1 2169294 YHKLLTUNTUJQSB-UHFFFAOYSA-N 190.029 2.422 50 50 AEGA in-vitro O=C(Cl)C1CCCCC1 1752310 RVOJTCZRIKWHDX-UHFFFAOYSA-N 146.617 2.332 50 50 AEGA O[C@@H](CCCl)c1ccccc1 160291 JZFUHAGLMZWKTF-VIFPVBQESA-N 170.639 2.349 50 50 AEGA in-vitro O=C(Cl)c1ccc2nsnc2c1 2582858 STVKFABXTFREFG-UHFFFAOYSA-N 198.634 2.070 50 50 AEGA ClCc1cccc(-n2nccn2)c1 71257238 NWOWRRSPNXLMES-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA O[C@@H](CCCl)c1ccc(F)cc1 34111786 GQGPYILQJAINSJ-VIFPVBQESA-N 188.629 2.488 50 50 AEGA FC(F)(F)c1ncc(CCl)cn1 95642173 QNCCVHKEQGKNKQ-UHFFFAOYSA-N 196.559 2.234 50 50 AEGA in-vitro CN(C)c1ccc(C=C(C#N)C#N)cc1 173470 IYNONQVNLZATDK-UHFFFAOYSA-N 197.241 2.183 50 50 AEGA in-vitro COc1ccccc1CN=C=S 2168498 HUYOVUYNRGOCLZ-UHFFFAOYSA-N 179.244 2.298 50 50 AEGA in-vitro Br[C@H]1C=CCCC1 49942691 AJKDUJRRWLQXHM-LURJTMIESA-N 161.042 2.490 50 50 AEGA in-vitro N#CC(C#N)=Cc1ccccc1 165856 WAVNYPVYNSIHNC-UHFFFAOYSA-N 154.172 2.117 50 50 AEGA in-vitro CO/N=C1/C(C)=C(C#N)[C@@H]2[C@H]1C2(C)C 5477049 SHYXYQYPEICEMP-CVFBAYSTSA-N 190.246 2.115 50 50 AEGA O=C=Nc1ccccc1Cl 164828 NOHQUGRVHSJYMR-UHFFFAOYSA-N 153.568 2.307 50 50 AEGA Fc1ccc(CN=C=S)cc1 1841066 LPVNPJMEWWUFHD-UHFFFAOYSA-N 167.208 2.429 50 50 AEGA in-vitro CC1(C)C[C@@H]1Br 118841044 JFZZKSOCMDLXPF-BYPYZUCNSA-N 149.031 2.180 50 50 AEGA C[C@@H](Cl)C(Cl)Cl 2013256 GRSQYISVQKPZCW-UWTATZPHSA-N 147.432 2.417 50 50 AEGA ClCCCO[C@H]1CCCCO1 1724280 QFXXARKSLAKVRL-QMMMGPOBSA-N 178.659 2.159 50 50 AEGA in-vitro CCC[C@@H](C)N=C=S 4269665 SQBOSXLLKLBNSH-ZCFIWIBFSA-N 129.228 2.278 50 50 AEGA in-vitro Fc1cccnc1CBr 71603224 NBVWYLPHVYSPEI-UHFFFAOYSA-N 190.015 2.116 50 50 AEGA in-vitro CCO[C@H](CBr)C1CC1 521399554 ZRRXTABJXKDJNU-SSDOTTSWSA-N 193.084 2.196 50 50 AEGA Cc1ccc(O)c(C(=O)CCl)c1 3045541 PCOICSAGVLNDFL-UHFFFAOYSA-N 184.622 2.122 50 50 AEGA ClCc1cc(Cl)ccn1 21985727 LMYLEZYGXCVCEY-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA O=C=NCCCCc1ccccc1 12957595 WSOBVWCVIBTPPD-UHFFFAOYSA-N 175.231 2.345 50 50 AEGA ClCc1ccc(Cl)nc1 336169 SKCNYHLTRZIINA-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro O=C(Cl)Cc1ccccc1F 2513824 KUMKNGTWQNSAQW-UHFFFAOYSA-N 172.586 2.134 50 50 AEGA in-vitro ClCc1nc2ccccc2[nH]1 88441 SPMLMLQATWNZEE-UHFFFAOYSA-N 166.611 2.302 50 50 AEGA in-vitro BrCCC1CC1 54711057 RIYFONBSYWACFF-UHFFFAOYSA-N 149.031 2.181 50 50 AEGA O=C(Cl)C1(C(F)(F)F)CC1 95836278 UDPCIPDJGNJPBG-UHFFFAOYSA-N 172.533 2.094 50 50 AEGA Cc1nc(CCl)c(C)s1 67425175 UFFPXNDKNOKQGA-UHFFFAOYSA-N 161.657 2.499 50 50 AEGA in-vitro N#Cc1ccc(CCl)cc1 559396 LOQLDQJTSMKBJU-UHFFFAOYSA-N 151.596 2.297 50 50 AEGA in-vitro CN(CCCCCl)C(=O)Cl 2583598 ROURDRSMKIGWKU-UHFFFAOYSA-N 184.066 2.296 50 50 AEGA C[C@@H](Cl)C(=O)Nc1ccccc1 3319064 BWWXKHHVIAJJFM-SSDOTTSWSA-N 183.638 2.252 50 50 AEGA in-vitro N#CSCCCCSC#N 1603704 SDOXAONWZOPJRB-UHFFFAOYSA-N 172.278 2.195 50 50 AEGA CC(C)CCBr 1699877 YXZFFTJAHVMMLF-UHFFFAOYSA-N 151.047 2.427 50 50 AEGA in-vitro ClCc1cc(C2CC2)on1 19093263 OISWOVQSPFYQKZ-UHFFFAOYSA-N 157.600 2.291 50 50 AEGA in-vitro C=C(C)CCBr 71257177 IZMWJUPSQXIVDN-UHFFFAOYSA-N 149.031 2.348 50 50 AEGA C[C@@H](Cl)[C@@H](C)Cl 1841378 RMISVOPUIFJTEO-QWWZWVQMSA-N 127.014 2.241 50 50 AEGA O=C=Nc1cccc(-c2ncccn2)c1 12370557 VGMYIDBUDGAIPE-UHFFFAOYSA-N 197.197 2.111 50 50 AEGA CCC/C=C(/C=O)CC 1680400 PYLMCYQHBRSDND-SOFGYWHQSA-N 126.199 2.322 50 50 AEGA biogenic,in-vitro Cc1ccc(N=C=O)c(C)c1 2560435 QUOBVYPFBJUOAJ-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro CC[C@@H](C)Br 1586728 UPSXAPQYNGXVBF-SCSAIBSYSA-N 137.020 2.180 50 50 AEGA in-vitro O=C(Cl)c1cc(F)c(F)cc1F 4262390 STBGCAUUOPNJBH-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro Cn1nc(CCl)cc1-c1ccco1 12370334 DZUIHVJDKDNADW-UHFFFAOYSA-N 196.637 2.419 50 50 AEGA in-vitro FC(F)(F)CCCl 2040580 ZPIFKCVYZBVZIV-UHFFFAOYSA-N 132.512 2.178 50 50 AEGA in-vitro CCc1nc(CCl)cs1 12505553 CRZPXVXJMFQSOL-UHFFFAOYSA-N 161.657 2.444 50 50 AEGA in-vitro N#Cc1ccc(CBr)cc1 1621442 UMLFTCYAQPPZER-UHFFFAOYSA-N 196.047 2.453 50 50 AEGA biogenic,in-vitro CCCC/C(O)=C/C#N 642882197 AAQFRAQMJJMBDP-ALCCZGGFSA-N 125.171 2.142 50 50 AEGA N#CC(C#N)=Cc1ccc(F)cc1F 283256 OPVPJJVXWIFSCR-UHFFFAOYSA-N 190.152 2.395 50 50 AEGA C=C=CCCI 71786369 LFMGXCRUPFNNGD-UHFFFAOYSA-N 194.015 2.153 50 50 AEGA BrC[C@H]1C[C@@H]2C[C@@H]2C1 250645003 JKZAGFFHXDSOQV-KVSKUHBBSA-N 175.069 2.427 50 50 AEGA in-vitro Cc1ccc(C)c(N=C=O)c1 1555808 SOXVXJQIQVOCAY-UHFFFAOYSA-N 147.177 2.271 50 50 AEGA in-vitro COc1ccc(OC(=O)Cl)cc1 409390 CCFSGQKTSBIIHG-UHFFFAOYSA-N 186.594 2.433 50 50 AEGA in-vitro CC(C)[C@H](C)N=C=S 87728044 YAVRRVJBEIYPRH-LURJTMIESA-N 129.228 2.134 50 50 AEGA in-vitro O=[N+]([O-])c1ccccc1CCl 559406 BXCBUWKTXLWPSB-UHFFFAOYSA-N 171.583 2.334 50 50 AEGA in-vitro Cc1cc(C)cc(NC(=O)CCl)c1 1447976 NKVVUXPLDKVXSM-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA in-vitro CCCO[Si](C)(C)C 170156200 PHPGKIATZDCVHL-UHFFFAOYSA-N 132.279 2.248 50 50 AEGA CC[C@@H](C)CC(=O)Cl 2579132 OGMHLZVDKIJTMN-RXMQYKEDSA-N 134.606 2.188 50 50 AEGA CC[C@H](C)CC(=O)Cl 12359630 OGMHLZVDKIJTMN-YFKPBYRVSA-N 134.606 2.188 50 50 AEGA CCOC(CCCl)OCC 1690015 NXHONHDWVLPPCS-UHFFFAOYSA-N 166.648 2.014 50 50 AEGA in-vitro CN1CCCC[C@@H]1CCCl 2579075 UMYMWCKSANKFPI-MRVPVSSYSA-N 161.676 2.100 50 50 AEGA in-vitro ClCCc1ccccc1 1641679 MNNZINNZIQVULG-UHFFFAOYSA-N 140.613 2.468 50 50 AEGA in-vitro CCOc1ncc(CCl)s1 45205443 KNYAYSXEFVSKQX-UHFFFAOYSA-N 177.656 2.281 50 50 AEGA CCc1cccc(N=C=O)c1 2560443 DNFZCDLEGMEKMI-UHFFFAOYSA-N 147.177 2.216 50 50 AEGA in-vitro ClCc1nnc(-c2ccco2)o1 3888141 ITPFFLTUPKAJHE-UHFFFAOYSA-N 184.582 2.068 50 50 AEGA in-vitro Cc1ncccc1CBr 44608012 CCEUJKKUJAYIAM-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA CCO[C@@H](CC)CBr 70461112 SKTHYBQPQQMKSP-LURJTMIESA-N 181.073 2.196 50 50 AEGA CCC(Cl)Cl 2041253 WIHMGGWNMISDNJ-UHFFFAOYSA-N 112.987 2.200 50 50 AEGA O=C=Nc1cc(Cl)ccc1[N+](=O)[O-] 4979174 PZXSOFNXVDXRLB-UHFFFAOYSA-N 198.565 2.216 50 50 AEGA Cn1ccc2cc(N=C=O)ccc21 12370262 RDQRMCJCROUHOF-UHFFFAOYSA-N 172.187 2.146 50 50 AEGA in-vitro Cc1ccc(C(=O)Cl)cc1[N+](=O)[O-] 2015851 DXMHBBURYDVYAI-UHFFFAOYSA-N 199.593 2.282 50 50 AEGA in-vitro C=C(C#N)[C@@H](O)c1ccc(Cl)cc1 19835449 JYCZGEVNRFSAQJ-SNVBAGLBSA-N 193.633 2.453 50 50 AEGA N#CC1=C[C@@H]2C=C[C@@H]3C[C@H](Cl)[C@H]1[C@@H]32 230118927 XPGDJEIYEMRTGD-WJOISOPKSA-N 191.661 2.496 50 50 AEGA [C-]#[N+]CCc1ccc(OC)c(OC)c1 95698183 FKKDZMFJEOVSSW-UHFFFAOYSA-N 191.230 2.166 50 50 AEGA in-vitro ClC1CCCC1 1747824 NDTCXABJQNJPCF-UHFFFAOYSA-N 104.580 2.168 50 50 AEGA in-vitro CCOC(=O)C1=C(C#N)CC(C)(C)C1 45028044 WLXYQVJZXNGRGY-UHFFFAOYSA-N 193.246 2.190 50 50 AEGA O=C(Cl)CCCCC(=O)Cl 59318032 PWAXUOGZOSVGBO-UHFFFAOYSA-N 183.034 2.078 50 50 AEGA in-vitro CCc1nnc2c(CCl)cccn12 40449844 WXYTUFUDNUYZPV-UHFFFAOYSA-N 195.653 2.031 50 50 AEGA CC(C)(C)CI 1613314 CJTZXIJETZZARD-UHFFFAOYSA-N 198.047 2.468 50 50 AEGA Cc1cccc2c1O[C@H](CCl)CO2 39255504 ZRPXSXSUVACQHL-MRVPVSSYSA-N 198.649 2.374 50 50 AEGA CC(C)(C)C(C#N)=CC#N 1857777526 WGGPUYXDGYTCJX-UHFFFAOYSA-N 134.182 2.006 50 50 AEGA CC[Si](O)(CC)C(C)C 196589084 MCIZETFFSOLIHL-UHFFFAOYSA-N 146.306 2.374 50 50 AEGA in-vitro CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(O)C#N 169615839 BTQHVUOBALCHNI-JMJZKYOTSA-N 179.263 2.087 50 50 AEGA O=C(Cl)c1c(F)cc(F)cc1F 2545260 SIFIJQFBERMWMU-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro N#CSc1ccc(N)c(Cl)c1 3886711 TZBOJMWJGHBCEV-UHFFFAOYSA-N 184.651 2.495 50 50 AEGA in-vitro C[C@H]1Cc2cc(C(=O)Cl)ccc2O1 6679747 NFVVRRDUUSUDKQ-LURJTMIESA-N 196.633 2.389 50 50 AEGA CCCC(=O)N(N)c1cccc(C)c1 757129666 YPQXFUYGHVMDSX-UHFFFAOYSA-N 192.262 2.002 50 50 AEGA O[C@H]1CC[C@]23C=CC[C@H]2C[C@@H](Cl)[C@H]13 43762643 VCULKPIFGQWUOO-OGBGREFGSA-N 198.693 2.331 50 50 AEGA FC1(F)CC(CBr)C1 71261572 CAVNVGJESLKKME-UHFFFAOYSA-N 185.011 2.427 50 50 AEGA in-vitro N#CC1=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@H]32 254700138 FGPAZYJAFJEYOV-JZSSXWJLSA-N 155.200 2.054 50 50 AEGA C#Cc1ccc(C(=O)CCl)cc1 238538233 MANAVHGZJUXPRF-UHFFFAOYSA-N 178.618 2.089 50 50 AEGA ClCCN1CCc2ccccc2C1 31879503 NKIMOCKFPDPYQI-UHFFFAOYSA-N 195.693 2.284 50 50 AEGA biogenic F[C@@H](Cl)C(Cl)Cl 95707650 ORMSTDJYMPIZAO-UWTATZPHSA-N 151.395 2.325 50 50 AEGA in-vitro CC(C)(C)[Si](C)(C)OCCCN 196108490 LNSJAAYIGOFKTA-UHFFFAOYSA-N 189.375 2.357 50 50 AEGA in-vitro CC(=C(C#N)C#N)C(C)C 391583 SZQDVOLRVOUCSJ-UHFFFAOYSA-N 134.182 2.006 50 50 AEGA Cn1ccc(-c2cccc(N=C=O)c2)n1 12370657 TWBLKMXEBFQFKR-UHFFFAOYSA-N 199.213 2.054 50 50 AEGA CCSC(=O)Cl 2033138 QCMHWZUFWLOOGI-UHFFFAOYSA-N 124.592 2.098 50 50 AEGA BrCC#Cc1ccccc1 71773492 RKNCIBMWPVZEAJ-UHFFFAOYSA-N 195.059 2.433 50 50 AEGA in-vitro CCc1ccccc1NC(=O)CCl 1613839 CYMPLBMTRHGDES-UHFFFAOYSA-N 197.665 2.426 50 50 AEGA in-vitro Cc1ccc([S@@](=O)Cl)cc1 100053022 DYYLCPSSSFWEEA-JTQLQIEISA-N 174.652 2.256 50 50 AEGA CC(C)(C)C(=O)C(Cl)Cl 2015499 UDWZXMQIEHAAQT-UHFFFAOYSA-N 169.051 2.405 50 50 AEGA COc1ccccc1CC(=O)Cl 6019253 UPEWDRCXLROYOF-UHFFFAOYSA-N 184.622 2.003 50 50 AEGA in-vitro COc1ccc(SC#N)cc1OC 398888 WYWHPHJEJJOKGT-UHFFFAOYSA-N 195.243 2.277 50 50 AEGA O=C(CCl)[C@@H]1CC[C@@H]2C[C@H]2C1 403752115 PEEDVVAACKZQIS-PRJMDXOYSA-N 172.655 2.231 50 50 AEGA O[C@H]1CC[C@@]23C=CC[C@@H]2C[C@@H](Cl)[C@@H]13 71786390 VCULKPIFGQWUOO-UVOCVTCTSA-N 198.693 2.331 50 50 AEGA N#CC(C#N)=Cc1cccs1 160875 VABTYALPMVDJSR-UHFFFAOYSA-N 160.201 2.179 50 50 AEGA in-vitro Cc1cccc(C(=O)Cl)c1 1627231 YHOYYHYBFSYOSQ-UHFFFAOYSA-N 154.596 2.374 50 50 AEGA in-vitro C=C[C@@H](Cl)CCl 1850206 XVEASTGLHPVZNA-SCSAIBSYSA-N 124.998 2.019 50 50 AEGA CN(C)C(=O)c1cccc(CCl)c1 36379803 IAIVBMDMECTBOB-UHFFFAOYSA-N 197.665 2.127 50 50 AEGA CCCCC[C@H]1O[C@@H]1/C=C/C=O 13433329 HIOMEXREAUSUBP-NDDURPPSSA-N 168.236 2.089 50 50 AEGA endogenous,in-man ClCc1ncccc1Cl 34308440 MNOCTFZHUCINGC-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro C[C@H](CCl)CN1CCCCC1 39375566 VEXKIOOWPFOHQI-SECBINFHSA-N 175.703 2.347 50 50 AEGA C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)CCl 717238954 QXICNDXTYJYJMQ-CWKFCGSDSA-N 172.655 2.086 50 50 AEGA CC(C)C[C@H](N=C=O)C(F)(F)F 85652867 KDEXWYJRBVYGSZ-LURJTMIESA-N 181.157 2.299 50 50 AEGA O[C@@H]1CC[C@]23C=CC[C@@H]2C[C@H](Cl)[C@@H]13 257358551 VCULKPIFGQWUOO-NZHYYXIDSA-N 198.693 2.331 50 50 AEGA CCCCCN=C=S 1845901 SGHJUJBYMSVAJY-UHFFFAOYSA-N 129.228 2.279 50 50 AEGA endogenous,in-man FC(F)(F)SCCl 4531691 CQQRPMWQQUKPMR-UHFFFAOYSA-N 150.552 2.436 50 50 AEGA CC(C)CC(=O)OC(=O)CC(C)C 100009277 FREZLSIGWNCSOQ-UHFFFAOYSA-N 186.251 2.148 50 50 AEGA in-vitro N#CSc1cc(F)ccc1[N+](=O)[O-] 604221507 DCPKRBGIIYCXEK-UHFFFAOYSA-N 198.178 2.307 50 50 AEGA CC(C)(C)c1noc(CCl)n1 12926593 FLQGSJGVOCVQJM-UHFFFAOYSA-N 174.631 2.106 50 50 AEGA in-vitro Cc1ccc(C(=O)CCl)cc1 1673520 HGLJRZYKFVJSEE-UHFFFAOYSA-N 168.623 2.417 50 50 AEGA in-vitro O=C/C=C/c1ccccc1F 21304314 WMSYHZMJKDCFAK-HWKANZROSA-N 150.152 2.038 50 50 AEGA in-vitro N#Cc1cccc(CCl)c1 2583900 WRXVOTDGLNPNND-UHFFFAOYSA-N 151.596 2.297 50 50 AEGA in-vitro COP(=O)(Cl)Cl 95736020 SNVCRNWSNUUGEA-UHFFFAOYSA-N 148.913 2.219 50 50 AEGA in-vitro Cc1nc(F)ccc1CCl 91305953 PIKAGWGNGYFYMV-UHFFFAOYSA-N 159.591 2.268 50 50 AEGA Cc1cnc(Cl)c(C(=O)Cl)c1 224969739 IHVUXAVOHVKFOA-UHFFFAOYSA-N 190.029 2.422 50 50 AEGA CC(C)(C)OC(=O)NCCCCl 14982957 GLGLWGNZBMZWHG-UHFFFAOYSA-N 193.674 2.140 50 50 AEGA in-vitro O=C1[C@H]2C[C@H]3C[C@@H](C2)[C@H](Cl)[C@H]1C3 230105271 VWRCUEUBWJRNRQ-NXRLNHOXSA-N 184.666 2.229 50 50 AEGA O=C=NCc1ccc(Cl)cc1 2526521 OAXSVEFCBLZGCA-UHFFFAOYSA-N 167.595 2.176 50 50 AEGA in-vitro ClCc1ccc2c(c1)OCO2 158546 DWSUJONSJJTODA-UHFFFAOYSA-N 170.595 2.154 50 50 AEGA in-vitro COC(=O)c1ccsc1N=C=S 170347 YTIYSXJOPAFQPW-UHFFFAOYSA-N 199.256 2.269 50 50 AEGA S=C=NCCc1cccs1 8729611 FWEHLMFQLWSMTH-UHFFFAOYSA-N 169.274 2.393 50 50 AEGA in-vitro ClCc1cnc(C2CC2)o1 253183565 LKSIKAIAGZOOJV-UHFFFAOYSA-N 157.600 2.291 50 50 AEGA CC(C)CCCl 1693577 CZHLPWNZCJEPJB-UHFFFAOYSA-N 106.596 2.271 50 50 AEGA N#CC(C#N)=Cc1ccccc1F 392548 XLEWRBXVBOUONK-UHFFFAOYSA-N 172.162 2.256 50 50 AEGA C[Si](C)(C)NO[Si](C)(C)C 169743108 ZAEUMMRLGAMWKE-UHFFFAOYSA-N 177.396 2.177 50 50 AEGA in-vitro CCOc1cccc(C(=O)Cl)c1 2242596 GDBMWSHYPYKDED-UHFFFAOYSA-N 184.622 2.464 50 50 AEGA in-vitro C[B-](C)(C)CI 170163301 YDRHUXSVMWGDTE-UHFFFAOYSA-N 196.848 2.299 50 50 AEGA N#CC(C#N)=Cc1ccc(F)c(F)c1 283250 SVFZPZAJGPBFRS-UHFFFAOYSA-N 190.152 2.395 50 50 AEGA CCC[C@@H](C)Cl 2031654 NFRKUDYZEVQXTE-RXMQYKEDSA-N 106.596 2.414 50 50 AEGA O=C(CCl)N1CCCCCCC1 9596202 UGZHOJOCNQDXKG-UHFFFAOYSA-N 189.686 2.018 50 50 AEGA in-vitro Cn1nc(C2CC2)cc1N=C=S 71792207 JGQAMKGPBCCIQL-UHFFFAOYSA-N 179.248 2.032 50 50 AEGA O=C(Cl)c1ccsc1 2504558 QTWBEVAYYDZLQL-UHFFFAOYSA-N 146.598 2.127 50 50 AEGA in-vitro COc1cccc(/C=C/C#N)c1 5734067 CDGKYGSIBOJVCY-HWKANZROSA-N 159.188 2.232 50 50 AEGA C=C(C)C[S@@](=O)O[Si](C)(C)C 170163397 AVMZLLSHIFLNSJ-JTQLQIEISA-N 192.356 2.078 50 50 AEGA CC(C)OC(=O)O[C@@H](C)Cl 2525161 XPTPAIJDVFQPJT-YFKPBYRVSA-N 166.604 2.133 50 50 AEGA in-vitro CNCCO[Si](C)(C)C(C)(C)C 196277057 GWQLMSTUGJQEAW-UHFFFAOYSA-N 189.375 2.228 50 50 AEGA in-vitro ClCc1ccnc(Cl)c1 16697471 QELZCGMVHLQNSO-UHFFFAOYSA-N 162.019 2.474 50 50 AEGA in-vitro CCCCC[C@@H](C)NC(=O)CCl 1685249 OVPAMQUUIXGWGZ-MRVPVSSYSA-N 191.702 2.310 50 50 AEGA in-vitro CC(C)(F)CBr 2540152 LJNXHUCQQXLSHS-UHFFFAOYSA-N 155.010 2.129 50 50 AEGA in-vitro ICC1CCC1 67175906 FHHQLLOJOKZLST-UHFFFAOYSA-N 196.031 2.222 50 50 AEGA in-vitro N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1 97513 BDTIGNGBIBFXSE-UHFFFAOYSA-N 199.169 2.025 50 50 AEGA in-vitro O=C(O)c1cccc(N=C=S)c1 1684356 PJRBPKOOGLKPFB-UHFFFAOYSA-N 179.200 2.119 50 50 AEGA in-vitro Cc1cccc(OCC(=O)Cl)c1 15014353 PROCECBQSRMMBV-UHFFFAOYSA-N 184.622 2.139 50 50 AEGA in-vitro CO[C@H](CBr)C1CCC1 521398976 HSZQNEYYXIMFCE-SSDOTTSWSA-N 193.084 2.196 50 50 AEGA Cc1ncccc1CCl 39051731 DYINCOADXUUIHA-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro CCOC(=O)C(C#N)=C1CCCCC1 229876 PZAJJZJKRVXKCS-UHFFFAOYSA-N 193.246 2.334 50 50 AEGA in-vitro COc1cccc(CCl)c1OC 2574326 MJRVJLUCLPUZER-UHFFFAOYSA-N 186.638 2.443 50 50 AEGA C[C@@H](NC(=O)CCl)c1ccccc1 1586628 NCGMICUPYDDHPQ-MRVPVSSYSA-N 197.665 2.103 50 50 AEGA in-vitro O=C(Nc1ccccc1)OCCCl 1555341 QYQGDFBVSZVCKQ-UHFFFAOYSA-N 199.637 2.474 50 50 AEGA CSc1ccccc1N=C=O 161606 WQXASSKJZYKJSI-UHFFFAOYSA-N 165.217 2.376 50 50 AEGA in-vitro COc1ccc(OCCCl)cc1 12952231 CAMJRUQPYAEKHX-UHFFFAOYSA-N 186.638 2.313 50 50 AEGA in-vitro CCO[C@H](CC)CBr 70461113 SKTHYBQPQQMKSP-ZCFIWIBFSA-N 181.073 2.196 50 50 AEGA Cn1cc(CCl)c(C(F)(F)F)n1 95616353 URMGRONUSBJXQG-UHFFFAOYSA-N 198.575 2.178 50 50 AEGA in-vitro CC[C@H](C)Br 2041258 UPSXAPQYNGXVBF-BYPYZUCNSA-N 137.020 2.180 50 50 AEGA in-vitro CCOc1ccc(N=C=O)cc1OC 20281733 KEIPTCZQJWWAKE-UHFFFAOYSA-N 193.202 2.061 50 50 AEGA in-vitro Cc1ncsc1CBr 39039122 RJIQVAWENHEGNF-UHFFFAOYSA-N 192.081 2.346 50 50 AEGA O=C(Cl)c1ccc(F)cc1 1847456 CZKLEJHVLCMVQR-UHFFFAOYSA-N 158.559 2.205 50 50 AEGA in-vitro CCOC1(CBr)CCC1 521399039 BRUKMVJLGIIVBO-UHFFFAOYSA-N 193.084 2.341 50 50 AEGA C[C@@H](Br)CCl 2033083 PUJJZGFFAQHYEX-GSVOUGTGSA-N 157.438 2.009 50 50 AEGA O=C1Nc2ccccc2CC[C@H]1Cl 26265832 VOEMRDMQXDUFDU-MRVPVSSYSA-N 195.649 2.179 50 50 AEGA in-vitro CN1CCCC[C@H]1CCCl 15446232 UMYMWCKSANKFPI-QMMMGPOBSA-N 161.676 2.100 50 50 AEGA in-vitro ClCCCN1CCCCC1 1646381 HDDNBUNZJIQDBQ-UHFFFAOYSA-N 161.676 2.101 50 50 AEGA in-vitro O=C(Cl)Cc1ccsc1 2574167 KEYWOCXIPDAGCS-UHFFFAOYSA-N 160.625 2.056 50 50 AEGA in-vitro CCCCC/C=C\C=O 13545910 LVBXEMGDVWVTGY-SREVYHEPSA-N 126.199 2.322 50 50 AEGA endogenous,in-man Cc1cc(F)ccc1N=C=O 62821979 MIMYFVDQCNYWNL-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro Cc1cncc(CBr)c1 39121238 CZALOULBSKSWNH-UHFFFAOYSA-N 186.052 2.285 50 50 AEGA in-vitro COc1cccc(OC)c1N=C=S 20231412 HXXWRRXCLBJOIV-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA in-vitro O=[N+]([O-])c1cc(F)cc(CCl)c1 72187998 RYCSPDIZWBMOTJ-UHFFFAOYSA-N 189.573 2.473 50 50 AEGA in-vitro N#Cc1ccccc1CBr 2140876 QGXNHCXKWFNKCG-UHFFFAOYSA-N 196.047 2.453 50 50 AEGA in-vitro CCc1ccccc1N=C=O 152302 ZVFNUQWYLXXSJM-UHFFFAOYSA-N 147.177 2.216 50 50 AEGA in-vitro C[C@@H](N=C=O)c1ccc(F)cc1 2548056 MUHCZVYPBWOTTJ-SSDOTTSWSA-N 165.167 2.223 50 50 AEGA [C-]#[N+]Cc1cccc(OC)c1 95697965 MSAGVJQUFPGWKN-UHFFFAOYSA-N 147.177 2.114 50 50 AEGA CCOC(=O)C(C#N)=C(CC)CC 1602887 OSEDKDYNLMQYJO-UHFFFAOYSA-N 181.235 2.190 50 50 AEGA in-vitro O=C=Nc1ccccc1CCl 2555143 XTYOTPBIDRGAML-UHFFFAOYSA-N 167.595 2.393 50 50 AEGA C=CCCCI 82880249 GTEUBQCAVFVWBL-UHFFFAOYSA-N 196.031 2.388 50 50 AEGA CC(C)(C)[Si](C)(C)OCC=O 169743407 MEBFFOKESLAUSJ-UHFFFAOYSA-N 174.316 2.207 50 50 AEGA COc1cccc(C(=O)Cl)c1 1995214 RUQIUASLAXJZIE-UHFFFAOYSA-N 170.595 2.074 50 50 AEGA in-vitro O=C=Nc1cccc(Cl)c1F 2509912 SPMPFFGBFMAFOO-UHFFFAOYSA-N 171.558 2.446 50 50 AEGA in-vitro Cc1cc(C)n2cc(CCl)nc2n1 65263 CMDAULOGOZCZQT-UHFFFAOYSA-N 195.653 2.085 50 50 AEGA in-vitro S=C=Nc1ccccc1 164500 QKFJKGMPGYROCL-UHFFFAOYSA-N 135.191 2.421 50 50 AEGA in-vitro C[C@H](Br)CCl 43426897 PUJJZGFFAQHYEX-VKHMYHEASA-N 157.438 2.009 50 50 AEGA CC[C@H](C)CCl 2034413 IWAKWOFEHSYKSI-YFKPBYRVSA-N 106.596 2.271 50 50 AEGA in-vitro BrCC1=CCCC1 79006980 NPTOTGQBAVKSOT-UHFFFAOYSA-N 161.042 2.492 50 50 AEGA in-vitro O=C(Cl)CC1CCCC1 2560067 NILLIUYSJFTTRH-UHFFFAOYSA-N 146.617 2.332 50 50 AEGA in-vitro CC(CCl)CCl 1845969 VENSUTAUIFXSRD-UHFFFAOYSA-N 127.014 2.100 50 50 AEGA C[C@H]1CCC[C@H](C)N1C(=O)CCl 4487623 ALKATUXKHCBMPD-YUMQZZPRSA-N 189.686 2.015 50 50 AEGA in-vitro O=C=Nc1ccc(Cl)cc1[N+](=O)[O-] 4978047 YGIAUMJEBFXUDO-UHFFFAOYSA-N 198.565 2.216 50 50 AEGA Cc1cc(C(=O)Cl)c(C)o1 2559285 RWORXZHVOUPMMM-UHFFFAOYSA-N 158.584 2.275 50 50 AEGA in-vitro C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CCl 717238955 QXICNDXTYJYJMQ-KVPKETBZSA-N 172.655 2.086 50 50 AEGA COc1cc(C(=O)Cl)ccc1C 2528908 BQJLTBKKFLTXKO-UHFFFAOYSA-N 184.622 2.383 50 50 AEGA O=[N+]([O-])c1cccnc1SCl 100034530 WTKQMHWYSBWUBE-UHFFFAOYSA-N 190.611 2.236 50 50 AEGA in-vitro C=CCO[Si](C)(C)C 169744016 MNMVKGDEKPPREK-UHFFFAOYSA-N 130.263 2.024 50 50 AEGA in-vitro Cc1cccc(CCl)n1 15884435 PFQYGHGKTNHYRQ-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro CCOC(F)(F)[C@H](F)Cl 2162113 WOKICPFFJCXEDW-VKHMYHEASA-N 162.538 2.150 50 50 AEGA in-vitro C[C@@H](CCC(=O)Cl)CC(=O)Cl 100351430 YDDUPABDRNKFDU-YFKPBYRVSA-N 197.061 2.324 50 50 AEGA in-vitro C[C@H]1CCC[C@@H](C)N1C(=O)CCl 12409077 ALKATUXKHCBMPD-OCAPTIKFSA-N 189.686 2.015 50 50 AEGA in-vitro CP(=O)(Cl)Cl 60204176 SCLFRABIDYGTAZ-UHFFFAOYSA-N 132.914 2.287 50 50 AEGA in-vitro S=C=Nc1ccc2c(c1)OCO2 158543 UVVSPZKAEJHDCY-UHFFFAOYSA-N 179.200 2.150 50 50 AEGA in-vitro O=C(O)[C@@H](Cl)c1ccccc1 2384914 QKSGIGXOKHZCQZ-ZETCQYMHSA-N 170.595 2.051 50 50 AEGA in-vitro N#CCCCCBr 3860244 NWWWGAKVHCSAEU-UHFFFAOYSA-N 162.030 2.075 50 50 AEGA in-vitro [C-]#[N+][C@H](C)CCC 100167381 AMOPGKXKHYQXDO-ZCFIWIBFSA-N 97.161 2.094 50 50 AEGA Cc1ccc(NC(=O)CCl)cc1 137545 CITIOELQTFSEGI-UHFFFAOYSA-N 183.638 2.172 50 50 AEGA biogenic,in-vitro O=C=Nc1ccc(F)c(Cl)c1 164881 XVIPJBUXMFLHSI-UHFFFAOYSA-N 171.558 2.446 50 50 AEGA O=C(Cl)c1cc(Cl)ccn1 11919354 FYBNFLRGZHGUDY-UHFFFAOYSA-N 176.002 2.114 50 50 AEGA in-vitro FC12CC(CBr)(C1)C2 616569038 LREJOZOABGRTBC-UHFFFAOYSA-N 179.032 2.274 50 50 AEGA Cc1cc(CCl)nc(Cl)n1 687827662 UPMAQXGUKAEFQF-UHFFFAOYSA-N 177.034 2.177 50 50 AEGA CC1(CBr)CSC1 1535641468 GFDVCWXEBQXGBD-UHFFFAOYSA-N 181.098 2.134 50 50 AEGA S=C=NC1CCCCC1 160592 MZSJGCPBOVTKHR-UHFFFAOYSA-N 141.239 2.422 50 50 AEGA in-man CCOC(F)(F)[C@@H](F)Cl 2162112 WOKICPFFJCXEDW-GSVOUGTGSA-N 162.538 2.150 50 50 AEGA in-vitro COc1ccc(CC(=O)Cl)cc1 2545371 CXJOONIFSVSFAD-UHFFFAOYSA-N 184.622 2.003 50 50 AEGA in-vitro Cc1cccc2c1O[C@@H](CCl)CO2 39255505 ZRPXSXSUVACQHL-QMMMGPOBSA-N 198.649 2.374 50 50 AEGA ClCc1ccc(-n2cccn2)nc1 39325628 QVDLCABKNWXXQF-UHFFFAOYSA-N 193.637 2.006 50 50 AEGA in-vitro Cc1ccc(F)c(N=C=O)c1 152310 GLSUJZPVKMKUPJ-UHFFFAOYSA-N 151.140 2.101 50 50 AEGA in-vitro COC(=O)[C@H]1CCCC[C@@H]1CCl 238323089 OLIXVSJKZAIFGZ-SFYZADRCSA-N 190.670 2.205 50 50 AEGA O=C(CCl)NC1CCCCCC1 5382511 VQUSGIJCLFWHDR-UHFFFAOYSA-N 189.686 2.064 50 50 AEGA in-vitro FC(F)C(Cl)Cl 81914746 VLIDBBNDBSNADN-UHFFFAOYSA-N 134.940 2.055 50 50 AEGA in-vitro CC1(C)Cc2ccccc2C(N)=C1C#N 3998070 DCIGSJPKACVERN-UHFFFAOYSA-N 198.269 2.462 50 50 AEGA C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CCl 717238956 QXICNDXTYJYJMQ-ULAWRXDQSA-N 172.655 2.086 50 50 AEGA CCCCBr 2041078 MPPPKRYCTPRNTB-UHFFFAOYSA-N 137.020 2.181 50 50 AEGA in-vitro COC(Cc1ccccc1)=C(C#N)C#N 145942633 JEHLSXYZMHGCMZ-UHFFFAOYSA-N 198.225 2.177 50 50 AEGA C[C@H]1CCC/C(=N/NC(=O)C2CC2)C1 5005853 VBSDETQFZQELRN-UGFBRPNYSA-N 194.278 2.079 50 50 AEGA Cc1scnc1CCl 39134716 PQPUSUPRKZMMFF-UHFFFAOYSA-N 147.630 2.190 50 50 AEGA in-vitro COc1cccc(N=C=S)c1OC 4344265 FSKSRCFNVZOYLO-UHFFFAOYSA-N 195.243 2.438 50 50 AEGA C[C@H](N=C=O)c1ccccc1 2169838 JJSCUXAFAJEQGB-QMMMGPOBSA-N 147.177 2.083 50 50 AEGA in-vitro Cc1cc(O)ccc1C(=O)CCl 5379154 LGOHNLSGYJVCHL-UHFFFAOYSA-N 184.622 2.122 50 50 AEGA Cc1noc(C)c1CCCl 495195 GFRZNPZXWGSTJL-UHFFFAOYSA-N 159.616 2.073 50 50 AEGA in-vitro O=C(Cl)c1ccc(Cl)nc1 2169173 FMEBIWNKYZUWFV-UHFFFAOYSA-N 176.002 2.114 50 50 AEGA in-vitro O=C=Nc1cc([N+](=O)[O-])ccc1Cl 2384730 DZMSHKRHIIDOIZ-UHFFFAOYSA-N 198.565 2.216 50 50 AEGA Cc1ccc(C)c(NC(=O)CCl)c1 2165516 HNZGXKCXAZJSSV-UHFFFAOYSA-N 197.665 2.481 50 50 AEGA CCc1cccc(NC(=O)CCl)c1 3268240 IYOKUEWCRWBQQT-UHFFFAOYSA-N 197.665 2.426 50 50 AEGA in-vitro CC(C)Cc1nc(CCl)no1 12505763 MLTXNTRNFCWCPQ-UHFFFAOYSA-N 174.631 2.007 50 50 AEGA in-vitro C[C@@H](CCl)O[C@H](C)CCl 17263659 QCFYJCYNJLBDRT-OLQVQODUSA-N 171.067 2.258 50 50 AEGA in-vitro F[C@@H]1CC1(CCl)CCl 261508804 XAQZASWTXAUKEG-SCSAIBSYSA-N 157.015 2.192 50 50 AEGA C[C@@H](CCl)O[C@@H](C)CCl 154444 QCFYJCYNJLBDRT-WDSKDSINSA-N 171.067 2.258 50 50 AEGA in-vitro COc1ccc(N=C=S)cc1 167101 VRPQCVLBOZOYCG-UHFFFAOYSA-N 165.217 2.430 50 50 AEGA in-vitro C=C(C)[C@@H]1CC=C(C=O)CC1 1529472 RUMOYJJNUMEFDD-SNVBAGLBSA-N 150.221 2.488 50 50 AEGA in-man,metabolite O=C(Cl)c1ccc2snnc2c1 2383422 VOSTUOLSYXVSND-UHFFFAOYSA-N 198.634 2.070 50 50 AEGA in-vitro ClCc1cc(-c2ccncc2)no1 19090477 HYHWRCJFAXVHAE-UHFFFAOYSA-N 194.621 2.475 50 50 AEGA in-vitro O=[N+]([O-])c1cc(CCl)ccc1F 71791104 ZEANBUCPNMDYES-UHFFFAOYSA-N 189.573 2.473 50 50 AEGA O=C(Cl)c1c(F)ccc(F)c1F 4290163 DMUGJQMADYEWSQ-UHFFFAOYSA-N 194.539 2.483 50 50 AEGA in-vitro CN(C(=O)CCCl)c1ccccc1 6625553 ZOZNUSUQHMUWGY-UHFFFAOYSA-N 197.665 2.278 50 50 AEGA in-vitro ClCc1nc(-c2ccco2)no1 1742569 OJQHUMFLEARHQO-UHFFFAOYSA-N 184.582 2.068 50 50 AEGA in-vitro O=C(Cl)Cc1cccc(F)c1 14000343 SKOMBKMLOHIBTF-UHFFFAOYSA-N 172.586 2.134 50 50 AEGA in-vitro CC[C@@H](C)OC(=O)Cl 2584543 YSMHTFWPDRJCMN-SCSAIBSYSA-N 136.578 2.160 50 50 AEGA in-vitro O=C(CCCl)c1ccccc1 1669834 KTJRGPZVSKWRTJ-UHFFFAOYSA-N 168.623 2.498 50 50 AEGA in-vitro Cc1cnccc1CCl 16948467 CHTNSRLYAFZQOX-UHFFFAOYSA-N 141.601 2.129 50 50 AEGA in-vitro Cl[C@H]1C[C@@H]2CC[C@H]1C2 2534416 PJWBUKHIZPKRJF-VQVTYTSYSA-N 130.618 2.414 50 50 AEGA N#Cc1ccc(C(=O)Cl)c(F)c1 114308016 WUFOPFHPVDSXHL-UHFFFAOYSA-N 183.569 2.076 50 50 AEGA in-vitro CC(C)Cc1noc(CCl)n1 12505440 QLUYYVAGHMXRRR-UHFFFAOYSA-N 174.631 2.007 50 50 AEGA in-vitro COc1ccc(N=C=O)cc1Cl 2389299 XYRDQHNCDBDNSF-UHFFFAOYSA-N 183.594 2.316 50 50 AEGA Cc1cc(C(=O)CCl)ccc1O 39055003 BKFMWOOHKYHNPB-UHFFFAOYSA-N 184.622 2.122 50 50 AEGA O=C=Nc1cc(F)c(F)cc1F 44583869 FNPFGLMBBUHGAT-UHFFFAOYSA-N 173.093 2.071 50 50 AEGA BrCCc1cccnc1 37594037 CKOBWUTTZOFETQ-UHFFFAOYSA-N 186.052 2.019 50 50 AEGA in-vitro O=C(Cl)c1cccc(F)c1F 2584346 CDCFERWURRNLLA-UHFFFAOYSA-N 176.549 2.344 50 50 AEGA in-vitro C[C@H](NC(=O)CCl)c1ccccc1 2168446 NCGMICUPYDDHPQ-QMMMGPOBSA-N 197.665 2.103 50 50 AEGA in-vitro CCC(=O)N[C@@H]1CCCC[C@H]1Cl 5614541 OZZJRKRVHGELNX-HTQZYQBOSA-N 189.686 2.063 50 50 AEGA N#CS[C@H](C#N)Cc1ccccc1 97514 IEHPZQDZKHWGCT-JTQLQIEISA-N 188.255 2.336 50 50 AEGA S=C=N[C@H]1C[C@@H]2CC[C@H]1C2 3882403 RBGDFYZLQKZUCO-CSMHCCOUSA-N 153.250 2.278 50 50 AEGA N#CC(C#N)=Cc1ccccc1[N+](=O)[O-] 46209 QGESGQINLPXOJL-UHFFFAOYSA-N 199.169 2.025 50 50 AEGA in-vitro ClCC12CCCN(CCC1)C2 536948718 MKMUAHJINQVBDS-UHFFFAOYSA-N 173.687 2.101 50 50 AEGA CC1(C)[C@H]2CC=C(C=O)[C@@H]1C2 968031 KMRMUZKLFIEVAO-IUCAKERBSA-N 150.221 2.178 50 50 AEGA endogenous,in-man C/C(Cl)=C\CCl 57988323 WLIADPFXSACYLS-DUXPYHPUSA-N 124.998 2.368 50 50 AEGA FC1(F)C[C@@H]1CCBr 95496186 GPGGLHYJEHBQQJ-BYPYZUCNSA-N 185.011 2.427 50 50 AEGA in-vitro [C-]#[N+]CCc1ccc(OC)cc1 95697957 PDTUZGARTMXQDY-UHFFFAOYSA-N 161.204 2.157 50 50 AEGA CC(C)CCI 2034869 BUZZUHJODKQYTF-UHFFFAOYSA-N 198.047 2.468 50 50 AEGA C/C(=N\NC(N)=O)C1(C)CCCCC1 4992078 QAMNHMVIIKQELU-XYOKQWHBSA-N 197.282 2.001 50 50 AEGA O[C@@H]1CC[C@@]23C=CC[C@@H]2C[C@@H](Cl)[C@@H]13 71786388 VCULKPIFGQWUOO-APLZJWDSSA-N 198.693 2.331 50 50 AEGA CCCCC[C@H]1CC=C(B(O)O)CC1 169903948 FNIVZIHUKLFDQI-JTQLQIEISA-N 196.099 2.305 50 50 AEGA in-vitro CCCCC[C@@H]1CC=C(B(O)O)CC1 169903951 FNIVZIHUKLFDQI-SNVBAGLBSA-N 196.099 2.305 50 50 AEGA in-vitro COP(OC)O[Si](C)(C)C 170154293 HWMXPTIFAGBDIK-UHFFFAOYSA-N 182.232 2.358 50 50 AEGA N#C/C=C/c1ccc(F)cc1 1624976 WVWTVBZOOBKCKI-OWOJBTEDSA-N 147.152 2.362 50 50 AEGA Cc1c(N)ccc(SC#N)c1C 38537367 YPQYOZHALLNFHT-UHFFFAOYSA-N 178.260 2.459 50 50 AEGA in-vitro Cc1noc(C)c1N=C=S 158504 VEJISXGKUSXQBS-UHFFFAOYSA-N 154.194 2.026 50 50 AEGA in-vitro BrC1CCSCC1 34203540 XYXKPHDVGJYKRH-UHFFFAOYSA-N 181.098 2.277 50 50 AEGA O=C1O[C@H](Cl)c2ccccc21 2042857 GHZPDRVHYHFILK-ZETCQYMHSA-N 168.579 2.094 50 50 AEGA in-vitro CN(C)P(=O)(Cl)Cl 95704392 YNHXBEVSSILHPI-UHFFFAOYSA-N 161.956 2.134 50 50 AEGA in-vitro O=C(Cl)c1ccnc(Cl)c1 2557592 NPRZWOJTSGFSBF-UHFFFAOYSA-N 176.002 2.114 50 50 AEGA in-vitro O=C(CCl)[C@]12CCCC[C@@H]1C2 575532867 PFGJYEZCIUMUEG-APPZFPTMSA-N 172.655 2.375 50 50 AEGA COc1cccc(F)c1C(=O)Cl 2510740 YZWKSOYWTHKNLX-UHFFFAOYSA-N 188.585 2.213 50 50 AEGA in-vitro C=CCCCN=C=S 2556867 DBISBKDNOKIADM-UHFFFAOYSA-N 127.212 2.055 50 50 AEGA endogenous,in-man N#CC1=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32 216548542 FGPAZYJAFJEYOV-IFFSRLJSSA-N 155.200 2.054 50 50 AEGA N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1 121573 UQMJZLGIKHAOQZ-UHFFFAOYSA-N 199.169 2.025 50 50 AEGA in-vitro CCc1ccc(NC(=O)CCl)cc1 122855 MNODWERQWKSALS-UHFFFAOYSA-N 197.665 2.426 50 50 AEGA in-vitro O=C(CCl)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1857782562 UWSYFQWKAXCPOQ-QMGXLNLGSA-N 184.666 2.086 50 50 AEGA N#Cc1ccc(F)cc1CCl 82864469 AZFKXOFHBHPDAL-UHFFFAOYSA-N 169.586 2.436 50 50 AEGA CC(C)CCN=C=S 2528121 JATNWMBUDXLMEO-UHFFFAOYSA-N 129.228 2.135 50 50 AEGA endogenous,in-man COc1cccc([C@H](C)N=C=O)c1 2548109 YNWCQMWZIOMQOP-QMMMGPOBSA-N 177.203 2.092 50 50 AEGA CCO[P@](C)(=O)CCCl 22017642 DNSCPXCWAHNMLK-VIFPVBQESA-N 170.576 2.170 50 50 AEGA O[C@@H]1CC[C@@]23C=CC[C@@H]2C[C@H](Cl)[C@@H]13 71786387 VCULKPIFGQWUOO-XXFSISAASA-N 198.693 2.331 50 50 AEGA Cc1ccsc1C=C(C#N)C#N 100305 PFTKOFUCRGBFFD-UHFFFAOYSA-N 174.228 2.487 50 50 AEGA COc1ccccc1OCCCl 5671283 CJHKWIFDLHQWCU-UHFFFAOYSA-N 186.638 2.313 50 50 AEGA in-vitro Cc1nc(CCl)sc1C 33414658 HZAMXRLIALOFOF-UHFFFAOYSA-N 161.657 2.499 50 50 AEGA in-vitro