smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCNc1cnccc1C(=O)OCC 39086922 GPEXVHLAJSQHIM-UHFFFAOYSA-N 206.245 1.856 30 30 BDEC CC(C)(C)OC(=O)NC(CS)CS 71373260 MSIKIAXPGPZLCU-UHFFFAOYSA-N 223.363 1.739 30 30 BDEC CCCCCCCC(CO)(CO)[N+](=O)[O-] 115274371 NLNQSQFRYFULIM-UHFFFAOYSA-N 219.281 1.347 30 30 BDEC C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O)C(=C)[C@H]21 4098230 XFVLNEYIZGZDHP-PEDHHIEDSA-N 246.306 1.987 30 30 BDEC biogenic,in-vitro N#Cc1cnc(I)cc1F 306621603 ZKPYFMDZVJYDDD-UHFFFAOYSA-N 247.998 1.697 30 30 BDEC C=CCn1cc(Br)c(N)n1 52924010 VSTQUXKEIYKSOI-UHFFFAOYSA-N 202.055 1.414 30 30 BDEC in-vitro CCCCCCCOc1nc(N)nc(N)n1 95864229 VRNJKSSGPWBMEW-UHFFFAOYSA-N 225.296 1.385 30 30 BDEC CC(C)(C)OC(=O)N1CCSC[C@H]1C#N 39957291 HMCWHZMUAVBZNL-MRVPVSSYSA-N 228.317 1.862 30 30 BDEC O=c1c(C=NO)coc2ccc(F)cc12 254821886 NZZHRRVPHZASLL-UHFFFAOYSA-N 207.160 1.740 30 30 BDEC CCCc1cc(O)n(CCC)c(=O)c1C#N 39098346 SKKHNIWFNUVRMO-UHFFFAOYSA-N 220.272 1.788 30 30 BDEC c1ccc(-c2cc3n(n2)C[C@]2(CO3)CO2)cc1 725712233 KHWLEZWGZJBCDP-ZDUSSCGKSA-N 228.251 1.712 30 30 BDEC C[C@@H](Oc1cccnc1)C(=O)C=CN(C)C 2265233902 SCXDZZBYICSCAT-SNVBAGLBSA-N 220.272 1.493 30 30 BDEC CCO[C@@H](/C(N)=N/O)c1ccc(C)cc1 5650862 XGBFTTXQYMVCNM-SNVBAGLBSA-N 208.261 1.819 30 30 BDEC CN(C)c1ccc(/C=N/O)c(F)c1C#N 139318 ZAJQYCSLHIXNKN-AWNIVKPZSA-N 207.208 1.571 30 30 BDEC CSc1nc(N)c(C#N)n1Cc1ccco1 105773 CZTRJIPSSAGDEX-UHFFFAOYSA-N 234.284 1.700 30 30 BDEC COc1cc2c(cc1C#N)CCC[C@H]2N 238398369 NXBZDGUMVDZVNE-LLVKDONJSA-N 202.257 1.903 30 30 BDEC COc1nc(N(C)C)nc(Cl)c1C=NO 254303208 IYVGCUYZNGBFCG-UHFFFAOYSA-N 230.655 1.013 30 30 BDEC CC1(C)OB(c2ncc(O)cc2F)OC1(C)C 307349738 AAVCMGWQUJUANR-UHFFFAOYSA-N 239.055 1.226 30 30 BDEC C=CCc1cccc(C[C@@H](N)C(=O)OC)c1 144557988 XQMXGRFAUGXHJO-GFCCVEGCSA-N 219.284 1.458 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@@H](C#N)[C@@H](N)C1 258274139 PNNOVYVBGQVAIS-IUCAKERBSA-N 225.292 1.094 30 30 BDEC CCOC(=O)C(=NOCc1ccccc1)C(C)=O 257351112 CEADWDFQIWMXQB-UHFFFAOYSA-N 249.266 1.711 30 30 BDEC N#CCc1cccc(C(=O)O)c1[N+](=O)[O-] 39086936 DDAYNJMSNNRHOT-UHFFFAOYSA-N 206.157 1.359 30 30 BDEC CCCCCCCC[S@@](=O)C[C@H](O)CO 71788552 RIFTWNDKDOBMLN-ABAIWWIYSA-N 236.377 1.449 30 30 BDEC in-vitro CNCB1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 380656781 UGAWCTKVAYZCRM-DTHBNOIPSA-N 223.125 1.473 30 30 BDEC CN(C)C1CCN(c2ccc(C#N)c(N)c2)CC1 94590385 PBUPLNPWVNGIDD-UHFFFAOYSA-N 244.342 1.671 30 30 BDEC CC(=O)c1cc(O)c2c(c1O)C(=O)C=CC2=O 82298343 UKVTXGBYZDOGSW-UHFFFAOYSA-N 232.191 1.236 30 30 BDEC C#CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 307201408 COCRLKAZOXBNCU-SNVBAGLBSA-N 225.288 1.646 30 30 BDEC CCCN1C(=O)C(=NO)c2ccccc21 254793731 WUZACTGDMOXIHA-UHFFFAOYSA-N 204.229 1.622 30 30 BDEC CCOc1cccc(CC(C#N)C#N)c1O 39100188 CCCGVUXNKJLEQB-UHFFFAOYSA-N 216.240 1.997 30 30 BDEC ON=Cc1cn(-c2ccc(Cl)cc2)nn1 254497179 KCXHNZGGTPMYAO-UHFFFAOYSA-N 222.635 1.729 30 30 BDEC N#CC1(C(=O)O)CCN(Cc2ccncc2)CC1 259456719 WQBHTNOASYQVHH-UHFFFAOYSA-N 245.282 1.272 30 30 BDEC C=C[C@@H](C)N1C(=O)c2ccccc2C1=O 166562 HFXXCZWZDXSDIS-MRVPVSSYSA-N 201.225 1.857 30 30 BDEC CN(C)CCCOc1cccc(C#N)c1 11863856 GXMUQXKOVKMYIO-UHFFFAOYSA-N 204.273 1.889 30 30 BDEC in-vitro C=C1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1 114151217 LEQFXSMBUFJQLZ-VIFPVBQESA-N 213.277 1.544 30 30 BDEC C=CC[C@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 2031105 MHZWCBPOTIWXCV-JTQLQIEISA-N 244.250 1.462 30 30 BDEC C#CCOc1ccccc1C(OC)OC 536555937 UTKUDRNGRZXANS-UHFFFAOYSA-N 206.241 1.990 30 30 BDEC C=CCOc1nc(Cl)nc(Cl)n1 2012875 OSVAWQJNBLOEMP-UHFFFAOYSA-N 206.032 1.743 30 30 BDEC CCOC(=O)[C@H]1O[C@@H]1c1cccc(C)c1 2265381378 CVOYLKPRJOQIAK-MNOVXSKESA-N 206.241 1.998 30 30 BDEC Cc1cc(-c2ccc(C#N)cc2)nc(N)n1 52837945 YBEPOIKAHCEKPN-UHFFFAOYSA-N 210.240 1.906 30 30 BDEC O=C(C(=NO)c1ccco1)c1ccco1 252627350 RSLKNHHWFJLREX-UHFFFAOYSA-N 205.169 1.934 30 30 BDEC N#Cc1nc(Br)c2ccccn12 259351333 IFUNCXADSHSLMO-UHFFFAOYSA-N 222.045 1.968 30 30 BDEC CS/C(N)=N/N=C/c1ccc(N(C)C)cc1 5585829 KCFNNVMFWWVPNM-MDWZMJQESA-N 236.344 1.764 30 30 BDEC CCOC(=O)c1cc(OC)ccc1C#N 150840 ZYGMTJHMXBDIIZ-UHFFFAOYSA-N 205.213 1.744 30 30 BDEC C[C@H](N)B1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 255962383 AKMVYVLKQCECJH-SSSAOXCUSA-N 223.125 1.601 30 30 BDEC C[C@@H]1CO[C@H](C#N)CN1Cc1ccccc1 307705485 VRTSOOQJIPJZTJ-DGCLKSJQSA-N 216.284 1.799 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@H](C#N)[C@@H](N)C1 258274134 PNNOVYVBGQVAIS-BDAKNGLRSA-N 225.292 1.094 30 30 BDEC CCOC(=O)C[C@](C)(C#N)C(=O)OCC 95348181 FLPUGHQAPMNTBX-SNVBAGLBSA-N 213.233 1.033 30 30 BDEC CC1=C(NCCCO)C(=O)c2ccccc2C1=O 100090755 ZDHYNGAOOKURRP-UHFFFAOYSA-N 245.278 1.312 30 30 BDEC CCOC(=O)[C@@H]1CCC(=O)[C@]2(CC)O[C@@]12C 100263555 RNQLYGHXWJUCTO-UWJYBYFXSA-N 226.272 1.466 30 30 BDEC CC1=C(C#C[C@@H](C)O)C(C)(C)C[C@H](O)C1 14587984 PJYBCOAMCYWPHQ-GHMZBOCLSA-N 208.301 1.868 30 30 BDEC CCCCc1ccc(/N=C(/N)N=C(N)N)cc1 6379977 USIUVSLAIMQMHC-UHFFFAOYSA-N 233.319 1.249 30 30 BDEC CC(=O)Nc1ccc(C(=O)C[N+](C)(C)C)cc1 5160726 OTJSVSVBJKDQRI-UHFFFAOYSA-O 235.307 1.534 30 30 BDEC C[C@H](C#N)n1cc(Br)cn1 44427501 MIDJXRJYALHPFZ-RXMQYKEDSA-N 200.039 1.730 30 30 BDEC Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 306491574 NUZAXEHXOKDXKW-UHFFFAOYSA-N 236.124 1.336 30 30 BDEC C#Cc1cncc(OC[C@@H]2CCCN2C)c1 13611482 ZDTSCWZPUHXKPB-LBPRGKRZSA-N 216.284 1.536 30 30 BDEC C=C[C@@H](C)[C@H](N[S@](=O)C(C)(C)C)C(=O)O 2265385733 LKFAJBSAIXZFTJ-VGZKNDNBSA-N 233.333 1.314 30 30 BDEC N#Cc1cccc(CSc2nccc(=O)[nH]2)c1 13465946 RAEREXKLOBAQNM-UHFFFAOYSA-N 243.291 1.934 30 30 BDEC O/N=C/c1c(O)cccc1Br 306631640 OABDBPDARGYMOQ-RUDMXATFSA-N 216.034 1.963 30 30 BDEC N#Cc1cccc(CN2CCC(=O)CC2)c1 19514390 FKJIJFVTHQLEPZ-UHFFFAOYSA-N 214.268 1.723 30 30 BDEC C#CCOC(=O)Nc1ccccc1OC 4335946 KSPYBUAWWLYLQO-UHFFFAOYSA-N 205.213 1.877 30 30 BDEC CNC(=S)N/N=C(\C)c1ccc(C)cc1 144345 BQULECLJGNEYQK-UKTHLTGXSA-N 221.329 1.813 30 30 BDEC COc1cc(C[C@](C)(C#N)NC(C)=O)ccc1O 5197080 LWNXUHPNXYVCQA-CYBMUJFWSA-N 248.282 1.362 30 30 BDEC CCOC(=O)[C@H](C#N)c1ccccc1C#N 75623486 RZCYXJJZVNFIHF-LLVKDONJSA-N 214.224 1.729 30 30 BDEC in-vitro C=C1CC[C@@]23CC[C@@H]1[C@]2(O)[C@@H](C)C[C@H]3O 39105714 WHPVCPRLRLPBGT-IEECTRCBSA-N 208.301 1.865 30 30 BDEC N#CC(C#N)=NNc1cc(-c2ccccc2)n[nH]1 165348 YXXSCMYJFFMRNM-UHFFFAOYSA-N 236.238 1.892 30 30 BDEC CCC#CC[C@]1(C(=O)OC)CCCC1=O 5767929 HYEFLBYVQZARSG-LBPRGKRZSA-N 208.257 1.702 30 30 BDEC Cc1ccc(S(=O)(=O)O[C@H]2CCNC2)cc1 137791775 OFXGEDZSEKJBCH-JTQLQIEISA-N 241.312 1.062 30 30 BDEC O=C(NO)c1csc(-c2cccnc2)n1 1040591 XXMNXKFDTRMRKI-UHFFFAOYSA-N 221.241 1.324 30 30 BDEC CCOC(C[C@H](C#N)C(=O)OC)OCC 39119388 YALZVCXTKKLTHU-MRVPVSSYSA-N 215.249 1.088 30 30 BDEC CCOC(=O)[C@H]1O[C@H]1c1cccc(C)c1 2265381379 CVOYLKPRJOQIAK-QWRGUYRKSA-N 206.241 1.998 30 30 BDEC COc1ccc(Cl)cc1NC(=O)C=NO 254734349 PQBVQTQRUFZFOI-UHFFFAOYSA-N 228.635 1.747 30 30 BDEC Cc1ccc(S(=O)(=O)O[C@@H](C)C(=O)O)cc1 11888147 QXYOROBKCZWFKK-QMMMGPOBSA-N 244.268 1.173 30 30 BDEC C[C@@H](O)CN(CC#N)C(=O)OC(C)(C)C 95348201 PEWOHDZJAIBOPH-MRVPVSSYSA-N 214.265 1.128 30 30 BDEC c1ccc2c(c1)CCC/C2=N\NC1=NCCN1 145570 DJKCMFHYHCMOMS-FOWTUZBSSA-N 228.299 1.276 30 30 BDEC C#CCOC(=O)Nc1ccc(OC)nc1 4335907 UYABHOZOOUGWBP-UHFFFAOYSA-N 206.201 1.272 30 30 BDEC C[S@@](=O)c1sc(C#N)c2c1C(=O)CCC2 4349694 JJKDSFONVPDGHM-HNNXBMFYSA-N 239.321 1.876 30 30 BDEC CCCN1C(=O)C(=NN)c2ccccc21 254799548 ZEDJVEJVFZMZLG-UHFFFAOYSA-N 203.245 1.106 30 30 BDEC Cc1ccc(NN=C2CCCNC2=O)cc1 254893677 BWCYYCWSCABXGH-UHFFFAOYSA-N 217.272 1.673 30 30 BDEC CCN[C@@H]1C=C(C)C(=O)CC(C)(C)[C@H]1O 39097206 HOXQUVJHQSHSPR-KOLCDFICSA-N 211.305 1.271 30 30 BDEC Clc1ccc(/C=N/Nc2nc[nH]n2)cc1 6221172 MUKJLHPUVVBJNO-LFYBBSHMSA-N 221.651 1.904 30 30 BDEC N#Cc1ccc(OC2CCNCC2)cn1 122700468 VKVMNRYPSXIKRH-UHFFFAOYSA-N 203.245 1.084 30 30 BDEC N/C(=N\O)c1snnc1-c1ccccc1 4322808 SQHIFQIMYSQGDS-UHFFFAOYSA-N 220.257 1.300 30 30 BDEC N/C(=N\C(=O)Nc1ccccc1)N1CCCC1 223726057 RODHXOMLLXLDKS-UHFFFAOYSA-N 232.287 1.629 30 30 BDEC CC(=O)Nc1nnc(SCC#N)s1 2150997 OSGVBEVJCNQOAU-UHFFFAOYSA-N 214.275 1.112 30 30 BDEC CC(=O)/C(=C\N(C)C)c1ncccc1[N+](=O)[O-] 4693507 SXQGLTZUHZWBCH-VQHVLOKHSA-N 235.243 1.481 30 30 BDEC N#CCC(=O)NC(=O)Nc1ccc(F)cc1F 171230 HAZZYUKSXNUHMX-UHFFFAOYSA-N 239.181 1.527 30 30 BDEC O=C(O)C1=CN=C2c3ncccc3C=C[C@H]2C1=O 207880866 YZRSIMPDMZRLJK-MRVPVSSYSA-N 240.218 1.065 30 30 BDEC N#CC(C#N)=NNc1ccc(F)c(F)c1F 110933 WPHRQKNWPHWSNZ-UHFFFAOYSA-N 224.145 1.919 30 30 BDEC N/C(CC(=O)Nc1ccc(F)c(F)c1F)=N\O 4300564 BSQVTQROWMQFOU-UHFFFAOYSA-N 247.176 1.179 30 30 BDEC C=CCN(c1ncccn1)C1CCNCC1 72233156 YVSYRYGDSNMEJL-UHFFFAOYSA-N 218.304 1.221 30 30 BDEC COc1ccc(C(C)=NNC(N)=S)cc1 252447374 JPXKIPVPEBSPLT-UHFFFAOYSA-N 223.301 1.252 30 30 BDEC CS/C(=N\C#N)NCc1c(N)cccc1F 16010429 TXDSAGJUUQQVIB-UHFFFAOYSA-N 238.291 1.698 30 30 BDEC Cc1nc(N/C=N/O)ccc1Br 11535914 ZJEHWUPFKXWGQR-UHFFFAOYSA-N 230.065 1.982 30 30 BDEC CNCB1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 208213753 UGAWCTKVAYZCRM-WDCWCFNPSA-N 223.125 1.473 30 30 BDEC C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2C 100270820 AUHQRTFXZKGZHG-ISUQUUIWSA-N 210.273 1.511 30 30 BDEC C[S@@](=O)c1cc(C(F)(F)F)cnc1C#N 2265365052 RICAJEUNWJEVTE-OAHLLOKOSA-N 234.202 1.709 30 30 BDEC N#CCCSc1nnnn1-c1ccccc1 2031041 MRIBCCHYZOSDOM-UHFFFAOYSA-N 231.284 1.668 30 30 BDEC O/N=C1/[C@H]2C[C@H]3[C@H]1[C@]14C[C@H]([C@@H]31)[C@H]2/C4=N\O 252428354 ZJUIDIFKZKQARK-HJJQNGCNSA-N 204.229 1.179 30 30 BDEC C=C(C)CON1C(=O)c2ccccc2C1=O 139895848 QESPYTJGALKCRL-UHFFFAOYSA-N 217.224 1.790 30 30 BDEC CSc1nn(-c2ccccc2)cc1/C(N)=N/O 4362470 OYZMAKVJPPFJEQ-UHFFFAOYSA-N 248.311 1.689 30 30 BDEC COc1cnc(C#N)c(C(F)(F)F)c1 307003733 JHIJZHZRNCPKHI-UHFFFAOYSA-N 202.135 1.981 30 30 BDEC Cn1nc(-c2ccccc2)c(C#N)c1C(=O)O 82293741 AWJSEOHRHWYFKP-UHFFFAOYSA-N 227.223 1.657 30 30 BDEC CC/N=C1\S[C@H](CC)C(=O)N1CC 197899656 DHBXMOQXBKOXJT-BFUDMSGGSA-N 200.307 1.736 30 30 BDEC CN(N=O)[C@@H](CCC=O)c1cccnc1 5318378 FRJHUNPWTKLYGL-JTQLQIEISA-N 207.233 1.715 30 30 BDEC in-vitro CCCCCCCC(=O)NC(N)=S 95803617 DXZVIWFRNGADRH-UHFFFAOYSA-N 202.323 1.707 30 30 BDEC C=C[C@]1(C)CC[C@@H]2[C@H](C)C(=O)NC(=N)N21 32297282 JICZMZVYTMAXGX-VAOFZXAKSA-N 207.277 1.096 30 30 BDEC endogenous,in-man CN(C)c1cc(C(F)(F)F)cnc1/C(N)=N/O 4390201 SPPWJOALCFKKJT-UHFFFAOYSA-N 248.208 1.261 30 30 BDEC N#Cc1ccccc1OC1(C(=O)O)CC1 300760019 NFQGMVSGOKETRL-UHFFFAOYSA-N 203.197 1.554 30 30 BDEC CC(C)=NN(C)c1ncccc1[N+](=O)[O-] 4363783 XBFXRQRFZVIBML-UHFFFAOYSA-N 208.221 1.822 30 30 BDEC O=C1C=C/C(=N\O)C(I)=C1 101201096 BZXNDOLTBKHABM-SOFGYWHQSA-N 249.007 1.274 30 30 BDEC NN=C(C1CC1)C1C(=O)c2ccccc2C1=O 1082839316 WNGAKFIFEQVFON-UHFFFAOYSA-N 228.251 1.407 30 30 BDEC C=C(C)CCNc1ncnc2[nH]cnc12 5048203 BPRQFDNBWVMLPS-UHFFFAOYSA-N 203.249 1.731 30 30 BDEC N#Cc1ccccc1-n1ncc(C#N)c1N 167167 NLAYMTUCFRMBJZ-UHFFFAOYSA-N 209.212 1.198 30 30 BDEC CC#CC[C@@H](C=O)NC(=O)OC(C)(C)C 13588589 DHJDFHOSKBYZPS-VIFPVBQESA-N 211.261 1.492 30 30 BDEC CCN[C@H]1C=C(C)C(=O)CC(C)(C)[C@H]1O 39097208 HOXQUVJHQSHSPR-ONGXEEELSA-N 211.305 1.271 30 30 BDEC C=CCOC(=O)N[C@H](C(=O)O)C(C)C 2048662 MQKQMLUPZZNVCK-ZETCQYMHSA-N 201.222 1.008 30 30 BDEC CS(=O)(=O)Nc1ccc(C(=O)CC#N)cc1 34334681 ZCCYQOFDMVUCOQ-UHFFFAOYSA-N 238.268 1.154 30 30 BDEC N#Cc1ccc(Br)c(NN)c1 230279324 CSXCQOIIRRUCDJ-UHFFFAOYSA-N 212.050 1.606 30 30 BDEC in-vitro N#CCNc1ccc([N+](=O)[O-])cc1C#N 4307555 UUADXOXAUNTDEJ-UHFFFAOYSA-N 202.173 1.402 30 30 BDEC C=C(C)COc1cccc(S(N)(=O)=O)c1 1554770554 WLEINXLHBVTNSO-UHFFFAOYSA-N 227.285 1.289 30 30 BDEC C#CC[C@@]1(C(=O)OC(C)(C)C)CCOC1 1535646323 XQVIIKGLYYYUCO-GFCCVEGCSA-N 210.273 1.758 30 30 BDEC C=CCOC(=O)[C@H]1O[C@@H]1c1ccccc1 1695140 GOGSOMHYWHWPJL-MNOVXSKESA-N 204.225 1.856 30 30 BDEC N#C[C@H]1C[C@H]2[C@H](O)CC[C@H]1N2Cc1ccccc1 306417219 XVJZMHJFKGAQGC-APIJFGDWSA-N 242.322 1.924 30 30 BDEC O=C1NCCCN1N=Cc1ccc([N+](=O)[O-])cc1 777903424 YLAJLLMFZZGFDW-UHFFFAOYSA-N 248.242 1.344 30 30 BDEC C[C@H](c1cccc(C#N)c1)N1CCNCC1 69637399 JMZITBZHHYXLPQ-LLVKDONJSA-N 215.300 1.524 30 30 BDEC in-vitro CN(/N=C/c1cc[n+](C)cc1)c1ccccc1 6068503 FGVWHENWNJKCEH-UHFFFAOYSA-N 226.303 1.981 30 30 BDEC O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1 87246 XWYOMGXZBJEFQO-UHFFFAOYSA-N 242.230 1.035 30 30 BDEC CC[C@@]1(C)C(=O)C=Cc2c1oc(C)c(CO)c2=O 14713187 JUWRYWAZYBSNCI-AWEZNQCLSA-N 248.278 1.704 30 30 BDEC CC(C)COCCOCCOC[C@@H]1CO1 38171402 YZVDZGBALSHCNY-LLVKDONJSA-N 218.293 1.091 30 30 BDEC CC(=O)Nc1cc(C#N)cc(NC(C)=O)c1 39124308 FUYBGNYABYYLBH-UHFFFAOYSA-N 217.228 1.475 30 30 BDEC C=C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 238111796 CNKQXIZXNPGTRO-DTWKUNHWSA-N 213.277 1.712 30 30 BDEC C=CCN(C)Cc1cc(N)cc([N+](=O)[O-])c1 710676189 GGLSRNOSBHWZJN-UHFFFAOYSA-N 221.260 1.795 30 30 BDEC C[C@H](O)CN(CC#N)C(=O)OC(C)(C)C 95348200 PEWOHDZJAIBOPH-QMMMGPOBSA-N 214.265 1.128 30 30 BDEC CC(C)(C)OC(=O)N[C@H](C=O)CC(F)F 140191764 WKCCIGQNRRYJKN-LURJTMIESA-N 223.219 1.734 30 30 BDEC CC(C)NC[C@H](O)COc1ccccc1C#N 2007733 YTTFGUYTPJYRBQ-LBPRGKRZSA-N 234.299 1.296 30 30 BDEC N#Cc1ccc(Br)c(CN)c1 238633799 CXGLMRLIJWZMFG-UHFFFAOYSA-N 211.062 1.779 30 30 BDEC N#Cc1c(Br)nc2n1CCOC2 950757180 FAJFGBBJXPPZLJ-UHFFFAOYSA-N 228.049 1.047 30 30 BDEC N#Cc1ccsc1NC(=O)/C=C/C(=O)O 12340353 VBGMLKGGJPAWLM-OWOJBTEDSA-N 222.225 1.199 30 30 BDEC C[C@@]1(CO)CS/C(=N\c2cccnc2)N1 4695439 JPPHFWOROHJVQR-SNVBAGLBSA-N 223.301 1.157 30 30 BDEC COC1=CC(=O)/C(=N\O)c2ccccc21 2527983 VZDSXOWJTHNRGS-QXMHVHEDSA-N 203.197 1.435 30 30 BDEC NC(N)=Nc1nc(-c2cccc(N)c2)cs1 27526172 QDNHJPYZKZDMNJ-UHFFFAOYSA-N 233.300 1.297 30 30 BDEC CS(=O)(=O)OCC[C@@H]1CCCC1(F)F 642882270 NCUGQNHIYKEOSU-ZETCQYMHSA-N 228.260 1.788 30 30 BDEC CCCO[C@@H](/C(N)=N/O)c1ccccc1 5648193 MAPKBBPFYZDEQQ-SNVBAGLBSA-N 208.261 1.901 30 30 BDEC C=CC[C@]1(O)C(=O)Nc2cc(CC)ccc21 15042428 NEZJHFJISLMKMV-CYBMUJFWSA-N 217.268 1.965 30 30 BDEC C=C(C)C(=O)OCCN1CCO[C@]1(C)CC 31319891 HNIDDMPZRCDQSQ-GFCCVEGCSA-N 227.304 1.564 30 30 BDEC N#Cc1cnc2cc(-c3cccs3)nn2c1N 165928 LZTSHQYBIWLALJ-UHFFFAOYSA-N 241.279 1.912 30 30 BDEC CNC(=S)N/N=C(\C)c1ccc(OC)cc1 4693436 XRRNIYHFKLQWSL-MDWZMJQESA-N 237.328 1.513 30 30 BDEC COC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1 39270101 QPPFIRCWDRIUEZ-SNVBAGLBSA-N 244.312 1.735 30 30 BDEC CC(=O)/C(=N\O)C(=O)Nc1cccc(C)c1 96347740 WCTVAZBNOOTUSJ-JLHYYAGUSA-N 220.228 1.353 30 30 BDEC CCc1ccc(CC)c(C(=O)NO)c1O 39101369 FCPRZXYDUDXNRO-UHFFFAOYSA-N 209.245 1.636 30 30 BDEC CC(=O)N1c2ccccc2OC[C@@H]1C#N 39318370 SXMSPPHEQTXVSO-VIFPVBQESA-N 202.213 1.324 30 30 BDEC C=C(C)CC1(CCC)C(=O)NC(=O)NC1=O 5649440 DKTIRECFGPZPCF-UHFFFAOYSA-N 224.260 1.105 30 30 BDEC C/C=C/CC1=C(O)C(=O)C=C(OC)C1=O 299803230 BSDKJOFXZBNNIA-ONEGZZNKSA-N 208.213 1.447 30 30 BDEC C[C@H](CC(=O)O)CC(=O)Nc1cccc(C#N)c1 100905 VNRJOHQSSZYWBV-VIFPVBQESA-N 246.266 1.998 30 30 BDEC N#Cc1ccc(-c2noc(C(=O)O)n2)cc1 95642132 RDAZFJGRDZJKSL-UHFFFAOYSA-N 215.168 1.306 30 30 BDEC C[C@@H]1CN(c2ncc(C=NO)s2)C[C@@H](C)O1 254393703 ROFRUFGXDYFUTF-HTQZYQBOSA-N 241.316 1.565 30 30 BDEC C#CCOc1cc(C=NO)ccc1OC 254489051 VXHQLDWGWUAXRU-UHFFFAOYSA-N 205.213 1.515 30 30 BDEC O=C[C@@H]1CC1(Br)Br 196441637 UDQZVPAQYKKCTM-VKHMYHEASA-N 227.883 1.691 30 30 BDEC C[C@](N)(C#N)COc1ccc(Cl)cc1 138383201 YRNSYBQFQLRCIC-JTQLQIEISA-N 210.664 1.960 30 30 BDEC N#C/C(=N\O)C(=O)c1ccc(Cl)cc1 95649 ZFSDUUXTWGHSCG-XYOKQWHBSA-N 208.604 1.876 30 30 BDEC C#CC[C@H]1COCCN1C(=O)OC(C)(C)C 225748973 IAPMRPFGCDWZEM-JTQLQIEISA-N 225.288 1.646 30 30 BDEC CC(C)(C)OC(=O)N1CCC[C@](O)(CC#N)C1 260296063 TUMOPFYSBYAMOD-LBPRGKRZSA-N 240.303 1.662 30 30 BDEC N#C/C(=N\Nc1ccc(F)cc1)C(N)=S 138745 GRVNYKKXZSZKNG-RIYZIHGNSA-N 222.248 1.403 30 30 BDEC C=CCOC(=O)[C@@H]1O[C@@H](OCC)CS1 238296084 AUVKVSXJYWYMDX-VXNVDRBHSA-N 218.274 1.168 30 30 BDEC CC(=O)OCCB1OC(C)(C)C(C)(C)O1 198438592 SLSUWTOYGHJHCJ-UHFFFAOYSA-N 214.070 1.642 30 30 BDEC CC[C@]1(C=O)COCCN1C(=O)OC(C)(C)C 2265384957 KYUXHRKROUFBMH-LBPRGKRZSA-N 243.303 1.601 30 30 BDEC COP(=O)(C#CC(F)(F)F)OC 2265384733 RAGAJMQUHXGIGC-UHFFFAOYSA-N 202.068 1.996 30 30 BDEC N#C[C@@H]1C[C@H]2[C@H](O)CC[C@H]1N2Cc1ccccc1 306417221 XVJZMHJFKGAQGC-LJISPDSOSA-N 242.322 1.924 30 30 BDEC CC(C)NC(=S)N/N=C/c1ccco1 72127 NACPAYQOCKFIBM-UXBLZVDNSA-N 211.290 1.486 30 30 BDEC C=CCN1CCN(C(=O)OC(C)(C)C)CC1 97476420 PMOKFILPEDLZAP-UHFFFAOYSA-N 226.320 1.725 30 30 BDEC C1O[C@@H]1CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@@H]3C[C@@H]12 256445948 NJBGVARMYOOVSX-VKRSBNQXSA-N 222.284 1.214 30 30 BDEC CC(C)(C)OC(=O)N1CCSC[C@@H]1C#N 39957290 HMCWHZMUAVBZNL-QMMMGPOBSA-N 228.317 1.862 30 30 BDEC COC(=O)[C@@]1(C)O[C@@]1(C)c1ccccc1 39274966 PVJSAAXPHUIGEY-NWDGAFQWSA-N 206.241 1.864 30 30 BDEC in-vitro CS(=O)(=O)OC[C@H]1CCCCC1(F)F 238850691 CPGQPMOLCRCDSX-SSDOTTSWSA-N 228.260 1.788 30 30 BDEC CC[C@@H]1O[C@@H]1S(=O)(=O)c1ccccc1 39101636 RBXBLIZJJFKKTM-VHSXEESVSA-N 212.270 1.595 30 30 BDEC COc1ccc(-c2nn(CCC#N)c(=O)[nH]2)cc1 4366776 RXQVGRSLWNMANA-UHFFFAOYSA-N 244.254 1.161 30 30 BDEC C[C@@H](C#N)c1ccc(S(C)(=O)=O)cc1 37245547 MMUKSWLAKOHDIS-QMMMGPOBSA-N 209.270 1.717 30 30 BDEC CCCCCCCC(=O)N(C)CCO 103216117 GYMBMKPFELGDCD-UHFFFAOYSA-N 201.310 1.798 30 30 BDEC COC1=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)C1=O 396135031 CZIFRTCXMXHDPP-QHOPCYEYSA-N 204.225 1.107 30 30 BDEC C=C(C)C(=O)NCCc1ccc(O)cc1 3604500 VGFIPNNZCAAAMJ-UHFFFAOYSA-N 205.257 1.627 30 30 BDEC CCOC(=O)Nc1ccc(N)cc1C#N 36744183 WXGQPRIKCNUCFG-UHFFFAOYSA-N 205.217 1.709 30 30 BDEC in-vitro C/N=C(\N)SCC(F)(F)C(F)F 72232839 VORGWKSKUCKBEF-UHFFFAOYSA-N 204.192 1.565 30 30 BDEC in-vitro N#Cc1ccc([C@@]2(C(=O)O)CCO2)cc1 2265385047 SCZJMEXDBZKOEF-LLVKDONJSA-N 203.197 1.258 30 30 BDEC C[C@H](Oc1cccc(CS)c1)C(=O)O 33605435 RKQNEZAUXLNGJJ-ZETCQYMHSA-N 212.270 1.968 30 30 BDEC Cc1cc(C(=O)NO)c2ccccc2n1 19471398 SWMIHIJSZQNXPH-UHFFFAOYSA-N 202.213 1.662 30 30 BDEC in-vitro CON=C[C@@H](C#N)[C@@H]1OC(=O)c2ccccc21 254706158 WYFRJKLUFWTNAF-KCJUWKMLSA-N 230.223 1.670 30 30 BDEC CCOC(=O)/C=N/[S@@](=O)C(C)(C)C 100333687 CHPAJOSJONRYPT-YSKGHYERSA-N 205.279 1.083 30 30 BDEC O=C1CC(S)(S)C(=O)N1c1ccccc1 39124785 YQJXOPVOPJCKFK-UHFFFAOYSA-N 239.321 1.506 30 30 BDEC COCCCNC(=S)N/N=C/c1ccco1 3086660 YDXLCFXYDYKXAX-XYOKQWHBSA-N 241.316 1.114 30 30 BDEC C[C@H](Oc1cccnc1)C(=O)C=CN(C)C 2265233901 SCXDZZBYICSCAT-JTQLQIEISA-N 220.272 1.493 30 30 BDEC COC(=O)C(=CN(C)C)N=Cc1ccccc1 2265271942 MHRRZUYXNALEQN-UHFFFAOYSA-N 232.283 1.682 30 30 BDEC CC(C)(C#CCOc1ccccc1C=O)CO 536553461 CVBAXSKUWBVXSB-UHFFFAOYSA-N 232.279 1.900 30 30 BDEC COc1ccc(N/N=C(\C#N)C(=O)C2CC2)cc1 96392 CTCSIOWYPLVDAR-FOWTUZBSSA-N 243.266 1.966 30 30 BDEC C=C(C)C(=O)N[C@H](O)C(Cl)(Cl)Cl 5194724 HYIOVDDWOCTHOG-RXMQYKEDSA-N 232.494 1.367 30 30 BDEC C#CC[C@]1(C(=O)OC(C)(C)C)CCCO1 1536219798 DNHNUEAFAZIUGH-GFCCVEGCSA-N 210.273 1.901 30 30 BDEC C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#N 260510429 NZYARUVJKPPVIN-SKDRFNHKSA-N 239.319 1.484 30 30 BDEC CC(C)(C)OC(=O)N[C@@H](CCS)C(=O)O 2583246 PQADCRYOPOVXDV-LURJTMIESA-N 235.305 1.284 30 30 BDEC CON=CCC(=O)Nc1ccc(F)cc1F 263621927 TYCSSPMCZUVOBL-UHFFFAOYSA-N 228.198 1.926 30 30 BDEC C=CCN1C(=O)N(C)C2(CCCCC2)C1=O 5965998 DRACLKJSHZFAEF-UHFFFAOYSA-N 222.288 1.769 30 30 BDEC C#CCSc1nnc(NC(C)=O)s1 38634861 LDXGTEYZWFCVMC-UHFFFAOYSA-N 213.287 1.222 30 30 BDEC C=C[C@H](CC(N)=O)c1ccc(OC)cc1 35077339 CUTOYZOEYRYCCH-SECBINFHSA-N 205.257 1.840 30 30 BDEC COc1cc(OC)nc(SCC#N)n1 39121176 NBHYYMKGPTWMQL-UHFFFAOYSA-N 211.246 1.109 30 30 BDEC ON=C1[C@@H]2[C@H]3/C(=N\O)[C@H]4[C@@H]5C[C@H]([C@@H]14)[C@@H]2[C@@H]35 1085283733 SVFZGSIUSSQSRE-FASDZIPBSA-N 204.229 1.035 30 30 BDEC CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2O[C@@H]2C1 113990916 PYZCXLIAMPGJIB-IWSPIJDZSA-N 213.277 1.831 30 30 BDEC OCC(F)(F)C(F)(F)OC(F)(F)F 34286353 RWYUYGWYCKHXOR-UHFFFAOYSA-N 216.052 1.743 30 30 BDEC C#C[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 39093594 ZZYCHWANMWNDOH-DTWKUNHWSA-N 211.261 1.302 30 30 BDEC CN(C(=O)NCCC#N)C(=O)Nc1ccccc1 39322466 ZKZIJMQJPZHUIP-UHFFFAOYSA-N 246.270 1.774 30 30 BDEC COC(=O)CC(=O)/C=C/c1ccc(Cl)nc1 49587157 KKQMYWNFIHJJJZ-DUXPYHPUSA-N 239.658 1.880 30 30 BDEC CCO[C@@H]1C[C@H](OS(C)(=O)=O)C1(C)C 306295592 JRIUFCPYBHRCSR-SFYZADRCSA-N 222.306 1.166 30 30 BDEC CN/C(=N/C#N)Sc1ccc(F)cc1 4290479 JMRXSXCJSBGGSU-UHFFFAOYSA-N 209.249 1.974 30 30 BDEC N#Cc1c(C(=O)O)n[nH]c1-c1ccccc1 75622389 UXMSHGDLBKSTHA-UHFFFAOYSA-N 213.196 1.647 30 30 BDEC CC(=O)N[C@@](C)(C#N)Cc1ccc(O)cc1 263584046 IUDXXXXLDAZPQK-GFCCVEGCSA-N 218.256 1.353 30 30 BDEC C=CCn1nc2n(c1=O)-c1ccccc1SC2 160625 LWZYSTPHKSVMGZ-UHFFFAOYSA-N 245.307 1.826 30 30 BDEC CC(=O)OC1(OC(C)=O)C(=O)C=C(C)C=C1C 223717672 LPJXHTXZQDYUBG-UHFFFAOYSA-N 238.239 1.284 30 30 BDEC COc1c(Br)ccnc1C#N 98179686 FVSWXCXENXZVFR-UHFFFAOYSA-N 213.034 1.724 30 30 BDEC C#CC[C@]1(C(=O)OC(C)(C)C)CCOC1 1535646324 XQVIIKGLYYYUCO-LBPRGKRZSA-N 210.273 1.758 30 30 BDEC C=CCCCCNC(=O)CCCCC(N)=O 5157720 DIFFWVVIHKVXDB-UHFFFAOYSA-N 226.320 1.505 30 30 BDEC CC(=NOC[C@@H](O)CNC(C)(C)C)C1CC1 309151648 IYQDIWRBEQWANY-NSHDSACASA-N 228.336 1.538 30 30 BDEC CC(=O)Nc1ccc(CC(C#N)C#N)cc1 151039 ZINIKQUTPFZFFG-UHFFFAOYSA-N 213.240 1.851 30 30 BDEC C[N+](C)(C)CC(=O)CC(=O)Nc1ccccc1 33608421 IOGDMVHANLGZPH-UHFFFAOYSA-O 235.307 1.291 30 30 BDEC COC(=O)CCCc1ccc(C#N)cc1[N+](=O)[O-] 214465141 UQQXDGPVIRESSM-UHFFFAOYSA-N 248.238 1.962 30 30 BDEC CCOC(=O)c1c(C(F)(F)F)oc(N)c1C#N 32628165 JVPDMOYDBMWBBX-UHFFFAOYSA-N 248.160 1.929 30 30 BDEC in-vitro CS/C(=N\C#N)NCc1ccccn1 16010452 MCYAAHNWXIUMFS-UHFFFAOYSA-N 206.274 1.371 30 30 BDEC C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#N 260510427 NZYARUVJKPPVIN-JOYOIKCWSA-N 239.319 1.484 30 30 BDEC C=CC[C@@]1(O)C(=O)Nc2cc(CC)ccc21 15042432 NEZJHFJISLMKMV-ZDUSSCGKSA-N 217.268 1.965 30 30 BDEC CN(C)/C=N/c1nnc(SCC#N)s1 15906877 MUZMLSFHVIWOLM-WEVVVXLNSA-N 227.318 1.375 30 30 BDEC C=C[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 605706477 OGBSSEYEKYIOTI-CABZTGNLSA-N 225.288 1.951 30 30 BDEC C=CCOCC(COCC=C)OCC=C 1841155 BXZCTALFGYLMTD-UHFFFAOYSA-N 212.289 1.963 30 30 BDEC C=CC[C@]1(N)CCN(C(=O)OC(C)(C)C)C1 307597208 NIJUVWOOJQTXTQ-LBPRGKRZSA-N 226.320 1.901 30 30 BDEC CCCSc1nnc(N/C=N/O)s1 15906881 GPQASGCAMKADMQ-UHFFFAOYSA-N 218.307 1.870 30 30 BDEC C[C@@H](c1cccc(C#N)c1)N1CCNCC1 69637397 JMZITBZHHYXLPQ-NSHDSACASA-N 215.300 1.524 30 30 BDEC in-vitro O=[N+]([O-])c1cc(CS)cc(O)c1O 39096279 HQKXEYUCNKNTMH-UHFFFAOYSA-N 201.203 1.436 30 30 BDEC N#CC[S@](=O)c1nc2ccccc2s1 38997682 ZIRKJTGZOPVQAL-CQSZACIVSA-N 222.294 1.927 30 30 BDEC N#CCCn1ncc(C#N)c1-n1cccc1 3137875 GXAYPWSTSOHGOS-UHFFFAOYSA-N 211.228 1.459 30 30 BDEC C=CCNC1=C(c2ccccc2)C(=O)[C@H]1O 100251582 FXARRKJCZHLBNR-ZDUSSCGKSA-N 215.252 1.117 30 30 BDEC CC(C)(C)OC(=O)N1CCC[C@@H]1C#CC(=O)O 307760709 WQDZHZALQWGGPL-SECBINFHSA-N 239.271 1.474 30 30 BDEC N/C(COc1cc(F)cc(F)c1)=N/O 54933161 GSFDWHWELXYCKG-UHFFFAOYSA-N 202.160 1.090 30 30 BDEC in-vitro COC1=C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)C1=O 396135025 CZIFRTCXMXHDPP-AZQAYCESSA-N 204.225 1.107 30 30 BDEC N#CC[C@]1(O)CCN(Cc2ccccc2)C1 259297128 BMCAXKPTGPKPDV-ZDUSSCGKSA-N 216.284 1.537 30 30 BDEC O=C(/C=N/O)Nc1ccc2ncsc2c1 38284098 HDOGEVCXGYPXOR-NYYWCZLTSA-N 221.241 1.695 30 30 BDEC O=C1N(Cc2ccccc2)C/C(=N/O)C12CC2 140639007 IIEDFFXQMZVILI-KAMYIIQDSA-N 230.267 1.639 30 30 BDEC in-vitro Cc1nc(-c2cc(C#N)c(=O)[nH]c2C)cs1 13657673 QFMUACRQXSEPBY-UHFFFAOYSA-N 231.280 1.987 30 30 BDEC CN(C)C=NC(=S)Nc1ccccc1 254401076 YVOIYVCUBYCEKA-UHFFFAOYSA-N 207.302 1.973 30 30 BDEC CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 299803805 DTFUNTUYPODOKC-UHFFFAOYSA-N 236.076 1.781 30 30 BDEC CS(=O)(=O)OCc1ccc(Cl)c(F)c1 148872175 BWERPJRZDJHNFY-UHFFFAOYSA-N 238.667 1.955 30 30 BDEC C#CCSc1nc(-c2cccnc2)n[nH]1 4391910 YTPVANSBXHNKKM-UHFFFAOYSA-N 216.269 1.592 30 30 BDEC C=CCOc1c(OC)cccc1C(=O)O 33638153 YOAIHTMTCQXBPI-UHFFFAOYSA-N 208.213 1.958 30 30 BDEC COC(=O)c1ccc2c(c1)NC[C@@H](C#N)O2 90568264 GYKVJWCSLYVHNM-MRVPVSSYSA-N 218.212 1.170 30 30 BDEC CCC[C@H](O)[C@@]1(C)OC(C)=C(O)C1=O 5839292 NOYLNCIBDODDPI-OIBJUYFYSA-N 200.234 1.295 30 30 BDEC CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2O[C@@H]2C1 113904028 PYZCXLIAMPGJIB-HRDYMLBCSA-N 213.277 1.831 30 30 BDEC CN(C)C(S[C@H]1CCCCN1)=[N+](C)C 2265382650 LLMCIFDMQJJXCD-VIFPVBQESA-N 216.374 1.009 30 30 BDEC CC(=O)N/C(=C\c1ccc(C#N)cc1)C(=O)O 4710217 DJWWYLHOVQZBNM-WDZFZDKYSA-N 230.223 1.120 30 30 BDEC Cc1cc(-c2ccc(C#N)s2)nc(N)n1 84193853 FLKSXGWYMFXROD-UHFFFAOYSA-N 216.269 1.967 30 30 BDEC CC(C)(C)c1ccc(N/N=C(/C#N)C(N)=O)cc1 129042 UBEDZAQQKZALMK-BOPFTXTBSA-N 244.298 1.761 30 30 BDEC Cc1cc(C)c(C(=O)N=CN(C)C)c(N)n1 309272979 CQRBJOJDOXSYPB-UHFFFAOYSA-N 220.276 1.011 30 30 BDEC CCO[C@H]1CCCC[C@]1(C#N)OC(C)=O 39099761 PSGIEDBOIWTURE-WDEREUQCSA-N 211.261 1.791 30 30 BDEC O=C1C=CC(=NNc2ccccn2)C(O)=C1 256006858 VLCAILLZPUINNF-UHFFFAOYSA-N 215.212 1.430 30 30 BDEC N#Cc1cc2c(nc1Cl)CCS(=O)(=O)C2 43404761 TWNJXKWZTKTFTG-UHFFFAOYSA-N 242.687 1.078 30 30 BDEC O=C1C=C(Br)C(=O)C=C1Cl 163116 BLKNXCDXKNWYGO-UHFFFAOYSA-N 221.437 1.540 30 30 BDEC CC1(C)OB(c2cccc(O)c2C=O)OC1(C)C 206122581 UKWVSMKUNWTVIN-UHFFFAOYSA-N 248.087 1.504 30 30 BDEC CC(C)[C@H](C=O)CNC(=O)OC(C)(C)C 98209735 FCTUHRCTKMXYGY-VIFPVBQESA-N 215.293 1.982 30 30 BDEC in-vitro N#Cc1cccnc1NC1CCNCC1 37116590 WWYZZSOZRWFVBC-UHFFFAOYSA-N 202.261 1.117 30 30 BDEC CC(=N\N)/C(=N/O)Nc1cccc(C)c1 38174833 RNNQTSSEWRYVIP-MDWZMJQESA-N 206.249 1.529 30 30 BDEC CC(C)(C)OC(=O)NCCC/C(N)=N/O 54138856 NWWOOPIJCNWTLU-UHFFFAOYSA-N 217.269 1.038 30 30 BDEC COc1ccc(Cn2cc(C#N)nn2)cc1 66347730 ODEXNGQSWBBNRR-UHFFFAOYSA-N 214.228 1.207 30 30 BDEC CC(C)(C)OC(=O)N[C@@H](CC=O)C(F)F 113080642 IGQGBBWDUSYYBJ-LURJTMIESA-N 223.219 1.734 30 30 BDEC CSc1nc(/N=C/N(C)C)nn1CCC#N 4323339 VLUFNURHVFSSJZ-YRNVUSSQSA-N 238.320 1.135 30 30 BDEC CCOC(=O)[C@](C)(C#N)Cc1ccccn1 82164624 ADQZYJTWNUSGCH-LBPRGKRZSA-N 218.256 1.717 30 30 BDEC CC(C)(C)OC(=O)c1ncn(C2(C#N)CC2)c1N 1535644405 XDODYHNWQCOHSI-UHFFFAOYSA-N 248.286 1.433 30 30 BDEC COCC[C@H](C=O)NC(=O)OC(C)(C)C 210798253 PGSFVPPKTKWKLJ-MRVPVSSYSA-N 217.265 1.115 30 30 BDEC C[S@@](=O)Cc1cccc(C#N)c1C#N 2265352019 YARHNMPXSORUAM-CQSZACIVSA-N 204.254 1.308 30 30 BDEC Cc1cc(N)c(B2OC(C)(C)C(C)(C)O2)cn1 306764965 LFYSHYMNQZMLEW-UHFFFAOYSA-N 234.108 1.271 30 30 BDEC N#Cc1ccnc(I)c1F 306911630 LBKOWODSBZBKEP-UHFFFAOYSA-N 247.998 1.697 30 30 BDEC C#Cc1ccc(OCC(=O)O)c(OC)c1 238461485 MNPJRTBMWVUADN-UHFFFAOYSA-N 206.197 1.140 30 30 BDEC COc1cc(C(=O)O)c2c(c1OC)C(=O)C=C2 104850530 PESQUHVOSVWENL-UHFFFAOYSA-N 234.207 1.612 30 30 BDEC CCc1ccc(C(=O)NO)c(O)c1CC 39101371 GKVJJSPFEOEPMG-UHFFFAOYSA-N 209.245 1.636 30 30 BDEC CN(C)C=Nc1ccc([N+](=O)[O-])cc1C#N 256090785 RLSZPRPVHOOMBN-UHFFFAOYSA-N 218.216 1.688 30 30 BDEC N/C(=N\O)[C@@H]1CSc2ccccc2C1=O 4365183 MNPFJQUDCMAKTI-SSDOTTSWSA-N 222.269 1.338 30 30 BDEC C#CCN(C)CCN(C)C(=O)OC(C)(C)C 91764015 MKLJXBHRNILMEL-UHFFFAOYSA-N 226.320 1.418 30 30 BDEC N#Cc1cncc2c(Br)n[nH]c12 261187414 IKEODOUXLUVXOV-UHFFFAOYSA-N 223.033 1.592 30 30 BDEC O=C1C=CC=CC1=CNNC=C1C=CC=CC1=O 2265369632 SPEXYYIULCBQJR-UHFFFAOYSA-N 240.262 1.239 30 30 BDEC COC(=O)c1cc(C)c(C)c(C#N)c1N 39085402 UYJODZSTIVERRC-UHFFFAOYSA-N 204.229 1.544 30 30 BDEC C=C(C)C(=O)OCCOC(=O)NCCCC 5821298 DBONJWHQIKMBHG-UHFFFAOYSA-N 229.276 1.632 30 30 BDEC CSc1nc(-c2ccncc2)nc(N)c1C#N 77444 ZXQGKQNTSHGKJE-UHFFFAOYSA-N 243.295 1.714 30 30 BDEC CCOC(=O)/C(N)=N\Nc1ccc(Cl)cc1 15443912 SDHHJNXBVCVUHS-UHFFFAOYSA-N 241.678 1.587 30 30 BDEC N#Cc1cnc2c(Br)n[nH]c2c1 96321074 DSQGKYGMLIPNJE-UHFFFAOYSA-N 223.033 1.592 30 30 BDEC COC1=C[C@H](OC)CC(OC)=C1/C=N/O 223525102 XYIZUMSWWIAKNC-KEXZDQNZSA-N 213.233 1.296 30 30 BDEC CC(=N)NN(C)c1cccc(F)c1C#N 140416 ALUXNCUKCQZUSF-UHFFFAOYSA-N 206.224 1.635 30 30 BDEC Cc1cc(Br)cnc1N/C=N/O 11535913 FEFDCAUHZLQZJA-UHFFFAOYSA-N 230.065 1.982 30 30 BDEC C1[C@H]2[C@@H]3C[C@H](C[C@H]3OC[C@@H]3CO3)[C@@H]2[C@H]2O[C@@H]12 267326132 HGXWGDPXIFBZIA-WBLZLBDXSA-N 222.284 1.214 30 30 BDEC CC/N=C1\S[C@@H](CC)C(=O)N1CC 197899664 DHBXMOQXBKOXJT-NTQIJVKTSA-N 200.307 1.736 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](N)C3CC3)O[C@]12C 208213930 HBEPQTNQRAKMHD-LARJDALCSA-N 249.163 1.991 30 30 BDEC C#CCN(CCC(=O)O)C(=O)OC(C)(C)C 2265383590 DHDNFAJRUPNRJP-UHFFFAOYSA-N 227.260 1.331 30 30 BDEC C=C1CC[C@]23CCC(=C(C)C[C@H]2O)[C@@]13O 100270514 YNBDNZIQHOLAJQ-AGIUHOORSA-N 206.285 1.929 30 30 BDEC N#Cc1cccc(CNCC2CCNCC2)c1 94010219 XFJZHFDYLHUEAL-UHFFFAOYSA-N 229.327 1.647 30 30 BDEC COc1cc2c(cc1C#N)CCC[C@@H]2N 238397303 NXBZDGUMVDZVNE-NSHDSACASA-N 202.257 1.903 30 30 BDEC Cc1ccc(B2OC(C)(C)C(C)(C)O2)[nH]1 206166385 IYNNUEWXANPBAT-UHFFFAOYSA-N 207.082 1.622 30 30 BDEC CS(=O)(=O)O[C@@H](C1CC1)C(F)(F)F 220589605 BGIDBWBZNUWFGV-YFKPBYRVSA-N 218.196 1.304 30 30 BDEC COC(=O)Cc1cn(C)c2ccc(C#N)cc12 39111086 IHLKIGUVKRCGOZ-UHFFFAOYSA-N 228.251 1.765 30 30 BDEC C[C@@H](CC(=O)O)CC(=O)Nc1cccc(C#N)c1 100906 VNRJOHQSSZYWBV-SECBINFHSA-N 246.266 1.998 30 30 BDEC CCOc1ccc(C(=O)OC)cc1C#N 39099343 QROOLSGRAPIRGK-UHFFFAOYSA-N 205.213 1.744 30 30 BDEC CC1(C)OB(c2cnoc2C2CC2)OC1(C)C 2265381489 OOQRJFYUNIPHKE-UHFFFAOYSA-N 235.092 1.851 30 30 BDEC ON=C1[C@@H]2[C@H]3/C(=N\O)[C@@H]4[C@H]1[C@H]1C[C@@H]4[C@@H]3[C@@H]21 1085283736 SVFZGSIUSSQSRE-XRHJVUSJSA-N 204.229 1.035 30 30 BDEC C[C@@H]1CN(Cc2ccccc2)C[C@H](C#N)O1 407986236 CFPNZEFGACMFGY-YPMHNXCESA-N 216.284 1.799 30 30 BDEC COC(=O)c1cnn(-c2ccccc2)c1/C=N/O 124121 PAFTVLAJVJZKSC-RIYZIHGNSA-N 245.238 1.467 30 30 BDEC C#CC[C@@]1(OC(=O)CC)CCN(C)C[C@@H]1C 39110603 JHUQRNPDXBHQGO-WCQYABFASA-N 223.316 1.673 30 30 BDEC N#Cc1ccc(Cn2cnnc2)c(F)c1 71010522 PBYWZCYUNMWYCR-UHFFFAOYSA-N 202.192 1.337 30 30 BDEC in-vitro N#Cc1ccc(CN2CC[C@H](N)C2)cc1 38538969 FOYCHATVXPUPHY-LBPRGKRZSA-N 201.273 1.091 30 30 BDEC C=C(C)[C@H]1CC=C(C)[C@@](O)(S(=O)(=O)O)C1 223709113 RWPSPKYQAQNDTC-UWVGGRQHSA-N 232.301 1.495 30 30 BDEC COC/C(N)=N/c1cccc([C@@H](C)N)c1C 39110389 PQIMZXGHROTQAI-SECBINFHSA-N 221.304 1.650 30 30 BDEC COc1ccc(/C(C)=N/N=C2NCCCN2)cc1 49942669 ROWXTMJGLPVQPL-MHWRWJLKSA-N 246.314 1.358 30 30 BDEC CCOC(=O)N1CCC/C(=N\O)CC1 223735757 KUINKZROZDQQQK-CSKARUKUSA-N 200.238 1.459 30 30 BDEC C=CCNC(=O)/N=c1/sccn1CC 100208436 XDPNQAKHOJPXQW-PKNBQFBNSA-N 211.290 1.366 30 30 BDEC CN/N=C(/S)NCCC1=CCCCC1 13659131 KGWIEGNMLZERMF-UHFFFAOYSA-N 213.350 1.887 30 30 BDEC CCO[P@@](=O)(O)O[C@@H](C)[C@@H](C)C#N 96336183 HOGRUXGHFCHCAT-BQBZGAKWSA-N 207.166 1.688 30 30 BDEC C=CC[C@@H](O)[C@H](C)O[C@@H]1CCCCO1 39090748 IJOHPDPTHOMBGN-HBNTYKKESA-N 200.278 1.855 30 30 BDEC N#Cc1cc2c(OC[C@H]3CO3)cccc2[nH]1 36438935 WANDYUHWUAJSBK-SECBINFHSA-N 214.224 1.817 30 30 BDEC N#Cc1cccn2c(Br)cnc12 212063303 HCGIIMJPUKYGKZ-UHFFFAOYSA-N 222.045 1.968 30 30 BDEC CC(=O)C(=NNc1c(F)cccc1F)C(C)=O 138650 SPTWBFPLZLEYJA-UHFFFAOYSA-N 240.209 1.911 30 30 BDEC COc1cc(Br)cc(C=NO)c1O 254484761 IRKJWHRHLJBZSX-UHFFFAOYSA-N 246.060 1.971 30 30 BDEC C=C(C)C(=O)OCCOC(=O)OCC 4202608 AFNPEQUYBAVCOU-UHFFFAOYSA-N 202.206 1.279 30 30 BDEC CCOc1cc(ON=C(C)C)nc(C)n1 39099670 XDTBHKXDYCMVOL-UHFFFAOYSA-N 209.249 1.958 30 30 BDEC C/C=C1/CN(C(=O)OC(C)(C)C)CC1=O 1535646143 ZOOXCMFXQRGXKX-YVMONPNESA-N 211.261 1.753 30 30 BDEC CSc1nc(C)nc(N(C)C)c1C#N 132172 KUIJIKNUSBUVRA-UHFFFAOYSA-N 208.290 1.445 30 30 BDEC CC1(C)OB(c2ccc3[nH]cnc3n2)OC1(C)C 307040862 RDLFMYAJXNSTTM-UHFFFAOYSA-N 245.091 1.257 30 30 BDEC COC(=O)[C@]1(C)O[C@]1(C)c1ccccc1 39274969 PVJSAAXPHUIGEY-NEPJUHHUSA-N 206.241 1.864 30 30 BDEC in-vitro CC1=C(C#C[C@H](C)O)C(C)(C)C[C@@H](O)C1 14587987 PJYBCOAMCYWPHQ-QWRGUYRKSA-N 208.301 1.868 30 30 BDEC COc1ccccc1NC(=O)C(=NO)C(C)=O 254796998 DYBHMKMYRGOXDC-UHFFFAOYSA-N 236.227 1.053 30 30 BDEC CC[C@@H](Cc1ccccc1)OS(C)(=O)=O 5923072 VUVAYDCULOJQPR-NSHDSACASA-N 228.313 1.984 30 30 BDEC CON=CC(C#N)=NNc1ccc(OC)cc1 254906740 DDXOVGWJAGTJPT-UHFFFAOYSA-N 232.243 1.619 30 30 BDEC CCc1ncc(CC(=O)OC)cc1CC#N 39102070 BIATVTLGLHQRKF-UHFFFAOYSA-N 218.256 1.426 30 30 BDEC C/C(N)=N\c1c(F)c(F)nc(F)c1F 214462441 ACUUMSAJNXQMAW-UHFFFAOYSA-N 207.130 1.647 30 30 BDEC C#CCOc1cccc(OC(=O)NC)c1 2038500 QEAULWXPIOSTCA-UHFFFAOYSA-N 205.213 1.417 30 30 BDEC CNC(=O)c1cc(C#N)c(SC)s1 125475 RWCPRSCDNQNKSC-UHFFFAOYSA-N 212.299 1.701 30 30 BDEC N#Cc1ncc(Cl)nc1Br 44831786 LCRXVZUADRMZHU-UHFFFAOYSA-N 218.441 1.764 30 30 BDEC COc1cc(/C=N/N)cc(OC)c1OC 66826 ZWCPJPDZBZBJNV-WUXMJOGZSA-N 210.233 1.005 30 30 BDEC C/C(=N\NC(N)=S)c1cc2ccccc2o1 13468640 KAZVUKSTVSELIS-NTUHNPAUSA-N 233.296 1.990 30 30 BDEC CCOC1=CC=CN2C(CC#N)=C(C)N[C@@H]12 100133507 XTWQYBGPIXBTAH-GFCCVEGCSA-N 217.272 1.811 30 30 BDEC CC(=O)c1ccc(N/N=C2/CCCNC2=O)cc1 4389949 PRWUHSYAJOUQEK-VBKFSLOCSA-N 245.282 1.567 30 30 BDEC C[C@@H](C/C(N)=N\O)N(C)C(=O)OC(C)(C)C 63090463 KYBISIYPNCVILR-ZETCQYMHSA-N 231.296 1.378 30 30 BDEC in-vitro C=C(C)C(=O)OCCN1CCO[C@@]1(C)CC 31319894 HNIDDMPZRCDQSQ-LBPRGKRZSA-N 227.304 1.564 30 30 BDEC C#C[C@]1(O)CCC[C@@H]2[C@@H]1CCC[C@@]2(O)C#C 396135864 GVELUNOZGLKLGT-CRWXNKLISA-N 218.296 1.315 30 30 BDEC C[C@H](N)B1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 202564553 AKMVYVLKQCECJH-IMICNGSGSA-N 223.125 1.601 30 30 BDEC N#Cc1cnn(-c2cccc(F)c2C#N)c1N 167145 UXOGAAJJQDAUKR-UHFFFAOYSA-N 227.202 1.337 30 30 BDEC O=C1NCCCCN/C1=C\C(=O)c1ccccc1 8336850 HHOTUFXMFCGHTB-BENRWUELSA-N 244.294 1.253 30 30 BDEC COC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 196207456 UZMWEJFFPHNEBB-YUMQZZPRSA-N 226.081 1.642 30 30 BDEC C=C[C@H]1COCCN1C(=O)OC(C)(C)C 143112156 GBYGIZIERKRSAI-VIFPVBQESA-N 213.277 1.808 30 30 BDEC COCC[C@@H](C=O)NC(=O)OC(C)(C)C 13588594 PGSFVPPKTKWKLJ-QMMMGPOBSA-N 217.265 1.115 30 30 BDEC COc1ccc2c(c1)CCC/C2=N\NC(N)=S 4323922 UYVZDOVUTIYERR-SDNWHVSQSA-N 249.339 1.569 30 30 BDEC N#Cc1ccc2c(CC(=O)O)c[nH]c2c1 11920415 JVTLURJNATXWCQ-UHFFFAOYSA-N 200.197 1.667 30 30 BDEC COC(=O)[C@H]1CC(=NO)c2ccccc21 242592205 OMGZOHFJDXEXSS-VIFPVBQESA-N 205.213 1.525 30 30 BDEC CN(C)C=CC(=O)c1cnc2sccn2c1=O 2265271919 HQAANRMDQOOLOH-UHFFFAOYSA-N 249.295 1.014 30 30 BDEC ON=C1[C@@H]2[C@H]3/C(=N\O)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]35)[C@@H]14 1085283735 SVFZGSIUSSQSRE-MAOFWMLASA-N 204.229 1.035 30 30 BDEC N#Cc1c(Br)ccnc1F 238598787 JLNBAYVZPLFVQM-UHFFFAOYSA-N 200.998 1.855 30 30 BDEC CC1(C)OB(c2ccsn2)OC1(C)C 307612134 KHKOFFCHQUOREZ-UHFFFAOYSA-N 211.095 1.442 30 30 BDEC C#CCNC(=O)Nc1csc([N+](=O)[O-])c1 4323516 LQJYGJJNGPQJGV-UHFFFAOYSA-N 225.229 1.411 30 30 BDEC C#CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CCCCC1 33635133 PZDVIJAXMIWGMM-ZJUUUORDSA-N 235.283 1.159 30 30 BDEC N/C(=N\OC(=O)Nc1ccccc1)c1ccno1 13657208 DAEOIJBSZRAGCG-UHFFFAOYSA-N 246.226 1.544 30 30 BDEC Cc1cccc(N2CCN(CC#N)CC2)c1 19423352 XDCFQCLKYABNNX-UHFFFAOYSA-N 215.300 1.641 30 30 BDEC CC1(C)OB(c2cccc3n[nH]nc23)OC1(C)C 199623337 PDOFSMPDPHUARQ-UHFFFAOYSA-N 245.091 1.257 30 30 BDEC C=CCC[C@H](O)c1c([N+](=O)[O-])cnn1C 216879779 IBSVSHZJDPSKII-QMMMGPOBSA-N 211.221 1.328 30 30 BDEC C=CCOc1ccccc1C(=O)N(C)C 2000308 FIWNTYXJJOOZFV-UHFFFAOYSA-N 205.257 1.953 30 30 BDEC c1cnc2c(c1)-c1cccnc1[C@@]1(CO1)C2 96333905 FWRZHGXFKWGHCP-ZDUSSCGKSA-N 210.236 1.925 30 30 BDEC C#CCOc1ccc(Br)nc1 98210239 NPLUGKBTXANMQS-UHFFFAOYSA-N 212.046 1.856 30 30 BDEC in-vitro C[C@H](C/C(N)=N\O)N(C)C(=O)OC(C)(C)C 63090466 KYBISIYPNCVILR-SSDOTTSWSA-N 231.296 1.378 30 30 BDEC in-vitro C/C(=N\O)c1csc(-c2ccno2)n1 13469677 ZGTFKQDHLLRFOG-VZUCSPMQSA-N 209.230 1.996 30 30 BDEC C=CC[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O 2031106 MHZWCBPOTIWXCV-SNVBAGLBSA-N 244.250 1.462 30 30 BDEC CON=C(C)CCS(=O)(=O)c1ccccc1 309219462 XCASSGSJMWIVLG-UHFFFAOYSA-N 241.312 1.873 30 30 BDEC CS(=O)(=O)OC[C@@H]1CCCC1(F)F 238852503 GIERTUZODWXHMA-LURJTMIESA-N 214.233 1.398 30 30 BDEC C[S@](=O)Cc1cccc(C#N)c1C#N 2265352018 YARHNMPXSORUAM-AWEZNQCLSA-N 204.254 1.308 30 30 BDEC CC(C)Nc1nccc(C#N)c1[N+](=O)[O-] 134179303 WYSBVBYWZTUPKJ-UHFFFAOYSA-N 206.205 1.682 30 30 BDEC N#Cc1c(F)cccc1-n1ccc(N)n1 40516824 LROOBYOVNLTYSQ-UHFFFAOYSA-N 202.192 1.465 30 30 BDEC in-vitro CCCCCCCC[S@@](=O)C[C@@H](O)CO 71788554 RIFTWNDKDOBMLN-NHYWBVRUSA-N 236.377 1.449 30 30 BDEC in-vitro CC(C)(C)OC(=O)N1CC[C@H](C#N)[C@H](N)C1 258274142 PNNOVYVBGQVAIS-RKDXNWHRSA-N 225.292 1.094 30 30 BDEC CCO[C@]12N=C(C)CC[C@@]1(C#N)CCO2 135728648 DPKYVDAYUDDCJY-WDEREUQCSA-N 208.261 1.862 30 30 BDEC CC(C)(C)NS(=O)(=O)c1cncc(C#N)c1 204332433 KGIBGHBZOQVYOD-UHFFFAOYSA-N 239.300 1.030 30 30 BDEC N#CC(C#N)=NNc1ccc(F)cc1F 110934 QYNZSEJWECEINU-UHFFFAOYSA-N 206.155 1.780 30 30 BDEC C#CCOC(=O)Nc1ccccc1[N+](=O)[O-] 4335947 CSRMNQCJVRVSQZ-UHFFFAOYSA-N 220.184 1.777 30 30 BDEC C=CCc1ccc(OS(=O)(=O)O)c(OC)c1 5999166 XWAZTQUZONPJEW-UHFFFAOYSA-N 244.268 1.605 30 30 BDEC in-vitro CN(C)/C=N/c1ccccc1[C@H]1C=NNC1=O 100239543 BTKUDIQHBQWYFJ-SEEODLKFSA-N 230.271 1.107 30 30 BDEC C#Cc1c(C)c(C(=O)O)c(C#C)c(C)c1C(=O)O 2265362128 NNUCWUQPZJSEHB-UHFFFAOYSA-N 242.230 1.662 30 30 BDEC C#CCNC1=NC(=O)[C@@H](c2ccc(Cl)cc2)O1 5112386 JTPSSBRZZQPBKW-SNVBAGLBSA-N 248.669 1.517 30 30 BDEC CN1CN=C(SCc2ccc(C#N)cc2)NC1 144829 MZXYHVBWQQVBHL-UHFFFAOYSA-N 246.339 1.597 30 30 BDEC C=C1COCC(C)(C)[C@@H](OC)[C@H](O)C1 39090732 WOUABXGVEATZIM-ZJUUUORDSA-N 200.278 1.365 30 30 BDEC CON=C[C@H](C#N)[C@H]1OC(=O)c2ccccc21 254706157 WYFRJKLUFWTNAF-GZMMTYOYSA-N 230.223 1.670 30 30 BDEC CC(C)(C)NS(=O)(=O)C1([C@H]2CO2)CCC1 675050823 PBHUKTALFZTRFA-MRVPVSSYSA-N 233.333 1.026 30 30 BDEC CC1(C)COB(c2cc(Cl)ccc2C#N)OC1 196021105 JUJHSJFBHCQGCU-UHFFFAOYSA-N 249.506 1.980 30 30 BDEC CN(C)[C@@H]1CCCN(c2ccc(C#N)c(N)c2)C1 94591155 ZUAZRPHLFATPSY-CYBMUJFWSA-N 244.342 1.671 30 30 BDEC CCN1C(=O)C(=NO)c2cc(C)ccc21 242495182 FYFHKSGPZGOLLV-UHFFFAOYSA-N 204.229 1.540 30 30 BDEC C#Cc1cn(C)nc1CNC(=O)OC(C)(C)C 409434629 ZJPUYDBAXFLTKG-UHFFFAOYSA-N 235.287 1.426 30 30 BDEC COc1ccc(NC(=O)CC=NO)cc1 254902764 DXENBIXJYGZAPE-UHFFFAOYSA-N 208.217 1.484 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](N)C3CC3)O[C@@]12C 396512319 HBEPQTNQRAKMHD-OIRVYTLQSA-N 249.163 1.991 30 30 BDEC CCCCO/C=C/C#CCN1CCOCC1 33984654 WKUZASLJYKAXOR-IZZDOVSWSA-N 223.316 1.652 30 30 BDEC N#Cc1ccc(-c2nnc(N)s2)cc1 19874319 AOEWGJAUPQKSSQ-UHFFFAOYSA-N 202.242 1.659 30 30 BDEC CC(C)(CC=O)NC(=O)OC(C)(C)C 36437231 VNOWIHHJPAJYHL-UHFFFAOYSA-N 201.266 1.879 30 30 BDEC COC(=O)c1ccsc1N=CN(C)C 254296706 KFUNYBLJEOERSZ-UHFFFAOYSA-N 212.274 1.756 30 30 BDEC CCO[P@@](=O)(O)O[C@H](C)[C@@H](C)C#N 96336184 HOGRUXGHFCHCAT-NKWVEPMBSA-N 207.166 1.688 30 30 BDEC CC(C)(C)OC(=O)C#Cc1cccnc1 575432060 ARPYKBRHYYRCJI-UHFFFAOYSA-N 203.241 1.775 30 30 BDEC C/C=C(/C=NO)NC(=O)OC(C)(C)C 383690075 VSENEKNGLZGUEJ-ZRVKZBDCSA-N 200.238 1.875 30 30 BDEC CS(=O)(=O)OCc1cc(F)ccc1Cl 705026254 BOZORZJGGSANNQ-UHFFFAOYSA-N 238.667 1.955 30 30 BDEC N#Cc1cc(N)c(N)cc1Br 306209579 NOGOVJGNLNAETG-UHFFFAOYSA-N 212.050 1.485 30 30 BDEC NN=Cc1cc(Br)ccc1F 254799313 FXVFYOCVDCKCFM-UHFFFAOYSA-N 217.041 1.881 30 30 BDEC C[S@](=O)c1sc(C#N)c2c1C(=O)CCC2 4349696 JJKDSFONVPDGHM-OAHLLOKOSA-N 239.321 1.876 30 30 BDEC COC(=O)c1cc2cc(C#N)ccn2c1 205928120 MQVKPYVPJSEPHN-UHFFFAOYSA-N 200.197 1.598 30 30 BDEC O=C1C=CO[C@]12CCN(Cc1ccccc1)C2 725262430 SAXAPNAXCLUOOD-AWEZNQCLSA-N 229.279 1.744 30 30 BDEC N#Cc1cc(F)cc(C2(C(=O)O)CC2)c1 225419287 JCJZFTAHHQABSB-UHFFFAOYSA-N 205.188 1.814 30 30 BDEC in-vitro CCOC(=O)c1cc(C(=O)/C=C/N(C)C)on1 123770 NVFMNEGRSPLIFY-AATRIKPKSA-N 238.243 1.109 30 30 BDEC CC(=O)O/N=C/c1n[nH]cc1Br 77948 YXNIEBJKLNIXDU-YCRREMRBSA-N 232.037 1.069 30 30 BDEC ON=Cc1ccc(-n2ccnc2)c(F)c1 308550632 VYGDSWUOSFKTKA-UHFFFAOYSA-N 205.192 1.820 30 30 BDEC CCOC(=O)[C@@H]1O[C@H]1c1cccc(C)c1 2265381380 CVOYLKPRJOQIAK-WDEREUQCSA-N 206.241 1.998 30 30 BDEC CC1(C)OB(c2cnn(C3CCC3)n2)OC1(C)C 2265384429 AUQXRRSSKLHEBM-UHFFFAOYSA-N 249.123 1.302 30 30 BDEC O=CCc1c(Cl)nc2ccnn2c1Cl 148289622 XNNJOWRJDXJWSY-UHFFFAOYSA-N 230.054 1.778 30 30 BDEC CC(CS(=O)(=O)c1ccc(Cl)cc1)=NO 254391990 IOPQYVROJUUSHR-UHFFFAOYSA-N 247.703 1.964 30 30 BDEC Cc1ccccc1NC(=O)NC(=O)CC#N 171086 LHCBPYOBAOLTDX-UHFFFAOYSA-N 217.228 1.557 30 30 BDEC CCOC(=O)[C@@H](C#N)c1cccc(C)n1 91369080 GEXNBNJYUPMWDR-VIFPVBQESA-N 204.229 1.560 30 30 BDEC CC(C)/N=C(/S)N/N=C/c1cccnc1 13658755 UCLGWPMERMHFPZ-KPKJPENVSA-N 222.317 1.699 30 30 BDEC O=[N+]([O-])c1cc(/C=N/N2CCOCC2)cs1 143150 RWAPRFBATOYPBH-UXBLZVDNSA-N 241.272 1.322 30 30 BDEC CCOC(=O)c1ccc(OC)c(C#N)c1 146490695 YCWPLXYPNQXYHV-UHFFFAOYSA-N 205.213 1.744 30 30 BDEC CN/C(=N\C(=O)OC(C)(C)C)SC 39093264 FKDGOCSARFVKDO-UHFFFAOYSA-N 204.295 1.860 30 30 BDEC CCB1OC[C@@H]2OC(C)(C)O[C@@H]2CO1 195796822 AWZZGSPWVNKNRZ-OCAPTIKFSA-N 200.043 1.061 30 30 BDEC O=C(O)C1=CN=C2c3ncccc3C=C[C@@H]2C1=O 207880909 YZRSIMPDMZRLJK-QMMMGPOBSA-N 240.218 1.065 30 30 BDEC CSC[C@H](C=O)NC(=O)OC(C)(C)C 39094146 UJTIBUBQPFDIPR-ZETCQYMHSA-N 219.306 1.442 30 30 BDEC CCOC(=O)[C@H](C#N)C(OCC)OCC 95761168 MURYODNHHCIULJ-QMMMGPOBSA-N 215.249 1.088 30 30 BDEC C[C@H](N)B1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 255962382 AKMVYVLKQCECJH-KUNJHIDRSA-N 223.125 1.601 30 30 BDEC CS(=O)(=O)ON=C1CCCc2occc21 382601723 PJARBQLYVQXKGW-UHFFFAOYSA-N 229.257 1.296 30 30 BDEC CC(=O)/C=N/Nc1ccc(C(=O)O)cc1 1764533 TYXALHOQPPWMCT-IZZDOVSWSA-N 206.201 1.372 30 30 BDEC Cc1ccc(S(=O)(=O)/C(C#N)=N/O)cc1 95936 DRSUYPDLWGTIFL-PKNBQFBNSA-N 224.241 1.080 30 30 BDEC CC1=C(C#C[C@@H](C)O)C(C)(C)C[C@@H](O)C1 14587986 PJYBCOAMCYWPHQ-MNOVXSKESA-N 208.301 1.868 30 30 BDEC CN(C)CC#Cc1ccc(/C=N/O)cc1 12367504 KCAYJJSGXZVSAB-JLHYYAGUSA-N 202.257 1.408 30 30 BDEC CCO[C@@H]1CCCC[C@@]1(C#N)OC(C)=O 39099758 PSGIEDBOIWTURE-MNOVXSKESA-N 211.261 1.791 30 30 BDEC O=C1C(=Cc2ccccn2)N2CCC1CC2 2265237906 ZSFXRRSLLOTWGJ-UHFFFAOYSA-N 214.268 1.717 30 30 BDEC CCOC(=O)c1cnc(N=CN(C)C)s1 33708921 TZFNNSZFCMQSGT-UHFFFAOYSA-N 227.289 1.541 30 30 BDEC C=C1SC(NC(=O)OCC)=N[C@@H]1C 39123768 METDHBRKVNVWOH-RXMQYKEDSA-N 200.263 1.738 30 30 BDEC CC1(C)OB(c2cnc3cccn3c2)OC1(C)C 575440742 XRPARTPTBGXILS-UHFFFAOYSA-N 244.103 1.634 30 30 BDEC Cc1nc(C#C[Si](C)(C)C)c(=O)[nH]c1C 2265384647 FGDSFZFRDDCQHK-UHFFFAOYSA-N 220.348 1.616 30 30 BDEC CN(C)/C=C/C(=O)c1ccc2c(c1)CCO2 149975 UXOSRBMQXIABCM-FNORWQNLSA-N 217.268 1.880 30 30 BDEC Cn1cc(Br)n2ncc(C#N)c12 1554770612 LXCHCHJORIFXAV-UHFFFAOYSA-N 225.049 1.307 30 30 BDEC COc1ccc(NC(=S)N=CN(C)C)cc1 254815896 JZDCGMBBTHTISE-UHFFFAOYSA-N 237.328 1.982 30 30 BDEC C=C1[C@H]2C[C@H]2[C@]2(C)C[C@H]3OC(=O)C(C)=C3[C@H](O)[C@@H]12 199054026 URLFHFQLZGCPQX-ZLDQFNNOSA-N 246.306 1.821 30 30 BDEC CCN[C@H]1C=C(C)C(=O)CC(C)(C)[C@@H]1O 39097205 HOXQUVJHQSHSPR-GXSJLCMTSA-N 211.305 1.271 30 30 BDEC COc1cc([N+](=O)[O-])ccc1NC(=O)C=NO 1080994512 CGXLDFKRVWTMLL-UHFFFAOYSA-N 239.187 1.002 30 30 BDEC COC(=O)C(=NNc1ccc(C)cc1C)C(C)=O 254836978 WTAMGWZAHSVEGK-UHFFFAOYSA-N 248.282 1.833 30 30 BDEC N#Cc1ccc(OCC(F)(F)F)cn1 132061224 NHEZOCSLOBKVOY-UHFFFAOYSA-N 202.135 1.894 30 30 BDEC C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=O 34310010 KDDCJBFJUBOMOR-DTWKUNHWSA-N 243.303 1.946 30 30 BDEC CCOC(=O)[C@@H]1O[C@H]1c1ccc(C)cc1 5857703 UMSHXRVBYUKRDF-WDEREUQCSA-N 206.241 1.998 30 30 BDEC CS/C(N)=N/C(N)=N/c1ccc(Cl)cc1 13465942 MJMIMNUXLBXEDI-UHFFFAOYSA-N 242.735 1.964 30 30 BDEC COc1ccc(NC(=O)NC(=O)CC#N)cc1 171229 WRFFBSLTVSQIDA-UHFFFAOYSA-N 233.227 1.257 30 30 BDEC CC[C@H](C=NNO)NC(=O)OC(C)(C)C 382642616 YIVHTVTXHNWQAW-SSDOTTSWSA-N 217.269 1.254 30 30 BDEC C=CCOC(=O)N1CCC(CC(=O)O)CC1 86573226 MPCSNPBPOJATQG-UHFFFAOYSA-N 227.260 1.496 30 30 BDEC N#Cc1cc(CC(=O)O)ccc1Br 238688724 IUFLEHBOMIAXLT-UHFFFAOYSA-N 240.056 1.948 30 30 BDEC N#Cc1ccc(Br)nc1F 307443747 CETYGZBCCHBOAJ-UHFFFAOYSA-N 200.998 1.855 30 30 BDEC CCOC(=O)C[C@@](C)(C#N)C(=O)OCC 95348180 FLPUGHQAPMNTBX-JTQLQIEISA-N 213.233 1.033 30 30 BDEC CC(C)(CO)/N=C(/S)NCc1ccco1 13659197 ZAYMMMBEABZMRV-UHFFFAOYSA-N 228.317 1.426 30 30 BDEC CNC1CCN(Cc2cccc(C#N)c2)CC1 335630355 UAQIXOCWIBOZBY-UHFFFAOYSA-N 229.327 1.742 30 30 BDEC CC1(C)C[C@H](OS(C)(=O)=O)C(C)(C)O1 95942474 PWRULTPFMUEMGM-ZETCQYMHSA-N 222.306 1.309 30 30 BDEC in-vitro CC1(C)OB(c2ccc(C#N)nc2F)OC1(C)C 306460398 CGODDKUVGXUNOA-UHFFFAOYSA-N 248.066 1.392 30 30 BDEC CCOC(=O)/C=N/[S@](=O)C(C)(C)C 39075519 CHPAJOSJONRYPT-PPGNKHEKSA-N 205.279 1.083 30 30 BDEC N#Cc1ccc2ncc(C(N)=O)c(Cl)c2c1 40435172 CHBVWGJIBXOIJZ-UHFFFAOYSA-N 231.642 1.859 30 30 BDEC Cn1cc(C#N)c(N)c1C(=O)OC(C)(C)C 96300532 CMFITGOATMDDIT-UHFFFAOYSA-N 221.260 1.434 30 30 BDEC in-vitro Cn1nc2c(c1B1OC(C)(C)C(C)(C)O1)CCC2 206063991 YSLGXLHRIJTTQV-UHFFFAOYSA-N 248.135 1.208 30 30 BDEC CC1(C)OB(c2ccn3cnnc3c2)OC1(C)C 584906992 BALMHZMUOMCTAO-UHFFFAOYSA-N 245.091 1.029 30 30 BDEC COCCOS(=O)(=O)c1ccccc1 38351045 HAHSSWKSMRLGHG-UHFFFAOYSA-N 216.258 1.038 30 30 BDEC C#C[C@@H](O)c1c(OC)cc(OC)cc1OC 21998481 SWTIFAXMKKYMLJ-SECBINFHSA-N 222.240 1.379 30 30 BDEC C#CCOC[C@H]1CN(c2ccc(C)cc2)C(=O)O1 3615494 QQJPZBXPHGVDQZ-CYBMUJFWSA-N 245.278 1.970 30 30 BDEC CCC(C)(C)N/C(=N\C=O)Nc1cccnc1 13232567 NPPXEXPOHVWMNN-UHFFFAOYSA-N 234.303 1.784 30 30 BDEC Cc1cccc(OC[C@@H](O)/C=[N+](\[O-])C(C)C)c1 195811544 NUEFSMFFEYUZGI-QENILXLESA-N 237.299 1.724 30 30 BDEC C=C(C)C(=O)O[C@]1(CC)CCOC(=O)C1 39101606 LEUGGFPZZFKFPA-LLVKDONJSA-N 212.245 1.592 30 30 BDEC C=CCOc1ncc(Br)cn1 82663877 LIFBZRRILGMXQI-UHFFFAOYSA-N 215.050 1.804 30 30 BDEC CC(C)(C)Nc1ccc(/C(N)=N/O)nc1 95347707 XFEYWIWVWMVWFZ-UHFFFAOYSA-N 208.265 1.387 30 30 BDEC Nc1cc(F)c(N2C=CC(=O)CC2)c(F)c1F 146593728 HWIWLECBOSMZDU-UHFFFAOYSA-N 242.200 1.979 30 30 BDEC CC(=O)N(C(=S)C#N)c1ccccc1 45817701 GTJFAXUTATYNNL-UHFFFAOYSA-N 204.254 1.890 30 30 BDEC O=C1c2ccccc2C(=O)N1[C@@H]1CCC(=NO)C1 310509614 AXDDETXWXIGFAP-SECBINFHSA-N 244.250 1.665 30 30 BDEC C=C(C)Cc1c(C)nc(SC)[nH]c1=O 18101358 HBTHDOYQROJYQL-UHFFFAOYSA-N 210.302 1.919 30 30 BDEC CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1 2579286 MGNXPEPCKZZLQP-UHFFFAOYSA-N 220.184 1.643 30 30 BDEC in-vitro C[C@]1(CO)CS/C(=N\c2cccnc2)N1 74277 JPPHFWOROHJVQR-JTQLQIEISA-N 223.301 1.157 30 30 BDEC N#Cc1nc(Br)cnc1F 2265369647 WYJQJWHOHKMXSS-UHFFFAOYSA-N 201.986 1.250 30 30 BDEC N#CCc1ccc(N2C(=O)C=CC2=O)cc1 12368538 XOEBLHFBXQJJQH-UHFFFAOYSA-N 212.208 1.182 30 30 BDEC N#Cc1ccnc(N2CCSCC2)c1 20230900 MZIANIKUVGCEPB-UHFFFAOYSA-N 205.286 1.506 30 30 BDEC in-vitro C=C(C)C(=O)Nc1ccccc1C(=O)NO 5138180 WAHPLCKQBVMECA-UHFFFAOYSA-N 220.228 1.320 30 30 BDEC C#C[C@@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 225777477 RNMXLCQSOUOFEK-RKDXNWHRSA-N 239.271 1.472 30 30 BDEC N#Cc1cccc(N2CCOCC2)c1C#N 142017 CQNFCICGMSHFJH-UHFFFAOYSA-N 213.240 1.267 30 30 BDEC COc1ccnc(-n2cccc2C=NO)c1C#N 254902397 OSKRZJCPXXGLKR-UHFFFAOYSA-N 242.238 1.561 30 30 BDEC CC1=NN(C)[C@@H](Oc2ccccc2)/C1=N/O 100082579 LSSBYVREACNJMI-CDDSVFCYSA-N 219.244 1.543 30 30 BDEC COc1c(C)cncc1B1OC(C)(C)C(C)(C)O1 307271220 IBNLIIFBNQYDGF-UHFFFAOYSA-N 249.119 1.698 30 30 BDEC CCOC(=O)[C@H](C=O)Cc1ccc(C)nc1 33606261 IIOWETJNAPDAGC-NSHDSACASA-N 221.256 1.311 30 30 BDEC N/C(=N\c1ccccc1)SCC(=O)O 5515327 ZQANCCJPIZSZSI-UHFFFAOYSA-N 210.258 1.451 30 30 BDEC O=C1C=C/C(=N\O)C(Br)=C1 17047097 IOXVFTDDELLSSU-SOFGYWHQSA-N 202.007 1.234 30 30 BDEC CS/C(=N/C#N)Nc1c(C)nn(C)c1C 12340031 QHKRLOGZRXORKQ-UHFFFAOYSA-N 223.305 1.649 30 30 BDEC N#Cc1ccc(-n2ccc(N)n2)c(Cl)c1 62791547 QOWPCJSNRPPGRM-UHFFFAOYSA-N 218.647 1.980 30 30 BDEC in-vitro CCc1ccc(N/N=C/C(=O)CN)cc1 223688460 GUAIZZGIECBCMI-MDWZMJQESA-N 205.261 1.175 30 30 BDEC C#CC[C@@]1(OC(C)=O)CCN(C)C[C@H]1CC 39102425 QPSFQMZFAPJFBD-CHWSQXEVSA-N 223.316 1.673 30 30 BDEC CCOC(=O)c1c(N)sc(C)c1C#N 39084108 CKLHHWMLFSEHHO-UHFFFAOYSA-N 210.258 1.687 30 30 BDEC CC(C)(C)OC(=O)N1CCC(OCC=O)CC1 90669682 PFIYJJZAUDZHIC-UHFFFAOYSA-N 243.303 1.601 30 30 BDEC N#CCC(=O)Nc1ccc(F)c(F)c1F 93252 GELJBVGDEFRBIH-UHFFFAOYSA-N 214.146 1.956 30 30 BDEC N#Cc1cc(F)cc(N2CCNCC2)c1 85633935 ZWIIXAJWAAWFHJ-UHFFFAOYSA-N 205.236 1.107 30 30 BDEC N#Cc1cccc(NC(=O)CN2CCCCC2)c1 150520 VQQHLEJCEMYLIE-UHFFFAOYSA-N 243.310 1.983 30 30 BDEC C#CCOC[C@@H]1CN(c2ccc(C)cc2)C(=O)O1 3615492 QQJPZBXPHGVDQZ-ZDUSSCGKSA-N 245.278 1.970 30 30 BDEC N#Cc1cccc(OC2(C(=O)O)CC2)c1 300752744 KYYFJBXPLAVSLY-UHFFFAOYSA-N 203.197 1.554 30 30 BDEC CC(C)[C@H](NC(=O)OC(C)(C)C)/C(N)=N/O 68583796 FOCOPBKUZMDGDR-ZETCQYMHSA-N 231.296 1.282 30 30 BDEC in-vitro CC(=NNC(N)=S)c1ccc(F)cc1 252447336 JBOMIBNEKCISGH-UHFFFAOYSA-N 211.265 1.383 30 30 BDEC CCOC(=O)CN[C@H](C#N)Cc1ccccc1 95642740 PORIWNWVCVYHMK-LBPRGKRZSA-N 232.283 1.274 30 30 BDEC O=C1C=CO[C@@]12CCN(Cc1ccccc1)C2 725262431 SAXAPNAXCLUOOD-CQSZACIVSA-N 229.279 1.744 30 30 BDEC CN(C)/C=C/C(=O)c1cc(F)cc(F)c1O 140083 QFRUJIKZHSPJTR-ONEGZZNKSA-N 227.210 1.928 30 30 BDEC CCC[C@@H](O)[C@@]1(C)OC(C)=C(O)C1=O 5842639 NOYLNCIBDODDPI-GMSGAONNSA-N 200.234 1.295 30 30 BDEC CC(C)N1CCC2=C(C1)S[C@@](N)(C#N)C2 207722020 YCSIETVFADYPER-LLVKDONJSA-N 223.345 1.670 30 30 BDEC C#C[C@H](CC)C1(OC(C)=O)CCN(C)CC1 39110610 DDFWDARTGLPBIN-GFCCVEGCSA-N 223.316 1.673 30 30 BDEC N#Cc1cccnc1O[C@H]1CC[C@H](N)CC1 299891787 CZMXMRQHXNJAEN-XYPYZODXSA-N 217.272 1.602 30 30 BDEC N/C(=N\O)c1ccc(N2CCCCC2)cc1 19865836 FGUOCBNPFNPIFN-UHFFFAOYSA-N 219.288 1.771 30 30 BDEC in-vitro CC1(C)CCC(OS(C)(=O)=O)CC1 95883647 ZCBGFALSZSLXMP-UHFFFAOYSA-N 206.307 1.931 30 30 BDEC in-vitro Cc1cnncc1B1OC(C)(C)C(C)(C)O1 261508900 YBZWJSWSROUXSU-UHFFFAOYSA-N 220.081 1.084 30 30 BDEC CC(C)(O)C#Cc1ccc(Br)cn1 137858167 DQKLIZHGFUQVIS-UHFFFAOYSA-N 240.100 1.967 30 30 BDEC in-vitro O=C1CCN(Cc2ccccc2)C/C1=C\O 101781013 ZZTDOFAJTMGICD-ZRDIBKRKSA-N 217.268 1.903 30 30 BDEC CCN1CCC(O)(C#Cc2ccccc2)CC1 88469 JAUDIHDLPBJLBV-UHFFFAOYSA-N 229.323 1.885 30 30 BDEC CON=C(C)c1sc2ncnn2c1C 263628798 FRINKJJGPDTYSB-UHFFFAOYSA-N 210.262 1.470 30 30 BDEC CC1=C(O)C(=O)c2c(O)cccc2C1=O 899275 CQDXJBJBEQPBEM-UHFFFAOYSA-N 204.181 1.603 30 30 BDEC biogenic,in-vitro CC[C@H](C)OS(=O)(=O)O[C@@H](C)CC 114580434 KYAMUOMYFJTMPP-YUMQZZPRSA-N 210.295 1.861 30 30 BDEC C#CC[C@]1(OC(=O)CC)CCN(C)C[C@H]1C 396139515 JHUQRNPDXBHQGO-YPMHNXCESA-N 223.316 1.673 30 30 BDEC CON=C[C@H](C#N)[C@@H]1OC(=O)c2ccccc21 254706159 WYFRJKLUFWTNAF-KWQFWETISA-N 230.223 1.670 30 30 BDEC C=CCOc1nc(Cl)nc(OCC=C)n1 5193873 DGBZQPVIQOKMQQ-UHFFFAOYSA-N 227.651 1.655 30 30 BDEC CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C#N 98087739 QAKRZINKSNCLEV-HTQZYQBOSA-N 214.240 1.857 30 30 BDEC CC(C)(C)OC(=O)C#Cc1ccncc1 575432194 NULCGYUGPWFOJV-UHFFFAOYSA-N 203.241 1.775 30 30 BDEC N#Cc1cc(CN)ccc1Br 238676499 DXXXQCCCRHVNCC-UHFFFAOYSA-N 211.062 1.779 30 30 BDEC C#C[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 39093592 ZZYCHWANMWNDOH-RKDXNWHRSA-N 211.261 1.302 30 30 BDEC CC1(C)OB(c2cc(O)cc(C=O)c2)OC1(C)C 206122610 VZTKGBSBKFDQFR-UHFFFAOYSA-N 248.087 1.504 30 30 BDEC CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O 2265324116 GVEZIHKRYBHEFX-GHMZBOCLSA-N 223.272 1.111 30 30 BDEC CCCCOC(=O)CN1CCC(C#N)CC1 61040324 YCRSJYPMBDRMTL-UHFFFAOYSA-N 224.304 1.565 30 30 BDEC in-vitro N#CN/C(=N\C1CCCC1)Nc1cccnc1 26576249 UVQIHZIOZJMHRT-UHFFFAOYSA-N 229.287 1.863 30 30 BDEC CC[C@@]1(c2ccccc2)OC[C@H](C=O)O1 39101137 AANBXGCWVCUGAQ-NWDGAFQWSA-N 206.241 1.864 30 30 BDEC C=CCOC(=O)[C@H]1O[C@H]1c1ccccc1 1695142 GOGSOMHYWHWPJL-QWRGUYRKSA-N 204.225 1.856 30 30 BDEC CN(C)/C=N/c1nnc(C(F)(F)F)s1 4300181 WYQBWEHZOQLHMI-XCVCLJGOSA-N 224.211 1.778 30 30 BDEC C#CCN1C=CC(=O)[C@H](Cc2ccccc2)C1=O 957691091 SNGJBHNLLXPWJD-ZDUSSCGKSA-N 239.274 1.404 30 30 BDEC CNC(=S)N/N=C/c1ccc(N(C)C)cc1 13657971 QUJRUAPPSQNJPM-MDWZMJQESA-N 236.344 1.180 30 30 BDEC Cc1nn(C)c(Br)c1C#N 82583695 RVPDDBMDVIUYEW-UHFFFAOYSA-N 200.039 1.363 30 30 BDEC in-vitro O=[N+]([O-])c1cccnc1N/N=C/c1cccnc1 4363516 IRLLJNHZWKYWRR-RIYZIHGNSA-N 243.226 1.831 30 30 BDEC CC1=NOC(=O)C1=NNc1ccccc1F 396139365 IKMQGVLULVLTHF-UHFFFAOYSA-N 221.191 1.526 30 30 BDEC COc1ccc(OCCCCC(=O)NO)cc1 211555767 XFQXMCSGVBWWGE-UHFFFAOYSA-N 239.271 1.750 30 30 BDEC in-vitro N#CCC(=O)c1cccc2c1OCCO2 36330581 DOTZGDJJMFXCHD-UHFFFAOYSA-N 203.197 1.554 30 30 BDEC in-vitro CCCO[C@H](/C(N)=N/O)c1ccccc1 5648134 MAPKBBPFYZDEQQ-JTQLQIEISA-N 208.261 1.901 30 30 BDEC CC(C)(C)OC(=O)N1CC/C(=N/O)[C@H](F)C1 725239823 DDCRUWCZTZEPRX-BGUMDMQLSA-N 232.255 1.796 30 30 BDEC C#Cc1cccc(-n2nnc(C(C)=O)c2C)c1 140340 WRJRTTZUMLLQSD-UHFFFAOYSA-N 225.251 1.760 30 30 BDEC CC1(C)OB(c2ccc(C=NO)cc2)OC1(C)C 380896335 CSKICNHBCQCNIQ-UHFFFAOYSA-N 247.103 1.794 30 30 BDEC O=C1NCCC/C1=N/Nc1cc(F)ccc1F 4389948 DBVISXPHDJBDID-DHDCSXOGSA-N 239.225 1.643 30 30 BDEC C/N=C(\NC)Nc1ccc(C(=O)O)cc1 34258227 PSVDJHGVJNATDH-UHFFFAOYSA-N 207.233 1.002 30 30 BDEC C=CC[C@H](O)c1c(C)nn(C)c1Cl 87198554 LIBMRBSVGGSBJK-ZETCQYMHSA-N 200.669 1.991 30 30 BDEC CC(=O)/C(=N\O)C(=O)Nc1ccccc1Cl 196068185 ZWZKZCWSPCNDON-UKTHLTGXSA-N 240.646 1.698 30 30 BDEC CS(=O)(=O)OC[C@@H]1CCC(F)(F)C1 216712864 DLQPBMXHHDMBCA-ZCFIWIBFSA-N 214.233 1.398 30 30 BDEC in-vitro CC(C)=N/N=C1\NNC(C)(C)N1N=C(C)C 100272950 AYBVXJBDYSDJKA-UHFFFAOYSA-N 224.312 1.280 30 30 BDEC C[C@@H]([C@H](O)c1ccccc1)N(C)CCC#N 31416262 ANQHQOKTEJIOOQ-AAEUAGOBSA-N 218.300 1.954 30 30 BDEC C=C(C)C(=O)O[C@H](C)C[N+](C)(CC)CC 38632717 HYNNEDVXIRTMTN-LLVKDONJSA-N 214.329 1.981 30 30 BDEC C=CCCCC(=O)N[C@H](C(=O)O)C(C)C 261535387 OJXNSJRNAYHZJI-JTQLQIEISA-N 213.277 1.568 30 30 BDEC C=C[C@]1(C)CC[C@@H]2[C@@H](C)C(=O)NC(=N)N21 33645169 JICZMZVYTMAXGX-SOCHQFKDSA-N 207.277 1.096 30 30 BDEC endogenous,in-man CCOC(=O)c1ccc(N/C=N/O)cc1 95924167 YOSOLMZKLHMYGN-UHFFFAOYSA-N 208.217 1.693 30 30 BDEC CN(C(=O)CC#N)c1ccc(F)cc1F 92069 BUWNJTIUJXVCEJ-UHFFFAOYSA-N 210.183 1.841 30 30 BDEC Cc1ccc(CONC(=O)N=CN(C)C)cc1 254489769 YUTAHEQKSQBAIN-UHFFFAOYSA-N 235.287 1.726 30 30 BDEC CCNC(=O)c1sc(N)c(C#N)c1C 83116864 WHGFEEIURURBAZ-UHFFFAOYSA-N 209.274 1.260 30 30 BDEC CN(C)OC(=O)C(Cl)(Cl)Cl 33867834 RAKDKVOEPXLINH-UHFFFAOYSA-N 206.456 1.376 30 30 BDEC O=S(OCCCF)OCCCF 627276209 DQHAOGZGJLGGOM-UHFFFAOYSA-N 202.222 1.318 30 30 BDEC COC(=O)c1ccn(-c2cccc(C#N)c2)n1 335876249 MDRUUHAJMYEYQG-UHFFFAOYSA-N 227.223 1.531 30 30 BDEC COc1cc(C(=O)/C=C/C(=O)O)ccc1O 33984605 GHZCXWOSHPZAQI-SNAWJCMRSA-N 222.196 1.224 30 30 BDEC C=CCOCC(C)(COCC=C)C(=O)O 238204019 BYZACIIHOFWMKA-UHFFFAOYSA-N 214.261 1.483 30 30 BDEC COc1cccc(NC(=O)/C(=N/O)C(C)=O)c1 101704718 DUUZVROTGBSZBI-JLHYYAGUSA-N 236.227 1.053 30 30 BDEC C=C(C)[C@@H]1CC=C(C)[C@@](O)(S(=O)(=O)O)C1 223709161 RWPSPKYQAQNDTC-ZJUUUORDSA-N 232.301 1.495 30 30 BDEC Cc1cc2ncc(C(=O)/C=C/N(C)C)c(C)n2n1 96038 WSUVFPAOOPVIJY-AATRIKPKSA-N 244.298 1.604 30 30 BDEC COC(=O)COc1ccc(C(C)=NO)cc1 242548411 LJNILCOUYGLIOE-UHFFFAOYSA-N 223.228 1.437 30 30 BDEC C[C@H](CN)CC(C)(C)CCNCCC#N 6020399 CXXHKLBKHPAMQM-NSHDSACASA-N 211.353 1.891 30 30 BDEC CON=CCC(=O)Nc1ccc(F)cc1 254506237 QKEGANLGAJLDOT-UHFFFAOYSA-N 210.208 1.787 30 30 BDEC O=S1(=O)O[C@@](F)(Cl)[C@]1(F)Cl 144699829 KWRQXDXVZPBVQK-JCYAYHJZSA-N 212.988 1.071 30 30 BDEC C=C(C)C(=O)NC(CC(C)C)NC(=O)C(=C)C 5360315 WMCQRSRSFMERMW-UHFFFAOYSA-N 238.331 1.743 30 30 BDEC N#Cc1cccc(-c2n[nH]cc2C(=O)O)c1 69637401 CXZRWTJDPNRURD-UHFFFAOYSA-N 213.196 1.647 30 30 BDEC C=CC[C@@H](O)[C@H](C)O[C@H]1CCCCO1 39090751 IJOHPDPTHOMBGN-AXFHLTTASA-N 200.278 1.855 30 30 BDEC N#Cc1c(-c2cccc(O)c2)c[nH]c1/N=C\N 90587438 SLQSTHIRPGOYKO-UHFFFAOYSA-N 226.239 1.877 30 30 BDEC Cc1cccc(Cl)c1/C=N/NC(N)=S 106745 IXKVLXCXKZQRSM-LFYBBSHMSA-N 227.720 1.816 30 30 BDEC C[C@@H](CNCCC#N)CC(C)(C)CCN 6036139 KMSHUCQEMCGTFX-LLVKDONJSA-N 211.353 1.891 30 30 BDEC N#Cc1ccc(C(=S)N2CCOCC2)cc1 133117 WWKKQGHDWDVGMG-UHFFFAOYSA-N 232.308 1.566 30 30 BDEC CCOC(=O)[C@@H](C#N)CCc1cccnc1 136063671 SQLATHLCIOXLDN-LLVKDONJSA-N 218.256 1.717 30 30 BDEC C[C@H](N)B1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 255962384 AKMVYVLKQCECJH-YXZBHFDYSA-N 223.125 1.601 30 30 BDEC CC(C)(C)OC(=O)Nc1cc(C#N)on1 257940664 DBBAORSTNSIMEQ-UHFFFAOYSA-N 209.205 1.893 30 30 BDEC CCOC(=O)C(=O)/C=C(\O)C(F)(F)F 687797304 VOBLMMYJXAEIMM-HYXAFXHYSA-N 212.123 1.123 30 30 BDEC C=CCNC(=O)c1cc(N)ccc1OCC=C 3627181 HHIFWYWJNCLVIN-UHFFFAOYSA-N 232.283 1.749 30 30 BDEC COc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1 4389483 COLXIZNKGPZCLV-UHFFFAOYSA-N 245.198 1.418 30 30 BDEC CC(=O)C(=CNc1cc(C)on1)C(C)=O 90922 WMRITWCABUYNCB-UHFFFAOYSA-N 208.217 1.457 30 30 BDEC C=CCOCCOCCOCCN=[N+]=[N-] 238079984 JIFBHCZEBFFCTA-UHFFFAOYSA-N 215.253 1.533 30 30 BDEC C=CC(=O)c1onc(CC)c1C(=O)OC 39101389 SCORWQJHGNLPJS-UHFFFAOYSA-N 209.201 1.392 30 30 BDEC CCOC(=O)C(CN1CCCCC1)=NOC 309171580 PKRAGYOYWDSBIX-UHFFFAOYSA-N 228.292 1.038 30 30 BDEC O=C1C=CC(=O)C(Oc2ccccc2)=C1 1701722 YKYILJANBFCBQH-UHFFFAOYSA-N 200.193 1.657 30 30 BDEC N#Cc1ccoc1I 691652452 NLHGGGRPKFRUTP-UHFFFAOYSA-N 218.981 1.756 30 30 BDEC CC(=O)c1nnn(-c2ccccc2C#N)c1C 138826 CJPPYBZPCVOUQA-UHFFFAOYSA-N 226.239 1.650 30 30 BDEC Cc1cccc(/C=C/C(=O)N=C(N)N)c1C 38363864 WYZGHFCGQGCOPZ-VOTSOKGWSA-N 217.272 1.117 30 30 BDEC CNc1ncc(C(=O)CC=NOC)s1 254826723 KXYNBLFIEGVDCB-UHFFFAOYSA-N 213.262 1.390 30 30 BDEC C=CC[C@H](O)[C@H](C)O[C@H]1CCCCO1 39090752 IJOHPDPTHOMBGN-DCAQKATOSA-N 200.278 1.855 30 30 BDEC COc1ccc(OC)c(C(=O)/C(C)=N/O)c1 111901919 CLMOUULSNFEJKR-KPKJPENVSA-N 223.228 1.737 30 30 BDEC N#C/C(=N\O)S(=O)(=O)c1ccc(Cl)cc1 95532 HJVLCJDWUSCNDF-DHZHZOJOSA-N 244.659 1.425 30 30 BDEC CC=CCC=CCCC(=O)[C@@H]1O[C@@H]1C(N)=O 2265324117 GVEZIHKRYBHEFX-QWRGUYRKSA-N 223.272 1.111 30 30 BDEC CON=C(C)C1=C(O)CC(C)(C)OC1=O 255969275 DIZYIRIHJJTVDY-UHFFFAOYSA-N 213.233 1.546 30 30 BDEC C=CC[C@@H](O)c1c(C)nn(C)c1Cl 87198552 LIBMRBSVGGSBJK-SSDOTTSWSA-N 200.669 1.991 30 30 BDEC C=C1C(=O)O/C2=C(C)/C=C\C=C3C[C@@H](OC3=O)[C@@H]12 2265381424 RYUUFEXRRMTGBH-SEOBCPRQSA-N 244.246 1.801 30 30 BDEC N#Cc1ccccc1N1CCC[C@@H](N)C1 41030136 ARHNNFGUPRUJAY-LLVKDONJSA-N 201.273 1.486 30 30 BDEC in-vitro CN(CC(=O)O)c1ccc(Cl)cc1C#N 52856168 WOXLXDQQQWNWKT-UHFFFAOYSA-N 224.647 1.732 30 30 BDEC CCOC(=O)COc1ccc(C(=O)O)cc1C#N 514272566 KSFJEAVEIAOVQF-UHFFFAOYSA-N 249.222 1.198 30 30 BDEC CCOc1ccc2c(c1)C(=O)/C(=N/O)C2 137076707 VWRMQDFUYAOHHZ-ZRDIBKRKSA-N 205.213 1.654 30 30 BDEC CC[C@H](C)OS(=O)(=O)O[C@H](C)CC 114580433 KYAMUOMYFJTMPP-OCAPTIKFSA-N 210.295 1.861 30 30 BDEC COC(CNc1cccc(F)c1C#N)OC 141491 MZWANCRVZCHYEO-UHFFFAOYSA-N 224.235 1.728 30 30 BDEC O=S1(=O)O[C@](F)(Cl)[C@@]1(F)Cl 144700442 KWRQXDXVZPBVQK-LWMBPPNESA-N 212.988 1.071 30 30 BDEC CC1(C)OB(c2cccc(N)c2C#N)OC1(C)C 687770777 AKNATMCFHAZHIB-UHFFFAOYSA-N 244.103 1.440 30 30 BDEC CCc1ccc(CNC(=O)CC#N)cc1 39100798 JUCYTDDCUFEDEK-UHFFFAOYSA-N 202.257 1.779 30 30 BDEC CS(=O)(=O)Nc1ccc2[nH]cc(C#N)c2c1 114877 YLRSUTINSRJLKY-UHFFFAOYSA-N 235.268 1.411 30 30 BDEC CCOC(=O)[C@H](C=O)Oc1ccccc1 1604831 NDPVACVAKRDXMA-JTQLQIEISA-N 208.213 1.196 30 30 BDEC C=CCOC(=O)Nc1ccc(CO)cc1 82878877 UWMJWQBNJULCJG-UHFFFAOYSA-N 207.229 1.913 30 30 BDEC C(C#Cc1ccncc1)#Cc1ccncc1 5332425 BKRBETINLDNENR-UHFFFAOYSA-N 204.232 1.880 30 30 BDEC C#CCN(CC(N)=O)[C@H](C)c1ccccc1 268133206 CXRKYNSIZATTGC-LLVKDONJSA-N 216.284 1.168 30 30 BDEC O=c1[nH]cc(-c2ccccc2)c(=O)n1CCS 32223736 MEKGSNDOQQKEHK-UHFFFAOYSA-N 248.307 1.133 30 30 BDEC CCON=CC(=O)Nc1ccc(F)cc1F 254765953 SHWRWECLGBPUTF-UHFFFAOYSA-N 228.198 1.926 30 30 BDEC CCC(=O)C(=O)ONc1ccc(N)cc1 585668887 UQIOBBXXEVZXAE-UHFFFAOYSA-N 208.217 1.118 30 30 BDEC CN(C)C=NC(=O)c1ccc(-n2ccnc2)cc1 2265276278 LHDHUNJWDQJWBU-UHFFFAOYSA-N 242.282 1.602 30 30 BDEC C=CCOC(=O)N1CCC[C@]2(CCNC2)C1 396997968 JKBSMNRMUNQSER-GFCCVEGCSA-N 224.304 1.385 30 30 BDEC C1[C@@H]2O[C@H]2[C@H]2[C@@H]1[C@@H]1C[C@@H]2C[C@H]1OC[C@@H]1CO1 267326121 HGXWGDPXIFBZIA-HPNCJVIQSA-N 222.284 1.214 30 30 BDEC CCO[C@@]12N=C(C)CC[C@]1(C#N)CCO2 135728764 DPKYVDAYUDDCJY-MNOVXSKESA-N 208.261 1.862 30 30 BDEC N/C(=N/O)c1cscc1Br 306472158 COIWZBYBUMKHKS-UHFFFAOYSA-N 221.079 1.605 30 30 BDEC N#Cc1ccc(CN2CC[C@@H](N)C2)cc1 38538967 FOYCHATVXPUPHY-GFCCVEGCSA-N 201.273 1.091 30 30 BDEC CNCB1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 380656790 UGAWCTKVAYZCRM-FYLLDIAZSA-N 223.125 1.473 30 30 BDEC CS(=O)(=O)O[C@H](C1CC1)C(F)(F)F 220589683 BGIDBWBZNUWFGV-RXMQYKEDSA-N 218.196 1.304 30 30 BDEC C=CC[C@H](O)[C@H](C)O[C@@H]1CCCCO1 39090750 IJOHPDPTHOMBGN-GARJFASQSA-N 200.278 1.855 30 30 BDEC N#Cc1cn(-c2ccccc2Cl)nc1N 142914 ZNBZGBZADWUYDD-UHFFFAOYSA-N 218.647 1.980 30 30 BDEC CS(=O)(=O)c1ccc(C2(C#N)CC2)cc1 84494709 AIEWYOXURZDKFU-UHFFFAOYSA-N 221.281 1.645 30 30 BDEC CCN(CC)CCN(CCS)CCS 19370122 SQCRCKFOMCLOGC-UHFFFAOYSA-N 236.450 1.490 30 30 BDEC C#CCOc1ccc(C=NO)cc1OC 254577213 LQQXSNYNYDDMPS-UHFFFAOYSA-N 205.213 1.515 30 30 BDEC SCCNC[C@H]1CC[C@H]1CNCCS 5191315 VHIMWKYVYLKRKR-AOOOYVTPSA-N 234.434 1.051 30 30 BDEC C[C@H](Oc1ccc(C#N)cc1)C(=O)C=CN(C)C 2265269884 ACLQWJMVPLTPKF-NSHDSACASA-N 244.294 1.970 30 30 BDEC C=CCn1ccnc1C(=O)C(F)(F)F 238553414 PTUFTPSQIMPMNJ-UHFFFAOYSA-N 204.151 1.814 30 30 BDEC CCc1cccc(CC)c1NC(=O)N=C(N)N 33825526 MYVDJXHDWWTODJ-UHFFFAOYSA-N 234.303 1.617 30 30 BDEC CC(C)(C)OC(=O)N[C@H](/C(N)=N/O)C1CC1 68583804 MIQKGBPSRXWZHV-ZETCQYMHSA-N 229.280 1.036 30 30 BDEC in-vitro Cc1cc(-c2cccc(C#N)c2)nc(N)n1 69637465 FLBMQEHVRKOQTR-UHFFFAOYSA-N 210.240 1.906 30 30 BDEC Cc1cc(C#N)c(C#N)c(Br)n1 39140328 HAECOFXEFSYOEQ-UHFFFAOYSA-N 222.045 1.896 30 30 BDEC CSc1nc(-c2cccnc2)nc(N)c1C#N 77440 MRXLGTNDUWHYHL-UHFFFAOYSA-N 243.295 1.714 30 30 BDEC C/C(=N\NC1=NCCN1)c1ccc(Cl)cc1 4323705 CYSLUAJSODAFTP-OVCLIPMQSA-N 236.706 1.613 30 30 BDEC C=C(C(=O)OC)[C@@H](O)c1ccc([N+](=O)[O-])cc1 19835967 QMALDNNWRVBOJW-SNVBAGLBSA-N 237.211 1.357 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@@H](C#N)[C@H](N)C1 258274137 PNNOVYVBGQVAIS-DTWKUNHWSA-N 225.292 1.094 30 30 BDEC C[C@@H](Oc1ccc(C#N)cc1)C(=O)C=CN(C)C 2265269883 ACLQWJMVPLTPKF-LLVKDONJSA-N 244.294 1.970 30 30 BDEC C=CC[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1 307597205 NIJUVWOOJQTXTQ-GFCCVEGCSA-N 226.320 1.901 30 30 BDEC Cc1ccccc1CN1CCO[C@H](C#N)C1 106311796 OBFGLZJBVNPRQH-CYBMUJFWSA-N 216.284 1.719 30 30 BDEC COC(=O)/C(=N\C(C)=O)c1ccccc1Cl 694934755 RYURHPJAFVPPPB-RAXLEYEMSA-N 239.658 1.849 30 30 BDEC CO/C(N)=N/C(=S)Nc1ccc(F)cc1F 4394810 OITVDMANKHNNMX-UHFFFAOYSA-N 245.254 1.623 30 30 BDEC CCNc1sc(C(=O)OC)c(N)c1C#N 143703 QPHVYXHVRRSXDS-UHFFFAOYSA-N 225.273 1.420 30 30 BDEC CC(=Nc1cc(C)n[nH]1)[C@H]1CCOC1=O 254704838 JAPVQIZRYDYWMZ-MRVPVSSYSA-N 207.233 1.374 30 30 BDEC COc1cccc(CC2=C[C@@H](O)CC2=O)c1 205915466 XDDBMMQWDBJKDS-LLVKDONJSA-N 218.252 1.498 30 30 BDEC C=CCOC(=O)[C@@H]1O[C@H]1c1ccccc1 1695141 GOGSOMHYWHWPJL-WDEREUQCSA-N 204.225 1.856 30 30 BDEC O=S1(=O)O[C@@](F)(Cl)[C@@]1(F)Cl 144700249 KWRQXDXVZPBVQK-NCGGTJAESA-N 212.988 1.071 30 30 BDEC N[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/O 20518190 LBMAEBPZXXNKMZ-VIFPVBQESA-N 219.244 1.383 30 30 BDEC in-vitro,metabolite N#Cc1nccnc1-c1ccc(CO)cc1 79387276 GQFFRPWLNGRROC-UHFFFAOYSA-N 211.224 1.508 30 30 BDEC CCOC(=O)[C@H](C#N)c1cccc(C)n1 91369082 GEXNBNJYUPMWDR-SECBINFHSA-N 204.229 1.560 30 30 BDEC CCOC(=O)[C@H]1O[C@H]1c1ccc(C)cc1 5857058 UMSHXRVBYUKRDF-QWRGUYRKSA-N 206.241 1.998 30 30 BDEC C=C(C(=O)OC)[C@@H](O)c1ccc(C)cc1 19836270 HCEAAUGYFOIOEH-LLVKDONJSA-N 206.241 1.758 30 30 BDEC N#CC[C@@]1(O)CCN(Cc2ccccc2)C1 259297126 BMCAXKPTGPKPDV-CYBMUJFWSA-N 216.284 1.537 30 30 BDEC NC(=NO)c1ccc(C(F)(F)F)s1 675050367 RJSQUQPTBZJLKD-UHFFFAOYSA-N 210.180 1.861 30 30 BDEC C[C@@H](O)C#Cc1ccc(Br)cn1 117964106 PZBQJYKAIXCGAO-SSDOTTSWSA-N 226.073 1.576 30 30 BDEC C=C[C@@H]1COCCN1C(=O)OC(C)(C)C 143112363 GBYGIZIERKRSAI-SECBINFHSA-N 213.277 1.808 30 30 BDEC C#C[C@]1(O)CCC[C@@H]2[C@H]1CCC[C@]2(O)C#C 396135870 GVELUNOZGLKLGT-SYQHCUMBSA-N 218.296 1.315 30 30 BDEC C[C@@](N)(C#N)COc1ccc(Cl)cc1 138383325 YRNSYBQFQLRCIC-SNVBAGLBSA-N 210.664 1.960 30 30 BDEC C=CC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1 306971249 RWVLQUMDJJEKPD-UHFFFAOYSA-N 241.287 1.884 30 30 BDEC CCCN1C(=NC#N)CC[C@H]1CC(=O)O 308706106 KCOJDKVSQPUYKY-QMMMGPOBSA-N 209.249 1.215 30 30 BDEC C=CCC1(N)CN(C(=O)OC(C)(C)C)C1 238144052 ONYGUFNTZBMUHU-UHFFFAOYSA-N 212.293 1.511 30 30 BDEC CN(C)N/C(=N\O)c1c(F)cccc1Cl 4709977 XSJHRDUQXUYPKX-UHFFFAOYSA-N 231.658 1.681 30 30 BDEC CC(=NO)[C@H]1CN(Cc2ccccc2)CCO1 242718257 XHJCYRIQWZMLHM-CYBMUJFWSA-N 234.299 1.738 30 30 BDEC C#CCOP(=O)(OCC)OCC#C 44710309 GUICUMLKEBGGLD-UHFFFAOYSA-N 202.146 1.431 30 30 BDEC c1cnc2c(c1)-c1cccnc1[C@]1(CO1)C2 96333903 FWRZHGXFKWGHCP-CYBMUJFWSA-N 210.236 1.925 30 30 BDEC CC(=O)/C(=N\O)C(=O)Nc1ccc(C)cc1 299803226 BHYZSCAXDIHHSG-JLHYYAGUSA-N 220.228 1.353 30 30 BDEC C=C(C(=O)OC)[C@H](O)c1ccc(F)c(F)c1 19835299 KISCTUFLCNKUOR-JTQLQIEISA-N 228.194 1.727 30 30 BDEC in-vitro CCOCn1c(Br)cnc1/C=N/O 95642761 IZBRUPGRAZYLDC-ONNFQVAWSA-N 248.080 1.448 30 30 BDEC CN(C)/C=C/C(=O)c1ccc(C#N)s1 126403 OLVUNFOIDKOQMJ-AATRIKPKSA-N 206.270 1.878 30 30 BDEC C#C[C@@H](CC)C1(OC(C)=O)CCN(C)CC1 39110611 DDFWDARTGLPBIN-LBPRGKRZSA-N 223.316 1.673 30 30 BDEC CC(C)(C)NC(=S)N/N=C/c1ccco1 113215 KIZAUESNEZHYEJ-YRNVUSSQSA-N 225.317 1.876 30 30 BDEC CN(C)/C=N/C(=O)c1ccnc(Cl)c1 38313092 FXAASFXKBOHNBK-WUXMJOGZSA-N 211.652 1.465 30 30 BDEC CC(=O)C(=NO)C(=O)Nc1ccc(C)cc1C 254319013 SMGXMOJSLVDNFW-UHFFFAOYSA-N 234.255 1.661 30 30 BDEC SCCn1cc(Br)cn1 87093648 OSVNNXUAMJKWOX-UHFFFAOYSA-N 207.096 1.575 30 30 BDEC CC(C)(C)OC(=O)NC[C@H]1C=CC(=O)C1 2265384894 FHGOJMBGJCQOGY-QMMMGPOBSA-N 211.261 1.656 30 30 BDEC CCCC[C@]1(OCC)OC(=O)[C@@H]2O[C@@H]21 38812216 WDSQENYPAVIBJT-WEDXCCLWSA-N 200.234 1.234 30 30 BDEC CCOC(=O)C#Cc1ccccc1OC 95629852 UBCAJFXTYQISOG-UHFFFAOYSA-N 204.225 1.610 30 30 BDEC C=C(C)C(=O)NCCNC(=O)OC(C)(C)C 149102462 MUFIBEGYHVQNIM-UHFFFAOYSA-N 228.292 1.203 30 30 BDEC CC1(C)C[C@@H](OS(C)(=O)=O)C(C)(C)O1 95942475 PWRULTPFMUEMGM-SSDOTTSWSA-N 222.306 1.309 30 30 BDEC in-vitro CS(=O)(=O)OCc1ccc([N+](=O)[O-])cc1 117236207 QZIYKAFPHRTIAI-UHFFFAOYSA-N 231.229 1.071 30 30 BDEC in-vitro CCCCCCCC[S@](=O)C[C@H](O)CO 71788553 RIFTWNDKDOBMLN-IAQYHMDHSA-N 236.377 1.449 30 30 BDEC in-vitro CN(C(=O)OC(C)(C)C)C(C)(C)C=O 88613754 JUJWZUXFWXFHJZ-UHFFFAOYSA-N 201.266 1.831 30 30 BDEC in-vitro CC(=O)O/N=C/c1ccc2c(c1)CCO2 168443 KIDSCIWDJHCQOE-KPKJPENVSA-N 205.213 1.519 30 30 BDEC Cc1ccc2oc(=O)n(CCC#N)c2c1 4332794 SMEIRMJGFOAEEX-UHFFFAOYSA-N 202.213 1.817 30 30 BDEC O=C1CS/C(=C/C(=O)c2cccs2)N1 3170187 SUPDPQSOAWHWPL-RUDMXATFSA-N 225.294 1.635 30 30 BDEC Cn1ncc(I)c1CC#N 694766105 PAANSGDOZCXIGZ-UHFFFAOYSA-N 247.039 1.091 30 30 BDEC C[C@@H]1CO[C@@H](C#N)CN1Cc1ccccc1 307705486 VRTSOOQJIPJZTJ-YPMHNXCESA-N 216.284 1.799 30 30 BDEC CSC(=N)NN=Cc1ccc2c(c1)OCO2 3107906 IXDXBXANPHFKBD-UHFFFAOYSA-N 237.284 1.637 30 30 BDEC CO[C@@H]1OCCC2=C1C(=O)c1ccccc1C2=O 44138666 IEJHZUJTFKTQGN-CQSZACIVSA-N 244.246 1.755 30 30 BDEC Cc1cc(C(=O)O/N=C/c2ccccc2)nn1C 118827 ITZYMXRQYONIPG-NTEUORMPSA-N 243.266 1.919 30 30 BDEC CCOC(=O)C#Cc1ccccc1[N+](=O)[O-] 1602070 UHOVFSCTEQZZMV-UHFFFAOYSA-N 219.196 1.509 30 30 BDEC CCC#CC[C@@]1(C(=O)OC)CCCC1=O 5767934 HYEFLBYVQZARSG-GFCCVEGCSA-N 208.257 1.702 30 30 BDEC COCC(=O)Nc1ccc(/N=C(/C)N(C)C)cc1 100375414 MKFMTNNOZQXQBP-UVTDQMKNSA-N 249.314 1.883 30 30 BDEC in-man CCNc1nc(NC(C)(C)C#N)nc(OC)n1 5650470 SHANRXMTBMPTMY-UHFFFAOYSA-N 236.279 1.026 30 30 BDEC biogenic CC(C)[C@@H](NC(=O)OC(C)(C)C)/C(N)=N/O 68583799 FOCOPBKUZMDGDR-SSDOTTSWSA-N 231.296 1.282 30 30 BDEC in-vitro N#Cc1ccc(-n2ccc(N)n2)c(F)c1 40516819 SBZRFFWYYVKJLP-UHFFFAOYSA-N 202.192 1.465 30 30 BDEC in-vitro CCOC(=O)[C@@H](C#N)c1ccccc1C#N 75623482 RZCYXJJZVNFIHF-NSHDSACASA-N 214.224 1.729 30 30 BDEC in-vitro C=CCOC(=O)c1ccc(OC)c(N)c1 39087030 PIWKUUSTDMPIQC-UHFFFAOYSA-N 207.229 1.620 30 30 BDEC CC(C)N(/C(N)=N/C#N)c1cccnc1 201212915 UFZJMJYBXHZWIC-UHFFFAOYSA-N 203.249 1.092 30 30 BDEC CCN[C@@H]1C=C(C)C(=O)CC(C)(C)[C@@H]1O 39097203 HOXQUVJHQSHSPR-MWLCHTKSSA-N 211.305 1.271 30 30 BDEC N#Cc1cccc(-c2nnc(N)s2)c1 19874331 TYRYVLVGADZWQB-UHFFFAOYSA-N 202.242 1.659 30 30 BDEC N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)O)c1 61447075 ZLNDUOFDNMCDSU-NSHDSACASA-N 244.250 1.134 30 30 BDEC COC1=C[C@@H](OC)CC(OC)=C1/C=N/O 223525148 XYIZUMSWWIAKNC-PKTIUJEHSA-N 213.233 1.296 30 30 BDEC C=C(C)[C@H]1CC=C(C)[C@](O)(S(=O)(=O)O)C1 223708999 RWPSPKYQAQNDTC-VHSXEESVSA-N 232.301 1.495 30 30 BDEC C1[C@@H]2O[C@@H]2[C@H]2[C@@H]1[C@@H]1C[C@@H]2C[C@H]1OC[C@@H]1CO1 267326128 HGXWGDPXIFBZIA-OVMYTWKTSA-N 222.284 1.214 30 30 BDEC N#CCON=CC(=O)Nc1ccc(F)cc1F 254812633 PUHYFEHGIKZHPQ-UHFFFAOYSA-N 239.181 1.429 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB(CN)O[C@@]12C 255974449 GMWJKKPSKPSEBE-UYAYMFIHSA-N 209.098 1.213 30 30 BDEC CON=C1CC(C)(C)Cc2[nH]c(=N)sc21 382167696 VIZUPJLQECPLFP-UHFFFAOYSA-N 225.317 1.879 30 30 BDEC CN(C)N=C1CCS(=O)(=O)c2sccc21 254758362 KLLSAZKFESVSLR-UHFFFAOYSA-N 244.341 1.191 30 30 BDEC CCN(C(=O)NCC=O)c1ccc(O)cc1 514269319 BMIBVFHMDMDYDA-UHFFFAOYSA-N 222.244 1.127 30 30 BDEC N#CC1(c2cccc(C(=O)O)c2)CCOCC1 90411581 WBJZPJRQCLHHPM-UHFFFAOYSA-N 231.251 1.957 30 30 BDEC N#CC(C#N)c1ccc(Br)cn1 205013305 VFTDUVQHWCLDTO-UHFFFAOYSA-N 222.045 1.975 30 30 BDEC N#C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 82158923 QPSJIQOAWUFZJA-GFCCVEGCSA-N 246.266 1.548 30 30 BDEC in-vitro COc1cc(CC(=O)O)c(F)cc1C#N 72233112 OTPIEKPODLKZDW-UHFFFAOYSA-N 209.176 1.333 30 30 BDEC CCOC(=O)c1cncc(C#CC(C)(C)O)c1 170103 FRMOJEIUPLKZRS-UHFFFAOYSA-N 233.267 1.381 30 30 BDEC N#Cc1cccc(CN)c1Br 238683792 CNQYEOXWLBDLGE-UHFFFAOYSA-N 211.062 1.779 30 30 BDEC CN(C)/C=N/c1nonc1-c1ccccc1 18189976 SYGAKUPMRSGIIO-XYOKQWHBSA-N 216.244 1.958 30 30 BDEC C=C(C)Cc1c(COC)nc(SC)[nH]c1=O 18189063 GUZUJCCJBYILOF-UHFFFAOYSA-N 240.328 1.757 30 30 BDEC CC(C)(C)OC(=O)NC[C@@H]1C=CC(=O)C1 2265384893 FHGOJMBGJCQOGY-MRVPVSSYSA-N 211.261 1.656 30 30 BDEC C=CCOC(=O)N1CCC[C@@]2(CCNC2)C1 396997969 JKBSMNRMUNQSER-LBPRGKRZSA-N 224.304 1.385 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](N)C3CC3)O[C@@]12C 396512315 HBEPQTNQRAKMHD-DKKFBCOVSA-N 249.163 1.991 30 30 BDEC CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)[nH]1 306545821 WDGOLHANVAEMRD-UHFFFAOYSA-N 235.092 1.517 30 30 BDEC CCOC(=O)[C@@H](C#N)C(OCC)OCC 95761169 MURYODNHHCIULJ-MRVPVSSYSA-N 215.249 1.088 30 30 BDEC CCCN1C(=NC#N)CC[C@@H]1CC(=O)O 308706104 KCOJDKVSQPUYKY-MRVPVSSYSA-N 209.249 1.215 30 30 BDEC C[N+]12CCC(c3ccccc3)(CC1)C(=O)C2 2020496 UCKSYFRXTAWSPV-UHFFFAOYSA-N 216.304 1.748 30 30 BDEC in-man CC(C)(C)OC(=O)N1CCC[C@H]1C#CC(=O)O 307760710 WQDZHZALQWGGPL-VIFPVBQESA-N 239.271 1.474 30 30 BDEC N#C/C(=N\Nc1ccc(Cl)cc1)C(N)=S 13113973 RBXSHTPRUGKWLA-RIYZIHGNSA-N 238.703 1.918 30 30 BDEC CC(C)(CCOS(C)(=O)=O)C(F)(F)F 950757573 WKHCFHWXXXWLKV-UHFFFAOYSA-N 234.239 1.941 30 30 BDEC C=CCCNS(=O)(=O)c1ccc(C)cc1 36467649 RCKDLNPOJFRDOH-UHFFFAOYSA-N 225.313 1.849 30 30 BDEC COc1ccnc(N=CN(C)C)c1C#N 254288375 GYPPGBCYEMWKMB-UHFFFAOYSA-N 204.233 1.183 30 30 BDEC CC1(C)OB(C2(C3CC3)CNC2)OC1(C)C 2265385488 ADTIKRJUALPZSA-UHFFFAOYSA-N 223.125 1.832 30 30 BDEC C#CCOC(=O)c1cccc(CSC(=N)N)c1 4377456 QVKUCLSLQLPYKT-UHFFFAOYSA-N 248.307 1.603 30 30 BDEC CN(CCC=O)C(=O)OCc1ccccc1 148985998 ASDHGXFBSTYSEC-UHFFFAOYSA-N 221.256 1.844 30 30 BDEC N#Cc1c(F)ccc2[nH]c(C(=O)O)cc12 704514587 HHMQQOHULSZCRG-UHFFFAOYSA-N 204.160 1.877 30 30 BDEC Cc1ccc(B2OC(C)(C)C(C)(C)O2)nc1C 206066542 CGKLMZFVSBTACG-UHFFFAOYSA-N 233.120 1.998 30 30 BDEC N#Cc1ccc([C@]2(C(=O)O)CCO2)cc1 2265385048 SCZJMEXDBZKOEF-NSHDSACASA-N 203.197 1.258 30 30 BDEC CC1=NOC(=O)/C1=C\c1c(C)noc1O 31317618 DGDKOCPQXPWWMH-CLTKARDFSA-N 208.173 1.005 30 30 BDEC N#C[C@@H]1C[C@H]2[C@@H](O)CC[C@H]1N2Cc1ccccc1 306417222 XVJZMHJFKGAQGC-XGUBFFRZSA-N 242.322 1.924 30 30 BDEC ON=Cc1ncc(Br)s1 714045987 WYFYXCKMYXOWFO-UHFFFAOYSA-N 207.052 1.714 30 30 BDEC CCOC(=O)c1cc(C#N)cc(OC)c1 90470648 GGUMQTRVPNLXEF-UHFFFAOYSA-N 205.213 1.744 30 30 BDEC CCc1cc(C)ccc1NC(=O)/C=N/O 39101163 AJMMALUUODRRQE-KPKJPENVSA-N 206.245 1.956 30 30 BDEC CCOCCOS(=O)(=O)c1ccccc1 95932288 KLFDANISIXHJNK-UHFFFAOYSA-N 230.285 1.428 30 30 BDEC C#Cc1cc(Br)cc(CO)c1 238713875 PMQCCBWGBCJLII-UHFFFAOYSA-N 211.058 1.923 30 30 BDEC O=C1COC(=O)C(c2ccccc2)=C1O 31776234 AFOMWBZLVSMOEM-UHFFFAOYSA-N 204.181 1.082 30 30 BDEC CC(=O)Nc1ccc(O)c(NCCC#N)c1 5137989 ODVOQTAXTDMKPZ-UHFFFAOYSA-N 219.244 1.676 30 30 BDEC CCOC(=O)[C@H](C#N)c1ccccc1F 44197759 CSTOKYOKTOJYOX-SECBINFHSA-N 207.204 1.996 30 30 BDEC in-vitro CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB(CN)O[C@@]21C 207095331 GMWJKKPSKPSEBE-LOKLDPHHSA-N 209.098 1.213 30 30 BDEC CCO[C@H]1CCCC[C@@]1(C#N)OC(C)=O 39099759 PSGIEDBOIWTURE-QWRGUYRKSA-N 211.261 1.791 30 30 BDEC Cn1cc(Br)c(CS)n1 885932626 AMLTXJZDWNXYOQ-UHFFFAOYSA-N 207.096 1.612 30 30 BDEC N#Cc1cc(Cl)ccc1Nc1ncnc(N)n1 90044 FUNPKIBUSUGCJB-UHFFFAOYSA-N 246.661 1.722 30 30 BDEC CC(C)NC[C@@H](O)COc1ccccc1C#N 2007734 YTTFGUYTPJYRBQ-GFCCVEGCSA-N 234.299 1.296 30 30 BDEC C[C@@H](C#N)n1cc(Br)cn1 44427499 MIDJXRJYALHPFZ-YFKPBYRVSA-N 200.039 1.730 30 30 BDEC CO[C@H]1OCCC2=C1C(=O)c1ccccc1C2=O 44138664 IEJHZUJTFKTQGN-AWEZNQCLSA-N 244.246 1.755 30 30 BDEC CCC1=C(CC(=O)OC(C)(C)C)OCC1=O 39102662 OGBGLUHKIQRUMP-UHFFFAOYSA-N 226.272 1.982 30 30 BDEC C#CCNC1=NC(=O)[C@H](c2ccc(Cl)cc2)O1 5112383 JTPSSBRZZQPBKW-JTQLQIEISA-N 248.669 1.517 30 30 BDEC CN(C)/N=C/Nc1ccc(C(=O)O)cc1 39086978 ANOWUTXFIQYJAS-UHFFFAOYSA-N 207.233 1.302 30 30 BDEC CS(=O)(=O)c1[nH]nc(-c2ccccc2)c1C#N 166065 XVCKFJOTFMKERL-UHFFFAOYSA-N 247.279 1.352 30 30 BDEC CCOC(=O)[C@H](C#N)CCc1cccnc1 136063633 SQLATHLCIOXLDN-NSHDSACASA-N 218.256 1.717 30 30 BDEC CCCC(=O)On1c(C)nc2ccccc2c1=O 96328805 KDXGOSLGCUNDOW-UHFFFAOYSA-N 246.266 1.460 30 30 BDEC CC(=Nc1cc(C)n[nH]1)[C@@H]1CCOC1=O 254704839 JAPVQIZRYDYWMZ-QMMMGPOBSA-N 207.233 1.374 30 30 BDEC N#Cc1ccc2c(O)c(C(=O)O)cnc2c1 21984618 QKBVDRBQCUYVAP-UHFFFAOYSA-N 214.180 1.510 30 30 BDEC C=C(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2506604 WSZDLYUKDIEHDY-ZETCQYMHSA-N 215.249 1.540 30 30 BDEC C=C(C(=O)OC)[C@H](O)c1ccc([N+](=O)[O-])cc1 19835969 QMALDNNWRVBOJW-JTQLQIEISA-N 237.211 1.357 30 30 BDEC C#CCN(C)[C@@H](C)Cc1ccc(N)cc1 65734211 XXFSWRABMGXENS-NSHDSACASA-N 202.301 1.765 30 30 BDEC in-vitro C=CCc1ccccc1OC[C@@H](O)CO 3643520 NRIXNDFJJSOBCR-NSHDSACASA-N 208.257 1.147 30 30 BDEC C=CCN[C@@H](Cc1ccccc1)C(=O)OCC 51961938 TWFWCAATTPKCGI-ZDUSSCGKSA-N 233.311 1.936 30 30 BDEC in-vitro O=C1OCC/C1=N\Nc1ccccc1O 101407494 WPYRSYNJUGENCZ-XYOKQWHBSA-N 206.201 1.107 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@](O)(CS)C1 76680164 JJSIHBXQHAYFAC-SNVBAGLBSA-N 233.333 1.288 30 30 BDEC CCOC(=O)[C@@H]1O[C@@H]1c1ccc(C)cc1 5857743 UMSHXRVBYUKRDF-GHMZBOCLSA-N 206.241 1.998 30 30 BDEC O=C(C=Cc1cnc2ccccc2c1)NO 2265272114 BZEOWBGHBQKFDU-UHFFFAOYSA-N 214.224 1.753 30 30 BDEC CCOC(=O)c1cn(C)c2oc(C#N)cc2c1=O 34567656 ZVONHJMRGNWJRI-UHFFFAOYSA-N 246.222 1.180 30 30 BDEC C=C(C)C(=O)N[C@@H](O)C(Cl)(Cl)Cl 5194727 HYIOVDDWOCTHOG-YFKPBYRVSA-N 232.494 1.367 30 30 BDEC COc1ccc(C#N)nc1Br 98179688 VDEZFORNGSDBIW-UHFFFAOYSA-N 213.034 1.724 30 30 BDEC in-vitro CN1CN=C(SCc2cccc(C#N)c2)NC1 144708 ZESDBDFSBMEBAE-UHFFFAOYSA-N 246.339 1.597 30 30 BDEC C=CCOc1cc(OC)ccc1C(=O)O 42224285 NAFITOVUIPDYLZ-UHFFFAOYSA-N 208.213 1.958 30 30 BDEC in-vitro C/C(=N\NC1=NCCCN1)c1ccccc1 4693106 AQSDMHQYTIWKPI-XNTDXEJSSA-N 216.288 1.350 30 30 BDEC N#Cc1ccc(/C=N/CCN2CCNC2=O)cc1 4371442 WSCZCKSREICHAV-XNTDXEJSSA-N 242.282 1.002 30 30 BDEC O=[N+]([O-])c1ccc(C#Cc2ccccn2)nc1 149563775 PPBKWBVPYYAHLM-UHFFFAOYSA-N 225.207 1.785 30 30 BDEC C[C@H](C#N)c1ccc(S(C)(=O)=O)cc1 37245549 MMUKSWLAKOHDIS-MRVPVSSYSA-N 209.270 1.717 30 30 BDEC CCOc1cc(C)c(C#N)cc1C(=O)NC 39100358 SYGKCIOUCKRZJT-UHFFFAOYSA-N 218.256 1.625 30 30 BDEC N#CCSc1nnc(-n2cccc2)s1 2150993 NTPLRLFXBKNZGJ-UHFFFAOYSA-N 222.298 1.944 30 30 BDEC CS/C(N)=N/c1cccc(C(=O)O)c1 39084145 YARJHZVOPBMSSS-UHFFFAOYSA-N 210.258 1.694 30 30 BDEC CC(=O)CSc1nc(C(C)=O)ccc1C#N 124267 BAQCZDWWYRRCIU-UHFFFAOYSA-N 234.280 1.837 30 30 BDEC C#C[C@H](O)c1c(OC)cc(OC)cc1OC 21998476 SWTIFAXMKKYMLJ-VIFPVBQESA-N 222.240 1.379 30 30 BDEC C#CCOc1ccc(N)cc1C(=O)NCCCC 1842725 DXHYQIJBUNRPJT-UHFFFAOYSA-N 246.310 1.811 30 30 BDEC in-man C#CC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CCCCC1 33635136 PZDVIJAXMIWGMM-NXEZZACHSA-N 235.283 1.159 30 30 BDEC CC(=O)Nc1cccc([N+](=O)[O-])c1C#N 38540049 NXJRWCOJJBCFSL-UHFFFAOYSA-N 205.173 1.425 30 30 BDEC Cc1cccnc1[C@H](C)OS(C)(=O)=O 39109677 SPOZVTXOZPXQBJ-QMMMGPOBSA-N 215.274 1.427 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](N)C3CC3)O[C@]12C 396512317 HBEPQTNQRAKMHD-FGPLHTHASA-N 249.163 1.991 30 30 BDEC C#CCN(C)c1ccccc1OC(=O)NC 2015105 GJYRCEALCUOYBO-UHFFFAOYSA-N 218.256 1.474 30 30 BDEC C#CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 79195 QBGOTCFVIMXIQY-UHFFFAOYSA-N 241.287 1.516 30 30 BDEC C#Cc1cccc(NC(=O)CCCN)c1 19440896 RBVNXWIYQBJHKJ-UHFFFAOYSA-N 202.257 1.345 30 30 BDEC C[Si](C)(C)C#CC1=CC=C[C@H](O)[C@@H]1O 221112320 FTZZAHGBWPYCNO-WDEREUQCSA-N 208.333 1.085 30 30 BDEC CCOC(=O)/C(=N/CCOC)C(F)(F)F 75928638 BKERYJKLXMZIQP-SDQBBNPISA-N 227.182 1.199 30 30 BDEC N#C/C(=N\Nc1ccccc1)C(=O)C1CC1 96374 FMNOXWSHRIEFPY-RVDMUPIBSA-N 213.240 1.957 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](CC#N)C1 257935298 BPWGCTFYOMUFSA-NXEZZACHSA-N 240.303 1.518 30 30 BDEC Cc1ccccc1/C(O)=N/S(C)(=O)=O 42279931 OBTICJVEFSTRKO-UHFFFAOYSA-N 213.258 1.259 30 30 BDEC N#CC(F)(F)C(F)(F)C(F)(F)C#N 1847480 YDLOFKOZJGMQBZ-UHFFFAOYSA-N 202.057 1.939 30 30 BDEC N#CCCN(Cc1cccs1)C(N)=S 39124991 GNVZACZRPMWNQI-UHFFFAOYSA-N 225.342 1.707 30 30 BDEC C#C[C@@H]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 142115094 RNMXLCQSOUOFEK-BDAKNGLRSA-N 239.271 1.472 30 30 BDEC COCCCNC(=S)Nc1cccc(C#N)c1 2161146 RKJRIVVRXIQFMG-UHFFFAOYSA-N 249.339 1.881 30 30 BDEC C=C[C@@H]1CN(C(=O)C(F)(F)F)C[C@@H]1C=C 39055778 OMYGRRAWGYIDIZ-OCAPTIKFSA-N 219.206 1.995 30 30 BDEC COC(=O)[C@@H](N)C(C)(C)c1ccc(C#N)cc1 1535854273 PTLUNDVURQDTJB-LLVKDONJSA-N 232.283 1.336 30 30 BDEC CCOC(=O)[C@@H](C=O)Cc1ccc(C)nc1 33606263 IIOWETJNAPDAGC-LLVKDONJSA-N 221.256 1.311 30 30 BDEC N#CCSc1nnc(Cc2ccccn2)o1 6080306 BBHBVCBFGRMPAA-UHFFFAOYSA-N 232.268 1.671 30 30 BDEC CC(=O)Oc1cccc2c1C(=O)C=CC2=O 88373 BSKQCCPLVNJCQE-UHFFFAOYSA-N 216.192 1.547 30 30 BDEC biogenic CNC(=S)N/N=C/C=C/c1ccccc1 3086618 NOQKDSORZMJWHB-BHHNFLQBSA-N 219.313 1.780 30 30 BDEC CCOC(=O)CN[C@@H](C#N)Cc1ccccc1 95642741 PORIWNWVCVYHMK-GFCCVEGCSA-N 232.283 1.274 30 30 BDEC COc1cnc(C#N)cc1Br 307549354 PQEIGLBJYVIJOT-UHFFFAOYSA-N 213.034 1.724 30 30 BDEC N#CCCN1N=C(C(F)(F)F)CC1=O 36667460 NIZRQHJUWBBXRG-UHFFFAOYSA-N 205.139 1.051 30 30 BDEC CCOc1ccc(C#N)c(S(=O)(=O)O)c1 33637259 SDXRQNSIKNPHTJ-UHFFFAOYSA-N 227.241 1.204 30 30 BDEC CCCCCCCC[S@](=O)C[C@@H](O)CO 71788555 RIFTWNDKDOBMLN-XHDPSFHLSA-N 236.377 1.449 30 30 BDEC in-vitro CC[C@@H](C=NNO)NC(=O)OC(C)(C)C 382642775 YIVHTVTXHNWQAW-ZETCQYMHSA-N 217.269 1.254 30 30 BDEC CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2O[C@H]2C1 307598869 PYZCXLIAMPGJIB-VGMNWLOBSA-N 213.277 1.831 30 30 BDEC Cc1nc(/C(N)=N/O)c(C(F)(F)F)o1 4382911 ATONOJGJQKELAH-UHFFFAOYSA-N 209.127 1.096 30 30 BDEC C[N+](C)(Cc1ccccc1)[C@H]1CCCCNC1=O 38643968 PVNPGZAWBZZNFW-AWEZNQCLSA-O 247.362 1.932 30 30 BDEC NC(N)=Nc1nc2cc(Cl)c(Cl)cc2[nH]1 13219331 XEBPUCFKEPJQFT-UHFFFAOYSA-N 244.085 1.775 30 30 BDEC C=CCc1ccccc1OC[C@H](O)CO 3643519 NRIXNDFJJSOBCR-LLVKDONJSA-N 208.257 1.147 30 30 BDEC Cc1ccc2occ(C=NO)c(=O)c2c1 254372730 ZMADWYYNFSUAMK-UHFFFAOYSA-N 203.197 1.910 30 30 BDEC COC(=O)[C@@]1(C)O[C@]1(C)c1ccccc1 39274967 PVJSAAXPHUIGEY-VXGBXAGGSA-N 206.241 1.864 30 30 BDEC in-vitro C#C[C@H]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 218803000 RNMXLCQSOUOFEK-IUCAKERBSA-N 239.271 1.472 30 30 BDEC CCO[P@](=O)(O)O[C@@H](C)[C@H](C)C#N 263589269 HOGRUXGHFCHCAT-RQJHMYQMSA-N 207.166 1.688 30 30 BDEC CC1(C)OB(c2nc3ccccc3[nH]2)OC1(C)C 204390045 SLGBRSXTWRIXHQ-UHFFFAOYSA-N 244.103 1.862 30 30 BDEC CC(C)(C)OC(=O)N1CCNC[C@H]1CC#N 259321165 BTWCKQOWWVNXTC-SECBINFHSA-N 225.292 1.109 30 30 BDEC COC(=O)c1[nH]c2ccccc2c1C=NO 253533058 JHOPJHRKUMGBEK-UHFFFAOYSA-N 218.212 1.763 30 30 BDEC CN(C)C=NC(=O)C=Cc1ccccc1 2265263996 VAVFKJNLIHGGJF-UHFFFAOYSA-N 202.257 1.816 30 30 BDEC N#Cc1ccc(-c2n[nH]cc2C(=O)O)cc1 20439778 LYSHXWMRLXBGKF-UHFFFAOYSA-N 213.196 1.647 30 30 BDEC CS(=O)(=O)c1ccc(/C(Cl)=N/O)cc1 141552361 JUGUQJCEBPLPKZ-NTMALXAHSA-N 233.676 1.465 30 30 BDEC C[C@@H](C/C(N)=N\O)NC(=O)OC(C)(C)C 54138842 VBSXYTLJKCZCSW-LURJTMIESA-N 217.269 1.036 30 30 BDEC in-vitro CC(CCOS(C)(=O)=O)=C(F)F 39115554 GXWFVQARKJCEKZ-UHFFFAOYSA-N 200.206 1.523 30 30 BDEC CCOC(=O)CC(=O)Cc1ccc(C#N)cc1 584907805 WIYULMMMXMLKDD-UHFFFAOYSA-N 231.251 1.623 30 30 BDEC O=C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)C(F)(F)F 100194285 GJJPBNCJKNQLOH-ACZMJKKPSA-N 221.178 1.127 30 30 BDEC CC#CC[C@@H](CO)NC(=O)OC(C)(C)C 39093724 UCCPCZIRSLCHAS-VIFPVBQESA-N 213.277 1.285 30 30 BDEC COC(=O)c1cccc(/N=C/N(C)C)c1 100127495 LFEFQBQYFXZRSN-XYOKQWHBSA-N 206.245 1.695 30 30 BDEC O=C1c2ccccc2C(=O)N1[C@H]1CCC(=NO)C1 310509615 AXDDETXWXIGFAP-VIFPVBQESA-N 244.250 1.665 30 30 BDEC COc1cccc(CC2=C[C@H](O)CC2=O)c1 205915441 XDDBMMQWDBJKDS-NSHDSACASA-N 218.252 1.498 30 30 BDEC N#Cc1cc2cc(O)cc(O)c2cc1C#N 34619624 DMDQTCPKQXYYGP-UHFFFAOYSA-N 210.192 1.994 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C1 139507480 BBYHDIQXIHCULS-JTQLQIEISA-N 239.319 1.499 30 30 BDEC C=CC(=O)NC1=C(C)C(=O)C(C)=C(C)C1=O 100252126 DQXOAGPCEUAFPD-UHFFFAOYSA-N 219.240 1.051 30 30 BDEC SCCNCCCCCCNCCS 5178665 OQKAJPIRPPBWBF-UHFFFAOYSA-N 236.450 1.586 30 30 BDEC CCOc1ccccc1/C=N/NC(=S)NC 172097 IUDFAGJNFJEXML-MDWZMJQESA-N 237.328 1.513 30 30 BDEC C[C@H](C#N)Oc1cccc(CC(=O)O)c1 43513282 OSCCTSZIXPMGJC-MRVPVSSYSA-N 205.213 1.605 30 30 BDEC COC(=O)[C@H](S)CCc1ccco1 38646889 RDYFRAQZXXSAPX-MRVPVSSYSA-N 200.259 1.684 30 30 BDEC CCNC1=CC2=NCCc3c[nH]c(c32)C1=O 28895323 ZYQIRQQUURHXIV-UHFFFAOYSA-N 215.256 1.050 30 30 BDEC N#Cc1ccc(Br)c(C=O)n1 238059794 BYWYUODJXARBTL-UHFFFAOYSA-N 211.018 1.528 30 30 BDEC CO/C(N)=N/C(=S)Nc1ccccc1 4365939 KOIPWYKDKIPMAC-UHFFFAOYSA-N 209.274 1.345 30 30 BDEC COCc1[nH]c(=S)c(C#N)cc1C(=O)OC 15924091 SYPFPQUWMZYAMG-UHFFFAOYSA-N 238.268 1.549 30 30 BDEC C=CCOC(=O)[C@@H]1O[C@@H]1c1ccccc1 1695139 GOGSOMHYWHWPJL-GHMZBOCLSA-N 204.225 1.856 30 30 BDEC COc1ccc(C2=NOC(=O)C2)cc1OC 100115266 MYGFMUAVKKTGNC-UHFFFAOYSA-N 221.212 1.355 30 30 BDEC CON=C[C@@H](C#N)[C@H]1OC(=O)c2ccccc21 254706160 WYFRJKLUFWTNAF-LDYMZIIASA-N 230.223 1.670 30 30 BDEC C#CCNc1sc(C(C)=O)cc1[N+](=O)[O-] 4349721 HGLLMLCFGIMGTA-UHFFFAOYSA-N 224.241 1.904 30 30 BDEC C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#N 260510422 NZYARUVJKPPVIN-BXKDBHETSA-N 239.319 1.484 30 30 BDEC CC(=NO)c1ccc(NC(=O)C=CC(=O)O)cc1 2265272026 HNEBHCLTULWJDW-UHFFFAOYSA-N 248.238 1.464 30 30 BDEC CC(=O)ON=Cc1cccc([N+](=O)[O-])c1 254741754 AXHFCXXSDCCLOA-UHFFFAOYSA-N 208.173 1.492 30 30 BDEC CCCCCCC[C@H](N)P(=O)(O)O 2389354 YRCIJTKAYRSRQF-MRVPVSSYSA-N 209.226 1.809 30 30 BDEC O=C1COC2=C1CCN2c1ccccc1 39127510 BLIVQPHEHHJZJK-UHFFFAOYSA-N 201.225 1.708 30 30 BDEC N#Cc1ccc(-c2ccnc(N)n2)s1 84193855 KAAGKJVFANVAKL-UHFFFAOYSA-N 202.242 1.659 30 30 BDEC O=C(C=NO)Nc1ccccc1Br 254743823 KRUQMJREXXFSBT-UHFFFAOYSA-N 243.060 1.848 30 30 BDEC in-vitro C#CC[C@@]1(C(=O)OC(C)(C)C)CCCO1 1536219799 DNHNUEAFAZIUGH-LBPRGKRZSA-N 210.273 1.901 30 30 BDEC CCCCCCCc1nnc(S)n1N 100502277 GRJSUUQGUUSSON-UHFFFAOYSA-N 214.338 1.794 30 30 BDEC COc1cc(OC[C@H]2CO2)cc(OC)c1OC 38171471 DMPSZPVEKHHIBR-VIFPVBQESA-N 240.255 1.490 30 30 BDEC Cc1cc(N=C(N)N)nc2ccccc12 34027567 PBIUQBDINOYEEJ-UHFFFAOYSA-N 200.245 1.448 30 30 BDEC COc1ccc(C[C@@H](S)C(=O)O)cc1 37462185 ZVBNLZAOTUQAHW-SECBINFHSA-N 212.270 1.621 30 30 BDEC CCCCCCCC[N+](C)(CCO)CCO 111403031 MVDBOLCHRMMMHM-UHFFFAOYSA-N 232.388 1.778 30 30 BDEC C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C=O 34310005 KDDCJBFJUBOMOR-BDAKNGLRSA-N 243.303 1.946 30 30 BDEC in-vitro O=CCCOS(=O)(=O)CCc1ccccc1 238791465 JQOQQYVIZJQQJO-UHFFFAOYSA-N 242.296 1.165 30 30 BDEC N#CCc1cc(C(N)=O)cc(Br)n1 2524953 ULQNACVRPIVZAJ-UHFFFAOYSA-N 240.060 1.009 30 30 BDEC C#CCN(C)[C@H](C)Cc1ccc(N)cc1 65734215 XXFSWRABMGXENS-LLVKDONJSA-N 202.301 1.765 30 30 BDEC in-vitro C[C@H](C/C(N)=N\O)NC(=O)OC(C)(C)C 54138844 VBSXYTLJKCZCSW-ZCFIWIBFSA-N 217.269 1.036 30 30 BDEC in-vitro C=CCNC1=C(c2ccccc2)C(=O)[C@@H]1O 100251580 FXARRKJCZHLBNR-CYBMUJFWSA-N 215.252 1.117 30 30 BDEC C=CCNc1nc(C)ccc1C(=O)OC 39086948 DFHAYCJGNDWFRP-UHFFFAOYSA-N 206.245 1.775 30 30 BDEC CON=CCC(=O)c1ccc(OC)cc1 254450337 USRFETHLUHIBCX-UHFFFAOYSA-N 207.229 1.900 30 30 BDEC SCCNC[C@@H]1CC[C@H]1CNCCS 5191585 VHIMWKYVYLKRKR-UWVGGRQHSA-N 234.434 1.051 30 30 BDEC CN(C)C(S[C@@H]1CCCCN1)=[N+](C)C 2265382649 LLMCIFDMQJJXCD-SECBINFHSA-N 216.374 1.009 30 30 BDEC CCOC(OCC)C(=O)C#C[Si](C)(C)C 950757580 WWUMCZDPRJUPIF-UHFFFAOYSA-N 228.364 1.835 30 30 BDEC CCOC(=O)/C=C(\C)C(=O)CC(=O)OCC 196289174 YURBSDMYXIHAMQ-SOFGYWHQSA-N 228.244 1.018 30 30 BDEC CCOP(=O)(COS(C)(=O)=O)OCC 96395073 CFXHICSKKKWNKL-UHFFFAOYSA-N 246.221 1.186 30 30 BDEC SCCNC[C@H]1CC[C@@H]1CNCCS 5191333 VHIMWKYVYLKRKR-NXEZZACHSA-N 234.434 1.051 30 30 BDEC CC1=NN(c2ccccc2)C(=O)C1=NO 252460935 JHTUXIJDZXONIE-UHFFFAOYSA-N 203.201 1.239 30 30 BDEC CC(=O)c1nnn(-c2cccc(C#N)c2)c1C 138868 ZQGUGCTVYBRUBV-UHFFFAOYSA-N 226.239 1.650 30 30 BDEC C#Cc1cccc(NCC(=O)N2CCCC2)c1 55351939 LZGITMDEASRZAW-UHFFFAOYSA-N 228.295 1.702 30 30 BDEC C=CCOc1cc(C=O)ccc1OC(C)=O 2265351712 IOVWFESJYJBEOQ-UHFFFAOYSA-N 220.224 1.989 30 30 BDEC C=C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N 2265384534 QBBDLJVGLCKEJS-DTWKUNHWSA-N 212.293 1.367 30 30 BDEC COC(=O)[C@@H](S)CCc1ccco1 38646893 RDYFRAQZXXSAPX-QMMMGPOBSA-N 200.259 1.684 30 30 BDEC C[C@@H]1CN(Cc2ccccc2)C[C@@H](C#N)O1 407986235 CFPNZEFGACMFGY-DGCLKSJQSA-N 216.284 1.799 30 30 BDEC Cc1nn(C)c(CC#N)c1Br 84270930 GRNJWBVCGMDMDE-UHFFFAOYSA-N 214.066 1.557 30 30 BDEC C#CCc1ccc(CN2CCOCC2)cc1 1249946144 KFFYVELVUPITLG-UHFFFAOYSA-N 215.296 1.695 30 30 BDEC COc1ccc(CCC=O)c(OC)c1OC 34557368 PIPYVDDEXSSEPO-UHFFFAOYSA-N 224.256 1.844 30 30 BDEC C#CCSCCNC(=O)OC(C)(C)C 95347942 BPGZSJNTFMEQEY-UHFFFAOYSA-N 215.318 1.878 30 30 BDEC in-vitro CC(=O)/C(C#N)=N/Nc1ccc(F)cc1 168794 JMTJPWZIWCGPGQ-GXDHUFHOSA-N 205.192 1.706 30 30 BDEC CC1=NN(C)[C@H](Oc2ccccc2)/C1=N/O 100082575 LSSBYVREACNJMI-BVRAVYJCSA-N 219.244 1.543 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB(CN)O[C@]12C 207095377 GMWJKKPSKPSEBE-HJGDQZAQSA-N 209.098 1.213 30 30 BDEC CC(C)(C)NS(=O)(=O)C1([C@@H]2CO2)CCC1 675050824 PBHUKTALFZTRFA-QMMMGPOBSA-N 233.333 1.026 30 30 BDEC CCOC(=O)[C@@](C)(C#N)Cc1ccccn1 82164625 ADQZYJTWNUSGCH-GFCCVEGCSA-N 218.256 1.717 30 30 BDEC O=C(CC=NO)Nc1ccc(F)cc1F 382392156 HKISECSSLODZRP-UHFFFAOYSA-N 214.171 1.753 30 30 BDEC N#CCS(=O)(=O)Cc1c(F)cccc1Cl 121076 IAJYBGFTLHJFFC-UHFFFAOYSA-N 247.678 1.917 30 30 BDEC CN(C)c1ccc([N+](=O)[O-])c(N(C)C)c1C#N 4306515 UTZLTPWGKIBXNL-UHFFFAOYSA-N 234.259 1.598 30 30 BDEC C=C(C)C(=O)O[C@@H](C)C[N+](C)(CC)CC 38632720 HYNNEDVXIRTMTN-NSHDSACASA-N 214.329 1.981 30 30 BDEC CS(=O)(=O)OC[C@@H]1CCCCC1(F)F 238850692 CPGQPMOLCRCDSX-ZETCQYMHSA-N 228.260 1.788 30 30 BDEC CCCCCCC[C@@H](N)P(=O)(O)O 36350349 YRCIJTKAYRSRQF-QMMMGPOBSA-N 209.226 1.809 30 30 BDEC CNCB1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 208213713 UGAWCTKVAYZCRM-KLBPJQLPSA-N 223.125 1.473 30 30 BDEC CC(C)(C)OC(=O)N1CC/C(=N/O)[C@@H](F)C1 725239826 DDCRUWCZTZEPRX-GIRFKFFRSA-N 232.255 1.796 30 30 BDEC CCOC(=O)[C@@H]1CCC(=O)[C@@]2(CC)O[C@@]12C 39102653 RNQLYGHXWJUCTO-KPXOXKRLSA-N 226.272 1.466 30 30 BDEC c1ccc(-c2cc3n(n2)C[C@@]2(CO3)CO2)cc1 725712232 KHWLEZWGZJBCDP-CYBMUJFWSA-N 228.251 1.712 30 30 BDEC COc1ccc(CS/C(N)=N/N)cc1 4323573 LSXCFLUOAWAASS-UHFFFAOYSA-N 211.290 1.117 30 30 BDEC O=C1NCCCC1=NNc1ccc(F)cc1 254498732 PUMHCEHOSCFOTP-UHFFFAOYSA-N 221.235 1.504 30 30 BDEC COC1=CC(=O)C(=O)c2c(OC)cccc21 32224188 PVOMKTHCDDUQDL-UHFFFAOYSA-N 218.208 1.448 30 30 BDEC C[C@@H](CN)CC(C)(C)CCNCCC#N 6036141 CXXHKLBKHPAMQM-LLVKDONJSA-N 211.353 1.891 30 30 BDEC Cc1cc(B2OC(C)(C)C(C)(C)O2)ncc1O 306680827 MINQZMNQPXWZTJ-UHFFFAOYSA-N 235.092 1.395 30 30 BDEC C=CCOc1ccc([N+](=O)[O-])c(C(=O)O)c1 26514919 NTLYYFTYFANACZ-UHFFFAOYSA-N 223.184 1.858 30 30 BDEC CCOC(=O)CC/C(=N\O)c1cccnc1 35644494 GKSBRLHWUSPCQF-JLHYYAGUSA-N 222.244 1.603 30 30 BDEC in-vitro C#CC(C)(C)NC(=O)c1ccc(F)cc1 1853430 PTBZQKPCPZYJDD-UHFFFAOYSA-N 205.232 1.967 30 30 BDEC CC(C)(C)OC(=O)NC1CC(C#CC(=O)O)C1 685950481 RBABMNHXGIJTNI-UHFFFAOYSA-N 239.271 1.378 30 30 BDEC COC(=O)C(=NNc1ccc(F)cc1)C(C)=O 263632137 FFEIIFUMEVVHMH-UHFFFAOYSA-N 238.218 1.356 30 30 BDEC COC(=O)N1C=C(C(=O)C(F)(F)F)OCC1 725343636 YBJIJMFHYPWKCQ-UHFFFAOYSA-N 239.149 1.058 30 30 BDEC CC(C)N1CCC2=C(C1)S[C@](N)(C#N)C2 207721977 YCSIETVFADYPER-NSHDSACASA-N 223.345 1.670 30 30 BDEC C1O[C@@H]1CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12 256445943 NJBGVARMYOOVSX-OZXYLILFSA-N 222.284 1.214 30 30 BDEC C=CCN1C(=O)NC(=O)C(CC)(CC)C1=O 2036928 IGIRIITWQIFRAW-UHFFFAOYSA-N 224.260 1.057 30 30 BDEC CC(C)(C)N/N=C/c1cccc(O)c1O 299803544 XKNWJZHTMNLZGX-KPKJPENVSA-N 208.261 1.820 30 30 BDEC COC(=O)CCSc1ncccc1C#N 34156158 FGKMJIKFBNOWGW-UHFFFAOYSA-N 222.269 1.608 30 30 BDEC N#CC[S@](=O)c1ccc(C(=O)O)cc1 37855770 MVFAVXXCCNIFON-CQSZACIVSA-N 209.226 1.016 30 30 BDEC N#C[C@@H](C(N)=O)C(=S)Nc1ccccc1 76493 ULIAPGGKPGOHQO-QMMMGPOBSA-N 219.269 1.051 30 30 BDEC CC(F)(F)C1(COS(C)(=O)=O)CC1 705064187 CZAYQBRSSMCFKU-UHFFFAOYSA-N 214.233 1.398 30 30 BDEC Cc1cnc(N/C=N/O)c(Br)c1 11535912 YLBVTXNIRGVWQD-UHFFFAOYSA-N 230.065 1.982 30 30 BDEC C=C(C)[C@@H]1CC=C(C)[C@](O)(S(=O)(=O)O)C1 223709051 RWPSPKYQAQNDTC-NXEZZACHSA-N 232.301 1.495 30 30 BDEC COCC(=O)c1ccc(OC[C@H]2CO2)cc1 22062343 CIMRBEXZDRADEV-NSHDSACASA-N 222.240 1.293 30 30 BDEC in-vitro Cc1c(C#N)sc(C(=O)/N=C/N(C)C)c1C 4323431 KVYYHTBRBOIAIA-AWNIVKPZSA-N 235.312 1.967 30 30 BDEC COc1cc(/C(C)=N/O)cc(OC)c1OC 14774868 LGCDHCGMGDSSIO-KPKJPENVSA-N 225.244 1.911 30 30 BDEC CCO[C@]12N=C(C)CC[C@]1(C#N)CCO2 135728725 DPKYVDAYUDDCJY-GHMZBOCLSA-N 208.261 1.862 30 30 BDEC C=CCC[C@@H](O)c1c([N+](=O)[O-])cnn1C 216879736 IBSVSHZJDPSKII-MRVPVSSYSA-N 211.221 1.328 30 30 BDEC C=C(CC[C@H](C)C(=O)OC)C(=O)OC 6020463 SUISJNPVANLQPB-QMMMGPOBSA-N 200.234 1.305 30 30 BDEC in-vitro CCc1c(C#N)sc(C(N)=O)c1CC 141399 HAJYBMUWKRERKA-UHFFFAOYSA-N 208.286 1.843 30 30 BDEC N#Cc1ccc(C(=O)C(F)(F)F)cn1 95761275 JUHUWPPGNARXHJ-UHFFFAOYSA-N 200.119 1.698 30 30 BDEC C#C[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 39093598 ZZYCHWANMWNDOH-IUCAKERBSA-N 211.261 1.302 30 30 BDEC CO[C@]1(C(=O)O)O[C@]1(C)c1ccccc1 223689048 QQUDAWDKIOLKLC-GHMZBOCLSA-N 208.213 1.359 30 30 BDEC Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)o1 201532504 BVMHHXHZIVLJIA-UHFFFAOYSA-N 223.081 1.591 30 30 BDEC CC1(C)OB(c2ccc(F)nc2N)OC1(C)C 306730574 PPQQYIBIBHEGLZ-UHFFFAOYSA-N 238.071 1.102 30 30 BDEC O=C1OCC/C1=N\Nc1ccc(O)cc1 100951777 JJBRPKOCBITOQD-FMIVXFBMSA-N 206.201 1.107 30 30 BDEC CCON=C(C)c1sc2ncnn2c1C 254441050 WNPNYOUHXYQYRM-UHFFFAOYSA-N 224.289 1.860 30 30 BDEC CON=Cc1cn(-c2ccc(Cl)cc2)nn1 254533896 VXHPIFLHXRBTOA-UHFFFAOYSA-N 236.662 1.901 30 30 BDEC CCOP(=O)(OCC)/C(=N/O)C(=O)OC 110350208 NBHGQQPWSMJUEF-SOFGYWHQSA-N 239.164 1.213 30 30 BDEC CC(C)(C)OC(=O)N1CCC[C@@](O)(CC#N)C1 260296056 TUMOPFYSBYAMOD-GFCCVEGCSA-N 240.303 1.662 30 30 BDEC C[C@@H](Oc1cccc(CS)c1)C(=O)O 33605432 RKQNEZAUXLNGJJ-SSDOTTSWSA-N 212.270 1.968 30 30 BDEC N/C(=N\O)[C@H]1CSc2ccccc2C1=O 4365184 MNPFJQUDCMAKTI-ZETCQYMHSA-N 222.269 1.338 30 30 BDEC O=[N+]([O-])c1cc2c(cc1C=NO)OCO2 252470042 QSUKJRNTONMMNX-UHFFFAOYSA-N 210.145 1.132 30 30 BDEC C=CCOC(=O)c1cc(N)cc(C#N)c1 39085110 KXPLOHCJQOKXRG-UHFFFAOYSA-N 202.213 1.483 30 30 BDEC C#C[C@@]1(O)C[C@@H](C)N(C)[C@H]2CCCC[C@@H]21 263584280 OMBITJGEGMMNIO-MROQNXINSA-N 207.317 1.634 30 30 BDEC C=C(C)Cc1c(COC)[nH]c(=S)[nH]c1=O 18099069 HZDCADPEWHFWLN-UHFFFAOYSA-N 226.301 1.697 30 30 BDEC CC[C@@H](C)OS(=O)(=O)O[C@H](C)CC 114580436 KYAMUOMYFJTMPP-HTQZYQBOSA-N 210.295 1.861 30 30 BDEC C#C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 521399147 BTOZKYFVHAHDEX-NXEZZACHSA-N 225.288 1.502 30 30 BDEC C[C@H]1CN(c2ncc(C=NO)s2)C[C@@H](C)O1 254393704 ROFRUFGXDYFUTF-OCAPTIKFSA-N 241.316 1.565 30 30 BDEC N#CC[S@@](=O)c1ccc(C(=O)O)cc1 37855771 MVFAVXXCCNIFON-AWEZNQCLSA-N 209.226 1.016 30 30 BDEC CC(=NO)c1ccc(S(=O)(=O)N(C)C)cc1 254557069 DZZBFGKTHVZPBT-UHFFFAOYSA-N 242.300 1.135 30 30 BDEC N#Cc1ccn2c(Br)nnc2c1 261038398 JYWLUOYMIDZFRL-UHFFFAOYSA-N 223.033 1.363 30 30 BDEC N#Cc1ccccc1Oc1cc(=O)[nH]cn1 101432177 AEPJWPTWMHUKLG-UHFFFAOYSA-N 213.196 1.434 30 30 BDEC in-vitro O=C1C=CC(=O)C(c2ccccc2O)=C1 100118780 UOBBOIBRASNGFK-UHFFFAOYSA-N 200.193 1.484 30 30 BDEC O=S(OCC(F)F)OCC(F)F 627276266 UPPGZFNSFWPANR-UHFFFAOYSA-N 210.148 1.129 30 30 BDEC Cc1[nH]c(-c2ccc(C#N)cc2)nc1C(=O)O 2265364187 UBDOKJBJFGMVNW-UHFFFAOYSA-N 227.223 1.955 30 30 BDEC COc1cc(OC)c(OC)cc1/C=N/N 7276451 RRUCWUIDHHDDIF-WUXMJOGZSA-N 210.233 1.005 30 30 BDEC CCOC(=O)Cc1ccc(C#N)c(OC)c1 95936077 JZDQGUMBHPMRHM-UHFFFAOYSA-N 219.240 1.672 30 30 BDEC CCOc1ccc(C(=NO)C(C)=O)cc1 254818350 JWMSSUBXLKFNHU-UHFFFAOYSA-N 207.229 1.853 30 30 BDEC N#Cc1cc(Cl)ccc1N1C(=O)C=CC1=O 97606 CFFKJCDSQHAVBT-UHFFFAOYSA-N 232.626 1.641 30 30 BDEC CC(=O)O/N=C(\N)c1ccc(F)cc1F 12410214 ZNOBQOJHPCIAOV-UHFFFAOYSA-N 214.171 1.148 30 30 BDEC CON=CC(=CNc1ccc(C#N)cc1)[N+](=O)[O-] 2265270097 RKALRFYEAILQFD-UHFFFAOYSA-N 246.226 1.720 30 30 BDEC CCOC(C[C@@H](C#N)C(=O)OC)OCC 39119387 YALZVCXTKKLTHU-QMMMGPOBSA-N 215.249 1.088 30 30 BDEC CS(=O)(=O)OCC[C@H]1CCCC1(F)F 642882269 NCUGQNHIYKEOSU-SSDOTTSWSA-N 228.260 1.788 30 30 BDEC N#CCCn1ccc(Br)n1 306477169 YNLFRSYRAFGCMK-UHFFFAOYSA-N 200.039 1.559 30 30 BDEC N#Cc1nccc2c(N3CCNCC3)cccc12 95616860 ORAKMGROPYKBLA-UHFFFAOYSA-N 238.294 1.516 30 30 BDEC CN(C)C=Nc1ncnc2sccc12 382565651 CVAJEGZODZFZIB-UHFFFAOYSA-N 206.274 1.913 30 30 BDEC CSc1nc(C(F)(F)F)nc(N)c1C#N 1035838 MIXFTBWWCBBQMM-UHFFFAOYSA-N 234.206 1.671 30 30 BDEC C=CCNCC(=O)Nc1ccc(CC)cc1 1935243 RCXHUKITLJWOSP-UHFFFAOYSA-N 218.300 1.963 30 30 BDEC C=CCn1cnc2c(Cl)nc(N)nc21 36056274 BSHQNKKUWKGGIP-UHFFFAOYSA-N 209.640 1.248 30 30 BDEC CC[C@]1(C)C(=O)C=Cc2c1oc(C)c(CO)c2=O 14713190 JUWRYWAZYBSNCI-CQSZACIVSA-N 248.278 1.704 30 30 BDEC N#CC[S@@](=O)c1nc2ccccc2s1 38997683 ZIRKJTGZOPVQAL-AWEZNQCLSA-N 222.294 1.927 30 30 BDEC CN(C)C=CC(=O)c1cc(O)ccc1O 2265263992 WQQUKNFAIHIJOJ-UHFFFAOYSA-N 207.229 1.356 30 30 BDEC CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C/C2=N/O 100642512 ACQUHAODYILYFJ-RJZCXDFMSA-N 226.276 1.846 30 30 BDEC C#CC(C)(C)NC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234634 UIDQKOBVPFVHFS-GARJFASQSA-N 234.368 1.827 30 30 BDEC C#CC[C@@H]1COCCN1C(=O)OC(C)(C)C 238097454 IAPMRPFGCDWZEM-SNVBAGLBSA-N 225.288 1.646 30 30 BDEC COC(OC)c1ccc(C#N)c(SCC#N)n1 15906882 SXVJWAODGBWVHP-UHFFFAOYSA-N 249.295 1.860 30 30 BDEC C=C(C)[C@H]1C[C@@H](O)[C@]2(C)CC(=O)O[C@@H]2C1 5195175 OCZQJFJNWTYDNP-XNDJQWLSSA-N 210.273 1.655 30 30 BDEC [N-]=[N+]=Nc1cc(C[C@H](N)C(=O)O)ccc1O 24948753 VGCRDUSYLLNJSS-LURJTMIESA-N 222.204 1.288 30 30 BDEC in-vitro CC(=O)/C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C 57361 JJRYPZMXNLLZFH-GFUIURDCSA-N 222.284 1.808 30 30 BDEC endogenous,in-man COC(=O)/C=C1/OC(c2ccccc2)=CC1=O 85583 BNDXBUTZZWDWHM-XYOKQWHBSA-N 230.219 1.684 30 30 BDEC N#Cc1ccc(C2(C(=O)O)CC(=O)C2)cc1 1535852118 MNNBKQPQVFCUTH-UHFFFAOYSA-N 215.208 1.244 30 30 BDEC CCc1cc(O)c(C(=O)NO)c(CC)c1 39101367 GAEYIRYMIPJCOR-UHFFFAOYSA-N 209.245 1.636 30 30 BDEC CCOC(=O)[C@@]1(CCC#N)CCCCC1=O 37632006 JPLIBLZLHLCMQS-GFCCVEGCSA-N 223.272 1.983 30 30 BDEC CCO[C@@H]1CCCC[C@]1(C#N)OC(C)=O 39099760 PSGIEDBOIWTURE-GHMZBOCLSA-N 211.261 1.791 30 30 BDEC CCC/N=C(\C)c1c(O)cc(C)oc1=O 3128931 TVWGTGYYLDSFGR-XYOKQWHBSA-N 209.245 1.873 30 30 BDEC [N-]=[N+]=Nc1cnnc(O)c1Br 34503774 WMHOPJJYSXEQDC-UHFFFAOYSA-N 215.998 1.887 30 30 BDEC COC(=O)c1ccc2c(c1)NC[C@H](C#N)O2 90568263 GYKVJWCSLYVHNM-QMMMGPOBSA-N 218.212 1.170 30 30 BDEC COc1cc(CC#N)ccc1S(C)(=O)=O 60279978 RVIOLJBYTUPRLX-UHFFFAOYSA-N 225.269 1.165 30 30 BDEC in-vitro COC(=O)/C(C(C)=O)=C(/N)c1ccccc1 100240557 MTRBCTXNPRAODY-ZHACJKMWSA-N 219.240 1.118 30 30 BDEC C#CCN1C=CC(=O)[C@@H](Cc2ccccc2)C1=O 957691090 SNGJBHNLLXPWJD-CYBMUJFWSA-N 239.274 1.404 30 30 BDEC C=CC(=O)O/N=C(/N)c1cccc(Cl)c1 68593549 WCQHXDQWMWJVFE-UHFFFAOYSA-N 224.647 1.690 30 30 BDEC in-vitro CC1=NOC(=O)/C1=C\Nc1ccccc1 12341211 NMNHLPXEDWSVJU-YFHOEESVSA-N 202.213 1.915 30 30 BDEC Cc1cccc(C#N)c1N1CCNCC1 98213284 SWOHHEQVMSFYTG-UHFFFAOYSA-N 201.273 1.276 30 30 BDEC CC(C)(C)OC(=O)C(=O)C1=COCCC1 90225785 RBWBPKBUDROUOP-UHFFFAOYSA-N 212.245 1.592 30 30 BDEC CC[C@H](Cc1ccccc1)OS(C)(=O)=O 5925790 VUVAYDCULOJQPR-LLVKDONJSA-N 228.313 1.984 30 30 BDEC N#CCc1cc(Br)c[nH]c1=O 95347610 TXQSIWVKNWZPTN-UHFFFAOYSA-N 213.034 1.203 30 30 BDEC in-vitro O=C1C(=Cc2ccco2)N2CCC1CC2 2265235833 HNLJEHXLQINNQQ-UHFFFAOYSA-N 203.241 1.915 30 30 BDEC CC=CCC=CCCC(=O)[C@@H]1O[C@H]1C(N)=O 2265324118 GVEZIHKRYBHEFX-WDEREUQCSA-N 223.272 1.111 30 30 BDEC NC(=S)NN=Cc1cccc(C(F)(F)F)c1 252447111 GDIMOASDCOFPTD-UHFFFAOYSA-N 247.245 1.873 30 30 BDEC N#CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 57855870 GLHCGPBWHWNOQK-UHFFFAOYSA-N 232.243 1.730 30 30 BDEC N#Cc1ccc(CN2CCC[C@H](C(=O)O)C2)cc1 8699139 UEMDENVMSXQGAJ-ZDUSSCGKSA-N 244.294 1.855 30 30 BDEC N#Cc1cc([N+](=O)[O-])c(N)cc1Br 306845353 GMCUASJXHHJEMI-UHFFFAOYSA-N 242.032 1.811 30 30 BDEC N#CCc1ccc(NC(=O)CCCC(=O)O)cc1 148561 JJSKLAYKLABANU-UHFFFAOYSA-N 246.266 1.946 30 30 BDEC COC1=CC(=O)C(=O)c2ccc(OC)cc21 32224107 LIYJIJAGSFEKEQ-UHFFFAOYSA-N 218.208 1.448 30 30 BDEC CC(=O)N1c2ccccc2OC[C@H]1C#N 39318371 SXMSPPHEQTXVSO-SECBINFHSA-N 202.213 1.324 30 30 BDEC O=C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)C(F)(F)F 307095525 GJJPBNCJKNQLOH-LYFYHCNISA-N 221.178 1.127 30 30 BDEC N#Cc1cc(N2CCNCC2)ccc1F 75927825 ULJNNPVXBIJGED-UHFFFAOYSA-N 205.236 1.107 30 30 BDEC O=C(O)/C=C/C(=O)c1cccc(O)c1[N+](=O)[O-] 36467953 SZTWXYIDDMYRFS-SNAWJCMRSA-N 237.167 1.124 30 30 BDEC in-vitro CS(=O)(=O)OC[C@@H]1C[C@H]1C(F)(F)F 306356887 YLDWXYPYOKASRF-CRCLSJGQSA-N 218.196 1.161 30 30 BDEC C#CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 307201399 COCRLKAZOXBNCU-JTQLQIEISA-N 225.288 1.646 30 30 BDEC CCO/C(O)=C(\[N+]#N)C(=O)C(F)(F)F 136851415 WCGNRDDGNGVLBF-UHFFFAOYSA-O 211.119 1.734 30 30 BDEC N#CCc1csc(Br)n1 82381367 SDZVWJBEDJCDLZ-UHFFFAOYSA-N 203.064 1.972 30 30 BDEC N/C(=N\O)c1sccc1Br 147415109 JOOAAYILSZFVHN-UHFFFAOYSA-N 221.079 1.605 30 30 BDEC in-vitro COc1ccc(C[C@H](S)C(=O)O)cc1 37462183 ZVBNLZAOTUQAHW-VIFPVBQESA-N 212.270 1.621 30 30 BDEC CON=CCS(=O)(=O)c1ccc(Cl)cc1 254738052 FEEXVNZSTWFDJM-UHFFFAOYSA-N 247.703 1.746 30 30 BDEC CCOC(C#CC(OCC)OCC)OCC 2539648 QJVVNQLFPMBGLC-UHFFFAOYSA-N 230.304 1.788 30 30 BDEC N/C(CCCCCCCC/C(N)=N\O)=N/O 4203423 DUOLIMOHSYEMGP-UHFFFAOYSA-N 230.312 1.600 30 30 BDEC COc1c(F)cc(/C(N)=N/O)cc1F 88125179 UUULMAXFZFBMSV-UHFFFAOYSA-N 202.160 1.068 30 30 BDEC C=C[C@H]1CC[C@@H](CO)N1C(=O)OC(C)(C)C 220953158 BLXUQZXRGQGITM-UWVGGRQHSA-N 227.304 1.933 30 30 BDEC CSC[C@@H](C=O)NC(=O)OC(C)(C)C 34455717 UJTIBUBQPFDIPR-SSDOTTSWSA-N 219.306 1.442 30 30 BDEC O=C1C(=Cc2cccnc2)N2CCC1CC2 2265230095 QCIUVDYZQNETIG-UHFFFAOYSA-N 214.268 1.717 30 30 BDEC CC(C)(C)OC(=O)N[C@H](CC=O)C(F)F 113080644 IGQGBBWDUSYYBJ-ZCFIWIBFSA-N 223.219 1.734 30 30 BDEC Cc1cccnc1[C@@H](C)OS(C)(=O)=O 39109675 SPOZVTXOZPXQBJ-MRVPVSSYSA-N 215.274 1.427 30 30 BDEC CCCC[C@]1(CC)C(=O)N(O)C(=O)N=C1O 65735087 XTYFQEJEVVILMF-JTQLQIEISA-N 228.248 1.881 30 30 BDEC in-vitro CC1(C)OB(c2c[nH]c(C#N)c2)OC1(C)C 2265360046 DAHNKHLEYXTWQW-UHFFFAOYSA-N 218.065 1.186 30 30 BDEC C=CCC1(C2CCCC2)C(=O)NC(=O)NC1=O 5193059 CXYVVCRMMGRHDX-UHFFFAOYSA-N 236.271 1.105 30 30 BDEC CON=CCC(=O)Nc1ccc(C)cc1 394526599 FQWIURPKALEZAS-UHFFFAOYSA-N 206.245 1.956 30 30 BDEC C=CCNc1c(C(=O)O)nnc2ccccc12 81666287 OQLKKGNBJRMQSZ-UHFFFAOYSA-N 229.239 1.926 30 30 BDEC in-vitro Cc1nnsc1C(=O)Nc1ccccc1C#N 154759 LKHMAXJIHDMWMN-UHFFFAOYSA-N 244.279 1.971 30 30 BDEC C=C(CC[C@@H](C)C(=O)OC)C(=O)OC 6036195 SUISJNPVANLQPB-MRVPVSSYSA-N 200.234 1.305 30 30 BDEC in-vitro C#CCSc1nc(C)c(CCC)c(=O)[nH]1 13467699 XUSWZLVIPADYNG-UHFFFAOYSA-N 222.313 1.756 30 30 BDEC CCOc1cccc(C=NN(C)C)c1O 379864746 NPMVTKDTYQHDLB-UHFFFAOYSA-N 208.261 1.686 30 30 BDEC C=CCC1(CO)CN(C(=O)OC(C)(C)C)C1 307398658 UMLDFVRBFXMCLB-UHFFFAOYSA-N 227.304 1.792 30 30 BDEC N#CCc1ccc([N+](=O)[O-])cc1C(=O)O 1578017 NPFAMTRBOLBFAX-UHFFFAOYSA-N 206.157 1.359 30 30 BDEC C=C(C(=O)OC)[C@@H](O)c1ccc(F)c(F)c1 19835297 KISCTUFLCNKUOR-SNVBAGLBSA-N 228.194 1.727 30 30 BDEC in-vitro CCCCCCCCN(CCN)CCN 108970553 NAPBLZKQMLMWHK-UHFFFAOYSA-N 215.385 1.566 30 30 BDEC Cc1ccc([N+](=O)[O-])cc1COS(C)(=O)=O 66322392 TXWOZXPYUCCQFK-UHFFFAOYSA-N 245.256 1.379 30 30 BDEC CC(=NO)[C@@H]1CN(Cc2ccccc2)CCO1 242718259 XHJCYRIQWZMLHM-ZDUSSCGKSA-N 234.299 1.738 30 30 BDEC N#CCCS(=O)(=O)c1ccccc1F 2150501 SNIYBIZRVFEKFX-UHFFFAOYSA-N 213.233 1.513 30 30 BDEC N#Cc1cccc(CSc2ncnc(N)n2)c1 164680 DHDBVQMCGNKKNK-UHFFFAOYSA-N 243.295 1.618 30 30 BDEC C[C@@H](CS)C(=O)OCc1ccco1 33611067 FOOVFONKSXVRGG-ZETCQYMHSA-N 200.259 1.889 30 30 BDEC C=CCOC(=O)[C@H]1O[C@@H](OCC)CS1 39100500 AUVKVSXJYWYMDX-APPZFPTMSA-N 218.274 1.168 30 30 BDEC C=C[C@H](C)N1C(=O)c2ccccc2C1=O 166559 HFXXCZWZDXSDIS-QMMMGPOBSA-N 201.225 1.857 30 30 BDEC COc1cc2c(cc1OC)CC(/C(N)=N\O)C2 6017823 SLGWCFWQWDZEBX-UHFFFAOYSA-N 236.271 1.165 30 30 BDEC CNC(=S)N/N=C/c1ccc(Cl)cc1 172089 KNTLKQWLUICMMA-WUXMJOGZSA-N 227.720 1.768 30 30 BDEC Cn1nc(-c2ccccc2)c(C=NO)c1O 254519591 CFXGSIYPHVPXOA-UHFFFAOYSA-N 217.228 1.601 30 30 BDEC CCOC(=O)C#Cc1cccc(OC)c1 95629853 JIZYMAWJGKYVBG-UHFFFAOYSA-N 204.225 1.610 30 30 BDEC CN(C)/C=N/C(=O)NCc1cccs1 4300258 DWIALDROTMYCKL-YRNVUSSQSA-N 211.290 1.548 30 30 BDEC CN(C)/C=N/c1ccccc1[C@@H]1C=NNC1=O 100239540 BTKUDIQHBQWYFJ-XNFYSYIQSA-N 230.271 1.107 30 30 BDEC N#Cc1cncnc1OCC(F)(F)F 306167759 FDSNNCNIHQCRNU-UHFFFAOYSA-N 203.123 1.289 30 30 BDEC C#CCOc1ccc(OCC)c(C=O)c1 5653805 WHMCPWWKZKKUPM-UHFFFAOYSA-N 204.225 1.910 30 30 BDEC C#CC[C@@]1(OC(=O)CC)CCN(C)C[C@H]1C 396139511 JHUQRNPDXBHQGO-DGCLKSJQSA-N 223.316 1.673 30 30 BDEC CCc1ccc2c(c1)/C(=N\NC)C(=O)N2 39100862 PCIJFVLIOBTVMO-UHFFFAOYSA-N 203.245 1.125 30 30 BDEC CC1(C)OB(c2cnc3ocnc3c2)OC1(C)C 206070147 CZVHDFSAPSHKKL-UHFFFAOYSA-N 246.075 1.522 30 30 BDEC Cc1c(-c2ccncc2)cc(C#N)c(=O)n1C 5159655 QFXODFMMECIZAR-UHFFFAOYSA-N 225.251 1.627 30 30 BDEC CC(=NOC[C@H](O)CNC(C)(C)C)C1CC1 309151647 IYQDIWRBEQWANY-LLVKDONJSA-N 228.336 1.538 30 30 BDEC N#Cc1c(Cl)nc(Cl)c2c1CCNC2 220518929 BSOKYSUAVMLLIO-UHFFFAOYSA-N 228.082 1.906 30 30 BDEC CCCC[C@@]1(CC)C(=O)N(O)C(=O)N=C1O 65735084 XTYFQEJEVVILMF-SNVBAGLBSA-N 228.248 1.881 30 30 BDEC in-vitro CC(C)(C)OC(=O)Nc1n[nH]cc1C#N 39093441 NFSOMNDWWWLOTP-UHFFFAOYSA-N 208.221 1.628 30 30 BDEC C[C@H](CN(C)C(=O)OC(C)(C)C)/C(N)=N\O 54138828 IQFCEJTWEISRPL-SSDOTTSWSA-N 231.296 1.236 30 30 BDEC in-vitro CCCCCCCCC(CO)(CO)[N+](=O)[O-] 115274293 LCQJXQRVOVCCQY-UHFFFAOYSA-N 233.308 1.737 30 30 BDEC CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2O[C@H]2C1 307598868 PYZCXLIAMPGJIB-HLTSFMKQSA-N 213.277 1.831 30 30 BDEC CS(=O)(=O)OCCC1Cc2ccccc2C1 96347826 PVRRJSAZSKKAFB-UHFFFAOYSA-N 240.324 1.768 30 30 BDEC CC(=O)/N=C1\NC(=O)/C(=C\c2cccs2)N1C 12367870 WRJWJQPNKGKEJD-RMKNXTFCSA-N 249.295 1.053 30 30 BDEC CN(C)C=C(C(=O)c1ccccc1)n1cncn1 2265269902 GBVHLGAGVQFALP-UHFFFAOYSA-N 242.282 1.521 30 30 BDEC C/C(=N\NC1=NCCCN1)c1ccc(F)cc1 150244 AFJHJGCWYUXSQM-CXUHLZMHSA-N 234.278 1.489 30 30 BDEC CC(F)(F)C(C)(C)COS(C)(=O)=O 521398992 MUMRBBLRCRKMHM-UHFFFAOYSA-N 216.249 1.644 30 30 BDEC Cc1cccc(OC[C@H](O)/C=[N+](\[O-])C(C)C)c1 195811543 NUEFSMFFEYUZGI-UGMNDJHYSA-N 237.299 1.724 30 30 BDEC CS/C(=N\C#N)NCc1cccnc1 16010453 VCQFVMYUNDNYGZ-UHFFFAOYSA-N 206.274 1.371 30 30 BDEC CN/C(=N/c1cc(C)c(C)cc1C)NN 3045834 LTSGCDWZJKTKCG-UHFFFAOYSA-N 206.293 1.282 30 30 BDEC CCOC(=O)C(C#N)=NNc1ccc(C)cc1 252618651 LJJWDVKQLWYWDW-UHFFFAOYSA-N 231.255 1.850 30 30 BDEC CSc1nc(-c2ccccn2)nc(N)c1C#N 77434 LWEDAIZMWCWTHM-UHFFFAOYSA-N 243.295 1.714 30 30 BDEC CCO[C@@]12N=C(C)CC[C@@]1(C#N)CCO2 135728689 DPKYVDAYUDDCJY-QWRGUYRKSA-N 208.261 1.862 30 30 BDEC C=CCOc1cccc(CCNC(N)=O)c1 143035777 PUXFZNUCYFEYQA-UHFFFAOYSA-N 220.272 1.462 30 30 BDEC CN(N=O)[C@H](CCC=O)c1cccnc1 5318393 FRJHUNPWTKLYGL-SNVBAGLBSA-N 207.233 1.715 30 30 BDEC in-vitro CCCCCCCCOc1nc(N)nc(N)n1 95864227 IRHDBABFPRZYDY-UHFFFAOYSA-N 239.323 1.775 30 30 BDEC CC1=Cc2ccc(C)c(N)c2C(=O)C1=O 39096305 LAUXVNLQTBBRHI-UHFFFAOYSA-N 201.225 1.746 30 30 BDEC C#CCNC1=NC(=O)[C@@](C)(c2ccccc2)O1 6067246 NCQYYDFBEVBHEA-CYBMUJFWSA-N 228.251 1.037 30 30 BDEC C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#N 260510424 NZYARUVJKPPVIN-CABZTGNLSA-N 239.319 1.484 30 30 BDEC N#Cc1cc(Br)cc(C(N)=O)c1 95930393 MVZRYDWFBXNCIF-UHFFFAOYSA-N 225.045 1.420 30 30 BDEC N#Cc1ccc(N2CCC3(CC2)OCCO3)cc1 39271873 FGMYNGSWRAOYSV-UHFFFAOYSA-N 244.294 1.902 30 30 BDEC C=CCOC(=O)NCCCCC(=O)O 70587643 JVMLZIQZHFOYON-UHFFFAOYSA-N 201.222 1.154 30 30 BDEC CS(=O)(=O)OCCCCCBr 115743551 FTMFATFQORBSPT-UHFFFAOYSA-N 245.138 1.528 30 30 BDEC Cc1ccccc1CN1CCO[C@@H](C#N)C1 106311798 OBFGLZJBVNPRQH-ZDUSSCGKSA-N 216.284 1.719 30 30 BDEC C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2C 100270822 AUHQRTFXZKGZHG-VPJKUYQRSA-N 210.273 1.511 30 30 BDEC COC(=O)[C@@H]1CC(=NO)c2ccccc21 242592204 OMGZOHFJDXEXSS-SECBINFHSA-N 205.213 1.525 30 30 BDEC CC(C)=NN/C(N)=N/C(=S)Nc1ccccc1 20458811 FWFDSNTZHZXYAD-UHFFFAOYSA-N 249.343 1.684 30 30 BDEC COc1cc(OC[C@@H]2CO2)cc(OC)c1OC 38171470 DMPSZPVEKHHIBR-SECBINFHSA-N 240.255 1.490 30 30 BDEC CN(C(=O)CC#N)C(=O)Nc1ccccc1 21987737 XCDSTZPYNFMCGC-UHFFFAOYSA-N 217.228 1.591 30 30 BDEC COCCOc1ccc(C(C)=NO)cc1OC 381605697 PLRRKXIAYZAXDU-UHFFFAOYSA-N 239.271 1.919 30 30 BDEC O=C1C=CC(=O)C(COc2ccccc2)=C1 85880536 SWNCJNQLRHPSSP-UHFFFAOYSA-N 214.220 1.700 30 30 BDEC COCC(=O)c1ccc(OC[C@@H]2CO2)cc1 22062340 CIMRBEXZDRADEV-LLVKDONJSA-N 222.240 1.293 30 30 BDEC in-vitro CN(C)/C=N/c1ncc(Cl)nc1C#N 149806573 ITYAEZSQCVMLEE-LFYBBSHMSA-N 209.640 1.223 30 30 BDEC CC[C@@]1(C=O)COCCN1C(=O)OC(C)(C)C 2265384956 KYUXHRKROUFBMH-GFCCVEGCSA-N 243.303 1.601 30 30 BDEC NC(=S)N/N=C1\CCOc2ccc(F)cc21 13659180 HXKWAELQRFLXMG-MDWZMJQESA-N 239.275 1.146 30 30 BDEC CCC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O 28957896 OBAQKTCGMNMTBN-UHFFFAOYSA-N 244.250 1.179 30 30 BDEC COc1ccc(=O)n(Cc2ccc(C#N)cc2)n1 134510038 KNHQTIITPUUREJ-UHFFFAOYSA-N 241.250 1.172 30 30 BDEC N#Cc1ccc(Cn2cncc2CO)cc1 45368822 ACFSBQWDVYWNRT-UHFFFAOYSA-N 213.240 1.295 30 30 BDEC in-vivo N#C[C@@H](C1CCCCC1)N1CCOCC1 34797515 YAFQGLVHJYKWFC-LBPRGKRZSA-N 208.305 1.791 30 30 BDEC CNC(=O)Oc1ccc(/N=C/N(C)C)c(C)c1 5765168 NPCUJHYOBSHUJJ-RIYZIHGNSA-N 235.287 1.935 30 30 BDEC CC(C)c1c(C#N)cn2nc[nH]c(=O)c12 140484228 JMPIZLPCRICTDE-UHFFFAOYSA-N 202.217 1.018 30 30 BDEC CON=CC(C#N)=NNc1ccc(F)cc1 254346956 CSFLGSOXYCWIQF-UHFFFAOYSA-N 220.207 1.749 30 30 BDEC O=S1(=O)CCC(=NO)c2ccsc21 254440057 KXOYVFLDMXQWAI-UHFFFAOYSA-N 217.271 1.104 30 30 BDEC C#C[C@]1(O)CCC[C@@H]2[C@@H]1CCC[C@]2(O)C#C 39098022 GVELUNOZGLKLGT-KPWCQOOUSA-N 218.296 1.315 30 30 BDEC C/C(=N\N=C1NCCN1)c1ccc(C)cc1 150257 VKCHTSGKICKEHA-XNTDXEJSSA-N 216.288 1.268 30 30 BDEC CS(=O)(=O)ON=C1CCCc2ccccc21 254485660 JKPRYLNCYFMBBM-UHFFFAOYSA-N 239.296 1.703 30 30 BDEC CC(=NOCC(=O)O)c1ccc2c(c1)OCO2 252497894 HEHGIGQYINOBGR-UHFFFAOYSA-N 237.211 1.241 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C1 139507592 BBYHDIQXIHCULS-SNVBAGLBSA-N 239.319 1.499 30 30 BDEC CS(=O)(=O)c1cccc(Cl)c1C#N 95347618 GIYQFIWMLBANSP-UHFFFAOYSA-N 215.661 1.615 30 30 BDEC in-vitro CC(C)[C@@H](C=O)CNC(=O)OC(C)(C)C 98209736 FCTUHRCTKMXYGY-SECBINFHSA-N 215.293 1.982 30 30 BDEC in-vitro C#C[C@H]1CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 225777501 RNMXLCQSOUOFEK-DTWKUNHWSA-N 239.271 1.472 30 30 BDEC COC/C(N)=N/c1cccc([C@H](C)N)c1C 39110390 PQIMZXGHROTQAI-VIFPVBQESA-N 221.304 1.650 30 30 BDEC C=CCN[C@H](Cc1ccccc1)C(=O)OCC 51961936 TWFWCAATTPKCGI-CYBMUJFWSA-N 233.311 1.936 30 30 BDEC in-vitro CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 2015547 ITEQSCBLCCNACE-UHFFFAOYSA-N 211.261 1.958 30 30 BDEC CC(=NOC(=O)c1ccco1)c1cnccn1 254480695 FJDPBUAAEJPCLQ-UHFFFAOYSA-N 231.211 1.651 30 30 BDEC CC(=O)/C(=N\O)C(=O)Nc1cccc(Cl)c1 106488705 JQNIVPVWBXPUTJ-UKTHLTGXSA-N 240.646 1.698 30 30 BDEC O=C[C@H]1CC1(Br)Br 196441342 UDQZVPAQYKKCTM-GSVOUGTGSA-N 227.883 1.691 30 30 BDEC CC(C)c1nc2ccnn2c(N)c1C#N 39118769 VBOJTHBKHLSMGM-UHFFFAOYSA-N 201.233 1.307 30 30 BDEC N#Cc1cc2c(OC[C@@H]3CO3)cccc2[nH]1 36438934 WANDYUHWUAJSBK-VIFPVBQESA-N 214.224 1.817 30 30 BDEC N#Cc1cccc(-c2nc(C(=O)O)no2)c1 71047857 CXEHYAKXSRNEEZ-UHFFFAOYSA-N 215.168 1.306 30 30 BDEC in-vitro C#C[C@]1(O)CCC[C@@H]2[C@H]1CCC[C@@]2(O)C#C 396135868 GVELUNOZGLKLGT-MQYQWHSLSA-N 218.296 1.315 30 30 BDEC C=C(CN1CCSC(C)(C)C1)OC 307634869 UHYKNLRTQXBKEW-UHFFFAOYSA-N 201.335 1.974 30 30 BDEC N#Cc1cc(C(=O)O)cc(C(F)(F)F)n1 95766105 UGLIPVLYKLHYCT-UHFFFAOYSA-N 216.118 1.670 30 30 BDEC Cc1ccc(S(=O)(=O)O[C@H](C)C(=O)O)cc1 11888142 QXYOROBKCZWFKK-MRVPVSSYSA-N 244.268 1.173 30 30 BDEC CC1(C)OB(c2ccc(F)c(F)n2)OC1(C)C 307133103 MNGOWZUESPROMS-UHFFFAOYSA-N 241.046 1.659 30 30 BDEC C#CCOCOc1cccc(OC(=O)NC)c1 2017356 RZSKBLLMNZPTPM-UHFFFAOYSA-N 235.239 1.391 30 30 BDEC N#CC(C#N)=NNc1cc(F)cc(F)c1 112466 MGCWDRXPAVOFTB-UHFFFAOYSA-N 206.155 1.780 30 30 BDEC OCC/N=C(/S)NCc1ccccc1 13658951 HSEMXRYQVOHIOO-UHFFFAOYSA-N 210.302 1.054 30 30 BDEC CNC(=S)N/N=C(\C)c1ccccc1 4693435 OBIGTWHPKCCAQH-XYOKQWHBSA-N 207.302 1.505 30 30 BDEC C=C1C(=O)O[C@@H]2[C@H]1C(=O)O[C@@H]2CCCCCC 139212895 AENZSPQGLJVLND-VWYCJHECSA-N 238.283 1.980 30 30 BDEC CN(C)c1c(F)cc(/C(N)=N/O)cc1F 4306159 VBEGQPRFZDALLL-UHFFFAOYSA-N 215.203 1.125 30 30 BDEC C1[C@@H]2O[C@H]2[C@@H]2[C@@H]1[C@@H]1C[C@@H]2C[C@H]1OC[C@@H]1CO1 267326117 HGXWGDPXIFBZIA-ACBOCGGCSA-N 222.284 1.214 30 30 BDEC O=S1(=O)O[C@](F)(Cl)[C@]1(F)Cl 144700058 KWRQXDXVZPBVQK-NHYDCYSISA-N 212.988 1.071 30 30 BDEC N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)O)c1 61447077 ZLNDUOFDNMCDSU-LLVKDONJSA-N 244.250 1.134 30 30 BDEC N#Cc1cccc(Cc2ccc(N)nn2)c1 21300605 JFQPJXJTVICMEL-UHFFFAOYSA-N 210.240 1.521 30 30 BDEC CC1(C)OB(c2cnc3c(c2)OCC3)OC1(C)C 307463782 GTMNBFXHUBYVDM-UHFFFAOYSA-N 247.103 1.316 30 30 BDEC C=CC[C@@H](N)CNC(=O)OC(C)(C)C 238166580 HKBVBVQEOHHOEG-MRVPVSSYSA-N 200.282 1.415 30 30 BDEC N#Cc1cc(F)cc(N2CCOCC2)c1 34455465 WGXOQDYGOKYNBP-UHFFFAOYSA-N 206.220 1.534 30 30 BDEC in-vitro C#CCNC1=NC(=O)[C@](C)(c2ccccc2)O1 6032021 NCQYYDFBEVBHEA-ZDUSSCGKSA-N 228.251 1.037 30 30 BDEC C=CCNC(=O)NC(C)(C)C(=O)OC(C)(C)C 1202578174 PUKZXOXCWPZURL-UHFFFAOYSA-N 242.319 1.592 30 30 BDEC CC(F)(F)CCCOS(C)(=O)=O 116670882 GBOCSVPVBRVTKA-UHFFFAOYSA-N 202.222 1.398 30 30 BDEC N#Cc1ccc(-c2nnc3ccncc3n2)cc1 26496831 KVYRBRIPUAHYGR-UHFFFAOYSA-N 233.234 1.958 30 30 BDEC C=C(C)C(=O)OCC#CCOC(=O)C(=C)C 5158177 LFWWWRPUVDIHKC-UHFFFAOYSA-N 222.240 1.228 30 30 BDEC C=CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 101557346 RIFVOZMNMXQIHB-UHFFFAOYSA-N 248.286 1.298 30 30 BDEC C=CC[C@H](N)CNC(=O)OC(C)(C)C 238153276 HKBVBVQEOHHOEG-QMMMGPOBSA-N 200.282 1.415 30 30 BDEC N#Cc1ccc2c(c1)[C@H](CC(=O)O)CN2 34415220 UCNXGJHRULIFAX-MRVPVSSYSA-N 202.213 1.542 30 30 BDEC N#CCN(CC#N)C(=O)c1ccc(Cl)cc1 139381 CZMNLGYPQXXPLW-UHFFFAOYSA-N 233.658 1.829 30 30 BDEC CCOC1=CC=CN2C(CC#N)=C(C)N[C@H]12 100133502 XTWQYBGPIXBTAH-LBPRGKRZSA-N 217.272 1.811 30 30 BDEC Cc1nc(C#N)ccc1B1OC(C)(C)C(C)(C)O1 306523202 NDMSIJAPUMHFOT-UHFFFAOYSA-N 244.103 1.561 30 30 BDEC C[C@H]1CN(c2ncc(C=NO)s2)C[C@H](C)O1 254393705 ROFRUFGXDYFUTF-YUMQZZPRSA-N 241.316 1.565 30 30 BDEC CCOC(=O)[C@@H](C#N)c1ccccc1F 2530100 CSTOKYOKTOJYOX-VIFPVBQESA-N 207.204 1.996 30 30 BDEC in-vitro N#Cc1ccc(F)c(N2CCNCC2)c1 96314442 HZKVZPSWCXZLNN-UHFFFAOYSA-N 205.236 1.107 30 30 BDEC CC(CCS(=O)(=O)c1ccccc1)=NO 254568481 HCPYXACPFYDPJC-UHFFFAOYSA-N 227.285 1.701 30 30 BDEC CS(=O)(=O)OCC1CC2(CCC2)C1 584880141 RCHYGUROGDCUDI-UHFFFAOYSA-N 204.291 1.543 30 30 BDEC C=CCn1c(C(=O)O)cc2c(OC)ncnc21 669371686 PZDPMNBYXRZDMW-UHFFFAOYSA-N 233.227 1.324 30 30 BDEC C=C(C(=O)OC)[C@H](O)c1ccc(C)cc1 19836272 HCEAAUGYFOIOEH-NSHDSACASA-N 206.241 1.758 30 30 BDEC CCOC(=O)/C(=N/Nc1ccccc1)C(=O)O 220232513 OJLWJXMKGHKCCF-UKTHLTGXSA-N 236.227 1.102 30 30 BDEC C[C@H](CS)C(=O)OCc1ccco1 33611068 FOOVFONKSXVRGG-SSDOTTSWSA-N 200.259 1.889 30 30 BDEC CC(=O)c1nn(-c2ccccc2)cc1C#N 159256 QKPGZEYGMRUOKJ-UHFFFAOYSA-N 211.224 1.947 30 30 BDEC ON=Cc1cc2c(cc1Br)OCO2 254301427 LDVWAWRHAYQDDA-UHFFFAOYSA-N 244.044 1.986 30 30 BDEC C/C(=N\NC1=NCCCN1)c1ccc(C)cc1 150236 RMCXAINFWKIYIC-LFIBNONCSA-N 230.315 1.658 30 30 BDEC C#C[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C 39093596 ZZYCHWANMWNDOH-BDAKNGLRSA-N 211.261 1.302 30 30 BDEC N#CCc1ncc(Br)cc1N 95642103 XPNAYEYTCMRSNP-UHFFFAOYSA-N 212.050 1.492 30 30 BDEC COC(=O)CCN(CCC#N)c1ccccc1 5141045 CWCYJRVQCBCDTJ-UHFFFAOYSA-N 232.283 1.970 30 30 BDEC N=C(N)NN=Cc1ccc(Cl)cc1Cl 8616013 WDPPSRUIMSQVFX-UHFFFAOYSA-N 231.086 1.810 30 30 BDEC N/C(=N\O)c1ccc(-c2csnn2)cc1 4389501 DVEZTLRLNKZLTE-UHFFFAOYSA-N 220.257 1.300 30 30 BDEC CC[C@]1(c2ccccc2)OC[C@H](C=O)O1 39101136 AANBXGCWVCUGAQ-RYUDHWBXSA-N 206.241 1.864 30 30 BDEC C=CCn1ncc2c(O)nc(Cl)nc21 725242459 HLXPBAQJWMMEBE-UHFFFAOYSA-N 210.624 1.371 30 30 BDEC CC1(C)CC(O)CC(C)(C)N1OCC#N 39109202 ZBMVDLSJGAXICQ-UHFFFAOYSA-N 212.293 1.455 30 30 BDEC CCCCCCCCC(=O)N(CCO)CCO 100049373 WODYOUWSWYOPBP-UHFFFAOYSA-N 245.363 1.550 30 30 BDEC C#CCCC1(O)CN(C(=O)OC(C)(C)C)C1 84351236 KXCJNCFKTGHSFZ-UHFFFAOYSA-N 225.288 1.382 30 30 BDEC C[Si](C/C=N/O)(C/C=N/O)C/C=N/O 195870433 PTGGATCOURLOOA-NFIAOLEHSA-N 217.301 1.445 30 30 BDEC CSc1nnc(SCC#N)s1 3126937 QJQGYDLFLDUOBF-UHFFFAOYSA-N 203.317 1.876 30 30 BDEC C=CCC(F)(F)C(=O)N1CCOCC1 39055358 JLCTZPXMGWXMME-UHFFFAOYSA-N 205.204 1.057 30 30 BDEC N#Cc1ccccc1N1CCC[C@H](N)C1 41030135 ARHNNFGUPRUJAY-NSHDSACASA-N 201.273 1.486 30 30 BDEC in-vitro CS(=O)(=O)OCC1(C#N)CCCCC1 49816363 CSNZAYIVGCVEPN-UHFFFAOYSA-N 217.290 1.437 30 30 BDEC C=C(C)C(=O)O[C@@]1(CC)CCOC(=O)C1 39101605 LEUGGFPZZFKFPA-NSHDSACASA-N 212.245 1.592 30 30 BDEC N#CC(C#N)=NNc1cccc(F)c1C#N 139233 ZDZOUFNPCXIXMK-UHFFFAOYSA-N 213.175 1.512 30 30 BDEC CC(=O)C(=NO)C(=O)Nc1ccccc1 254403999 UWYXIAWYMDVVGK-UHFFFAOYSA-N 206.201 1.044 30 30 BDEC O=C(C=NO)Nc1ccc(F)cc1F 254850769 DIAMOYGBZASPQT-UHFFFAOYSA-N 200.144 1.363 30 30 BDEC CC(C)(C)OC(=O)N1CCO[C@H](CS)C1 1535950097 UVNPTRFGFZTHFV-QMMMGPOBSA-N 233.333 1.552 30 30 BDEC COC(=O)N1C=C(C(=O)C(F)(F)F)CCC1 201046590 FRIWAWQSGQHMKL-UHFFFAOYSA-N 237.177 1.864 30 30 BDEC N#Cc1cc(OC(F)(F)F)cnc1F 238598276 BVYLGAAWAMCMSW-UHFFFAOYSA-N 206.098 1.991 30 30 BDEC N#C[C@H]1C[C@H]2[C@@H](O)CC[C@H]1N2Cc1ccccc1 207597940 XVJZMHJFKGAQGC-KBXIAJHMSA-N 242.322 1.924 30 30 BDEC Cc1cc(-c2onc(C)c2/C(N)=N/O)no1 4394547 XCGDVCAMYBNYIR-UHFFFAOYSA-N 222.204 1.041 30 30 BDEC Cc1ccccc1/C=N/NC1=NC(=O)CCS1 13146868 VOOXXBSSKCXNNS-MDWZMJQESA-N 247.323 1.938 30 30 BDEC COC(=O)c1scc(C#N)c1/N=C/N(C)C 4344800 JPIDWKVOVOTHSC-WUXMJOGZSA-N 237.284 1.628 30 30 BDEC CCC[C@@H](O)[C@]1(C)OC(C)=C(O)C1=O 5842774 NOYLNCIBDODDPI-XCBNKYQSSA-N 200.234 1.295 30 30 BDEC CC1=C(C#C[C@H](C)O)C(C)(C)C[C@H](O)C1 14587985 PJYBCOAMCYWPHQ-WDEREUQCSA-N 208.301 1.868 30 30 BDEC CCC[C@H](O)[C@]1(C)OC(C)=C(O)C1=O 5839446 NOYLNCIBDODDPI-XVKPBYJWSA-N 200.234 1.295 30 30 BDEC CC(C)(C)NC(=S)N/N=C/c1cccnc1 13658752 NKETYSHGWZTVSC-MDWZMJQESA-N 236.344 1.678 30 30 BDEC Cc1cc(C)c(N/C(=N\N)N(C)C)cc1C 4382156 ZMXSKRLCHPGLRC-UHFFFAOYSA-N 220.320 1.815 30 30 BDEC N#Cc1nccc(Br)c1F 214884042 FJPDMTFIUSFKPD-UHFFFAOYSA-N 200.998 1.855 30 30 BDEC COc1cccc(C(=O)/C=C2\NC(=O)CS2)c1 12341195 SSGJXDNWKWGTOK-WUXMJOGZSA-N 249.291 1.582 30 30 BDEC N#Cc1c(N)[nH]c(Br)c1C#N 34215 YOKMIDCZQYUXOI-UHFFFAOYSA-N 211.022 1.103 30 30 BDEC COc1cc(OC)c(OC)cc1CC#N 75614062 VVLKVOLUZLTUAF-UHFFFAOYSA-N 207.229 1.778 30 30 BDEC C#CCSc1nc(O)c(CCCC)c(O)n1 8648789 WLQQWWXTNSBSSX-UHFFFAOYSA-N 238.312 1.956 30 30 BDEC CC(C)COCCOCCOC[C@H]1CO1 38171403 YZVDZGBALSHCNY-NSHDSACASA-N 218.293 1.091 30 30 BDEC N#Cc1cccc(C(=O)NCC2(CO)CC2)c1 49029952 ZDVUNBGYYWQMMS-UHFFFAOYSA-N 230.267 1.061 30 30 BDEC CCO[C@H](/C(N)=N/O)c1ccc(C)cc1 5650831 XGBFTTXQYMVCNM-JTQLQIEISA-N 208.261 1.819 30 30 BDEC CN(C)/C=C/C(=O)c1cc(F)ccc1O 140080 ORGUJABCFROMBU-AATRIKPKSA-N 209.220 1.789 30 30 BDEC N#Cc1ccc(-n2cc(C#N)c(N)n2)c(F)c1 62151942 SYYVQHYAQNIJAY-UHFFFAOYSA-N 227.202 1.337 30 30 BDEC in-vitro CN(C)C=CC(=O)c1cnc2ccccn12 2265310953 PUMYPORBYBAZNV-UHFFFAOYSA-N 215.256 1.592 30 30 BDEC NC(=S)N/N=C/c1cc(F)cc(F)c1 110595 MMIVIBBXJVBNDR-UUILKARUSA-N 215.228 1.132 30 30 BDEC COC1=CC(=O)c2cccc(O)c2C1=O 13335510 HOFSOQDUZIZMBA-UHFFFAOYSA-N 204.181 1.302 30 30 BDEC biogenic,in-vitro C=C[C@](C)(CCCC(C)(C)O)C[C@@H](O)CO 22005337 XVLSCNBCEDRLQV-DGCLKSJQSA-N 230.348 1.863 30 30 BDEC CCCCCCCCNCCNCCN 103824343 YBUMEUMBIWOBBF-UHFFFAOYSA-N 215.385 1.485 30 30 BDEC CC(C)(C)OC(=O)N[C@@H](C=O)CC(F)F 140191921 WKCCIGQNRRYJKN-ZCFIWIBFSA-N 223.219 1.734 30 30 BDEC N#C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 82158924 QPSJIQOAWUFZJA-LBPRGKRZSA-N 246.266 1.548 30 30 BDEC in-vitro Cn1cc(CO)c(-c2ccc(C#N)cc2)n1 95347739 HTFIXRFWCOYRJM-UHFFFAOYSA-N 213.240 1.451 30 30 BDEC in-vitro NC(=S)N/N=C1\C=Cc2ccccc2C1=O 100450554 XOPQPXXAHRNMCF-UKTHLTGXSA-N 231.280 1.085 30 30 BDEC N#Cc1cccc(Nc2ncnc(N)n2)c1 90026 SMRDGQILLUVKEC-UHFFFAOYSA-N 212.216 1.069 30 30 BDEC C=CCOC(=O)[C@H](N)CCC(=O)OC(C)(C)C 38202239 NXCBQSGSQJTRJK-SECBINFHSA-N 243.303 1.165 30 30 BDEC COc1cc(C[C@@](C)(C#N)NC(C)=O)ccc1O 5197050 LWNXUHPNXYVCQA-ZDUSSCGKSA-N 248.282 1.362 30 30 BDEC CC(C)(C)OC(=O)N1CCO[C@@H](CS)C1 1535950096 UVNPTRFGFZTHFV-MRVPVSSYSA-N 233.333 1.552 30 30 BDEC C=CCOCc1cc(N)ccc1OCCO 72191347 MNGWSFCHPFLUOB-UHFFFAOYSA-N 223.272 1.343 30 30 BDEC O=[N+]([O-])c1ccc(C=NO)c([N+](=O)[O-])c1 263613051 YVCGJBIQVLGPRJ-UHFFFAOYSA-N 211.133 1.311 30 30 BDEC C=C(I)CC(=O)O 138079998 RJISKXKJXKBIPT-UHFFFAOYSA-N 211.986 1.410 30 30 BDEC Cc1ccccc1NN=C1CCCNC1=O 254706079 IDMYZZXLGGLCOS-UHFFFAOYSA-N 217.272 1.673 30 30 BDEC COC(=O)c1coc(-c2cccc(C#N)c2)n1 95347839 KJKNBDLOJVEXGD-UHFFFAOYSA-N 228.207 2.000 30 30 BDEC in-vitro N=C(NOC(=O)c1ccccc1)c1cc[nH]n1 15885120 RYEZJPYQGJRCNM-UHFFFAOYSA-N 230.227 1.097 30 30 BDEC N=C(NO)NN=Cc1ccc2ccccc2n1 263593254 BAXPRFLTVSGJJV-UHFFFAOYSA-N 229.243 1.072 30 30 BDEC CC(C)(C)OC(=O)N1CCC(=NO)C1 254296929 VGGFRVVFQKZXFV-UHFFFAOYSA-N 200.238 1.457 30 30 BDEC N#Cc1ccc(OC2CCC(N)CC2)nc1 55143586 YPULTNFCCDTPKQ-UHFFFAOYSA-N 217.272 1.602 30 30 BDEC in-vitro Cc1ccc(O)c(/C=N/Nc2ncccn2)c1 514285436 SDUSFLUTXDNVKX-OVCLIPMQSA-N 228.255 1.937 30 30 BDEC COC(=O)/C(Cl)=N\Nc1cccc(OC)c1 100333835 ZLHIFGKYLOUABG-UKTHLTGXSA-N 242.662 1.832 30 30 BDEC Cc1n[nH]c(N/N=C/c2ccccc2)c1C(=O)O 4301395 RRBIVIYTKPJENJ-NTUHNPAUSA-N 244.254 1.862 30 30 BDEC CCn1nccc1[C@@H]1OCCC[C@H]1C=O 399515636 AOEVZGBNFRUFMW-GXSJLCMTSA-N 208.261 1.570 30 30 BDEC CC(C)(C)OC(=O)N[C@@H](/C(N)=N/O)C1CC1 68583808 MIQKGBPSRXWZHV-SSDOTTSWSA-N 229.280 1.036 30 30 BDEC in-vitro Cn1cc([C@@H]2[C@@H](C#N)CC(=O)N2C(C)(C)C)cn1 407975856 GMDWLJGACLJDNT-SKDRFNHKSA-N 246.314 1.632 30 30 BDEC C#CC[C@@]1(OC(C)=O)CCN(C)C[C@@H]1CC 39102426 QPSFQMZFAPJFBD-QWHCGFSZSA-N 223.316 1.673 30 30 BDEC CC1(C)OC/C(=C\C(=O)C(F)(F)F)O1 117695293 KLRZCGOQZZNVRA-HWKANZROSA-N 210.151 1.785 30 30 BDEC C/C(=N\N=C1NCCN1)c1ccc(F)cc1 12339051 CJSKSMLEANLTMU-OVCLIPMQSA-N 220.251 1.099 30 30 BDEC CN(C)[C@H]1CCCN(c2ccc(C#N)c(N)c2)C1 94591156 ZUAZRPHLFATPSY-ZDUSSCGKSA-N 244.342 1.671 30 30 BDEC C=C1SC(NC(=O)OCC)=N[C@H]1C 39123769 METDHBRKVNVWOH-YFKPBYRVSA-N 200.263 1.738 30 30 BDEC N#CCc1ccncc1I 44371488 CGIWUSNKZVMZKJ-UHFFFAOYSA-N 244.035 1.752 30 30 BDEC CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 15169273 VYKLRWGPNUVKNC-IRIVYCKASA-N 224.300 1.840 30 30 BDEC biogenic,in-vitro N#Cc1ccc(CN2CCC[C@@H](C(=O)O)C2)cc1 8699140 UEMDENVMSXQGAJ-CYBMUJFWSA-N 244.294 1.855 30 30 BDEC COc1cc(C)ncc1B1OC(C)(C)C(C)(C)O1 306764346 KFYJFFGXYLILKA-UHFFFAOYSA-N 249.119 1.698 30 30 BDEC COC1=CC(=O)c2c(OC)cc(OC)cc2C1=O 14815397 PFRXZICTHLYYGK-UHFFFAOYSA-N 248.234 1.613 30 30 BDEC CCOC(=O)C#Cc1cccc([N+](=O)[O-])c1 95934430 BDBUSSJVLJJIDV-UHFFFAOYSA-N 219.196 1.509 30 30 BDEC CC1(C)CC(=O)C(Br)=C(N)C1 196779869 OSZBFYXZPCAKFN-UHFFFAOYSA-N 218.094 1.941 30 30 BDEC CCOC(=O)[C@]1(CCC#N)CCCCC1=O 37632004 JPLIBLZLHLCMQS-LBPRGKRZSA-N 223.272 1.983 30 30 BDEC C=C(CN1CCCCC1=S)C(=O)OCC 45817744 GZPUJNGTTGQOEO-UHFFFAOYSA-N 227.329 1.919 30 30 BDEC N#Cc1ccc(NC2CCNCC2)nc1 37116594 VNZQNHCTEPNRGF-UHFFFAOYSA-N 202.261 1.117 30 30 BDEC in-vitro CON=Cc1c(-c2ccccc2)nn(C)c1O 263628050 LFPHNEQZEHQTQT-UHFFFAOYSA-N 231.255 1.773 30 30 BDEC C1O[C@@H]1CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@H]3C[C@@H]12 256445946 NJBGVARMYOOVSX-PLMFTYDBSA-N 222.284 1.214 30 30 BDEC C#CC[C@]1(OC(=O)CC)CCN(C)C[C@@H]1C 39110605 JHUQRNPDXBHQGO-AAEUAGOBSA-N 223.316 1.673 30 30 BDEC N#Cc1ccc2c(c1)[C@@H](CC(=O)O)CN2 34415221 UCNXGJHRULIFAX-QMMMGPOBSA-N 202.213 1.542 30 30 BDEC N#Cc1sc(C(N)=O)c2c1CCCC2 111467 LQPALUCKRSVKKX-UHFFFAOYSA-N 206.270 1.597 30 30 BDEC CS(=O)(=O)OC[C@H]1CCC(F)(F)C1 216712916 DLQPBMXHHDMBCA-LURJTMIESA-N 214.233 1.398 30 30 BDEC in-vitro COc1cccc(-c2nc(C#N)c(N)o2)c1 111763 KSANBLQOENUBGA-UHFFFAOYSA-N 215.212 1.804 30 30 BDEC [N-]=[N+]=Nc1ccc(C(N)=O)cc1[N+](=O)[O-] 87667478 LWBWHYLJHAZVKW-UHFFFAOYSA-N 207.149 1.636 30 30 BDEC CCCCCCCC(=O)NCCCN 102008568 AZGZCTUTODQNFW-UHFFFAOYSA-N 200.326 1.812 30 30 BDEC COC(=O)c1cnc2[nH]cc(C#N)c2c1 72322745 UFZDSKJOMINCAO-UHFFFAOYSA-N 201.185 1.221 30 30 BDEC ON=C1[C@@H]2[C@H]3/C(=N\O)[C@@H]4[C@H]1[C@H]1C[C@@H]4[C@@H]3[C@H]21 1085283734 SVFZGSIUSSQSRE-JNLWAKMCSA-N 204.229 1.035 30 30 BDEC C[N+](C)(Cc1ccccc1)[C@@H]1CCCCNC1=O 38643964 PVNPGZAWBZZNFW-CQSZACIVSA-O 247.362 1.932 30 30 BDEC N#CC1(c2ccc3c(c2)OCO3)CC2(COC2)C1 135614779 ZVGWEKJUYBOQAS-UHFFFAOYSA-N 243.262 1.987 30 30 BDEC CCO[P@](=O)(O)O[C@H](C)[C@H](C)C#N 263589268 HOGRUXGHFCHCAT-RNFRBKRXSA-N 207.166 1.688 30 30 BDEC COC(=O)[C@H](N)C(C)(C)c1ccc(C#N)cc1 1535854274 PTLUNDVURQDTJB-NSHDSACASA-N 232.283 1.336 30 30 BDEC CC(=O)C#C[Si](C)(C)c1ccccc1 195872340 LSMMMVXQGJUMSO-UHFFFAOYSA-N 202.329 1.734 30 30 BDEC N/C(=N\O)c1ccc(OCc2cccnc2)cc1 19488900 YMUFVUPCVBRWGE-UHFFFAOYSA-N 243.266 1.755 30 30 BDEC in-vitro C[C@H](O)C#Cc1ccc(Br)cn1 117964108 PZBQJYKAIXCGAO-ZETCQYMHSA-N 226.073 1.576 30 30 BDEC C[C@@H](C#N)Oc1cccc(CC(=O)O)c1 43513281 OSCCTSZIXPMGJC-QMMMGPOBSA-N 205.213 1.605 30 30 BDEC C[Si](C)(C)C#Cc1ccc(N)nc1N 202794595 ULLCGVNMSDQYJJ-UHFFFAOYSA-N 205.337 1.475 30 30 BDEC C=CCOc1ccc(Cl)nc1C(=O)O 39947121 MWRQHQWXPUJXNS-UHFFFAOYSA-N 213.620 1.998 30 30 BDEC C[C@H](CNCCC#N)CC(C)(C)CCN 6020398 KMSHUCQEMCGTFX-NSHDSACASA-N 211.353 1.891 30 30 BDEC C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 199207319 OCLGYEARXGFDHM-SSDOTTSWSA-N 215.249 1.239 30 30 BDEC CCOC(=O)[C@@H](C=O)Oc1ccccc1 6403293 NDPVACVAKRDXMA-SNVBAGLBSA-N 208.213 1.196 30 30 BDEC CCn1ccc(=NN=C2C=CC(=O)C=C2)cc1 1070082151 SUFDNTRAABATPK-UHFFFAOYSA-N 227.267 1.460 30 30 BDEC N#Cc1cn(CCc2ccccc2)nc1N 39039866 ZSAXYRYNTXXFRN-UHFFFAOYSA-N 212.256 1.580 30 30 BDEC N#CCS(=O)(=O)Cc1cccs1 125906 BQDKLMWRBGHBKZ-UHFFFAOYSA-N 201.272 1.186 30 30 BDEC C1O[C@@H]1CO[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12 100197266 NJBGVARMYOOVSX-RZNWHZDBSA-N 222.284 1.214 30 30 BDEC CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB(CN)O[C@]21C 238233579 GMWJKKPSKPSEBE-PKIKSRDPSA-N 209.098 1.213 30 30 BDEC N#Cc1cnn2c(Br)c[nH]c12 1554770926 PEMISKHIANWDPP-UHFFFAOYSA-N 211.022 1.297 30 30 BDEC N#C[C@H](C(N)=O)C(=S)Nc1ccccc1 76495 ULIAPGGKPGOHQO-MRVPVSSYSA-N 219.269 1.051 30 30 BDEC NC(=S)N/N=C/c1ccc(F)c(Cl)c1 106674 UQGDADWCJLDNJT-UUILKARUSA-N 231.683 1.646 30 30 BDEC CSC(=S)N/N=C(/C)c1ccnnc1 344353 KRTMXZANFQFZFX-WDZFZDKYSA-N 226.330 1.438 30 30 BDEC CCOC(=O)[C@@H]1O[C@@H]1c1cccc(C)c1 2265381377 CVOYLKPRJOQIAK-GHMZBOCLSA-N 206.241 1.998 30 30 BDEC N#Cc1ccc(CN2C(=O)CSC2=S)cc1 1045148 BUDJLCORRKRSAS-UHFFFAOYSA-N 248.332 1.919 30 30 BDEC COCCOc1cccc(C#CCO)c1 37470802 LKUSMCRRHNBHAF-UHFFFAOYSA-N 206.241 1.056 30 30 BDEC CC(=O)N[C@](C)(C#N)Cc1ccc(O)cc1 263584047 IUDXXXXLDAZPQK-LBPRGKRZSA-N 218.256 1.353 30 30 BDEC COC(=O)c1cc2cc(/C=N/N(C)C)oc2n1C 5669986 CEAFDXCNBRWHJD-NTUHNPAUSA-N 249.270 1.453 30 30 BDEC C#C[C@]1(O)C[C@@H](C)N(C)[C@H]2CCCC[C@@H]21 96332295 OMBITJGEGMMNIO-VOAKCMCISA-N 207.317 1.634 30 30 BDEC C#CC(C)(C)NC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 100234636 UIDQKOBVPFVHFS-DCAQKATOSA-N 234.368 1.827 30 30 BDEC CC1(C)CC(=NO)c2c[nH]c(=N)nc2C1 389205696 GKKRBDVJQSQYFT-UHFFFAOYSA-N 206.249 1.040 30 30 BDEC C[C@@H](CN(C)C(=O)OC(C)(C)C)/C(N)=N\O 54138827 IQFCEJTWEISRPL-ZETCQYMHSA-N 231.296 1.236 30 30 BDEC in-vitro CC(C)(C)N/C(=N\C#N)NCc1ccccn1 13232471 DNGVGYXCGZEIMB-UHFFFAOYSA-N 231.303 1.396 30 30 BDEC CS(=O)(=O)OC[C@H]1CCCC1(F)F 238852504 GIERTUZODWXHMA-ZCFIWIBFSA-N 214.233 1.398 30 30 BDEC CC(C)(C)OC(=O)N1CC[C@@](O)(CS)C1 76680168 JJSIHBXQHAYFAC-JTQLQIEISA-N 233.333 1.288 30 30 BDEC CC(=N/N=C1\NC(=O)CS1)c1ccccc1 254478433 FRESUAXYVQVOGJ-UHFFFAOYSA-N 233.296 1.630 30 30 BDEC CCCCCCCCN1CC(=O)NC1=O 8386396 RAIXQSNYRUTLRE-UHFFFAOYSA-N 212.293 1.899 30 30 BDEC C#CC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CCCCC1 33635134 PZDVIJAXMIWGMM-UWVGGRQHSA-N 235.283 1.159 30 30 BDEC C#C[C@]1(NC(=O)OC(C)(C)C)CCOC1 1535955410 SIWFTHWAWUFOOG-NSHDSACASA-N 211.261 1.303 30 30 BDEC COC(=O)[C@]1(C)O[C@@]1(C)c1ccccc1 39274968 PVJSAAXPHUIGEY-RYUDHWBXSA-N 206.241 1.864 30 30 BDEC in-vitro C=C[C@]1(C)CC[C@H]2[C@@H](C)C(=O)NC(=N)N21 14855779 JICZMZVYTMAXGX-VHSKPIJISA-N 207.277 1.096 30 30 BDEC endogenous,in-man O=CC(C=O)c1ccccc1Br 106491210 UOHNJJNCYMJCFG-UHFFFAOYSA-N 227.057 1.931 30 30 BDEC COC1=CC(=O)c2c(O)ccc(O)c2C1=O 1636786 PMJJQZXJIRDYGM-UHFFFAOYSA-N 220.180 1.007 30 30 BDEC biogenic CCOC(=O)Cc1csc(N/C=N/O)n1 15951857 XWKJZNGCKMMXFU-UHFFFAOYSA-N 229.261 1.078 30 30 BDEC C[S@](=O)c1cc(C(F)(F)F)cnc1C#N 2265365051 RICAJEUNWJEVTE-HNNXBMFYSA-N 234.202 1.709 30 30 BDEC C#C[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1535955409 SIWFTHWAWUFOOG-LLVKDONJSA-N 211.261 1.303 30 30 BDEC N#Cc1ccc2c(=O)c(=O)c3cccc1c32 75613840 TVURWCUBAHSGLW-UHFFFAOYSA-N 207.188 1.461 30 30 BDEC CNC(=O)O/N=C(/C)SCCC#N 5179093 IWRFWZPCCDGEFJ-POHAHGRESA-N 201.251 1.323 30 30 BDEC