smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1sc(/C=N/O)cc1Br 95077 WGPZRBKGAQMQCD-FPYGCLRLSA-N 236.090 2.327 30 30 BEEC CC(=O)Nc1ccc([C@@H](C)C#N)cc1[N+](=O)[O-] 95934868 BARXMUDXRCAMLP-ZETCQYMHSA-N 233.227 2.180 30 30 BEEC N#Cc1c(F)ccc(Br)c1N 131875159 ILPWXUZYFTWFRQ-UHFFFAOYSA-N 215.025 2.042 30 30 BEEC C#C[C@H](O)c1cccc(C(F)(F)F)c1 39405001 VBSWZRQVLSTNJR-VIFPVBQESA-N 200.159 2.372 30 30 BEEC in-vitro N#Cc1cc(C(F)(F)F)ccc1C(=O)O 74942608 YQFNCIRXMGQFLW-UHFFFAOYSA-N 215.130 2.275 30 30 BEEC CC(=NO)c1c(C)nc2cc(C)ccn12 254313256 QQZQHRIZIKATNW-UHFFFAOYSA-N 203.245 2.149 30 30 BEEC CCOC(=O)[C@H](C#N)c1cncc2ccccc12 44197570 WAKMXXMRJZAELC-GFCCVEGCSA-N 240.262 2.405 30 30 BEEC CON=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 254701358 WJLRCPSXMPPQIV-UHFFFAOYSA-N 249.270 2.175 30 30 BEEC C[C@@H]1C[C@@H](S)CN1C(=O)OC(C)(C)C 200474182 HBKAPPHVTBDWEM-HTQZYQBOSA-N 217.334 2.314 30 30 BEEC OCC#Cc1ccc(Cl)cc1Cl 22203472 JGWPOWBACBDELD-UHFFFAOYSA-N 201.052 2.337 30 30 BEEC in-vitro N#CCc1cc(Br)c(F)cn1 306943456 VVAFBRWTFVUSHK-UHFFFAOYSA-N 215.025 2.049 30 30 BEEC Cc1cccc2c1C(=O)C(=O)C1=C2OC[C@H]1C 32222782 PLZWGTSUJCYDKC-MRVPVSSYSA-N 228.247 2.138 30 30 BEEC CCCCCCCO[C@H](C)C(=O)C=O 100314205 IBBSMXUZKRPJRG-SNVBAGLBSA-N 200.278 2.130 30 30 BEEC COc1ccc(-c2c[nH]c(N)c2C#N)cc1OC 71610365 IOLFBGIMWOXQJO-UHFFFAOYSA-N 243.266 2.153 30 30 BEEC C#CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 95761041 NHWWHIAYSRTQOJ-JTQLQIEISA-N 209.289 2.267 30 30 BEEC CC(=O)CC[C@H]1C(=O)[C@@H]([C@@H](C)C=O)CC[C@@H]1C 96030895 RTBJZMMNKXQFDB-YRRQLQLVSA-N 238.327 2.422 30 30 BEEC in-vitro CS/C(=N\N)NC12CC3CC(CC(C3)C1)C2 4342950 GYSYBBZNIBNVES-UHFFFAOYSA-N 239.388 2.138 30 30 BEEC CC(=O)/C=C/[C@H]1C(C)=CC[C@H](O)C1(C)C 223665825 HEGYTNOVZBKKAI-KZQRZKTQSA-N 208.301 2.485 30 30 BEEC CC(=NOC(=O)c1cccs1)c1cnccn1 254487676 RDOKZRNNAUDKJQ-UHFFFAOYSA-N 247.279 2.119 30 30 BEEC N#Cc1c(Cl)cccc1N1CCOCC1 139159 UAQGIIVRECJHSJ-UHFFFAOYSA-N 222.675 2.048 30 30 BEEC C=CCc1c(CCC)[nH]c(=S)[nH]c1=O 18129679 XHPOXJQBIJTGCE-UHFFFAOYSA-N 210.302 2.113 30 30 BEEC C#CC[C@@H]1CCCN1C(=O)OC(C)(C)C 71624667 JGDWMYNRMVUNMO-SNVBAGLBSA-N 209.289 2.409 30 30 BEEC C=C1C(=O)N(Cc2ccccc2)[C@@H]1CC 39075352 QRCREAIICUYNCD-GFCCVEGCSA-N 201.269 2.364 30 30 BEEC O/N=C(/Nc1ccccc1F)c1cccnc1 6528559 LCNARPRWTLJCEV-UHFFFAOYSA-N 231.230 2.469 30 30 BEEC N#Cc1ccc(N2CCSCC2)cc1[N+](=O)[O-] 168018 OWXWZXOVVMNNEC-UHFFFAOYSA-N 249.295 2.020 30 30 BEEC C=CC[C@@]1(CO)CCCN1C(=O)OC(C)(C)C 34582203 HSFGAYNBAQCKHM-ZDUSSCGKSA-N 241.331 2.325 30 30 BEEC C#CCN[C@@H](C)c1cccc(C(=O)OCC)c1 1772820826 ZQSMEUAJQLVMQC-NSHDSACASA-N 231.295 2.147 30 30 BEEC CC1=C[C@H](S[C@@]2(S)CCO[C@@H]2C)CO1 33506393 LNXJPLRQQUPVQW-UTLUCORTSA-N 232.370 2.457 30 30 BEEC COc1cc(Br)c(C)nc1C#N 214923034 KLVZQPVERXKZJL-UHFFFAOYSA-N 227.061 2.033 30 30 BEEC N#Cc1c[nH]c2c(C(F)(F)F)cccc2c1=O 95937887 XRRBITMWQMOERT-UHFFFAOYSA-N 238.168 2.419 30 30 BEEC N#Cc1cnc(-c2cc(F)cc(F)c2)nc1 35323402 JWWXYUFIVLYWNP-UHFFFAOYSA-N 217.178 2.293 30 30 BEEC CC(C)(C)OC(=O)Nc1ccc(N)cc1C#N 36737752 BZKUQHPZJOTSFK-UHFFFAOYSA-N 233.271 2.487 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H](O)[C@@](C)(O)C[C@@H]21 256423359 IWEFLIJBBPZMBB-VMPUKSAESA-N 236.355 2.357 30 30 BEEC CCn1c(C)c(C)s/c1=N/N=C(C)C 100259937 XWTZTRBYLAZSFC-ZRDIBKRKSA-N 211.334 2.483 30 30 BEEC C/C(=N\O)C(C)(C)Nc1ccc2c(c1)OCO2 158434 GVERIMLSGZAIMW-RIYZIHGNSA-N 236.271 2.456 30 30 BEEC COC(=O)[C@@H](C#N)c1cccc(Cl)c1 49814647 GCMXNRWGEQVNFC-VIFPVBQESA-N 209.632 2.120 30 30 BEEC CN1[C@H]2CC[C@H]1CC(=NOC(=O)c1ccco1)C2 100244368 CGDQDNNLYVMZMZ-QWRGUYRKSA-N 248.282 2.049 30 30 BEEC C=C(C)/C=N/Nc1ccc(C(=O)O)cc1 204990293 KGWBHVXIOVVDCJ-KPKJPENVSA-N 204.229 2.359 30 30 BEEC CC(C)(C)OC(=O)/N=C(\N)c1ccc(C=O)cc1 40443260 HAKVVQHWAGOZFE-UHFFFAOYSA-N 248.282 2.140 30 30 BEEC CC(=O)Nc1ccc2sc(C#N)nc2c1 45235876 QLKITAZQRNPYTP-UHFFFAOYSA-N 217.253 2.126 30 30 BEEC C#CCOc1ccc(Cl)cc1C=NO 254804687 YYSACDVOGXGWEO-UHFFFAOYSA-N 209.632 2.160 30 30 BEEC CN(C)CC#Cc1ccc(-c2cc[nH]n2)s1 20443446 RKDJGESMVHUOPL-UHFFFAOYSA-N 231.324 2.051 30 30 BEEC CC(=NO)c1ccc(Oc2cnccn2)cc1 254874378 WYGGPMUIFFKDFR-UHFFFAOYSA-N 229.239 2.467 30 30 BEEC COc1cc(CC#N)c(C)c(OC)c1C 2265362174 XEKRXQOYBXUTCC-UHFFFAOYSA-N 205.257 2.387 30 30 BEEC CC1(C)OB(/C=C2/CCCOC2)OC1(C)C 306632628 CCFGUFMNTSVEDE-NTMALXAHSA-N 224.109 2.355 30 30 BEEC Cc1cc(Br)c(C#N)nc1C 2265381506 TYOJVGOISAHPMX-UHFFFAOYSA-N 211.062 2.333 30 30 BEEC CSC(=Nc1ccccc1)N1CCOCC1 308864881 NONWBUYFHIKLKD-UHFFFAOYSA-N 236.340 2.369 30 30 BEEC CC(C)C(=O)/C(C#N)=N/Nc1ccc(F)cc1 168819 YDTZZNNARQHVJB-LFIBNONCSA-N 233.246 2.342 30 30 BEEC CON=C[C@@H]1SC(=O)c2ccccc21 254764092 PRFAWSSVWVIYRL-VIFPVBQESA-N 207.254 2.247 30 30 BEEC NC(=S)NN=CC12CC3CC(CC(C3)C1)C2 256333032 WZZCIXIXWOZLHW-UHFFFAOYSA-N 237.372 2.022 30 30 BEEC CC(C)(C)OC(=O)N1CCC(C#N)(C#N)CC1 49827326 OYSRIWSEDUHYOO-UHFFFAOYSA-N 235.287 2.051 30 30 BEEC in-vitro C#C[C@](C)(O)c1ccccc1Br 83052614 QFPIIHGBCPTSMN-JTQLQIEISA-N 225.085 2.290 30 30 BEEC in-vitro Cc1ccc(/N=C2\NCCS2)cc1F 12368468 WNPKSZOGGFCPAJ-UHFFFAOYSA-N 210.277 2.458 30 30 BEEC C[C@@H]1C(=O)C[C@H]1B1OC(C)(C)C(C)(C)O1 2265385565 LQNPQAFRRJIPLZ-JGVFFNPUSA-N 210.082 2.058 30 30 BEEC N/C(COc1cc(Cl)cc(Cl)c1)=N\O 15924147 NQSQCJIOOACMGE-UHFFFAOYSA-N 235.070 2.119 30 30 BEEC Cc1nc(-c2ccc(/C(N)=N/O)s2)cs1 4348891 NYTJCZRIHFSAOL-UHFFFAOYSA-N 239.325 2.275 30 30 BEEC C#Cc1ccc(Br)c(C(=O)O)c1 307183490 PLWBQJNNCDCMGN-UHFFFAOYSA-N 225.041 2.129 30 30 BEEC C=CCNC(=O)c1cc(Cl)c(N)c(Cl)c1 2000314 AAOSJWNCVPYQFB-UHFFFAOYSA-N 245.109 2.491 30 30 BEEC C=CCNc1nc(C)c(C#N)cc1C(=O)OCC 20406008 KBBILURXVQQXPZ-UHFFFAOYSA-N 245.282 2.036 30 30 BEEC CON=Cc1ccc(Cl)c([N+](=O)[O-])c1 254439203 NCONDIYNMPEBSZ-UHFFFAOYSA-N 214.608 2.229 30 30 BEEC C=CCn1cccc1C(=O)C(F)(F)F 725712453 YJZAOTIKYJMZDV-UHFFFAOYSA-N 203.163 2.419 30 30 BEEC C#CC[C@H]1CCCN1C(=O)OC(C)(C)C 71624665 JGDWMYNRMVUNMO-JTQLQIEISA-N 209.289 2.409 30 30 BEEC N#CCC(=O)c1ccc(OC(F)F)cc1 19472210 JDPFZHZAERTCDV-UHFFFAOYSA-N 211.167 2.384 30 30 BEEC in-vitro C=C[C@H]1NCCc2cc(OC)c(OC)cc21 22004082 GJVIEVDJTMRZDE-LLVKDONJSA-N 219.284 2.077 30 30 BEEC CN[C@@H](c1ccc(C#N)cc1)C(F)(F)F 238319517 XCFRGHCPQMJDLT-VIFPVBQESA-N 214.190 2.381 30 30 BEEC CC(=NO)C(Cc1ccc(O)cc1)C(C)=NO 725325517 RGHLZLCPHATEDW-UHFFFAOYSA-N 236.271 2.251 30 30 BEEC CN(CC(C)(C)C=O)C(=O)OC(C)(C)C 149559748 VTSQGUKMJZKNDN-UHFFFAOYSA-N 215.293 2.078 30 30 BEEC C=CCSC(N)=NN=Cc1ccsc1 252622396 NUOKZNPHEBPIGE-UHFFFAOYSA-N 225.342 2.316 30 30 BEEC NN=Cc1cnc2ccccc2c1Cl 254528054 ONJKRDBEFQZFOZ-UHFFFAOYSA-N 205.648 2.181 30 30 BEEC CC(C)C[C@H](C=O)CNC(=O)OC(C)(C)C 220538549 DORQCCNLYAGUSQ-JTQLQIEISA-N 229.320 2.372 30 30 BEEC CC(C)[C@H](C(=O)O)c1cccc(C#N)c1 52233104 XCTGEVAKATUJCM-NSHDSACASA-N 203.241 2.382 30 30 BEEC CC[C@@H](C)[C@H](C#N)c1nc(C(=O)O)cs1 150336174 GKFXGKIBVFDKBP-RQJHMYQMSA-N 224.285 2.495 30 30 BEEC CC(C)(C)OC(=O)N1Cc2cc(C#N)cnc2C1 306780231 CSZDKWGHNLVXQD-UHFFFAOYSA-N 245.282 2.204 30 30 BEEC N#Cc1ccc2[nH]cc(CCC(=O)O)c2c1 38867343 AKWJKNNOUSXOMQ-UHFFFAOYSA-N 214.224 2.057 30 30 BEEC N#Cc1ccc(CO)c(C(F)(F)F)c1 238725341 GFWCDWYWFWCNFX-UHFFFAOYSA-N 201.147 2.069 30 30 BEEC in-vitro CCCOc1ccc(C=NO)cc1OC 252364414 DBOQZEDKACZVMY-UHFFFAOYSA-N 209.245 2.292 30 30 BEEC C=CCOC[C@H](C(=O)O)c1ccccc1 62758810 QTIMAMPHOMQCTF-NSHDSACASA-N 206.241 2.057 30 30 BEEC CCOC(=O)[C@H]1O[C@H]1c1ccc(CC)cc1 38171727 PJNXXWPQNHTLAO-RYUDHWBXSA-N 220.268 2.252 30 30 BEEC CN(C)/C=N/c1nnc(C(C)(C)C)s1 4300296 OSRZMOYRHWUZEN-UXBLZVDNSA-N 212.322 2.057 30 30 BEEC O/N=C\NCc1ccccc1OC(F)(F)F 12368949 ZIMDBNDIIZMHHZ-UHFFFAOYSA-N 234.177 2.092 30 30 BEEC C=C(C)C(=O)O[C@@H]1C=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 111873200 APJQZXPTPACCNB-YYHQMBLXSA-N 216.280 2.482 30 30 BEEC CCOC(=O)[C@@H](C#N)c1cncc2ccccc12 44197567 WAKMXXMRJZAELC-LBPRGKRZSA-N 240.262 2.405 30 30 BEEC O=C1CC(c2cccc(C(F)(F)F)c2)=NO1 113856382 WBZJQJVTZQXCEO-UHFFFAOYSA-N 229.157 2.356 30 30 BEEC C=C(C(=O)OCC(F)(F)F)C(F)(F)F 2529929 IRQYOZQRDXJKSW-UHFFFAOYSA-N 222.084 2.210 30 30 BEEC Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=O 217775474 CAWCXBZDAPQYDN-UHFFFAOYSA-N 246.115 2.107 30 30 BEEC C=C(C)C(=O)OC(OC(=O)C(=C)C)C(=C)C 38656730 QZSYJLOPDUVWJF-UHFFFAOYSA-N 224.256 2.127 30 30 BEEC CSc1cc(Br)ncc1C#N 238403259 PNEPORWTKVGVFB-UHFFFAOYSA-N 229.102 2.438 30 30 BEEC CC(=O)OC/C=C/C#CC#C/C=C/c1ccco1 33829982 KQELYEKOTPXIHM-NBANWCDVSA-N 240.258 2.419 30 30 BEEC biogenic,in-vitro C=C[C@](CC)(CO)N(C(=O)O)C(C)(C)C 39093908 FMRMUWKFXBWRRY-NSHDSACASA-N 215.293 2.092 30 30 BEEC CC[C@@H](/N=C(\NC#N)Nc1ccncc1)C(C)C 13232861 FGHNMXDJYUNDMK-GFCCVEGCSA-N 245.330 2.355 30 30 BEEC CCN(CC)CC/N=C\c1ccccc1O 263584302 PKMPLUBOIQNPGM-KAMYIIQDSA-N 220.316 2.153 30 30 BEEC C#CCCCCCCOC(=O)CC(=C)C(=O)O 1857797457 NPWMZOZWVAFQMP-UHFFFAOYSA-N 238.283 2.144 30 30 BEEC COC(OC)c1ccc2c(N)c(C#N)sc2n1 123558 PTBIRADIZVRCOZ-UHFFFAOYSA-N 249.295 2.042 30 30 BEEC CC(C)[C@@H](CC#N)NC(=O)OC(C)(C)C 39093687 KNWHKVBSGNXETQ-SECBINFHSA-N 212.293 2.449 30 30 BEEC CCOc1nnc(-c2ccc(C#N)cc2)o1 39100147 FLFNXVKHJXEFON-UHFFFAOYSA-N 215.212 2.007 30 30 BEEC CC(=O)Nc1ccc([C@H](C)C#N)cc1[N+](=O)[O-] 95934869 BARXMUDXRCAMLP-SSDOTTSWSA-N 233.227 2.180 30 30 BEEC N#CCc1ccc(OCC(F)(F)F)nc1 95883458 ZRSZOBXUOPHVJM-UHFFFAOYSA-N 216.162 2.089 30 30 BEEC N#CC[C@H](O)COc1cccc2ccccc12 33650117 ASZJWZSLVVSBAH-LBPRGKRZSA-N 227.263 2.493 30 30 BEEC N#Cc1ccc(NC2CCOCC2)cc1 36304055 CNRANYWKQMBHMC-UHFFFAOYSA-N 202.257 2.149 30 30 BEEC Cc1nc(N)c(C#N)c(-c2ccc[nH]2)c1C 35283501 JYXAZKFKUCYVFC-UHFFFAOYSA-N 212.256 2.147 30 30 BEEC C=CC[C@@]1(Cl)C(=O)c2ccccc2N(C)C1=O 39124022 XOPGKJZLWXZAGP-CYBMUJFWSA-N 249.697 2.399 30 30 BEEC C=CCOC[C@@H](C(=O)O)c1ccccc1 62758811 QTIMAMPHOMQCTF-LLVKDONJSA-N 206.241 2.057 30 30 BEEC CN1C(=O)SC(=Cc2ccc(C#N)cc2)C1=O 2265270032 AJFMQVZLNVTZCL-UHFFFAOYSA-N 244.275 2.224 30 30 BEEC C[C@@H]1OCC=C1S[C@]1(S)CCO[C@H]1C 255962093 AGRIHDPBJMXWRQ-OYNCUSHFSA-N 232.370 2.457 30 30 BEEC CS[C@@]1(C)C(=O)Nc2c(C#N)cccc21 390822104 DTSJJPWAFBMZRB-LLVKDONJSA-N 218.281 2.089 30 30 BEEC O=C1C2=C(O)CCC[C@H]2Cc2c(O)ccc(O)c21 103613424 WFJGYXFRDIGMQH-ZETCQYMHSA-N 246.262 2.449 30 30 BEEC CCOC(=O)CCN=C(SC)SC 106490745 FVRAMGAROSTBKT-UHFFFAOYSA-N 221.347 2.022 30 30 BEEC CCOC(=O)[C@]12CCCCC1=CC(=O)CC2 5701050 SRDFWBNFGXTHOY-ZDUSSCGKSA-N 222.284 2.399 30 30 BEEC O=C1C=C(O)CC2=C1c1cc(O)ccc12 299803554 XWMYKYVNLUURFU-UHFFFAOYSA-N 200.193 2.031 30 30 BEEC C#Cc1ccc([C@H](O)C(F)(F)F)cc1 219513966 KDBTXUVLYVGRJD-VIFPVBQESA-N 200.159 2.264 30 30 BEEC CCOc1ccc(C=NOC)cc1OC 255314966 WHNBRVBONMPKJG-UHFFFAOYSA-N 209.245 2.074 30 30 BEEC ON=C1CCc2c(Br)ccc(O)c21 382564591 BFCCIMYTKKPKND-UHFFFAOYSA-N 242.072 2.279 30 30 BEEC CN(C)C=CC(=O)C=Cc1cccs1 2265233859 VZONDMKKYNJRQF-UHFFFAOYSA-N 207.298 2.406 30 30 BEEC CS(=O)(=O)OC1CCC(C(F)(F)F)CC1 115367065 YQENJXKMIZGHRL-UHFFFAOYSA-N 246.250 2.084 30 30 BEEC CN(C(=O)OC(C)(C)C)c1ccc(C#N)nc1 238288653 DMLVIGFPSDTLAD-UHFFFAOYSA-N 233.271 2.325 30 30 BEEC O/N=C1/c2ccccc2CC[C@@H]1Cn1ccnc1 4344877 IEGDOABZYCYUKF-GASGDFKYSA-N 241.294 2.324 30 30 BEEC N#Cc1cc(F)cc(-c2cccc(N)n2)c1 85633893 IUOQKWUJLACALT-UHFFFAOYSA-N 213.215 2.342 30 30 BEEC CC(C)(C)OC(=O)N1CCC(C=NO)CC1 257352171 JPPSCYURIXEGIG-UHFFFAOYSA-N 228.292 2.094 30 30 BEEC N#CC(=O)Cc1ccc(OC(F)(F)F)cc1 2265383468 MXPPDLCADSOXRR-UHFFFAOYSA-N 229.157 2.220 30 30 BEEC N#CCc1nc2ccccc2nc1Cl 1571956 SCPJSCIMKCHTOO-UHFFFAOYSA-N 203.632 2.349 30 30 BEEC C=C1COC(=O)N1c1ccccc1[N+](=O)[O-] 4335948 RLIMJHYQFPGRBY-UHFFFAOYSA-N 220.184 2.065 30 30 BEEC CON=CCC(=O)Nc1ccc(Cl)cc1 254749937 UNZJNKOIMNWJIU-UHFFFAOYSA-N 226.663 2.301 30 30 BEEC Cc1c(C)c(C)c(C(=O)/C=N/N)c(C)c1C 137640 ANNPQEXNIILYAT-GIDUJCDVSA-N 218.300 2.356 30 30 BEEC N#Cc1cc(C(=O)O)sc1Br 84305290 CGFLKXMVSQONTA-UHFFFAOYSA-N 232.058 2.080 30 30 BEEC N#Cc1c(N)nc2ccccc2c1Br 140250084 RVMAYPLGPFYYAJ-UHFFFAOYSA-N 248.083 2.451 30 30 BEEC C=CCOc1ccc(N)cc1C(=O)NCC(C)C 3627178 KGFLENIUFAVWPP-UHFFFAOYSA-N 248.326 2.219 30 30 BEEC CCOC(=O)[C@H](C#N)c1c(F)cccc1F 90462713 ZVRUFDCUSRATQM-SSDOTTSWSA-N 225.194 2.135 30 30 BEEC CCCCCCCCN1C[C@H](C(=O)O)CC1=O 100313061 KTVSYQGGEIIOPJ-LLVKDONJSA-N 241.331 2.280 30 30 BEEC C=CCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 95347884 MQIIVKFWBPFQSO-JTQLQIEISA-N 227.304 2.198 30 30 BEEC in-vitro CN(Cc1ccccc1)C1(C#N)CCOCC1 642882411 XELYGOOGQPCYKT-UHFFFAOYSA-N 230.311 2.191 30 30 BEEC CS/C(N)=N\N=C(/C)c1ccc(F)cc1 4300234 JKZFKOBXYSACJJ-NTUHNPAUSA-N 225.292 2.227 30 30 BEEC C=C(C)C(=O)OCCOC(=O)Nc1ccccc1 5158199 UQFMGLLQCSSNQM-UHFFFAOYSA-N 249.266 2.354 30 30 BEEC N#Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 5177898 KINPFEIFSJMYNL-UHFFFAOYSA-N 247.257 2.462 30 30 BEEC in-vitro CCOC(=O)C#Cc1ccccc1Cl 32302007 OEYUQMLODPIMSE-UHFFFAOYSA-N 208.644 2.255 30 30 BEEC COc1ccc(C[C@@H](C)C#N)cc1OC 80182990 QYPVUSRSPJQLAY-SECBINFHSA-N 205.257 2.406 30 30 BEEC in-vitro C[C@@](N)(c1ccc(C#N)cc1)C(F)(F)F 95758515 ZUPNMBVWWKXMHM-SECBINFHSA-N 214.190 2.294 30 30 BEEC CSc1nc(C)nc(-n2cccc2)c1C#N 77166 AQXBIZCBLKSNPB-UHFFFAOYSA-N 230.296 2.169 30 30 BEEC CC(=O)OCCN(CCC#N)c1cccc(C)c1 135866392 OYYRZXBLVRUYIN-UHFFFAOYSA-N 246.310 2.278 30 30 BEEC CC1=C[C@H](S[C@@]2(S)CCO[C@H]2C)CO1 33506392 LNXJPLRQQUPVQW-GUBZILKMSA-N 232.370 2.457 30 30 BEEC Cc1cc(N)c(C#N)cc1Br 202493498 JUMBIYSZZDBMKB-UHFFFAOYSA-N 211.062 2.211 30 30 BEEC Cc1c(C#N)sc(-c2nc[nH]n2)c1C 142760 JSWDWANQMNSAMK-UHFFFAOYSA-N 204.258 2.022 30 30 BEEC N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCCC2 35299424 PBELVSICICGDPD-UHFFFAOYSA-N 238.294 2.409 30 30 BEEC C=C(C)C[C@@H](C=O)NC(=O)OC(C)(C)C 13588583 RVOIREFTVREURB-VIFPVBQESA-N 213.277 2.045 30 30 BEEC N#C[C@H](C(=O)c1ccco1)c1cccnc1 87617815 YHVSFLLDJMKBBN-JTQLQIEISA-N 212.208 2.165 30 30 BEEC CON=C[C@H]1SC(=O)c2ccccc21 254764083 PRFAWSSVWVIYRL-SECBINFHSA-N 207.254 2.247 30 30 BEEC C=CCOc1c(OC)cc(C(C)=O)cc1OC 1844455 BQYIARTZCCFTFV-UHFFFAOYSA-N 236.267 2.471 30 30 BEEC C=C[C@H](CC(N)=O)c1cccc(Cl)c1 35077341 KCMGVYVRDNBWAZ-MRVPVSSYSA-N 209.676 2.485 30 30 BEEC CC1(C)C(=O)C[C@@H]1B1OC(C)(C)C(C)(C)O1 2265347414 OHQJNHVYGULKCV-QMMMGPOBSA-N 224.109 2.448 30 30 BEEC COC(=O)/C=C/C(=O)c1c[nH]c2ccccc12 32099165 NAWMRCICTINDNM-VOTSOKGWSA-N 229.235 2.080 30 30 BEEC C#CCOc1ccc(N(O)C(C)=O)cc1Cl 223470886 FVKOPHSSITVZIU-UHFFFAOYSA-N 239.658 2.094 30 30 BEEC C=C[C@H]1CNCC[C@H]1CC(=O)OC(C)(C)C 34302838 ZEHOOORBLCQKOE-QWRGUYRKSA-N 225.332 2.130 30 30 BEEC COc1ccc(/C(C)=N/O)cc1CN1CCCC1 12339736 XWVMLDAUWHCXOV-RVDMUPIBSA-N 248.326 2.489 30 30 BEEC N#CCc1ccc(OC(=O)c2cccnc2)cc1 77871 OKNFFXGRBNTDRI-UHFFFAOYSA-N 238.246 2.367 30 30 BEEC O=[N+]([O-])c1ccc(Cl)c(/C=N\O)c1 100468145 BCVYAFHZIZEYLS-WTKPLQERSA-N 200.581 2.056 30 30 BEEC C#C[C@]1(CC)COCCN1C(=O)OC(C)(C)C 2265384962 LFIWCFUISCHKAR-ZDUSSCGKSA-N 239.315 2.036 30 30 BEEC N#Cc1ccc(Nn2cc[nH]c2=S)cc1 148248329 TWIWQRNFEGJFAE-UHFFFAOYSA-N 216.269 2.293 30 30 BEEC C#CCN[C@H](C)c1cccc(C(=O)OCC)c1 1772820825 ZQSMEUAJQLVMQC-LLVKDONJSA-N 231.295 2.147 30 30 BEEC C[C@]1(C#N)CC1(Br)Br 32197419 USNDLMWKPKVOAR-SCSAIBSYSA-N 238.910 2.406 30 30 BEEC N#Cc1c(F)cccc1NCCCn1ccnc1 15954110 ZJMLDNRAZWLIIK-UHFFFAOYSA-N 244.273 2.396 30 30 BEEC CCCCCCC[C@@H]1N[C@H](C(=O)O)CS1 95722882 PBFKOPWETDLXRE-VHSXEESVSA-N 231.361 2.463 30 30 BEEC Cc1cccc(N/N=C2/NCCS2)c1C 39110376 UDZABZKTJRTGQO-UHFFFAOYSA-N 221.329 2.323 30 30 BEEC N#CCc1ccc(OC(=O)c2ccncc2)cc1 77866 JGLJNUVOTSCXBD-UHFFFAOYSA-N 238.246 2.367 30 30 BEEC CCO[C@@H](/C(N)=N/O)c1ccccc1Cl 5650866 PTAMVVGINUXBPU-SECBINFHSA-N 228.679 2.164 30 30 BEEC C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](C)O1 19867439 CCBDDYXYZGBRMN-QWRGUYRKSA-N 216.284 2.172 30 30 BEEC CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C=O)C1 98096011 HFZOJUONOHDPHP-UWVGGRQHSA-N 227.304 2.269 30 30 BEEC CC(C)(CS)NC(=O)OC(C)(C)C 39093355 XICWIXHBBILNLD-UHFFFAOYSA-N 205.323 2.220 30 30 BEEC CCOC(=O)[C@H]1O[C@@H]1c1ccc(CC)cc1 38171726 PJNXXWPQNHTLAO-NEPJUHHUSA-N 220.268 2.252 30 30 BEEC Cc1ccc(O[C@@H](C)C(=O)C=CN(C)C)cc1 2265269977 JPRORLRLNDTXLH-LBPRGKRZSA-N 233.311 2.407 30 30 BEEC CC(C)(C)OC(=O)N[C@H](C#N)CC(F)(F)F 95882057 FNADWCYBGBHJDL-LURJTMIESA-N 238.209 2.356 30 30 BEEC Cc1cc(Cl)ccc1NC(=O)/C=N/O 13118527 IHRNYCWVHDGNFY-VZUCSPMQSA-N 212.636 2.047 30 30 BEEC O=C1C=CO[C@H](COCc2ccccc2)C1 36420939 IRQQAWBBQRVPSH-ZDUSSCGKSA-N 218.252 2.075 30 30 BEEC C/C(=N\C[C@@H](C)O)c1cc(Cl)ccc1O 66682 QARWCMQZXQMFEB-PPOOIOKYSA-N 227.691 2.235 30 30 BEEC Cc1ccc(N/N=C(/C#N)C(=O)C2CC2)cc1 96385 MJLSZRATHUENQT-VBKFSLOCSA-N 227.267 2.266 30 30 BEEC C=CCCCOC(=O)CNC(=O)OC(C)(C)C 95347716 FAMWXTURFKINAG-UHFFFAOYSA-N 243.303 2.021 30 30 BEEC in-vitro O=[N+]([O-])c1cc(C=NO)ccc1N1CCCC1 252620835 MNAFCQXXESLFJC-UHFFFAOYSA-N 235.243 2.003 30 30 BEEC CC1(C)OCc2cc(C#N)c(Cl)nc21 307018206 QSPACLUVDBOXSR-UHFFFAOYSA-N 208.648 2.372 30 30 BEEC COc1ccc(Cl)c2c(O)c(C#N)cnc12 19471701 DVJCWMQLWQGNGT-UHFFFAOYSA-N 234.642 2.474 30 30 BEEC OCC/N=C(\S)Nc1cccc(Cl)c1 2163739 MHMAMWDHTLUQDM-UHFFFAOYSA-N 230.720 2.030 30 30 BEEC C=COS(=O)(=O)c1ccc(Cl)cc1 44712525 AOLDJEQPBSWTNK-UHFFFAOYSA-N 218.661 2.189 30 30 BEEC C[C@H]1C[C@@H](S)CN1C(=O)OC(C)(C)C 209900223 HBKAPPHVTBDWEM-JGVFFNPUSA-N 217.334 2.314 30 30 BEEC COc1cc([N+](=O)[O-])c(C#N)c(Cl)c1OC 132923 MVWQAROVFUHBQA-UHFFFAOYSA-N 242.618 2.137 30 30 BEEC CC[C@@H](C#N)c1ccc(O)c([N+](=O)[O-])c1 33507024 GGVUDMNCNFJLTF-ZETCQYMHSA-N 206.201 2.318 30 30 BEEC C#CCN[C@H](C)c1ccc(C(=O)OCC)cc1 1772820817 PMQPPWMSPNXLNP-LLVKDONJSA-N 231.295 2.147 30 30 BEEC COC/C(C)=C\B1OC(C)(C)C(C)(C)O1 396710221 NMMLJPPPMPZHRH-CLFYSBASSA-N 212.098 2.211 30 30 BEEC C#CCSc1nnnn1-c1ccc(C)cc1C 3131779 ZKISCMKCBOMNPN-UHFFFAOYSA-N 244.323 2.004 30 30 BEEC CCOC(=O)c1cc(C)nc(SC)c1C#N 75635 NNSMEMNLQGYZOB-UHFFFAOYSA-N 236.296 2.160 30 30 BEEC COc1ccc(C/N=C(\C)[C@H]2CCOC2=O)cc1 4369435 ISACPQUZOLETKU-QQFZQELXSA-N 247.294 2.219 30 30 BEEC CCOC(=O)[C@@H]1O[C@@]12CC1=C3CCC[C@H]3[C@H]2C1 255979048 IMKKADHOQOBOAV-NRWUCQMLSA-N 234.295 2.207 30 30 BEEC C#CCN(C)[C@@H](C)Cc1ccc(F)cc1 26165086 MUDUXRHPVDVWHU-NSHDSACASA-N 205.276 2.322 30 30 BEEC in-vitro C#CC12CC(CN1C(=O)OC(C)(C)C)C2 675050318 PWGPSOVVKGDKSN-UHFFFAOYSA-N 207.273 2.019 30 30 BEEC O=C1C(=Cc2ccc(F)cc2)N2CCC1CC2 2265271998 ZENGXRZFUKYWDS-UHFFFAOYSA-N 231.270 2.461 30 30 BEEC N#Cc1ccc(C(=O)Oc2ccc(O)cc2)cc1 82304925 UPMIMMYULADZDF-UHFFFAOYSA-N 239.230 2.483 30 30 BEEC CC(=O)C(=CNc1cccc(F)c1C#N)C(C)=O 166448 YUHHKZPMZQIXRN-UHFFFAOYSA-N 246.241 2.171 30 30 BEEC CC1(C)Oc2ccc(C#N)cc2[C@H]2O[C@H]21 34541462 HCYIWPLDKSWKGY-GHMZBOCLSA-N 201.225 2.169 30 30 BEEC C#Cc1cccc(Br)c1OC 1536072091 KTIRNPUXXZSSPM-UHFFFAOYSA-N 211.058 2.439 30 30 BEEC Cc1ccc(O[C@H](C)C(=O)C=CN(C)C)cc1 2265269976 JPRORLRLNDTXLH-GFCCVEGCSA-N 233.311 2.407 30 30 BEEC Cc1cc(CCc2ccccc2)c(C#N)c(=O)[nH]1 82549171 VLAPOWHFXDHZSP-UHFFFAOYSA-N 238.290 2.340 30 30 BEEC ON=Cc1ccc(OCc2cccnc2)cc1 606346479 JPSLDFHNSUOMQZ-UHFFFAOYSA-N 228.251 2.469 30 30 BEEC C=CCC1(N)CCN(C(=O)OC(C)(C)C)CC1 118108604 MYOWFVINTHGYRI-UHFFFAOYSA-N 240.347 2.291 30 30 BEEC CC(C)=NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102933270 NTCPGFFPZZGIIP-GUBZILKMSA-N 225.361 2.035 30 30 BEEC Cc1cccc(Cl)c1N/C(S)=N\N 13658949 HILIAIYESTWAIN-UHFFFAOYSA-N 215.709 2.220 30 30 BEEC C=CCSc1n[nH]c(=O)n1C1CCCCC1 3046464 OSYMCUUULMEKAI-UHFFFAOYSA-N 239.344 2.355 30 30 BEEC O=[N+]([O-])c1cccnc1C#Cc1ccccc1 40448387 FHKHJZAJFFRLKC-UHFFFAOYSA-N 224.219 2.390 30 30 BEEC ON=C(Cl)c1cc(F)c(F)cc1F 379286621 PEOVYDFQEFKHNF-UHFFFAOYSA-N 209.554 2.479 30 30 BEEC C[C@H](Oc1ncccc1C#N)C(F)(F)F 90672860 LTYKSQRXRKEKJW-LURJTMIESA-N 216.162 2.283 30 30 BEEC in-vitro CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@@H](O)O1 15266089 SSFLZIBVARYADM-ZFIOJPIISA-N 236.311 2.417 30 30 BEEC CN(C(=O)c1ccncc1)c1ccc(C#N)cc1 61955024 GEROMJDSMDHRIK-UHFFFAOYSA-N 237.262 2.230 30 30 BEEC in-vitro ON=Cc1cccc(OCc2ccncc2)c1 606346481 QJAUVMPFIUMOLH-UHFFFAOYSA-N 228.251 2.469 30 30 BEEC O=C(/C=N/O)Nc1cccc2ccccc12 147232385 HMDIGANJRVGLLN-MDWZMJQESA-N 214.224 2.238 30 30 BEEC CCCCCC(=O)ON=C(C)c1cnccn1 725274104 HYKMQXCEGGMEAD-UHFFFAOYSA-N 235.287 2.324 30 30 BEEC CC(C)c1cc(O)n(C(C)C)c(=O)c1C#N 39098342 DPHHJEMXZCAABJ-UHFFFAOYSA-N 220.272 2.130 30 30 BEEC N#Cc1cc(C[C@H]2CCCNC2)ccc1F 215988890 DIZDGLBBZDXYJE-LLVKDONJSA-N 218.275 2.239 30 30 BEEC Cc1c(Oc2ccccc2C#N)cnn1C 257712426 REZTXBDDNPBWNM-UHFFFAOYSA-N 213.240 2.393 30 30 BEEC COC(=O)/C(Cl)=N\Nc1cccc(C)c1C 100333825 XRPAMCIDDDDDJG-GXDHUFHOSA-N 240.690 2.441 30 30 BEEC C#C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 39351294 KKGWTCIJHCXRTO-NXEZZACHSA-N 239.315 2.380 30 30 BEEC COC(=O)C/C(C)=N/Nc1ccccc1 211426689 YSKRVJSWYOPWNW-FMIVXFBMSA-N 206.245 2.038 30 30 BEEC C=CCOC(=O)C[C@H](C)NC(=O)OC(C)(C)C 2386933 PHNPFUAYVBEGAJ-VIFPVBQESA-N 243.303 2.019 30 30 BEEC CC1=C[C@H](S[C@]2(S)CCO[C@@H]2C)CO1 33506391 LNXJPLRQQUPVQW-KXUCPTDWSA-N 232.370 2.457 30 30 BEEC CC(=NNc1cccc2cccnc12)C(=O)O 254772143 SXSBOBCUDWSTJZ-UHFFFAOYSA-N 229.239 2.107 30 30 BEEC Cc1nc(N)sc1/C(=N\O)c1ccccc1 100336941 CLUORPRBQKIGOM-ZROIWOOFSA-N 233.296 2.260 30 30 BEEC CSc1nc(Br)c(C#N)s1 205874986 OUFORVRHJSUSHV-UHFFFAOYSA-N 235.131 2.499 30 30 BEEC C=CCNc1nccc(C(F)(F)F)n1 4299529 PGTZKDAEIJAXTE-UHFFFAOYSA-N 203.167 2.093 30 30 BEEC N#CCN1CCC(C(=O)c2ccc(F)cc2)CC1 33608127 MSMHDJPCXSJKSY-UHFFFAOYSA-N 246.285 2.244 30 30 BEEC CCOC(=O)c1ccc(C#N)c(OCC)c1 39100548 OIKYKLZSKBWTCC-UHFFFAOYSA-N 219.240 2.134 30 30 BEEC O=[N+]([O-])c1ccc(Cl)c(C=NO)c1 252369909 BCVYAFHZIZEYLS-UHFFFAOYSA-N 200.581 2.056 30 30 BEEC CC(C)(C)OC(=O)N1CCC[C@H]1C(Cl)=NO 309047036 JTAJZIACJJWQCT-ZETCQYMHSA-N 248.710 2.412 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@](C)(O)[C@@H](O)C[C@H]21 256413947 DYPRFMBZYYFNBV-NNEGLZRWSA-N 236.355 2.357 30 30 BEEC C=CC[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1 306276970 HLVLMAMGBKFODM-ZDUSSCGKSA-N 240.347 2.291 30 30 BEEC C#CC1CCN(c2ccccc2N)CC1 692381744 AXARPFMAZZZKJM-UHFFFAOYSA-N 200.285 2.118 30 30 BEEC COc1ccc(C/N=C(\C)[C@@H]2CCOC2=O)cc1 4369434 ISACPQUZOLETKU-LERPTODRSA-N 247.294 2.219 30 30 BEEC c1cc(OC[C@H]2CO2)c2scnc2c1 45236995 BNEGKKSHTBJBKC-SSDOTTSWSA-N 207.254 2.074 30 30 BEEC CC(=NO)c1c(C)nc2ccc(Cl)cn12 254873350 KFCDRRLTBWPCDW-UHFFFAOYSA-N 223.663 2.494 30 30 BEEC C=CCOc1c(OC)cccc1C(=O)OC 37625868 LAEJCXAEDSFVBW-UHFFFAOYSA-N 222.240 2.047 30 30 BEEC O=[N+]([O-])c1cccc(/C=N\O)c1Cl 100378203 QYDRUMLZLJQLPX-WTKPLQERSA-N 200.581 2.056 30 30 BEEC N#Cc1cc([N+](=O)[O-])c(Br)s1 259627762 BVTHSWQRTDMFAI-UHFFFAOYSA-N 233.046 2.290 30 30 BEEC CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@H](O)O1 256002242 SSFLZIBVARYADM-PNXHHLJCSA-N 236.311 2.417 30 30 BEEC C=C1COc2cc(-c3ccccc3)nn2C1 536553505 TURZJDRTEXGDRL-UHFFFAOYSA-N 212.252 2.499 30 30 BEEC CC1=CS(=O)(=O)OC2=C1CC[C@@H](C)C2 145818371 LERWMOJKRXJYAC-SSDOTTSWSA-N 214.286 2.324 30 30 BEEC CC(C)(C)OC(=O)N1C[C@@H](C=O)C(C)(C)C1 257956901 GJCUTGXTLPEJDI-VIFPVBQESA-N 227.304 2.078 30 30 BEEC CN(C)C=NC(=S)Nc1ccccc1F 254554894 IHHJYCXAPFPWCW-UHFFFAOYSA-N 225.292 2.112 30 30 BEEC CCc1nc(Br)c(C#N)nc1Cl 2265364129 DPVAZDFPZMYMDY-UHFFFAOYSA-N 246.495 2.327 30 30 BEEC COc1ccc(O[C@H](C)C(=O)C=CN(C)C)cc1 2265270007 QZVWYDBTEZXGBP-LLVKDONJSA-N 249.310 2.107 30 30 BEEC CC(C)(C)c1cc(C=NO)c(O)c(C=NO)c1 2265276327 UUJUKMPEQNKKLB-UHFFFAOYSA-N 236.271 2.306 30 30 BEEC C#CCSc1ccccc1C1=NCCCN1 4322824 INAIBZSAAISUFO-UHFFFAOYSA-N 230.336 2.152 30 30 BEEC CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@H](O)O1 256002241 SSFLZIBVARYADM-GGPZKPICSA-N 236.311 2.417 30 30 BEEC N#C/C(=N\Nc1cccc(F)c1)C(=O)C1CC1 96399 FQLPJIOZMQKMCN-LFIBNONCSA-N 231.230 2.096 30 30 BEEC SCCNC1C2CC3CC(C2)CC1C3 138404877 KIDWLHJFGPQPJD-UHFFFAOYSA-N 211.374 2.331 30 30 BEEC COC(=O)[C@@H](S)Cc1ccc(C)cc1 98210170 IFWYWRLTEURWEQ-JTQLQIEISA-N 210.298 2.009 30 30 BEEC in-vitro C=C(C)C(=O)O[C@@H]1C=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 111873191 APJQZXPTPACCNB-NWBUJAPZSA-N 216.280 2.482 30 30 BEEC CC1(C)OB(C2=CC[C@H](C(=O)O)C2)OC1(C)C 2265364035 CKBXSHPUEXZFFN-QMMMGPOBSA-N 238.092 2.039 30 30 BEEC N#CCC(=O)c1cccc(OC(F)F)c1 34957522 VRRBMZZUCRHDSB-UHFFFAOYSA-N 211.167 2.384 30 30 BEEC C=CCC[C@@H](C=O)NC(=O)OC(C)(C)C 36373156 CQHQSFLXHJTURA-VIFPVBQESA-N 213.277 2.045 30 30 BEEC Cc1ccc(C=CC(=O)CCC(=O)O)cc1 2265237584 NEAWYNDZYLARBH-UHFFFAOYSA-N 218.252 2.442 30 30 BEEC CCNc1c(F)c(C#N)c(F)c(F)c1C#N 33855487 ZUHJTCHKKSRDOL-UHFFFAOYSA-N 225.173 2.279 30 30 BEEC C=C[C@@H](C)Oc1ncc(Br)cn1 238790230 TVEGHSPAFAVWIE-ZCFIWIBFSA-N 229.077 2.192 30 30 BEEC CCO[C@@H]1CC(OC)=C[C@H]2C=C[C@@]21C#N 39099387 HCWWAYOOLDARND-YUSALJHKSA-N 205.257 2.021 30 30 BEEC CC(C)(C)O/C(O)=N/CCC1CC(=O)C1 328579667 VLELQAGHWHUESM-UHFFFAOYSA-N 213.277 2.085 30 30 BEEC C[C@H](Oc1cccc2ccccc12)/C(N)=N/O 6019931 KLWGWDOTUDKLKT-VIFPVBQESA-N 230.267 2.354 30 30 BEEC in-man C=CCn1cc(C(=O)O)c(=O)c2cc(C)sc21 35570269 JLOMOYZROYHMHL-UHFFFAOYSA-N 249.291 2.256 30 30 BEEC CCOC(=O)/C(C)=N/Nc1ccc(F)cc1 83775 PKYKPEGGKHVOMC-MDWZMJQESA-N 224.235 2.177 30 30 BEEC CC[C@H](/N=C(\NC#N)Nc1ccncc1)C(C)C 13232846 FGHNMXDJYUNDMK-LBPRGKRZSA-N 245.330 2.355 30 30 BEEC CCC#CCOS(=O)(=O)c1ccc(C)cc1 36421514 VLHQNZIPSBLCKM-UHFFFAOYSA-N 238.308 2.114 30 30 BEEC C=C1N(C(=O)C(F)(F)F)N=C(C)C1(C)C 39054657 VOZRJUALJZKLGT-UHFFFAOYSA-N 220.194 2.307 30 30 BEEC CN/N=C/c1cc(Cl)cc(Cl)c1O 12368544 IDFVXBKPCLYQIK-UUILKARUSA-N 219.071 2.252 30 30 BEEC Cc1cc(Br)ccc1C#CCO 39711882 WXIANMVWUXRAMN-UHFFFAOYSA-N 225.085 2.101 30 30 BEEC C=C[C@]1(O)C[C@H](C)N(C)[C@H]2CCCC[C@H]21 6066730 DNTLHLDYMDJBDF-RNJOBUHISA-N 209.333 2.186 30 30 BEEC C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)O1 19867434 CCBDDYXYZGBRMN-GHMZBOCLSA-N 216.284 2.172 30 30 BEEC CCOC(=O)[C@H]1CCC(=O)C=C1C(F)(F)F 75898655 QBRWPPHCYXMELT-ZETCQYMHSA-N 236.189 2.017 30 30 BEEC Cc1cccc(O[C@@H](C)C(=O)C=CN(C)C)c1 2265276500 OFRVPSNJDOCPJV-LBPRGKRZSA-N 233.311 2.407 30 30 BEEC CCCCCCCC(=O)OC[C@@H](C)O 100295280 GHHURQMJLARIDK-SNVBAGLBSA-N 202.294 2.271 30 30 BEEC CCO[C@@H](/C(N)=N/O)c1ccc(Cl)cc1 5650863 UGPIQQHRWONTHJ-SECBINFHSA-N 228.679 2.164 30 30 BEEC C[C@H]1CC(=O)C=CN1C(=O)Oc1ccccc1 1010533 YLUKOINHKLEUIR-JTQLQIEISA-N 231.251 2.362 30 30 BEEC CC(C)/C(=N/O)c1ccc([N+](=O)[O-])cc1 100210247 DPGZWZHZTUCCHN-KHPPLWFESA-N 208.217 2.429 30 30 BEEC C=C(C)COC(=O)C(C)(C)C(=O)C(C)C 5440308 FSXGYMLVUVNGJH-UHFFFAOYSA-N 212.289 2.357 30 30 BEEC CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@H](O)O1 33985319 SSFLZIBVARYADM-DIMPHNJXSA-N 236.311 2.417 30 30 BEEC N#Cc1cc(C(=O)O)ccc1C(F)(F)F 83428720 BGQDDAISOZKNMR-UHFFFAOYSA-N 215.130 2.275 30 30 BEEC N#CC(C#N)=NNc1ccc(Cl)cc1 45245 LLQAOIITXFNWED-UHFFFAOYSA-N 204.620 2.155 30 30 BEEC CS/C(=N/C#N)NCCSC(C)(C)C 4693397 QTFSNAJDDGKDOE-UHFFFAOYSA-N 231.390 2.308 30 30 BEEC N#C[C@H](C(=O)Nc1ccccc1)c1cccnc1 2265384522 PBGAZSLQYQMUKM-ZDUSSCGKSA-N 237.262 2.327 30 30 BEEC N=C(S)NN=Cc1c(F)cccc1Cl 1905592 BPQDBWYSKJBEOP-UHFFFAOYSA-N 231.683 2.267 30 30 BEEC C#CCN(C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 34873322 KFYDBROQPJKCSA-LLVKDONJSA-N 232.283 2.091 30 30 BEEC in-vitro Cc1ccnc(CC#N)c1Br 235807968 ZAQXXATXPGIYSC-UHFFFAOYSA-N 211.062 2.219 30 30 BEEC CC(C)Cc1ccc(C=NNC(N)=S)cc1 252674575 SGHWUUOQYKMTFX-UHFFFAOYSA-N 235.356 2.052 30 30 BEEC CSc1c(C#N)c(-c2ccco2)nn1C 94812 AOTYZYJFLRDCSK-UHFFFAOYSA-N 219.269 2.274 30 30 BEEC N#Cc1cc2c(nc1Cl)CSCC2 82952736 NFOZTOSYSKEEOC-UHFFFAOYSA-N 210.689 2.396 30 30 BEEC COc1ccc(C(=O)C[C@@H](C)C#N)cc1 33426699 IAUJCVJRWZJGEY-SECBINFHSA-N 203.241 2.428 30 30 BEEC N#CC[C@H](O)c1ccc(Br)cc1 82292832 QBIXYALEBZJFSR-VIFPVBQESA-N 226.073 2.396 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@](C)(O)[C@@H](O)C[C@@H]21 256413958 DYPRFMBZYYFNBV-VMPUKSAESA-N 236.355 2.357 30 30 BEEC CCCCCCC[C@H](O)C(F)(F)C(=O)O 107030156 LKEIVSPNDMLTLO-QMMMGPOBSA-N 224.247 2.428 30 30 BEEC COc1ccc2ccc(=O)oc2c1/C=C/C(C)=O 14618683 FNFVAKUIMOKUQL-ZZXKWVIFSA-N 244.246 2.404 30 30 BEEC biogenic,in-vitro C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@](C)(O)[C@H](O)C[C@H]21 256413952 DYPRFMBZYYFNBV-NRFRHTMUSA-N 236.355 2.357 30 30 BEEC ON=Cc1c(Cl)ncn1-c1ccccc1 308525914 GCURUEUJLBIIRC-UHFFFAOYSA-N 221.647 2.334 30 30 BEEC CCOC(=O)[C@H](C#N)c1ccc(CC)cc1 39101987 RLMQWANMVQNMKN-GFCCVEGCSA-N 217.268 2.419 30 30 BEEC Cc1cccc2c1C(=O)C(=O)C1=C2OC[C@@H]1C 32222783 PLZWGTSUJCYDKC-QMMMGPOBSA-N 228.247 2.138 30 30 BEEC C=C(Br)C[C@@]1(C)CCC(=O)O1 196658731 XQUIWYUFVUWIFH-MRVPVSSYSA-N 219.078 2.381 30 30 BEEC CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C=O)C1 98096010 HFZOJUONOHDPHP-VHSXEESVSA-N 227.304 2.269 30 30 BEEC CC(C)Oc1ccc([N+](=O)[O-])cc1C#N 91306035 BUQPPZGVZHOVMA-UHFFFAOYSA-N 206.201 2.254 30 30 BEEC CCOC(=O)[C@@H]1O[C@]12CC1=C3CCC[C@H]3[C@H]2C1 255979047 IMKKADHOQOBOAV-NMKXLXIOSA-N 234.295 2.207 30 30 BEEC N#Cc1c(Br)ccc2c1OCO2 258517243 RTMNHQOZDWSUOI-UHFFFAOYSA-N 226.029 2.049 30 30 BEEC CC(C)(C)OC(=O)NC1CC(CS)C1 757165663 NGHTYYPDRIIBAA-UHFFFAOYSA-N 217.334 2.220 30 30 BEEC C[C@@H]1C(=O)C[C@@H]1B1OC(C)(C)C(C)(C)O1 2265385567 LQNPQAFRRJIPLZ-YUMQZZPRSA-N 210.082 2.058 30 30 BEEC C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@]3(O)C[C@H]12 105391727 LIDPBIULZNRIJE-GBOPCIDUSA-N 248.322 2.356 30 30 BEEC CN/C(=N\O)c1c(Cl)cccc1Cl 4709973 SWDMUTNMYUDPQL-UHFFFAOYSA-N 219.071 2.349 30 30 BEEC CC(=NO)c1ccc2nc(N)sc2c1 242750529 ZQTZTDPTMOJPDU-UHFFFAOYSA-N 207.258 2.077 30 30 BEEC C=CCOC(=O)C(F)(F)C(F)(Cl)Cl 33607176 YDSNWHBOQDVWSF-UHFFFAOYSA-N 237.004 2.452 30 30 BEEC CC(C)(C(=NO)c1ccccc1)n1ccnc1 1082839305 KHXOEINQXFOOHL-UHFFFAOYSA-N 229.283 2.497 30 30 BEEC COc1ccc(OC)c2c(CC#N)c[nH]c12 21995021 FNWXIEDNCPOANK-UHFFFAOYSA-N 216.240 2.251 30 30 BEEC N#Cc1cc(Cl)cc2sc(N)nc12 45237404 BMOGEXWSZXVKOJ-UHFFFAOYSA-N 209.661 2.404 30 30 BEEC N#C/C(=N\Nc1ccc(F)cc1F)C(=O)C1CC1 96403 WGOQFUAVXNYRKC-GZTJUZNOSA-N 249.220 2.235 30 30 BEEC Cc1nc(C)c(/C=[N+](\[O-])C(C)(C)C)nc1C 40919157 BESRYENXPUCIID-CHHVJCJISA-N 221.304 2.130 30 30 BEEC in-vitro N#Cc1cc(CO)cc(C(F)(F)F)c1 38276488 RVOANQAGOMVMLN-UHFFFAOYSA-N 201.147 2.069 30 30 BEEC CC(=O)c1nn(-c2ccc(C)cc2)cc1C#N 159259 SRVHDAHIUJFRME-UHFFFAOYSA-N 225.251 2.255 30 30 BEEC O/N=C/c1c(-c2ccccc2)nc2n1CCS2 17127327 KLWCYSLWARGWJD-MDWZMJQESA-N 245.307 2.464 30 30 BEEC CC(=NO)c1cnn(-c2ccccc2)c1C 308870025 IWAIVJFFDTYYFK-UHFFFAOYSA-N 215.256 2.379 30 30 BEEC CO[C@@H](CN=C(C)C)c1ccc(O)c(O)c1 39098570 UUKKOTGZHCTRRJ-LBPRGKRZSA-N 223.272 2.266 30 30 BEEC CCOC(=O)[C@@]1(CC)O[C@@H]1c1ccccc1 146968516 AOHTYJPWCAHBBT-YPMHNXCESA-N 220.268 2.470 30 30 BEEC CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CC#N 261317303 DJOAUNHYTPIEHP-RKDXNWHRSA-N 210.277 2.061 30 30 BEEC C=CCON=C(C)c1sc2ncnn2c1C 254835874 IVHQVUAVQCZJPA-UHFFFAOYSA-N 236.300 2.026 30 30 BEEC CC(C)(C)OC(=O)N1C[C@H](C=O)C(C)(C)C1 257956900 GJCUTGXTLPEJDI-SECBINFHSA-N 227.304 2.078 30 30 BEEC C[C@@]1(C#N)CC1(Br)Br 32197415 USNDLMWKPKVOAR-BYPYZUCNSA-N 238.910 2.406 30 30 BEEC N#Cc1c(Br)cnc2[nH]ccc12 85221936 QWIBSCOXGQEKFH-UHFFFAOYSA-N 222.045 2.197 30 30 BEEC C=COS(=O)(=O)c1ccc(Cl)c(C)c1 38636278 OKHXKDPGLQZKKE-UHFFFAOYSA-N 232.688 2.497 30 30 BEEC N#CCCn1ncc(C(=O)O)c1-c1ccccc1 42188428 ADCUOAJQCJMPLG-UHFFFAOYSA-N 241.250 2.162 30 30 BEEC in-vitro N#Cc1ccc(N2CCSCC2)c([N+](=O)[O-])c1 4347571 NSXUZGPKBJZZPH-UHFFFAOYSA-N 249.295 2.020 30 30 BEEC CC(=O)/C=C/[C@@H]1C(C)=CC[C@@H](O)C1(C)C 205079787 HEGYTNOVZBKKAI-BYAJROORSA-N 208.301 2.485 30 30 BEEC Cc1cn([C@H](C)/C(N)=N\O)c2ccccc12 39109912 RCYYKOXUPFHXNI-SECBINFHSA-N 217.272 2.257 30 30 BEEC N#Cc1cc(CN)cc(C(F)(F)F)c1 39115536 RSCKVQDVWADWAI-UHFFFAOYSA-N 200.163 2.036 30 30 BEEC N#Cc1c(O)nsc1Nc1ccccc1 15924361 GHXPCAXQBVCFNU-UHFFFAOYSA-N 217.253 2.464 30 30 BEEC in-vivo C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@](C)(O)[C@H](O)C[C@@H]21 256413943 DYPRFMBZYYFNBV-LEXUZLFXSA-N 236.355 2.357 30 30 BEEC O=C(O)C#Cc1ccccc1C(F)(F)F 60150334 FLVZIGGVBAYIAS-UHFFFAOYSA-N 214.142 2.142 30 30 BEEC C[C@H]1CNC[C@]1(C)B1OC(C)(C)C(C)(C)O1 2265385805 XBHBCIXPAPQIHX-CABZTGNLSA-N 225.141 2.078 30 30 BEEC C#CCOC(=O)Nc1ccc(OC(C)C)nc1 4335918 OPGONTFWONXHQF-UHFFFAOYSA-N 234.255 2.051 30 30 BEEC CC1(C)OB(c2ccc3cnoc3c2)OC1(C)C 206178998 DQYWKSWTZRFQCY-UHFFFAOYSA-N 245.087 2.127 30 30 BEEC N#CCC(=O)c1ccccc1OC(F)F 19427836 GNOQAQXIQNZMTM-UHFFFAOYSA-N 211.167 2.384 30 30 BEEC N#CC(N)(c1ccccc1)c1ccccc1 32153940 XLHAFLQPSYZDOK-UHFFFAOYSA-N 208.264 2.412 30 30 BEEC CCOC(=O)[C@@H]1O[C@@H]1c1ccc(CC)cc1 38171724 PJNXXWPQNHTLAO-VXGBXAGGSA-N 220.268 2.252 30 30 BEEC CC(C)(C)OC(=O)N[C@H]1C[C@H](CS)C1 2265360034 NGHTYYPDRIIBAA-ZKCHVHJHSA-N 217.334 2.220 30 30 BEEC COc1cccc(C=CC(=O)C=CN(C)C)c1 2265269988 NHZXROTVMVZZBR-UHFFFAOYSA-N 231.295 2.353 30 30 BEEC CCOC(=O)O/N=C(\N)c1ccc(Cl)cc1 4322683 BEHSINYQCBMNSX-UHFFFAOYSA-N 242.662 2.133 30 30 BEEC O=C(O)/C=C/C(=O)c1cccc(Cl)c1 22272 CAGNWJGEYYHSDK-SNAWJCMRSA-N 210.616 2.164 30 30 BEEC COC(=O)[C@]1(C)C[C@@H]1B1OC(C)(C)C(C)(C)O1 208412461 VJRBSUDMFZJDGJ-QPUJVOFHSA-N 240.108 2.032 30 30 BEEC O=[N+]([O-])C(F)(C(F)(F)F)C(F)(F)F 64220279 UISSYCBUFPISAT-UHFFFAOYSA-N 215.024 2.054 30 30 BEEC CON=Cc1cc([N+](=O)[O-])ccc1Cl 254905624 LJGMLARXYUJGNH-UHFFFAOYSA-N 214.608 2.229 30 30 BEEC N#Cc1c(F)cc([N+](=O)[O-])cc1Br 307519201 VYXSPESVIPEVIZ-UHFFFAOYSA-N 245.007 2.368 30 30 BEEC C#C[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 584883778 IKFCQDLWSRZTHV-GXFFZTMASA-N 221.300 2.267 30 30 BEEC CCO[C@@H]1CC(OC)=C[C@H]2C=C[C@]21C#N 256837918 HCWWAYOOLDARND-JLLWLGSASA-N 205.257 2.021 30 30 BEEC N#CC(=O)Nc1cccc(C(F)(F)F)c1 198669756 JXEIYKGBTQBYAZ-UHFFFAOYSA-N 214.146 2.167 30 30 BEEC CON=Cc1c(Cl)nc2sccn12 254619668 WBPNWBPKQRIWNG-UHFFFAOYSA-N 215.665 2.030 30 30 BEEC CCOC(=O)[C@@H]1O[C@@]12CC1=C3CCC[C@@H]3[C@H]2C1 255979046 IMKKADHOQOBOAV-KZVDOYCCSA-N 234.295 2.207 30 30 BEEC N#Cc1csc(I)c1 86690226 OHFYYYKHHMNDIV-UHFFFAOYSA-N 235.049 2.224 30 30 BEEC COC(=O)CCCCC(=NO)C(F)(F)F 675049935 BBBUZANKVPQBFU-UHFFFAOYSA-N 227.182 2.112 30 30 BEEC C=C(CCCC(=C)C(=O)OCC)C(=O)OCC 33605698 YBLZFSKXSXBQKF-UHFFFAOYSA-N 240.299 2.395 30 30 BEEC C#CCN[C@@H](C)c1ccc(C(=O)OCC)cc1 1772820818 PMQPPWMSPNXLNP-NSHDSACASA-N 231.295 2.147 30 30 BEEC N#C[C@H]1CNCc2ccc(Br)cc21 260394748 GKZMKRGOSIIZAD-QMMMGPOBSA-N 237.100 2.159 30 30 BEEC CCCC1=NN(c2ccccc2)C(=O)[C@@H]1C=O 101122744 CCHFYVPQOPJMFC-LLVKDONJSA-N 230.267 2.004 30 30 BEEC O=C1C=C(C2CCCCC2)C(=O)C=C1O 82095837 UVCREXQWKWMOJN-UHFFFAOYSA-N 206.241 2.087 30 30 BEEC N#Cc1cc(Br)c([N+](=O)[O-])s1 84232401 WHIYTPLNDQYIBZ-UHFFFAOYSA-N 233.046 2.290 30 30 BEEC CC(C)=NOCc1nc2ccccc2n1C 5420964 QLDKVEGPGBKPKC-UHFFFAOYSA-N 217.272 2.486 30 30 BEEC N#Cc1c(F)cccc1N1CCC(C#N)CC1 142934 HRJFIGRDFCSBGP-UHFFFAOYSA-N 229.258 2.437 30 30 BEEC CC1=C2OC(C)(C)O[C@@H]2CC(C)(C)C1=O 40435199 XNMQNTGJBBMQIX-MRVPVSSYSA-N 210.273 2.411 30 30 BEEC CC(C)Oc1ccc([C@@H](N)CC#N)cc1 95685003 SFFHRIJVFLHGDV-LBPRGKRZSA-N 204.273 2.387 30 30 BEEC C=C[C@]1(O)C[C@H](C)N(C)[C@@H]2CCCC[C@@H]21 238465361 DNTLHLDYMDJBDF-RVMXOQNASA-N 209.333 2.186 30 30 BEEC CC[C@@H]1C[C@H](c2ccccc2)S(=O)(=O)O1 38327452 UWBVOGPQFYCNNX-GHMZBOCLSA-N 226.297 2.256 30 30 BEEC c1cc(OC[C@@H]2CO2)c2scnc2c1 45236994 BNEGKKSHTBJBKC-ZETCQYMHSA-N 207.254 2.074 30 30 BEEC CCCCCCCC(=O)NCCC[N+](C)(C)[O-] 144083274 CRJZSZDHPVDIJD-UHFFFAOYSA-N 244.379 2.427 30 30 BEEC C#C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 197099182 KKGWTCIJHCXRTO-UWVGGRQHSA-N 239.315 2.380 30 30 BEEC O=[N+]([O-])c1cc(/C=N/Nc2ccccn2)cs1 4306789 DMPVDXXZKLEBRZ-WUXMJOGZSA-N 248.267 2.497 30 30 BEEC CC(C)c1c(OCC#N)ccc2c1OCCO2 39135179 LOWLPVJSJIJCEQ-UHFFFAOYSA-N 233.267 2.484 30 30 BEEC N#CCCOCCN(CCC#N)c1ccccc1 2504583 AEMNOPYAEDEKIP-UHFFFAOYSA-N 243.310 2.337 30 30 BEEC CC(C)c1ncc(B2OC(C)(C)C(C)(C)O2)o1 307207262 MGYUOWASNFATFI-UHFFFAOYSA-N 237.108 2.097 30 30 BEEC N#Cc1cc(C[C@@H]2CCCNC2)ccc1F 215988840 DIZDGLBBZDXYJE-NSHDSACASA-N 218.275 2.239 30 30 BEEC C=C1N(C)c2cc(CO)ccc2C1(C)C 100036119 AEHQXBMDJNFAGO-UHFFFAOYSA-N 203.285 2.420 30 30 BEEC C#C[C@@]1(CC)COCCN1C(=O)OC(C)(C)C 2265384961 LFIWCFUISCHKAR-CYBMUJFWSA-N 239.315 2.036 30 30 BEEC CCCC1=CC(=NN=c2cc[nH]cc2)C=CC1=O 2265369612 PHBLNRCSUHMCPW-UHFFFAOYSA-N 241.294 2.137 30 30 BEEC C=CC[C@]1(CO)CCCN1C(=O)OC(C)(C)C 34582205 HSFGAYNBAQCKHM-CYBMUJFWSA-N 241.331 2.325 30 30 BEEC O=CCc1ccc(I)cc1 40448470 NPPDFYGIWWHQBY-UHFFFAOYSA-N 246.047 2.033 30 30 BEEC CN(C)C=NC(=S)Nc1ccc(F)cc1 254737728 YOHRXWUDWAXXHB-UHFFFAOYSA-N 225.292 2.112 30 30 BEEC N#Cc1ccnc(Cl)c1Br 306484143 LYOQFCKDQDAMHU-UHFFFAOYSA-N 217.453 2.369 30 30 BEEC N#Cc1cnn(-c2ccc(Cl)c(F)c2)c1N 85938266 FHUVKJXCHYDELH-UHFFFAOYSA-N 236.637 2.119 30 30 BEEC CCOC(=O)C(C)(C)/N=C/c1ccccc1 22063674 KQZUKJIXUJVJRH-GXDHUFHOSA-N 219.284 2.447 30 30 BEEC in-vitro COc1cc(OC)c(/C(Cl)=N\O)c(OC)c1 36427777 WJFOGWONOCLQBD-ZRDIBKRKSA-N 245.662 2.087 30 30 BEEC CCc1cc(C(=S)/N=C(\C)N(C)C)ccn1 100280176 ZEKZIKHHYNFSLL-NTEUORMPSA-N 235.356 2.300 30 30 BEEC COc1ccc(C#N)c(Br)c1O 107717196 VFWFFQNTVQTDIU-UHFFFAOYSA-N 228.045 2.035 30 30 BEEC C=CCc1cc(OC)c(OC(C)=O)c(OC)c1 14680149 FDYLVSINANJYBC-UHFFFAOYSA-N 236.267 2.358 30 30 BEEC CCO[C@H](/C(N)=N/O)c1ccc(Cl)cc1 5650833 UGPIQQHRWONTHJ-VIFPVBQESA-N 228.679 2.164 30 30 BEEC CCc1nc(N)c(C#N)c(-c2ccc[nH]2)c1C 35296401 BELZXUNCHWFEKP-UHFFFAOYSA-N 226.283 2.401 30 30 BEEC COCc1ccc(Br)cc1C#N 238325018 PQDIHVYNILPMIT-UHFFFAOYSA-N 226.073 2.467 30 30 BEEC CC1=NOC(=NNc2ccccc2Cl)C1=O 309346550 KXGMHSLDIPEBLO-UHFFFAOYSA-N 237.646 2.041 30 30 BEEC CC1(B2OC(C)(C)C(C)(C)O2)CC(=O)C1 2265384712 NYMWAWCQYCFVLL-UHFFFAOYSA-N 210.082 2.202 30 30 BEEC Cc1nc(-c2ccccc2)nc(O)c1C#N 75620399 XPRIKNMRRNFONW-UHFFFAOYSA-N 211.224 2.029 30 30 BEEC N#Cc1cnn(C2CCC(F)(F)CC2)c1N 116919757 PSYAZOGUWFIFLN-UHFFFAOYSA-N 226.230 2.087 30 30 BEEC C[C@@H](Oc1ncccc1C#N)C(F)(F)F 90672861 LTYKSQRXRKEKJW-ZCFIWIBFSA-N 216.162 2.283 30 30 BEEC in-vitro Cc1csc(NC(=O)C(F)(F)F)c1C#N 80332 DVTGJGVVOCRWQW-UHFFFAOYSA-N 234.202 2.429 30 30 BEEC ON=Cc1ccc(Oc2ncccn2)cc1 382356196 IIQZDXJQUHLZSL-UHFFFAOYSA-N 215.212 2.077 30 30 BEEC C=C1COc2c(C=O)c(-c3ccccc3)nn2C1 725712408 PSDKOUHQTXQCDB-UHFFFAOYSA-N 240.262 2.311 30 30 BEEC N#Cc1cncc(-c2cccc(CO)c2)c1 71791964 JYNZDYKMYCJSEQ-UHFFFAOYSA-N 210.236 2.113 30 30 BEEC CN(C)/C=C/C(=O)c1cc(F)cc(Cl)c1O 140088 QTCZUPNXTASAAN-ONEGZZNKSA-N 243.665 2.443 30 30 BEEC CCCC1=NN(c2ccccc2)C(=O)[C@H]1C=O 101122746 CCHFYVPQOPJMFC-NSHDSACASA-N 230.267 2.004 30 30 BEEC CC(C)(C)OC(=O)NC1=CC(=O)CCC1 39093559 WLRSWFSXNWMACY-UHFFFAOYSA-N 211.261 2.148 30 30 BEEC COc1cc(OC)c2nc(C#N)sc2c1 45238077 DHLBNMHRYBZROD-UHFFFAOYSA-N 220.253 2.185 30 30 BEEC N#Cc1ccnc(N2CCC(F)(F)CC2)c1 261358533 WOZYEJLFSJCBFZ-UHFFFAOYSA-N 223.226 2.189 30 30 BEEC CC1=C[C@H](S[C@]2(S)CCO[C@H]2C)CO1 33506390 LNXJPLRQQUPVQW-LPEHRKFASA-N 232.370 2.457 30 30 BEEC O=C(ON=C1CCCc2occc21)C1CC1 254703810 QGKAIRNBQRQXOS-UHFFFAOYSA-N 219.240 2.273 30 30 BEEC N#CC1(c2ccc(F)cc2F)CC(=O)C1 86035115 PJYNAABTVLSRQR-UHFFFAOYSA-N 207.179 2.089 30 30 BEEC C=C[C@H](COC)c1ccccc1OC(=O)NC 2017388 DHGJHURZBNKHAO-SNVBAGLBSA-N 235.283 2.321 30 30 BEEC S=C(NN=C1CCCC1)N[C@H]1C[C@H]2C=C[C@H]1C2 100242566 UOOSNYCMDXLGIQ-NHCYSSNCSA-N 249.383 2.345 30 30 BEEC CC(C)(C)C(=O)[C@@H](C#N)c1ccncc1 87618569 PTGXVZNDPCLSRZ-JTQLQIEISA-N 202.257 2.304 30 30 BEEC C=CCOC(=O)c1ccccc1OCC 1598338 HMWJIVYDRIHMHM-UHFFFAOYSA-N 206.241 2.428 30 30 BEEC C#CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1 607716999 DGRCCZOCCOUXFH-GFCCVEGCSA-N 243.262 2.120 30 30 BEEC Cn1c(Sc2cccs2)nc(C#N)c1C#N 169403 AHYRCFJDXXAPKI-UHFFFAOYSA-N 246.320 2.376 30 30 BEEC CCOC(=O)[C@@H](C#N)c1ccc(CC)cc1 2530184 RLMQWANMVQNMKN-LBPRGKRZSA-N 217.268 2.419 30 30 BEEC COC(=O)c1oc2ccccc2c1N=CN(C)C 254306593 AKXCKWLQTUKMEJ-UHFFFAOYSA-N 246.266 2.441 30 30 BEEC C[C@](N)(c1ccc(C#N)cc1)C(F)(F)F 95748324 ZUPNMBVWWKXMHM-VIFPVBQESA-N 214.190 2.294 30 30 BEEC O=C1C=CO[C@@H](COCc2ccccc2)C1 34146143 IRQQAWBBQRVPSH-CYBMUJFWSA-N 218.252 2.075 30 30 BEEC CCOC(=O)[C@@H](C#N)c1c(F)cccc1F 90462710 ZVRUFDCUSRATQM-ZETCQYMHSA-N 225.194 2.135 30 30 BEEC C#CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 95761042 NHWWHIAYSRTQOJ-SNVBAGLBSA-N 209.289 2.267 30 30 BEEC CCOCOc1ccc2cc(C#N)c(=O)oc2c1 33979293 GWVWVNOJPMPUEH-UHFFFAOYSA-N 245.234 2.037 30 30 BEEC COc1ccc([C@]2(C#N)CCCN2C)cc1 75626737 UNAHDGVFECZDIV-CYBMUJFWSA-N 216.284 2.140 30 30 BEEC CCCCCCC[C@H]1N[C@H](C(=O)O)CS1 95722884 PBFKOPWETDLXRE-UWVGGRQHSA-N 231.361 2.463 30 30 BEEC CCCCCCCCCC(=O)NC(=N)N 100122725 LIEUIAOUJMFOJB-UHFFFAOYSA-N 213.325 2.137 30 30 BEEC CCCc1ccc(OC[C@@H]2CO2)c(OC)c1 59841483 UASPPRLOUSJLJY-NSHDSACASA-N 222.284 2.425 30 30 BEEC C#CC[N@+](C)([O-])[C@H](C)Cc1ccccc1 306121607 IVFPCTFUZXEDKP-OCCSQVGLSA-N 203.285 2.195 30 30 BEEC in-vitro CC1=CC(=O)c2[nH]c3ccccc3c2C1=O 1633851 XJTABSPWPMYLQX-UHFFFAOYSA-N 211.220 2.493 30 30 BEEC biogenic CCCOS(=O)(=O)c1ccccc1C 34275774 KLWJIJJDQKQAFS-UHFFFAOYSA-N 214.286 2.110 30 30 BEEC CON=CC(C#N)=NNc1ccc(Cl)cc1 254736017 DDNCNYFFRKHPNC-UHFFFAOYSA-N 236.662 2.264 30 30 BEEC CCc1cccc(C)c1NC(=O)CC#N 6125515 UYKGOZMSPCHNQI-UHFFFAOYSA-N 202.257 2.410 30 30 BEEC C#C[C@@](C)(O)c1ccccc1Br 84877234 QFPIIHGBCPTSMN-SNVBAGLBSA-N 225.085 2.290 30 30 BEEC in-vitro CC[C@H](C)[C@H](C#N)c1nc(C(=O)O)cs1 150336282 GKFXGKIBVFDKBP-BQBZGAKWSA-N 224.285 2.495 30 30 BEEC Cc1cc(S(=O)(=O)CC#N)c(C)cc1Cl 91638 DVOJRSHENWIDPA-UHFFFAOYSA-N 243.715 2.254 30 30 BEEC O=c1c(C=NO)coc2ccc(Cl)cc12 254837455 AWIKSFBLABQLSG-UHFFFAOYSA-N 223.615 2.255 30 30 BEEC O=C(C=NO)Nc1ccc(Cl)c(Cl)c1 254762850 DHNYOOWCULCVEH-UHFFFAOYSA-N 233.054 2.392 30 30 BEEC CCB1OC[C@@H](CCC[C@@H]2COB(CC)O2)O1 195761669 YPZCCPNBYSERMB-GHMZBOCLSA-N 239.917 2.004 30 30 BEEC C[C@]1(CCC#N)N=C(c2ccccc2)OC1=O 39139992 DZNPPNMXOZKFFS-CYBMUJFWSA-N 228.251 2.052 30 30 BEEC Cc1ccc(-n2ncc(C#N)c2F)cc1 72190420 RFCYPBNEZMIXAK-UHFFFAOYSA-N 201.204 2.192 30 30 BEEC C=CCc1cc([N+](=O)[O-])ccc1C(=O)O 34431108 RGVJIVBMBXDHMD-UHFFFAOYSA-N 207.185 2.022 30 30 BEEC Cc1ccn(-c2ccc(C#N)cc2F)n1 52884184 OLHRXTZWPLISBQ-UHFFFAOYSA-N 201.204 2.192 30 30 BEEC CC(C)(C)OC(=O)N1CC=C(CS)CC1 258031593 KCOUVRAEHNQIOM-UHFFFAOYSA-N 229.345 2.483 30 30 BEEC CCOC(=O)/C=N/[C@H](C)c1ccccc1 114814213 VHFZIBNRJPBOBX-QQMDNXKGSA-N 205.257 2.382 30 30 BEEC CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1 5191791 FTCAQUBXEGKQTD-JTQLQIEISA-N 210.273 2.254 30 30 BEEC endogenous,in-man C=C(C)C(=O)O[C@@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 2265385193 OOIBFPKQHULHSQ-OGCHZXDESA-N 236.311 2.189 30 30 BEEC CN(C)C=CC(=O)C=Cc1ccccc1 2265237895 CPAPAUUVHVLWMO-UHFFFAOYSA-N 201.269 2.344 30 30 BEEC Cc1cc(/C=N\N(C)c2ccccc2)cc[n+]1C 201380479 VVNOLSDZCXLOKQ-UHFFFAOYSA-N 240.330 2.290 30 30 BEEC N#CCc1nc2ccccn2c1Br 27231924 LVHBQMKKBTUEDR-UHFFFAOYSA-N 236.072 2.163 30 30 BEEC N#Cc1ccc(N2N=C3CCCC[C@@H]3C2=O)cc1 104708989 KAONMGJPCLXUGI-LBPRGKRZSA-N 239.278 2.451 30 30 BEEC O=CCc1c(Cl)nc(Cl)nc1Cl 230539713 MZYDTDQBKJFHGC-UHFFFAOYSA-N 225.462 2.178 30 30 BEEC O=C(C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)NO 2265212974 JKZCKUGJZBWOQO-GOCCLTDMSA-N 209.289 2.098 30 30 BEEC C=CCc1cc(C)c(O)c(C(=O)OC)c1 238355104 FSQMWMQMBYCQQL-UHFFFAOYSA-N 206.241 2.216 30 30 BEEC CC(=O)Nc1ccc(C(=O)CCC#N)cc1 3180732 QLZMFJUINFRZMG-UHFFFAOYSA-N 216.240 2.131 30 30 BEEC COC(=O)[C@@]1(C)C[C@H]1B1OC(C)(C)C(C)(C)O1 195894163 VJRBSUDMFZJDGJ-PELKAZGASA-N 240.108 2.032 30 30 BEEC COC(=O)OCCN(CCC#N)c1ccccc1 33610896 VOKMGOLQEBPKNR-UHFFFAOYSA-N 248.282 2.190 30 30 BEEC N#Cc1cc(Cl)c(CO)c(Cl)c1 716270522 YFKXLUQXLAEFAB-UHFFFAOYSA-N 202.040 2.357 30 30 BEEC C=CCONC(=O)OCc1ccccc1 307288603 XFWADCMXFGHAIF-UHFFFAOYSA-N 207.229 2.030 30 30 BEEC CN/N=C(/S)Nc1ccc(Cl)cc1 13659051 DFIOICVMUZLOBX-UHFFFAOYSA-N 215.709 2.172 30 30 BEEC N#Cc1cc(C(F)(F)F)ccc1-n1cncn1 36926944 ZHVMWTCBTXFGGR-UHFFFAOYSA-N 238.172 2.158 30 30 BEEC in-vitro CCCCCCCCN1C[C@@H](C(=O)O)CC1=O 100313063 KTVSYQGGEIIOPJ-NSHDSACASA-N 241.331 2.280 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H](O)[C@](C)(O)C[C@@H]21 256423343 IWEFLIJBBPZMBB-ALXNTHISSA-N 236.355 2.357 30 30 BEEC CCCN(C(=O)OC)c1snc(C)c1C#N 669371645 NAXXJRSORPZKLX-UHFFFAOYSA-N 239.300 2.306 30 30 BEEC CCCCc1ccc(NC(=O)C=NO)cc1 254878079 VYMHNPKUEJCKLX-UHFFFAOYSA-N 220.272 2.428 30 30 BEEC Cc1ccc(C/N=C(/S)N(C)C)cc1 13659144 KDZGLGGNXGTKFP-UHFFFAOYSA-N 208.330 2.342 30 30 BEEC CCOc1ccc([N+](=O)[O-])c(F)c1C#N 575671283 VZNITMKKICEMGN-UHFFFAOYSA-N 210.164 2.004 30 30 BEEC [O-][N+](=Cc1ccncc1)Cc1ccccc1 2265233903 UKGWHZWAAZBIJH-UHFFFAOYSA-N 212.252 2.211 30 30 BEEC C=CCOc1ccc(OC[C@H]2CO2)cc1 6744770 DFBHOGPZPXMYJJ-LBPRGKRZSA-N 206.241 2.029 30 30 BEEC CNC(=S)N/N=C/c1cccc2ccccc12 172071 WURPDTLDPFJORG-OQLLNIDSSA-N 243.335 2.268 30 30 BEEC COc1ccccc1N/C(=N\C#N)SC 4695502 GRGOLBIAMCXKSC-UHFFFAOYSA-N 221.285 2.307 30 30 BEEC CCOC(=O)C(C)(C)c1cccc(C#N)c1 52233074 XQVYPZKYLFMKDV-UHFFFAOYSA-N 217.268 2.399 30 30 BEEC N#C[C@@H](C(=O)c1ccco1)c1cccnc1 87617814 YHVSFLLDJMKBBN-SNVBAGLBSA-N 212.208 2.165 30 30 BEEC CCCCCCCC1=NCCN1CCN 100297038 LIOIKZJJHQUNKR-UHFFFAOYSA-N 211.353 2.020 30 30 BEEC CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F 3604269 KUGBQWBWWNPMIT-UHFFFAOYSA-N 232.070 2.497 30 30 BEEC CCCCCCCC(C(=O)OC)C(=O)OC 2551657 UPVFLKZRQSPLQQ-UHFFFAOYSA-N 230.304 2.309 30 30 BEEC N#Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 16946305 WSTKXOBIOIHHBR-UHFFFAOYSA-N 248.241 2.360 30 30 BEEC N#Cc1cc(F)c(Cl)c([N+](=O)[O-])c1 149145792 KKGKVPMYJVOIRR-UHFFFAOYSA-N 200.556 2.259 30 30 BEEC in-vitro CCC(=NOCc1ccccc1)C(=O)O 263611783 XMAAOPAZUBODOG-UHFFFAOYSA-N 207.229 2.054 30 30 BEEC Cc1noc(C)c1C(=O)Nc1ccc(C#N)cc1 111936 ILOWXTHMAGRAQL-UHFFFAOYSA-N 241.250 2.415 30 30 BEEC C#Cc1nc(Cl)ccc1Br 238581805 VEVLARAPPPUJKF-UHFFFAOYSA-N 216.465 2.479 30 30 BEEC ON=Cc1ccc(OCc2ccncc2)cc1 725274137 CPMLLYKPNQNQPM-UHFFFAOYSA-N 228.251 2.469 30 30 BEEC CNC(=O)O/N=C(C)/C=C/c1ccccc1 4323888 VXZHNVJEFKNUQT-ANVLWLQNSA-N 218.256 2.432 30 30 BEEC Cc1cc(Br)cc(CC#N)n1 95642101 GWQMYQPTNGGHON-UHFFFAOYSA-N 211.062 2.219 30 30 BEEC Cc1cc(C#C[Si](C)(C)C)c(C#N)cn1 197957732 KKHATYRXGOQKKT-UHFFFAOYSA-N 214.344 2.491 30 30 BEEC CCCCCCCCOC(=O)[C@@H](N)CS 1605338 PZPIGHAWKQWPMA-JTQLQIEISA-N 233.377 2.147 30 30 BEEC C#CC[C@]12CC=CC[C@H]1C(C)(C)OC2=O 38363651 ZRKFSIFRPJSABF-GWCFXTLKSA-N 204.269 2.298 30 30 BEEC C[C@@H](Oc1ccc(F)cc1)C(=O)C=CN(C)C 2265271973 SIJZGDNPBRHVBR-SNVBAGLBSA-N 237.274 2.237 30 30 BEEC C#CCC1(C(=O)OC(C)(C)C)CCOCC1 1535542723 QZCBHOYIJGRPJQ-UHFFFAOYSA-N 224.300 2.148 30 30 BEEC C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 38765206 SIRQOZVFCRSBNJ-SECBINFHSA-N 243.303 2.019 30 30 BEEC N#Cc1cc(N)ccc1OC1CCCC1 40887412 GZPMPQMTTUODKA-UHFFFAOYSA-N 202.257 2.462 30 30 BEEC COC(=O)N(C(=S)C#N)c1ccc(C)cc1 39125112 HXUPUHQVTBFUQK-UHFFFAOYSA-N 234.280 2.419 30 30 BEEC CCCOc1ccc(CC(=O)NO)cc1Cl 5298821 QGQQPPFXESPMCO-UHFFFAOYSA-N 243.690 2.177 30 30 BEEC CC1=C(O)C(=O)c2ccc(C)cc2C1=O 14448049 QOKALUAMROUVEI-UHFFFAOYSA-N 202.209 2.206 30 30 BEEC Cc1nc(C#N)sc1Br 72192986 YQOVRWQIWSSXEV-UHFFFAOYSA-N 203.064 2.086 30 30 BEEC N#Cc1c(Br)ccc(N)c1F 75926385 GOGBAGGPPPUULH-UHFFFAOYSA-N 215.025 2.042 30 30 BEEC C=CC[C@]1(Cl)C(=O)c2ccccc2N(C)C1=O 39124023 XOPGKJZLWXZAGP-ZDUSSCGKSA-N 249.697 2.399 30 30 BEEC ON=Cc1cccn1-c1ccccc1F 254294203 HMBBKNMWCKFKMB-UHFFFAOYSA-N 204.204 2.425 30 30 BEEC CCOC(=O)[C@@H]1O[C@]12CC1=C3CCC[C@@H]3[C@H]2C1 255979049 IMKKADHOQOBOAV-OPDFLTKYSA-N 234.295 2.207 30 30 BEEC Cc1ccc(CNC[C@H](C)C#N)c(F)c1 602607854 MXABMSQCPBECEC-SNVBAGLBSA-N 206.264 2.383 30 30 BEEC COc1cc(OC)c(OC)cc1CS 38952326 PDKCUIQKBZNCCO-UHFFFAOYSA-N 214.286 2.142 30 30 BEEC C#CC[N@@+](C)([O-])[C@H](C)Cc1ccccc1 306121608 IVFPCTFUZXEDKP-TZMCWYRMSA-N 203.285 2.195 30 30 BEEC in-vitro CCCc1ccc(OC[C@H]2CO2)c(OC)c1 59841484 UASPPRLOUSJLJY-LLVKDONJSA-N 222.284 2.425 30 30 BEEC CCOC(=O)[C@](C)(C#N)c1ccccc1F 95829322 BPAUZMQCSIBDRD-GFCCVEGCSA-N 221.231 2.170 30 30 BEEC CCOc1c([N+](=O)[O-])ccc(F)c1C#N 575670332 JPBHOZYUBXCFNQ-UHFFFAOYSA-N 210.164 2.004 30 30 BEEC C=CCOc1ccc(/C=C/[N+](=O)[O-])cc1 2154950 KUXFIAUFKSDYBY-BQYQJAHWSA-N 205.213 2.499 30 30 BEEC COC(=O)[C@@H]1CCCc2cc(C#N)ccc21 642882227 DXFXQDFDHSETGC-GFCCVEGCSA-N 215.252 2.151 30 30 BEEC N#CCCCSc1ncccc1C(=O)O 3134019 BCSAYTMEMRUBBI-UHFFFAOYSA-N 222.269 2.176 30 30 BEEC C=C[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)O1 5166625 IRWLDXUJBJPFNV-CMPLNLGQSA-N 212.289 2.452 30 30 BEEC biogenic C(=N/CC/N=C/c1ccccn1)\c1ccccn1 6118986 LFLIOYNYGXICME-JOBJLJCHSA-N 238.294 2.015 30 30 BEEC C=C[C@@H](COC)c1ccccc1OC(=O)NC 2017389 DHGJHURZBNKHAO-JTQLQIEISA-N 235.283 2.321 30 30 BEEC C=CCOc1ccc(OC[C@@H]2CO2)cc1 6744761 DFBHOGPZPXMYJJ-GFCCVEGCSA-N 206.241 2.029 30 30 BEEC N#Cc1cccc2sc(C(=O)O)cc12 98181552 VBBNNPMFELXELE-UHFFFAOYSA-N 203.222 2.471 30 30 BEEC COCOc1ccc(C#N)c(Br)c1 2265383709 VKDFMBFOLLHMDX-UHFFFAOYSA-N 242.072 2.303 30 30 BEEC CCN(C(=S)C#N)c1ccc(OC)cc1 39124893 KIFMGPQKFOVRIX-UHFFFAOYSA-N 220.297 2.372 30 30 BEEC C#CCNc1cccc(C(F)(F)F)n1 39325646 JAMWFFWOAYQADA-UHFFFAOYSA-N 200.163 2.146 30 30 BEEC CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C=O)C1 98096013 HFZOJUONOHDPHP-ZJUUUORDSA-N 227.304 2.269 30 30 BEEC O=CC(=NNc1ccccc1)C(=O)c1ccco1 254818118 DFAHAWHPFTWAGJ-UHFFFAOYSA-N 242.234 2.129 30 30 BEEC O=C1C=CC=CC1=C1Nc2ccccc2O1 2265369643 UWUSYRFTCSSHAJ-UHFFFAOYSA-N 211.220 2.398 30 30 BEEC OCc1ccc(C#CC(F)(F)F)cc1 98210026 PCHPXCGVZYVCQT-UHFFFAOYSA-N 200.159 2.093 30 30 BEEC in-vitro N#Cc1ccc(C[C@@H]2CCCCN2)cc1 215033471 AAUPCZZDLOSNNX-ZDUSSCGKSA-N 200.285 2.243 30 30 BEEC COc1ccc(Br)cc1CC=O 1435956 LQQJQOGVWKEJSZ-UHFFFAOYSA-N 229.073 2.199 30 30 BEEC C/C(=N\CCc1ccccc1)[C@H]1CCOC1=O 4697451 NJGMMILBDLSEMX-WDGDVPDHSA-N 231.295 2.253 30 30 BEEC Cc1nc(N)c(C#N)c(-c2cccn2C)c1C 35283517 BDQVUPYOVTWNTK-UHFFFAOYSA-N 226.283 2.158 30 30 BEEC CC1(C)OB(c2cccc3oncc23)OC1(C)C 203568852 VTWZQGBUHMYACM-UHFFFAOYSA-N 245.087 2.127 30 30 BEEC COc1ccc(C=CC(=O)CCC(=O)O)cc1 2265269911 GYZWBYCGXJEGKK-UHFFFAOYSA-N 234.251 2.142 30 30 BEEC CCOC(=O)[C@@H]1O[C@H]1c1ccc(CC)cc1 38171725 PJNXXWPQNHTLAO-NWDGAFQWSA-N 220.268 2.252 30 30 BEEC C=C(C)C(=O)OC(C)(C)[N+](C)(CC)CC 141913355 QCWBLEHIBOLGDZ-UHFFFAOYSA-N 214.329 2.328 30 30 BEEC CC(C)(C)OC(=O)N[C@H]1C[C@@H](CS)C1 757160287 NGHTYYPDRIIBAA-OCAPTIKFSA-N 217.334 2.220 30 30 BEEC CN(C)C=Nc1cc(Cl)ccc1C(=O)O 254429031 RUZFLYPLALWQFC-UHFFFAOYSA-N 226.663 2.260 30 30 BEEC CCCCCCCC1=NCCN1CCO 100297042 MTEKQDXWVXZMDN-UHFFFAOYSA-N 212.337 2.053 30 30 BEEC C1CC1B1OB(C2CC2)OB(C2CC2)O1 203920823 CXSNHRMLYCIRHU-UHFFFAOYSA-N 203.652 2.006 30 30 BEEC C=CCc1cccc(C(=O)OC)c1OC 196178872 WGGSHMOQKDJBSA-UHFFFAOYSA-N 206.241 2.210 30 30 BEEC CN(C)/C=C1\COc2ccc(Cl)cc2C1=O 33364923 JCCGUZOJHMHZKT-SOFGYWHQSA-N 237.686 2.361 30 30 BEEC CC(=O)C(C#N)=NNc1ccccc1Cl 252594580 BTRISZXAHJATIP-UHFFFAOYSA-N 221.647 2.220 30 30 BEEC CCCCCCCC[n+]1cccc(C(N)=O)c1 1726156 XWYBIHOQNIVTQE-UHFFFAOYSA-O 235.351 2.434 30 30 BEEC CC(=O)/N=c1/oc(C)c(C#N)c2ccccc12 335972 MBPUQAHSFIIQRP-FYWRMAATSA-N 226.235 2.060 30 30 BEEC N#Cc1c(N)nc2c(c1-c1ccncc1)CCC2 35299463 GVVXMUGQWPDMGD-UHFFFAOYSA-N 236.278 2.086 30 30 BEEC C=C(C)C(=O)OC(OC(=O)C(=C)C)C(C)C 38656846 NDZSUXVVRBJKGP-UHFFFAOYSA-N 226.272 2.207 30 30 BEEC C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 137100240 SIRQOZVFCRSBNJ-VIFPVBQESA-N 243.303 2.019 30 30 BEEC CC1(B2OC(C)(C)C(C)(C)O2)CCNCC1 2265385534 HNVFADHJNYQINJ-UHFFFAOYSA-N 225.141 2.222 30 30 BEEC CCOC(=O)c1cc(C#N)c(SC)nc1C 123416 QIPQZNAEXRSZTC-UHFFFAOYSA-N 236.296 2.160 30 30 BEEC N#C[C@@H](C(=O)Nc1ccccc1)c1cccnc1 2265384521 PBGAZSLQYQMUKM-CYBMUJFWSA-N 237.262 2.327 30 30 BEEC C=CCC(CC=C)(C(C)=O)C(=O)OCC 5650505 IOZNORWPBHWYBA-UHFFFAOYSA-N 210.273 2.277 30 30 BEEC O[C@@H](C(F)(F)F)C(F)(F)C(F)(F)F 100095690 ZVXAXABPTOPGDK-PVQJCKRUSA-N 218.043 2.107 30 30 BEEC CC(C)C[C@@H](C=O)CNC(=O)OC(C)(C)C 220538627 DORQCCNLYAGUSQ-SNVBAGLBSA-N 229.320 2.372 30 30 BEEC C=C[C@H]1CC[C@@H](C=O)N1C(=O)OC(C)(C)C 238147013 WVSFXGPQUWBNFM-UWVGGRQHSA-N 225.288 2.139 30 30 BEEC COP(=O)(OC)Oc1ccc(C#N)cc1 2000992 UYPOZCXBRKUQSO-UHFFFAOYSA-N 227.156 2.338 30 30 BEEC COc1ccc(O[C@@H](C)C(=O)C=CN(C)C)cc1 2265270008 QZVWYDBTEZXGBP-NSHDSACASA-N 249.310 2.107 30 30 BEEC CC(=O)OCc1ccc(Cl)cc1C#N 95218364 KARHIRHASQFDHI-UHFFFAOYSA-N 209.632 2.275 30 30 BEEC in-vitro CCCCCCCO[C@@H](C)C(=O)C=O 100314202 IBBSMXUZKRPJRG-JTQLQIEISA-N 200.278 2.130 30 30 BEEC Cc1ccc(C#CC2(O)CCCCC2)cn1 33756007 IELAPYICSDDDGY-UHFFFAOYSA-N 215.296 2.437 30 30 BEEC C=C(Br)CC(C)(C)C(=O)O 238159901 ACAPMSLCJMXNFT-UHFFFAOYSA-N 207.067 2.396 30 30 BEEC C#Cc1cccc(N2C(=O)C[C@H](CC=C)C2=O)c1 100384468 NPLZNMXSHOHMEE-LBPRGKRZSA-N 239.274 2.124 30 30 BEEC CC1(C)OB(C2=CC[C@@H](C(=O)O)C2)OC1(C)C 2265364034 CKBXSHPUEXZFFN-MRVPVSSYSA-N 238.092 2.039 30 30 BEEC CN(C)N/C(=N\O)c1c(Cl)cccc1Cl 4698140 MREAERAGKNZRQF-UHFFFAOYSA-N 248.113 2.195 30 30 BEEC N#Cc1ccc(N2N=C3CCCC[C@H]3C2=O)cc1 104708985 KAONMGJPCLXUGI-GFCCVEGCSA-N 239.278 2.451 30 30 BEEC CCOc1cc(C(F)(F)F)cnc1C#N 109631 MBNYTIGBRLHNLL-UHFFFAOYSA-N 216.162 2.371 30 30 BEEC CC/C(Cl)=N/OC(=O)N(CC)CC 95678062 AHWRKXVOKXWPEB-YFHOEESVSA-N 206.673 2.427 30 30 BEEC CCB1OC[C@H](CCC[C@H]2COB(CC)O2)O1 195761670 YPZCCPNBYSERMB-QWRGUYRKSA-N 239.917 2.004 30 30 BEEC N#Cc1c(F)cc(Br)cc1[N+](=O)[O-] 307638591 YHJSZPNZIKXNDG-UHFFFAOYSA-N 245.007 2.368 30 30 BEEC C=C[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)O1 5166366 IRWLDXUJBJPFNV-ZYHUDNBSSA-N 212.289 2.452 30 30 BEEC biogenic CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC#N 261317302 DJOAUNHYTPIEHP-IUCAKERBSA-N 210.277 2.061 30 30 BEEC COC(=O)O/N=C(\C)C(=O)c1ccccc1 38632658 ZOSXMYXXXWLINL-XYOKQWHBSA-N 221.212 2.028 30 30 BEEC O=C1C=COC12CCN(Cc1ccccc1)CC2 675050624 DVNXFIAYIZOBGV-UHFFFAOYSA-N 243.306 2.134 30 30 BEEC Cc1csc(CNc2ccnc(C#N)c2)n1 61811834 VBXFIUUGFDEANG-UHFFFAOYSA-N 230.296 2.330 30 30 BEEC CCOC(=O)[C@@](C)(C#N)c1ccccc1F 95829320 BPAUZMQCSIBDRD-LBPRGKRZSA-N 221.231 2.170 30 30 BEEC CC(C)(C=O)[C@H](C[N+](=O)[O-])c1ccccc1 82163964 RDPSRQAHEBIFRW-LLVKDONJSA-N 221.256 2.272 30 30 BEEC in-vitro CCOC(=O)[C@@]1(CC)O[C@H]1c1ccccc1 146968887 AOHTYJPWCAHBBT-AAEUAGOBSA-N 220.268 2.470 30 30 BEEC CCN(CC#N)C(=O)OCc1ccccc1 34206926 QVXHGOBRFWRKPA-UHFFFAOYSA-N 218.256 2.169 30 30 BEEC N#Cc1ccc([C@@H](N)C(F)(F)F)cc1 72191404 IAHRECCKLMBEKX-MRVPVSSYSA-N 200.163 2.120 30 30 BEEC CCCCCCCCCNCCNC(C)=O 95862431 YFWXSUYHFNMACR-UHFFFAOYSA-N 228.380 2.463 30 30 BEEC O=C1/C(=C\c2ccsc2)N2CCC1CC2 69270 YXFBTPRFLODMDF-YRNVUSSQSA-N 219.309 2.384 30 30 BEEC CC(C)(C)OC(=O)NC1CC[C@@H]2O[C@H]2CC1 1535643997 QTYYSIVTVHWFHY-UWVGGRQHSA-N 227.304 2.221 30 30 BEEC N#CCc1cc(Br)c2c(c1)CCO2 95929157 OFKIACWNGTVZTL-UHFFFAOYSA-N 238.084 2.450 30 30 BEEC CC[C@@]1(c2ccccc2)O[C@@H]1OC(C)=O 39101157 UJCQNBYEXQZIAD-RYUDHWBXSA-N 206.241 2.211 30 30 BEEC N#Cc1ccc2nc3c(nc2c1)CCCC3 153840 KBNWDMFMIKHGTQ-UHFFFAOYSA-N 209.252 2.380 30 30 BEEC COc1ccc2c(c1)c(CC#N)cn2C 39149140 PZPFLMOOTACHJO-UHFFFAOYSA-N 200.241 2.253 30 30 BEEC COc1ccc(C(Cl)=NO)cc1F 242464043 DTSYHJRTWLCQJV-UHFFFAOYSA-N 203.600 2.209 30 30 BEEC N#Cc1cnc(Oc2ccc(Cl)cc2)nc1N 1046883 XYKFJYRVADPUDA-UHFFFAOYSA-N 246.657 2.376 30 30 BEEC C=CCCc1ncncc1Br 91366378 HKIWBFYKJXBMOD-UHFFFAOYSA-N 213.078 2.358 30 30 BEEC N#Cc1ssc(C#N)c(C#N)sc1C#N 604936637 FJXLAYHHKGJKHQ-UHFFFAOYSA-N 248.317 2.482 30 30 BEEC N#CC[C@@H](O)c1ccc(Br)cc1 82292830 QBIXYALEBZJFSR-SECBINFHSA-N 226.073 2.396 30 30 BEEC ON=Cc1ccc(I)cc1 254631014 NVYLBKHPSREQBQ-UHFFFAOYSA-N 247.035 2.099 30 30 BEEC ON=Cc1ccc(OCc2ccccn2)cc1 606346473 AGUVUXAOCICWQD-UHFFFAOYSA-N 228.251 2.469 30 30 BEEC CC1(C)OB([C@H]2CC2(F)F)OC1(C)C 1083814343 OSDYISVTBIZNJW-LURJTMIESA-N 204.025 2.488 30 30 BEEC [N-]=[N+]=Nc1cccc(Cl)c1-c1nnn[nH]1 47844166 NCDDDDHHUCILSM-UHFFFAOYSA-N 221.611 2.462 30 30 BEEC in-vitro CC(=O)/C=C/[C@H]1C(C)=CC[C@@H](O)C1(C)C 223665893 HEGYTNOVZBKKAI-FNSAGKMKSA-N 208.301 2.485 30 30 BEEC Cc1nc(C)c(-c2ccnc(N/C=N/O)n2)s1 17860071 OVKZTPFHUYGZBI-UHFFFAOYSA-N 249.299 2.046 30 30 BEEC in-vivo C[C@@H]1CC(=O)C=CN1C(=O)Oc1ccccc1 1010534 YLUKOINHKLEUIR-SNVBAGLBSA-N 231.251 2.362 30 30 BEEC CS/C(N)=N\N=C\c1c(F)cccc1Cl 8552917 ZHUFUOMUUBISIZ-WLRTZDKTSA-N 245.710 2.491 30 30 BEEC C=CCn1c(=S)sc2c(=O)[nH]c(C)nc21 18008542 SRLUVQVTQDARDE-UHFFFAOYSA-N 239.325 2.010 30 30 BEEC CC(=NO)c1ccc(-n2cccn2)cc1 389292832 ISBXZCCXVXTLMO-UHFFFAOYSA-N 201.229 2.071 30 30 BEEC COc1cc2oc(=O)ccc2cc1/C=C/C(C)=O 14718280 GSVYFPMXLIFUDJ-ONEGZZNKSA-N 244.246 2.404 30 30 BEEC endogenous,in-man CCCCCCCC(=O)NCCCN(C)C 103785539 RZJGTTOKUNMVCJ-UHFFFAOYSA-N 228.380 2.415 30 30 BEEC in-vitro CC1=C2OC(C)(C)O[C@H]2CC(C)(C)C1=O 40435200 XNMQNTGJBBMQIX-QMMMGPOBSA-N 210.273 2.411 30 30 BEEC CCc1cc(Br)cc(C#N)n1 204076909 XKYAMWZZIVNHCO-UHFFFAOYSA-N 211.062 2.278 30 30 BEEC COc1cc(C#N)c(F)cc1Br 238463258 WCVHGSOIGOLLFV-UHFFFAOYSA-N 230.036 2.468 30 30 BEEC C#Cc1cc(Br)ccc1OC 91297051 AWJJYCOBHKTAKV-UHFFFAOYSA-N 211.058 2.439 30 30 BEEC CCN(CCC#N)c1cccc(NC(C)=O)c1 34109852 WTEINCFQQDGGPB-UHFFFAOYSA-N 231.299 2.385 30 30 BEEC ON=Cc1c(F)c(F)c(F)c(F)c1F 245263900 BLPMMKRVLZHPJP-UHFFFAOYSA-N 211.089 2.190 30 30 BEEC CC(=NO)c1cnn(Cc2ccccc2)c1C 390792785 DFXUYSAOIOPAKV-UHFFFAOYSA-N 229.283 2.438 30 30 BEEC Cc1cc(N=CC=CN=c2cc(C)o[nH]2)no1 2265279773 PVIDELJYFOZGJO-UHFFFAOYSA-N 232.243 2.029 30 30 BEEC CN(C)/C=C1\CSc2sccc2C1=O 12368916 GZQNVHUNQLRWGH-FNORWQNLSA-N 225.338 2.482 30 30 BEEC CCCCCCCC(=O)OC[C@H](C)O 90158525 GHHURQMJLARIDK-JTQLQIEISA-N 202.294 2.271 30 30 BEEC COC(CNc1cccc(Cl)c1C#N)OC 141450 OWMKKMQYEYGNBW-UHFFFAOYSA-N 240.690 2.242 30 30 BEEC CC(=O)Nc1ccc(C(=O)[C@H](C)CC#N)cc1 82296812 CTVBMXSZFOXLEH-SECBINFHSA-N 230.267 2.377 30 30 BEEC CC(C)(C)C(=O)[C@H](C#N)c1ccncc1 87618571 PTGXVZNDPCLSRZ-SNVBAGLBSA-N 202.257 2.304 30 30 BEEC CC1=NN=C(O)/C1=N\Nc1ccccc1Cl 95082638 GCFOFUWHRPNGJP-UHFFFAOYSA-N 236.662 2.454 30 30 BEEC C=C(C)Cc1c(C)nc(SCC)[nH]c1=O 18125034 GHAKCDQQMUHXJT-UHFFFAOYSA-N 224.329 2.309 30 30 BEEC C=C(C)C[C@H](C=O)NC(=O)OC(C)(C)C 39093739 RVOIREFTVREURB-SECBINFHSA-N 213.277 2.045 30 30 BEEC CC(=O)ONC(=O)c1ccc2ccccc2c1 5166260 UDRJIRXNGIDROL-UHFFFAOYSA-N 229.235 2.048 30 30 BEEC C/C(=N\OCC(=O)O)c1ccc(Cl)cc1 12367178 VPZKWIDEBRBPHA-KPKJPENVSA-N 227.647 2.165 30 30 BEEC Cc1cc(N=Cc2ccccc2O)no1 252629260 UCIGAVSQBKWYAY-UHFFFAOYSA-N 202.213 2.439 30 30 BEEC COc1ccc(CCN2CCC(=NO)CC2)cc1 109450690 LOQZQLNBCOXCCP-UHFFFAOYSA-N 248.326 2.164 30 30 BEEC N#Cc1cnc(-c2cc(F)ccc2F)nc1 35323399 ZHCKKWDSXKQYLA-UHFFFAOYSA-N 217.178 2.293 30 30 BEEC C#Cc1ccc(NC(=O)OC(C)(C)C)nc1 90628115 FZEAKLPROMKGPH-UHFFFAOYSA-N 218.256 2.410 30 30 BEEC in-vitro COC(=O)[C@]1(C)C[C@H]1B1OC(C)(C)C(C)(C)O1 208412427 VJRBSUDMFZJDGJ-PRHODGIISA-N 240.108 2.032 30 30 BEEC N#Cc1ccccc1C1(C(=O)O)CCC1 238696835 FJMYRGWCGORHAQ-UHFFFAOYSA-N 201.225 2.065 30 30 BEEC COC(=O)c1ccc(C2(C#N)CC2)cc1 113293792 VGKCPHYFIBFXMN-UHFFFAOYSA-N 201.225 2.028 30 30 BEEC C=CC[C@@H](NC(=O)OC(C)(C)C)C(C)=O 36405158 VZMYXWBRBWDCND-SECBINFHSA-N 213.277 2.045 30 30 BEEC C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3O)C[C@H]12 95912510 BGEGQRAHHFWWJT-BPGGGUHBSA-N 248.322 2.356 30 30 BEEC biogenic,in-vitro C[C@@]12CCC(=O)C=C1CCCC21OCCO1 32099195 MEFBHOLFGORPSD-GFCCVEGCSA-N 222.284 2.209 30 30 BEEC C=CCCCONC(=O)OC(C)(C)C 39091304 ZMOSPEQEYXGHBT-UHFFFAOYSA-N 201.266 2.409 30 30 BEEC C=CCNC(=O)NCCc1c[nH]c2ccccc12 32862488 RJUYDMPXRZRBKP-UHFFFAOYSA-N 243.310 2.196 30 30 BEEC in-vitro N#Cc1ccc(C2CCNCC2)cc1F 44138229 JMVDBGDWWYQUJG-UHFFFAOYSA-N 204.248 2.164 30 30 BEEC CC(C)Oc1ccc([C@H](N)CC#N)cc1 95669221 SFFHRIJVFLHGDV-GFCCVEGCSA-N 204.273 2.387 30 30 BEEC COc1cc(C2CCNCC2)ccc1C#N 44138771 IQGKLNXICIZKNR-UHFFFAOYSA-N 216.284 2.034 30 30 BEEC COC(=O)[C@@]1(C)C[C@@H]1B1OC(C)(C)C(C)(C)O1 208412500 VJRBSUDMFZJDGJ-UFBFGSQYSA-N 240.108 2.032 30 30 BEEC CCCCCCC[C@@H](O)C(F)(F)C(=O)O 107030158 LKEIVSPNDMLTLO-MRVPVSSYSA-N 224.247 2.428 30 30 BEEC CCn1c(Br)nc(Cl)c1C#N 260571608 HAHIECXBHJXMMA-UHFFFAOYSA-N 234.484 2.191 30 30 BEEC COc1nc(C)cc(C(F)(F)F)c1C#N 84455 KAIJYHLHJWAQJW-UHFFFAOYSA-N 216.162 2.289 30 30 BEEC N#CCC12CC(I)(C1)C2 2265360033 MESUCCVNWDKJNY-UHFFFAOYSA-N 233.052 2.258 30 30 BEEC C=CCOC(=O)C(F)(F)C(F)(F)Cl 33607642 LLPBXFSEYUYFDS-UHFFFAOYSA-N 220.549 2.183 30 30 BEEC N#CC(C#N)c1ccc(C(F)(F)F)cn1 12562721 RXCBLNFXYDTDFM-UHFFFAOYSA-N 211.146 2.231 30 30 BEEC in-vitro N#Cc1c(OC(F)F)ccc(F)c1F 26522316 JQYOTZFFEMCLFV-UHFFFAOYSA-N 205.110 2.438 30 30 BEEC CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CC#N 261317301 DJOAUNHYTPIEHP-DTWKUNHWSA-N 210.277 2.061 30 30 BEEC Cc1ccc(C2=N[C@@](C)(CCC#N)C(=O)O2)cc1 39139997 ORMHNBGHJQAXNL-AWEZNQCLSA-N 242.278 2.361 30 30 BEEC C#Cc1ccc([C@@H](O)C(F)(F)F)cc1 219514039 KDBTXUVLYVGRJD-SECBINFHSA-N 200.159 2.264 30 30 BEEC N#CC[C@@H](O)COc1cccc2ccccc12 33650116 ASZJWZSLVVSBAH-GFCCVEGCSA-N 227.263 2.493 30 30 BEEC O=C(O)Cc1ccc(C2=CC(=O)CCC2)cc1 1617 SRJYOCXLFRUMBY-UHFFFAOYSA-N 230.263 2.450 30 30 BEEC in-man O=C(C[n+]1ccccc1)c1c(F)cccc1F 4322715 NDPQBJOMEGCAEV-UHFFFAOYSA-N 234.225 2.135 30 30 BEEC C[C@H]1C(=O)C[C@H]1B1OC(C)(C)C(C)(C)O1 2265385564 LQNPQAFRRJIPLZ-HTQZYQBOSA-N 210.082 2.058 30 30 BEEC N#Cc1ccc(-c2nc(CN)cs2)cc1 83348343 DGBFERBQACVCJC-UHFFFAOYSA-N 215.281 2.140 30 30 BEEC C/C(=N\O)c1csc(-c2snnc2C)n1 122996 LNQUEDRNBIVVBY-NYYWCZLTSA-N 240.313 2.168 30 30 BEEC C=CCSCCNC(=O)OC(C)(C)C 95348000 QGYPZODKABCZLY-UHFFFAOYSA-N 217.334 2.430 30 30 BEEC in-vitro C=C(C)C(=O)O[C@@H]1C=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 100050680 APJQZXPTPACCNB-KIJLLGNVSA-N 216.280 2.482 30 30 BEEC CCO[C@H]1C[C@@H]2C=C(OC)C=C[C@]12C#N 39099392 WLCUZUOVYCXTMU-ZMLRMANQSA-N 205.257 2.021 30 30 BEEC CC(=NO)c1ccc(NC(=O)C2CC2)cc1 308904513 DCPRNHHMNTWKPK-UHFFFAOYSA-N 218.256 2.233 30 30 BEEC CCC(F)(F)C(C)(C)COS(C)(=O)=O 521399460 LZILAYIICIYWFW-UHFFFAOYSA-N 230.276 2.034 30 30 BEEC C#CCOC(=O)Nc1cnccc1C(F)(F)F 4348020 RIEQFZNMJXZNHL-UHFFFAOYSA-N 244.172 2.282 30 30 BEEC N#Cc1cccnc1-c1cccc(C=O)c1 90669361 SUFYQBNNXATHMB-UHFFFAOYSA-N 208.220 2.433 30 30 BEEC N#CCN1CC(=N)N(c2ccc(Cl)cc2)C1=O 1815 IDCAZKFFVIMCCS-UHFFFAOYSA-N 248.673 2.083 30 30 BEEC in-man C[C@H]1C[C@H](C#N)CN1C(=O)OC(C)(C)C 107246022 PVSSRFOUDVSLLJ-DTWKUNHWSA-N 210.277 2.155 30 30 BEEC COC(=O)n1cc(CC#N)c2ccccc21 32250133 TXQDKALLAHDYAF-UHFFFAOYSA-N 214.224 2.322 30 30 BEEC CC(C)(C)OC(=O)NC1CCC(=NO)CC1 307615890 NFJKBHROLOXLKZ-UHFFFAOYSA-N 228.292 2.284 30 30 BEEC CCOc1ccc(CC=O)cc1OCC 55230474 DFRSGLWCOKPLEN-UHFFFAOYSA-N 208.257 2.225 30 30 BEEC in-vitro C=CCOc1ccc(NC(C)=O)cc1NC(C)=O 2012191 KSNKVPBPDATKHR-UHFFFAOYSA-N 248.282 2.168 30 30 BEEC N#Cc1cc2c(nc1Cl)CCSC2 43404759 VOBZPAJHRUVIOH-UHFFFAOYSA-N 210.689 2.396 30 30 BEEC CCNC(=S)NN=C1CCC(CC)CC1 39102735 BTQKBOPIZWONEN-UHFFFAOYSA-N 227.377 2.427 30 30 BEEC Cc1c(/C=N/NC(N)=S)sc2ccccc12 172439 JOHDHHYKSMBFMG-AWNIVKPZSA-N 249.364 2.377 30 30 BEEC O=C(O)C(=O)/C=C/c1cccc(Cl)c1 57939121 URMPXNZXEYPVBN-SNAWJCMRSA-N 210.616 2.007 30 30 BEEC O=[N+]([O-])c1ccccc1Cn1cccc1C=NO 254302056 TWXDIFYLFUYLHL-UHFFFAOYSA-N 245.238 2.253 30 30 BEEC CON=Cc1c(C(F)(F)F)nn(C)c1Cl 254494905 QVYDKFZBKXOIFV-UHFFFAOYSA-N 241.600 2.073 30 30 BEEC Cc1cccc(O[C@H](C)C(=O)C=CN(C)C)c1 2265276499 OFRVPSNJDOCPJV-GFCCVEGCSA-N 233.311 2.407 30 30 BEEC CCCSc1nnc(/N=C/N(C)C)s1 4401001 KSQZQSOAQUGMQZ-RMKNXTFCSA-N 230.362 2.262 30 30 BEEC CN[C@H](c1ccc(C#N)cc1)C(F)(F)F 238322436 XCFRGHCPQMJDLT-SECBINFHSA-N 214.190 2.381 30 30 BEEC C[C@@H]1OCC=C1S[C@@]1(S)CCO[C@H]1C 255962092 AGRIHDPBJMXWRQ-NRPADANISA-N 232.370 2.457 30 30 BEEC C/C(C(=O)O)=C(\C)C(=O)c1ccccc1 142750977 ISWIWMIZLQRHJO-HJWRWDBZSA-N 204.225 2.290 30 30 BEEC Cc1cc(Cl)ccc1N/N=C(\N)S 13658702 UKIGFCKGSAOYRH-UHFFFAOYSA-N 215.709 2.220 30 30 BEEC CCCCCCCCCCN1CC(=O)N=C1N 111903180 XBIXIXVLXVOCKH-UHFFFAOYSA-N 239.363 2.284 30 30 BEEC N/C(=N\c1cccc(F)c1)c1ccncc1 5785105 PSASAOMEXWAJEI-UHFFFAOYSA-N 215.231 2.258 30 30 BEEC C#Cc1ccc(OC)cc1Br 220805591 YHUWMNIAOKWTQR-UHFFFAOYSA-N 211.058 2.439 30 30 BEEC CN(C)C=CC(=O)c1ccc(C(C)(C)C)nc1O 2265278950 JJLKBGNCFOOOKA-UHFFFAOYSA-N 248.326 2.343 30 30 BEEC COC(=O)[C@H](S)Cc1ccc(C)cc1 98210171 IFWYWRLTEURWEQ-SNVBAGLBSA-N 210.298 2.009 30 30 BEEC in-vitro CCO[C@@H]1CC(OC)=C[C@@H]2C=C[C@@]21C#N 39099389 HCWWAYOOLDARND-MVWJERBFSA-N 205.257 2.021 30 30 BEEC CC(C)(C)OC(=O)NC1CC[C@H]2O[C@@H]2CC1 1535643995 QTYYSIVTVHWFHY-NXEZZACHSA-N 227.304 2.221 30 30 BEEC N#CCc1n[nH]c2ccc(Br)cc12 89195879 RPIYPKMKTJJQST-UHFFFAOYSA-N 236.072 2.391 30 30 BEEC in-vitro OCCN=C1CCCc2c1[nH]c1ccccc21 2265276353 AKJUGUCMXXVASA-UHFFFAOYSA-N 228.295 2.286 30 30 BEEC N#Cc1cnn(C(=O)c2cccs2)c1C1CC1 170915 PLYACWUKKBQQNP-UHFFFAOYSA-N 243.291 2.382 30 30 BEEC C#CCSc1nnc(-c2ccco2)o1 3126685 JQUKZZPIVCUNIR-UHFFFAOYSA-N 206.226 2.055 30 30 BEEC C#CCSc1nc(CCC)c(CC=C)c(=O)[nH]1 8648142 UISZSWZBOYDBMS-UHFFFAOYSA-N 248.351 2.176 30 30 BEEC CCn1nc(C=O)cc1-c1cccc(C#N)c1 39102545 BAGRTBUVHLKZCF-UHFFFAOYSA-N 225.251 2.254 30 30 BEEC CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CC#N 261317300 DJOAUNHYTPIEHP-BDAKNGLRSA-N 210.277 2.061 30 30 BEEC C=CCNc1cc(Cl)nc(Cl)n1 91352103 VDOCGNBBQCVPPO-UHFFFAOYSA-N 204.060 2.381 30 30 BEEC COc1ccc(C=C2C(=O)C3CCN2CC3)cc1 2265230096 DGCCLZXEXPYXMT-UHFFFAOYSA-N 243.306 2.331 30 30 BEEC CC[C@H](C)[C@@H](C#N)c1nc(C(=O)O)cs1 150335990 GKFXGKIBVFDKBP-NKWVEPMBSA-N 224.285 2.495 30 30 BEEC CCOC(=O)/C(C)=N\Nc1ccc(F)c(F)c1 44184684 IHPUBZBBOOKYLD-AUWJEWJLSA-N 242.225 2.316 30 30 BEEC C=C(C)C(=O)O[C@@H]1C=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 100050685 APJQZXPTPACCNB-JZRPKSSGSA-N 216.280 2.482 30 30 BEEC C/C(=N\O)C(=O)Nc1cccc(C(F)(F)F)c1 12410357 GNXKIFWKLPZULA-GIDUJCDVSA-N 246.188 2.494 30 30 BEEC CCOc1ccccc1N(C)C(=S)C#N 39124889 VTYRCQNYNREPSQ-UHFFFAOYSA-N 220.297 2.372 30 30 BEEC CC1(C)CNc2cc(C#N)c(F)cc2O1 218901086 RQYFBEBUJLTEOX-UHFFFAOYSA-N 206.220 2.280 30 30 BEEC C=C[C@]1(O)C[C@H](C)N(C)[C@@H]2CCCC[C@H]21 39192319 DNTLHLDYMDJBDF-LOWDOPEQSA-N 209.333 2.186 30 30 BEEC N#Cc1ccc(OC2CCC(N)CC2)cc1 55143676 HPELXNHOEXFXFZ-UHFFFAOYSA-N 216.284 2.207 30 30 BEEC COc1c(F)c(F)c(C)c(C#N)c1F 63772426 VBCAQXLEKXMZGX-UHFFFAOYSA-N 201.147 2.293 30 30 BEEC O/N=C1/c2ccccc2CC[C@H]1Cn1ccnc1 12410502 IEGDOABZYCYUKF-ZLUHGAPXSA-N 241.294 2.324 30 30 BEEC CCOc1nc(Cl)c(Cl)nc1C#N 39100373 NADXLOBFNKUWTJ-UHFFFAOYSA-N 218.043 2.054 30 30 BEEC C=C(Br)C[C@]1(C)CCC(=O)O1 196658740 XQUIWYUFVUWIFH-QMMMGPOBSA-N 219.078 2.381 30 30 BEEC C=CCOc1ccccc1C(=O)NCC 2000307 JAOYNCHGTPCSOJ-UHFFFAOYSA-N 205.257 2.001 30 30 BEEC C[C@@]1(CCC#N)N=C(c2ccccc2)OC1=O 39139990 DZNPPNMXOZKFFS-ZDUSSCGKSA-N 228.251 2.052 30 30 BEEC CC1(C)OB([C@@H]2CC2(F)F)OC1(C)C 1083814344 OSDYISVTBIZNJW-ZCFIWIBFSA-N 204.025 2.488 30 30 BEEC N#Cc1c(N)nc2c(c1-c1cccnc1)CCC2 35299468 SZPHWMNXRHUKNZ-UHFFFAOYSA-N 236.278 2.086 30 30 BEEC N#Cc1nccc2[nH]cc(Br)c12 14986203 UBNCCIDMDSHYSA-UHFFFAOYSA-N 222.045 2.197 30 30 BEEC in-vitro NCCC(F)(F)C(F)(F)C(F)(F)F 44396698 WGFQLGIMKURNCU-UHFFFAOYSA-N 213.096 2.168 30 30 BEEC C=C[C@]1(O)C[C@H](C)N(C)[C@H]2CCCC[C@@H]21 255969689 DNTLHLDYMDJBDF-CYDGBPFRSA-N 209.333 2.186 30 30 BEEC CC(=O)/C=C/[C@@H]1C(C)=CC[C@H](O)C1(C)C 205079747 HEGYTNOVZBKKAI-JIVBQCDMSA-N 208.301 2.485 30 30 BEEC CC[C@]1(c2ccccc2)O[C@H]1OC(C)=O 39101156 UJCQNBYEXQZIAD-VXGBXAGGSA-N 206.241 2.211 30 30 BEEC Cc1ccc(C2=N[C@](C)(CCC#N)C(=O)O2)cc1 39139999 ORMHNBGHJQAXNL-CQSZACIVSA-N 242.278 2.361 30 30 BEEC Cn1cccc1-c1c(C#N)c(N)nc2c1CCC2 34935107 JBJZQZNVEOLSRX-UHFFFAOYSA-N 238.294 2.030 30 30 BEEC O=C1C=CCc2c1cc1occc1c2O 214474187 GEPIZZPTPVGHEP-UHFFFAOYSA-N 200.193 2.433 30 30 BEEC ON=Cc1cccn1Cc1cnc(Cl)s1 254399659 WNNQQPWMZWIXMS-UHFFFAOYSA-N 241.703 2.454 30 30 BEEC C#Cc1ccc(Br)c(OC)c1 1536050768 ZOYDGNPFQNLPNY-UHFFFAOYSA-N 211.058 2.439 30 30 BEEC C#Cc1cccc(Cc2cnc(N)s2)c1 22151222 CTZDQTIKJCENCV-UHFFFAOYSA-N 214.293 2.297 30 30 BEEC O=C1C(=Cc2ccccc2F)N2CCC1CC2 2265269912 HGDJWXJVDOMZAH-UHFFFAOYSA-N 231.270 2.461 30 30 BEEC N#CCCC(=O)c1ccc([N+](=O)[O-])cc1 2392871 DCZZTVNFSWEWJY-UHFFFAOYSA-N 204.185 2.081 30 30 BEEC N#Cc1ccc(N2CCSCC2)cc1 20257350 IDDMJWJZSZMAOQ-UHFFFAOYSA-N 204.298 2.111 30 30 BEEC in-vitro CCCCCNC(=O)/N=C1\CCCN1C 196244642 CEXQOMJCTKXEHX-JLHYYAGUSA-N 211.309 2.010 30 30 BEEC CC(C)=NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102933269 NTCPGFFPZZGIIP-LPEHRKFASA-N 225.361 2.035 30 30 BEEC COC(=O)[C@H](C#N)c1cccc(Cl)c1 49814648 GCMXNRWGEQVNFC-SECBINFHSA-N 209.632 2.120 30 30 BEEC C#CC(=O)CC[C@H](CC)NC(=O)OC(C)(C)C 405440616 PESITBWWZFRXQM-JTQLQIEISA-N 239.315 2.272 30 30 BEEC C#CCNc1cc(C(F)(F)F)ccn1 39325647 WWBMUFRFOKDOPX-UHFFFAOYSA-N 200.163 2.146 30 30 BEEC C[C@@H]1OCC=C1S[C@@]1(S)CCO[C@@H]1C 33506394 AGRIHDPBJMXWRQ-XKSSXDPKSA-N 232.370 2.457 30 30 BEEC CN(C)C=CC(=O)c1ccc(C(F)(F)F)cn1 2265279549 OOHQOIZQGFKMRB-UHFFFAOYSA-N 244.216 2.358 30 30 BEEC Cc1ccc(NC(=O)/C=N/O)cc1Cl 160797 HPMBPDPLFLOCSG-VZUCSPMQSA-N 212.636 2.047 30 30 BEEC ON=Cc1cccc(OCc2cccnc2)c1 606346482 YSEWNGORSFRMGB-UHFFFAOYSA-N 228.251 2.469 30 30 BEEC C#CC(=O)CC[C@@H](CC)NC(=O)OC(C)(C)C 405440617 PESITBWWZFRXQM-SNVBAGLBSA-N 239.315 2.272 30 30 BEEC S=C(NN=C1CCCC1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100242563 UOOSNYCMDXLGIQ-JBLDHEPKSA-N 249.383 2.345 30 30 BEEC CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2O[C@@H]2CC1 1535643996 QTYYSIVTVHWFHY-OWUUHHOZSA-N 227.304 2.221 30 30 BEEC O=C1c2ccccc2C(=O)N1CCCCCS 94586216 ZPKDSHNYTKSTHY-UHFFFAOYSA-N 249.335 2.383 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H](O)[C@@](C)(O)C[C@H]21 256423353 IWEFLIJBBPZMBB-UQAQGZBZSA-N 236.355 2.357 30 30 BEEC c1ccc(CCN2CCC3(CC2)CO3)cc1 1563313 QZKACCAATDJFQZ-UHFFFAOYSA-N 217.312 2.094 30 30 BEEC CN(C)/C=N/c1ccc(Cl)cc1C#N 111873484 MHRWOIFPYHVBPV-NTUHNPAUSA-N 207.664 2.433 30 30 BEEC C[C@H]1C[C@H](S)CN1C(=O)OC(C)(C)C 209900189 HBKAPPHVTBDWEM-YUMQZZPRSA-N 217.334 2.314 30 30 BEEC C/C(=N\C[C@H](C)O)c1cc(Cl)ccc1O 66679 QARWCMQZXQMFEB-AXGKHFFLSA-N 227.691 2.235 30 30 BEEC C=C[C@@H]1NCCc2cc(OC)c(OC)cc21 22004077 GJVIEVDJTMRZDE-NSHDSACASA-N 219.284 2.077 30 30 BEEC Cc1ccc(CNC[C@@H](C)C#N)c(F)c1 602607851 MXABMSQCPBECEC-JTQLQIEISA-N 206.264 2.383 30 30 BEEC C#C[C@@H](O)c1cccc(C(F)(F)F)c1 39405003 VBSWZRQVLSTNJR-SECBINFHSA-N 200.159 2.372 30 30 BEEC in-vitro O[C@H](C(F)(F)F)C(F)(F)C(F)(F)F 100095687 ZVXAXABPTOPGDK-SFOWXEAESA-N 218.043 2.107 30 30 BEEC C=CCNC(=O)c1ccc(C(F)(F)F)nc1C 4299467 SONCGHSDVPHUBB-UHFFFAOYSA-N 244.216 2.325 30 30 BEEC CC(C)(C)OC(=O)N1CC(CCS)C1 95083020 NSCOXZAMCRKDFX-UHFFFAOYSA-N 217.334 2.173 30 30 BEEC CC(=O)CC[C@H]1C(=O)[C@H]([C@@H](C)C=O)CC[C@@H]1C 96030896 RTBJZMMNKXQFDB-DJIHRAIXSA-N 238.327 2.422 30 30 BEEC in-vitro CCO[C@H](/C(N)=N/O)c1ccccc1Cl 5650843 PTAMVVGINUXBPU-VIFPVBQESA-N 228.679 2.164 30 30 BEEC COc1ccc([C@@]2(C#N)CCCN2C)cc1 75626742 UNAHDGVFECZDIV-ZDUSSCGKSA-N 216.284 2.140 30 30 BEEC N#CC(c1ccc(F)cn1)c1ccc(F)cn1 253496069 ATYHUUDKLYDUAC-UHFFFAOYSA-N 231.205 2.410 30 30 BEEC CN(C)CCc1c[nH]c2ccc(C#N)cc12 2018020 DSNBRTOYUJFTAH-UHFFFAOYSA-N 213.284 2.144 30 30 BEEC C#Cc1ccc(C(=O)OC)cc1Br 66309130 NPVLVLUVPFYCIR-UHFFFAOYSA-N 239.068 2.217 30 30 BEEC CC1(C)OB(CC2CC(=O)C2)OC1(C)C 2265364052 UDNHQMPAKPJWFN-UHFFFAOYSA-N 210.082 2.058 30 30 BEEC C[C@H]1C(=O)C[C@@H]1B1OC(C)(C)C(C)(C)O1 2265385566 LQNPQAFRRJIPLZ-SFYZADRCSA-N 210.082 2.058 30 30 BEEC CC(C)(C)OC(=O)Nc1ccncc1/C=N/O 95642519 ALSNIZDZQRKBMU-NTUHNPAUSA-N 237.259 2.237 30 30 BEEC CC(C)(C)/N=C/C1=NC(C)(C)N([O])C1(C)C 100504287 RYESLLXOZDBWGE-MDWZMJQESA-N 224.328 2.473 30 30 BEEC COc1cccc(O[C@H](C)C(=O)C=CN(C)C)c1 2265269898 DULANNSDWJJJLF-LLVKDONJSA-N 249.310 2.107 30 30 BEEC CNCc1c(OCC#N)ccc2ccccc12 37711152 NUIPEIFYFQXRFH-UHFFFAOYSA-N 226.279 2.462 30 30 BEEC CC[C@@H](C)[C@@H](C#N)c1nc(C(=O)O)cs1 150335767 GKFXGKIBVFDKBP-RNFRBKRXSA-N 224.285 2.495 30 30 BEEC CC1(C)C(=O)C[C@H]1B1OC(C)(C)C(C)(C)O1 2265347413 OHQJNHVYGULKCV-MRVPVSSYSA-N 224.109 2.448 30 30 BEEC CC(C)(C)c1ccc(CC(=O)NO)cc1 31623049 TXCTURVQEPLVTE-UHFFFAOYSA-N 207.273 2.032 30 30 BEEC CO[C@H](CN=C(C)C)c1ccc(O)c(O)c1 39098571 UUKKOTGZHCTRRJ-GFCCVEGCSA-N 223.272 2.266 30 30 BEEC CCOC(=O)/C(C)=N/Nc1ccc(F)cc1F 132886 SCAVGJVJWUVSKL-VGOFMYFVSA-N 242.225 2.316 30 30 BEEC C=CC[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1 306276969 HLVLMAMGBKFODM-CYBMUJFWSA-N 240.347 2.291 30 30 BEEC CC[C@]1(c2ccccc2)O[C@@H]1OC(C)=O 39101158 UJCQNBYEXQZIAD-NWDGAFQWSA-N 206.241 2.211 30 30 BEEC CCOc1ccc(C(=O)C[C@H](C)C=O)cc1 39098839 IIVULKURJOPTPO-JTQLQIEISA-N 220.268 2.493 30 30 BEEC CCB1OC[C@H](CCC[C@@H]2COB(CC)O2)O1 195761667 YPZCCPNBYSERMB-PHIMTYICSA-N 239.917 2.004 30 30 BEEC C=C(Br)CCC1OCCO1 21990735 COJQNROBPRUOQA-UHFFFAOYSA-N 207.067 2.048 30 30 BEEC C=CCOC(=O)Cc1c[nH]c2ccccc12 10974816 XTKFJRWDSCONFZ-UHFFFAOYSA-N 215.252 2.440 30 30 BEEC Cc1cn([C@@H](C)/C(N)=N\O)c2ccccc12 39109910 RCYYKOXUPFHXNI-VIFPVBQESA-N 217.272 2.257 30 30 BEEC Cc1nc(C#N)c(Br)s1 383879 IJNSEMPICXTCQV-UHFFFAOYSA-N 203.064 2.086 30 30 BEEC CCCCOC(=O)/C=N/Nc1ccccc1 4389422 NKPZAFAPUHNYEZ-JLHYYAGUSA-N 220.272 2.428 30 30 BEEC C(\Cc1cccnc1)=N/N=C/Cc1cccnc1 38827137 XLJHBRMAKCEOGA-BEQMOXJMSA-N 238.294 2.318 30 30 BEEC N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCC2 34935106 ASMSWKAUAXLHDU-UHFFFAOYSA-N 224.267 2.019 30 30 BEEC C#CCN[C@@H](C)c1ccccc1C(=O)OCC 1772820822 YHAFHCGUOCQCPH-NSHDSACASA-N 231.295 2.147 30 30 BEEC C[C@H](C#N)c1ncccc1Br 306653236 UTJVZFHVAPGXKC-ZCFIWIBFSA-N 211.062 2.471 30 30 BEEC Cc1ccc(-n2c(S)nnc2CC#N)c(C)c1 13703839 SCUVZSJUIHLTPT-UHFFFAOYSA-N 244.323 2.239 30 30 BEEC COc1cc(C=NO)ccc1Oc1cnccn1 254445419 YUYZPYMSABOCML-UHFFFAOYSA-N 245.238 2.086 30 30 BEEC Cc1ccc(-c2csc(N=C(N)N)n2)c(C)c1 13659174 AIDRHYDXCFOZGK-UHFFFAOYSA-N 246.339 2.332 30 30 BEEC CC[C@H](C#N)c1ccc(O)c([N+](=O)[O-])c1 33507026 GGVUDMNCNFJLTF-SSDOTTSWSA-N 206.201 2.318 30 30 BEEC COC(=O)[C@H]1CCCc2cc(C#N)ccc21 642882228 DXFXQDFDHSETGC-LBPRGKRZSA-N 215.252 2.151 30 30 BEEC C#CCOCc1nc2ccccc2s1 45237015 ULEZYACQOWMBQW-UHFFFAOYSA-N 203.266 2.446 30 30 BEEC COC(=O)c1c(F)cc(C#N)cc1Cl 116896314 XRIHXCHXXDVJRZ-UHFFFAOYSA-N 213.595 2.137 30 30 BEEC N#CC1(c2ccccc2Cl)CCNCC1 22416 SEWOIAWELLOTCE-UHFFFAOYSA-N 220.703 2.485 30 30 BEEC CC[C@@]1(c2ccccc2)O[C@H]1OC(C)=O 39101155 UJCQNBYEXQZIAD-NEPJUHHUSA-N 206.241 2.211 30 30 BEEC N#Cc1ccc2[nH]cc(/C=C/[N+](=O)[O-])c2c1 2583771 CQDDYYRKWJNSCZ-ONEGZZNKSA-N 213.196 2.287 30 30 BEEC C[C@@H](Oc1cccc2ccccc12)/C(N)=N/O 4213940 KLWGWDOTUDKLKT-SECBINFHSA-N 230.267 2.354 30 30 BEEC in-man C/N=C(/Nc1ccccc1OC)SC 4347969 HNCOLANXHWEDEF-UHFFFAOYSA-N 210.302 2.456 30 30 BEEC C#CCN1C[C@H]2Cc3ccc(C)cc3C[C@@H]2C1 39110870 QAQBGIRNFZUJBI-HZPDHXFCSA-N 225.335 2.275 30 30 BEEC CCOc1ccc(-c2c[nH]c(C#N)n2)cc1 39099971 DHVFSGXWMRGJNX-UHFFFAOYSA-N 213.240 2.347 30 30 BEEC CC(=O)Nc1ccc(C(=O)[C@@H](C)CC#N)cc1 82296810 CTVBMXSZFOXLEH-VIFPVBQESA-N 230.267 2.377 30 30 BEEC CCCCCCCCc1c(N)nc(N)nc1N 100163877 HZGBHPCFGGQKLH-UHFFFAOYSA-N 237.351 2.126 30 30 BEEC CC(=Nc1ccc2cn[nH]c2c1)N(C)C 254703395 TYSYDVONXHQGKX-UHFFFAOYSA-N 202.261 2.174 30 30 BEEC CCOC(=O)[C@]1(CC)O[C@H]1c1ccccc1 146969086 AOHTYJPWCAHBBT-WCQYABFASA-N 220.268 2.470 30 30 BEEC CCCCc1nc(C#N)c(C#N)nc1Cl 39336217 MDXNKKBBAVUXSS-UHFFFAOYSA-N 220.663 2.216 30 30 BEEC C=NNc1nc2ccc([N+](=O)[O-])cc2s1 45237132 QNNNMZPWHGGDLD-UHFFFAOYSA-N 222.229 2.232 30 30 BEEC C#CCN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 34873321 KFYDBROQPJKCSA-NSHDSACASA-N 232.283 2.091 30 30 BEEC in-vitro C/C=C(\C)C(=O)/C=C(\O)C(=O)OCCCC 103831899 DVHRFWZHTSURSQ-HUEHMTQISA-N 226.272 2.307 30 30 BEEC N#Cc1ccc(-c2ncccc2N)s1 95942539 ZVOOLMUSOPTXJS-UHFFFAOYSA-N 201.254 2.264 30 30 BEEC in-vitro COc1ccc(Br)cc1C=NO 252364431 FOPPMJDZHLMQIP-UHFFFAOYSA-N 230.061 2.266 30 30 BEEC CC1=CS(=O)(=O)OC2=C1CC[C@H](C)C2 145818565 LERWMOJKRXJYAC-ZETCQYMHSA-N 214.286 2.324 30 30 BEEC CCOc1ccc(C(=O)C[C@@H](C)C=O)cc1 39098838 IIVULKURJOPTPO-SNVBAGLBSA-N 220.268 2.493 30 30 BEEC CCOC(=O)[C@]1(CC)O[C@@H]1c1ccccc1 146968700 AOHTYJPWCAHBBT-DGCLKSJQSA-N 220.268 2.470 30 30 BEEC CC12CN(C(=O)OC(C)(C)C)CC(C=O)(C1)C2 2265385335 KIYAEAVAHBOPHV-UHFFFAOYSA-N 239.315 2.223 30 30 BEEC CN1CCC(=NOC(=O)Nc2ccccc2)CC1 171161 WCNNDRFVXRKIES-UHFFFAOYSA-N 247.298 2.317 30 30 BEEC C=CCNc1nc(Cl)cc(Cl)n1 91352104 VVNAZZBCBNOIFA-UHFFFAOYSA-N 204.060 2.381 30 30 BEEC CN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3131771 PMAIUMUDXRAWIA-RIYZIHGNSA-N 245.238 2.408 30 30 BEEC C/C=C1/CN(C(=O)OC(C)(C)C)CCC1=O 146574138 MJIKIYZXUTXUMS-UITAMQMPSA-N 225.288 2.143 30 30 BEEC CN(C)C=Nc1nccc(-c2cccs2)n1 254800575 VTCFLZAVRDMBLY-UHFFFAOYSA-N 232.312 2.427 30 30 BEEC C[C@@H]1CNC[C@]1(C)B1OC(C)(C)C(C)(C)O1 2265385807 XBHBCIXPAPQIHX-SKDRFNHKSA-N 225.141 2.078 30 30 BEEC C[C@@H]1OCC=C1S[C@]1(S)CCO[C@@H]1C 33506396 AGRIHDPBJMXWRQ-QXFUBDJGSA-N 232.370 2.457 30 30 BEEC C#Cc1cc(Br)ccc1C(=O)OC 2265384988 NUHIQTXVGMRMTJ-UHFFFAOYSA-N 239.068 2.217 30 30 BEEC N#CCc1cc(Br)cnc1F 238594010 FNDYJFYMYJGEPE-UHFFFAOYSA-N 215.025 2.049 30 30 BEEC N#CC(C#N)CC(=O)c1ccc(F)cc1 49812327 SNEOSXIUTYPDSA-UHFFFAOYSA-N 202.188 2.062 30 30 BEEC N#Cc1cc(Br)ncc1OC1CC1 95735061 BIGZQLXWXHEDFG-UHFFFAOYSA-N 239.072 2.257 30 30 BEEC in-vitro CCOC(=O)[C@@H]1CCC(=O)C=C1C(F)(F)F 106394240 QBRWPPHCYXMELT-SSDOTTSWSA-N 236.189 2.017 30 30 BEEC O=C1C2=C(O)CCC[C@@H]2Cc2c(O)ccc(O)c21 103613428 WFJGYXFRDIGMQH-SSDOTTSWSA-N 246.262 2.449 30 30 BEEC CS[C@]1(C)C(=O)Nc2c(C#N)cccc21 390822105 DTSJJPWAFBMZRB-NSHDSACASA-N 218.281 2.089 30 30 BEEC CC(=O)O/N=C/c1nc2ccccc2s1 108781 CVCOZWQVLGVYIQ-IZZDOVSWSA-N 220.253 2.193 30 30 BEEC COC(=O)/C(Cl)=N\Nc1ccc(Cl)cc1 100333854 WFLLLIXHIJPUCA-MDWZMJQESA-N 247.081 2.477 30 30 BEEC CC(C)(C)C(=O)O/N=C/c1ccc2c(c1)OCO2 163076 FUPFGAKPJRKWNT-VGOFMYFVSA-N 249.266 2.339 30 30 BEEC CC(=NO)c1ccc(-n2ccnc2)cc1 254446114 XHUOZYQEOZTAJF-UHFFFAOYSA-N 201.229 2.071 30 30 BEEC C#Cc1cccc(N2C(=O)C[C@@H](CC=C)C2=O)c1 104875 NPLZNMXSHOHMEE-GFCCVEGCSA-N 239.274 2.124 30 30 BEEC COc1ccc(C[C@H](C)C#N)cc1OC 80182985 QYPVUSRSPJQLAY-VIFPVBQESA-N 205.257 2.406 30 30 BEEC in-vitro C=C(C)C(=O)CCNC(=O)OC(C)(C)C 39093725 CMWFQSBROFENEO-UHFFFAOYSA-N 213.277 2.046 30 30 BEEC C[C@@H]1CNC[C@@]1(C)B1OC(C)(C)C(C)(C)O1 2265385804 XBHBCIXPAPQIHX-BXKDBHETSA-N 225.141 2.078 30 30 BEEC N#Cc1cc(F)cc(C2(C(=O)O)CCC2)c1 309189425 AVUJJRBXGIXLHP-UHFFFAOYSA-N 219.215 2.204 30 30 BEEC C#CCN(C)[C@H](C)Cc1ccc(F)cc1 26165091 MUDUXRHPVDVWHU-LLVKDONJSA-N 205.276 2.322 30 30 BEEC in-vitro CC(C)(C)OC(=O)N(CC=O)C(C)(C)C 98210118 KUADEIPKYZMRBG-UHFFFAOYSA-N 215.293 2.221 30 30 BEEC in-vitro CCOC(=O)C(C)=NNc1ccccc1OC 888086639 ULTVEHQEMFNIMQ-UHFFFAOYSA-N 236.271 2.046 30 30 BEEC CC1(C)OB(c2cnccc2C2CC2)OC1(C)C 206171401 YVAIHNAEZHKSAS-UHFFFAOYSA-N 245.131 2.258 30 30 BEEC CC(C)(C=O)[C@@H](C[N+](=O)[O-])c1ccccc1 82163962 RDPSRQAHEBIFRW-NSHDSACASA-N 221.256 2.272 30 30 BEEC in-vitro O=C(C=CN1CCc2ccccc21)C(F)F 2265228140 IPJDNNOCOZQGQU-UHFFFAOYSA-N 223.222 2.397 30 30 BEEC C=CCOc1ccc(CCC(=O)O)cc1 39953800 QBJZQVXPGHFVAG-UHFFFAOYSA-N 206.241 2.269 30 30 BEEC COc1ccc(NC(C)=O)cc1N(C)CCC#N 5137979 YQSUXMCLIUGHKF-UHFFFAOYSA-N 247.298 2.003 30 30 BEEC CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C#N 61889075 OYINKCOTAVORFZ-RKDXNWHRSA-N 210.277 2.203 30 30 BEEC CCO[C@@H]1CC(OC)=C[C@@H]2C=C[C@]21C#N 256837920 HCWWAYOOLDARND-WCQGTBRESA-N 205.257 2.021 30 30 BEEC CN(CCC#N)C(=S)Nc1ccc(F)cc1 13658400 AQNYXPRALUIZRW-UHFFFAOYSA-N 237.303 2.368 30 30 BEEC COc1cccc(O[C@@H](C)C(=O)C=CN(C)C)c1 2265269899 DULANNSDWJJJLF-NSHDSACASA-N 249.310 2.107 30 30 BEEC C=CC[C@@]1(O)CC[C@]2(C)CCCC[C@@]21O 39097079 FESIJERISVZLFW-YNEHKIRRSA-N 210.317 2.399 30 30 BEEC C#Cc1ccc(Br)cc1OC 146714214 FIOBRFLMQFJRIN-UHFFFAOYSA-N 211.058 2.439 30 30 BEEC Cc1ccc(NC(=S)C(C#N)C#N)cc1 39109687 FSYQYRVQQFZARV-UHFFFAOYSA-N 215.281 2.398 30 30 BEEC C=CCCNC(=O)CCc1ccc(OC)cc1 32145845 CYUYMAVTMTZKKN-UHFFFAOYSA-N 233.311 2.320 30 30 BEEC CSc1n[nH]c(-c2ccco2)c1C#N 166075 BNHPZIGEWVOENJ-UHFFFAOYSA-N 205.242 2.263 30 30 BEEC Cc1cc(N=C2C=CC(=O)C=C2)ccc1N 5419643 RWIMGHAFJNQGDH-UHFFFAOYSA-N 212.252 2.345 30 30 BEEC Cc1c(C#N)c(N)nc2ccc(F)cc12 725244900 YPQNLYOASUEWBY-UHFFFAOYSA-N 201.204 2.136 30 30 BEEC N#Cc1c[nH]cc1-c1cccc([N+](=O)[O-])c1 196210958 NQSNUPVSAJEFID-UHFFFAOYSA-N 213.196 2.462 30 30 BEEC C=C[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)O1 5166373 IRWLDXUJBJPFNV-PWSUYJOCSA-N 212.289 2.452 30 30 BEEC biogenic C#CCN[C@H](C)c1ccccc1C(=O)OCC 1772820821 YHAFHCGUOCQCPH-LLVKDONJSA-N 231.295 2.147 30 30 BEEC C=C[C@H](C)Oc1ncc(Br)cn1 238790231 TVEGHSPAFAVWIE-LURJTMIESA-N 229.077 2.192 30 30 BEEC C[C@H]1CNC[C@@]1(C)B1OC(C)(C)C(C)(C)O1 2265385806 XBHBCIXPAPQIHX-JOYOIKCWSA-N 225.141 2.078 30 30 BEEC C=C[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)O1 5166638 IRWLDXUJBJPFNV-JQWIXIFHSA-N 212.289 2.452 30 30 BEEC biogenic CNC(=S)N/N=C/c1c(C)cccc1Cl 13658564 GJTFYLBCRQKBPN-AWNIVKPZSA-N 241.747 2.076 30 30 BEEC C=CC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H](O)[C@](C)(O)C[C@H]21 256423348 IWEFLIJBBPZMBB-JPSNCLMPSA-N 236.355 2.357 30 30 BEEC CC(C)[C@@H](C(=O)O)c1cccc(C#N)c1 52233107 XCTGEVAKATUJCM-LLVKDONJSA-N 203.241 2.382 30 30 BEEC O=C1/C(=N\O)Cc2cc3c(cc21)CCCC3 209430589 ABXQKSLQJHTNCR-OWBHPGMISA-N 215.252 2.134 30 30 BEEC CN(C)/C=N/C(=S)Nc1cccc(F)c1 100252169 BELPWMMEDPUEHN-KPKJPENVSA-N 225.292 2.112 30 30 BEEC C[C@@H](C#N)c1ncccc1Br 306653235 UTJVZFHVAPGXKC-LURJTMIESA-N 211.062 2.471 30 30 BEEC CCOP(=O)(OCC)c1cccc(C#N)c1 21986972 LMXYZOINURSLPF-UHFFFAOYSA-N 239.211 2.450 30 30 BEEC N#Cc1ccc(C[C@H]2CCCCN2)cc1 215033517 AAUPCZZDLOSNNX-CYBMUJFWSA-N 200.285 2.243 30 30 BEEC CN/N=C(/S)Nc1cccc(SC)c1 13659048 MREIXTSZJNGSMD-UHFFFAOYSA-N 227.358 2.241 30 30 BEEC Nc1ccc2c(c1)N=CC(=C1C=CC(=O)C=C1)N2 205068803 JCKWYORRIDEKED-UHFFFAOYSA-N 237.262 2.346 30 30 BEEC C#CCSc1nnnn1-c1c(C)cccc1C 3126687 VAGQRSFPCQOZCJ-UHFFFAOYSA-N 244.323 2.004 30 30 BEEC Cc1cc(CC#N)ncc1Br 95642106 NHFTVLGHDWLJQW-UHFFFAOYSA-N 211.062 2.219 30 30 BEEC CC(C)(C)OC(=O)N[C@@H](C#N)CC(F)(F)F 95882058 FNADWCYBGBHJDL-ZCFIWIBFSA-N 238.209 2.356 30 30 BEEC COc1ccc(C=NO)cc1Br 252364641 PLVAXUFKSBKJPC-UHFFFAOYSA-N 230.061 2.266 30 30 BEEC C=CCc1c(CCC)nc(SC)[nH]c1=O 18176185 XGPOIKXCQSJQJZ-UHFFFAOYSA-N 224.329 2.173 30 30 BEEC COc1cc2ncc(C#N)c(O)c2cc1C 95835483 QFLTXDSBFLDJDT-UHFFFAOYSA-N 214.224 2.129 30 30 BEEC CNC(=O)O/N=C/c1ccc(F)c(Cl)c1 106518 NROKYUNIJARATI-WLRTZDKTSA-N 230.626 2.169 30 30 BEEC CCOC(=O)[C@]1(c2ccccc2)OC1(C)C 38952848 STPQSUSWQRQEBJ-ZDUSSCGKSA-N 220.268 2.254 30 30 BEEC COc1ccc(C(=O)C[C@H](C)C#N)cc1 33426700 IAUJCVJRWZJGEY-VIFPVBQESA-N 203.241 2.428 30 30 BEEC C[C@@H]1C[C@H](S)CN1C(=O)OC(C)(C)C 200474144 HBKAPPHVTBDWEM-SFYZADRCSA-N 217.334 2.314 30 30 BEEC C=CCOc1cc(OC)cc(OC)c1C=NO 254512235 KBBQCVXDZYOHML-UHFFFAOYSA-N 237.255 2.077 30 30 BEEC CC(=O)/C(=C\N(C)C)Sc1ccccn1 100375387 BMYPORZTZHOUKH-CSKARUKUSA-N 222.313 2.166 30 30 BEEC COc1cc(CC/C(C)=N/O)ccc1O 132946 KQFAQLJBMSIBCJ-XYOKQWHBSA-N 209.245 2.184 30 30 BEEC C/C(=N\CCc1ccccc1)[C@@H]1CCOC1=O 4369437 NJGMMILBDLSEMX-JMRXEAOASA-N 231.295 2.253 30 30 BEEC CC(C)CCn1c(CO)nc2cc(C#N)ccc21 204529520 MVZPTGFGPVKXIG-UHFFFAOYSA-N 243.310 2.446 30 30 BEEC N#Cc1cccnc1-c1ccc(CO)cc1 71792172 TYSFFLYDSZXUCY-UHFFFAOYSA-N 210.236 2.113 30 30 BEEC N#C[C@@H]1CNCc2ccc(Br)cc21 260394744 GKZMKRGOSIIZAD-MRVPVSSYSA-N 237.100 2.159 30 30 BEEC CCOC(=O)[C@@]1(c2ccccc2)OC1(C)C 38952847 STPQSUSWQRQEBJ-CYBMUJFWSA-N 220.268 2.254 30 30 BEEC CCOc1cccc(OCC)c1/C=N/O 39099681 NSFQLIBFZRBENR-XYOKQWHBSA-N 209.245 2.292 30 30 BEEC C=CCOc1cc(C=O)ccc1OCOC 2265351907 MXHJSNYQHCUXLQ-UHFFFAOYSA-N 222.240 2.047 30 30 BEEC COc1cc(F)c(Br)cc1C#N 205776895 RFIVQBDXMSYANL-UHFFFAOYSA-N 230.036 2.468 30 30 BEEC ON=CC(C=NO)=Nc1ccc(Cl)cc1 382599185 MMYQBWJFSUMWIB-UHFFFAOYSA-N 225.635 2.333 30 30 BEEC N#CCCn1cc(Cl)c(=O)c(Cl)c1 3126723 YOBDTKGJCIQMHP-UHFFFAOYSA-N 217.055 2.069 30 30 BEEC