smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#CCN(CC#N)C(=O)c1ccoc1C 308741033 SKAJFKCNJYNTST-UHFFFAOYSA-N 202.213 1.187 30 50 BDEA N#Cc1n[nH]nc1-c1ccc2c(c1)OCO2 5277721 RDXWPRDPEMUJLE-UHFFFAOYSA-N 214.184 1.072 30 50 BDEA COc1ccc(NC(=O)C2(C#N)CC2)cn1 156823914 USZSQLHELMNUKA-UHFFFAOYSA-N 217.228 1.332 30 50 BDEA C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@]1(O)C1CC1 91807429 JVXRRTKBJUJIKY-YGRLFVJLSA-N 243.310 1.550 30 50 BDEA N#Cc1ccc(N2C[C@H](C3CC3)[C@@H](N)C2)nc1 91425537 LGBKLKNFFAJRBF-NEPJUHHUSA-N 228.299 1.127 30 50 BDEA CC1(C)COB(c2cccc(Cl)c2C#N)OC1 169746590 DILJKRGCLPAOLL-UHFFFAOYSA-N 249.506 1.980 30 50 BDEA in-vitro COc1ccc([C@H](C#N)N2CCOCC2)cc1 19848522 FFBHHRZLHWDGQN-ZDUSSCGKSA-N 232.283 1.592 30 50 BDEA in-vitro CCN(Cc1ccccc1)C(=O)CC#N 20486605 SGJXOPRNXAHBHA-UHFFFAOYSA-N 202.257 1.949 30 50 BDEA in-vitro CCCN(CCC)CCCNC(=O)/C=N\O 5005593 CRBCXFCIMKPIKH-RAXLEYEMSA-N 229.324 1.075 30 50 BDEA N/C(=N\N=C(/N)c1ccccc1)c1ccccc1 5771971 TYCSVHCSUUAHTL-UHFFFAOYSA-N 238.294 1.712 30 50 BDEA CO/N=C(\C)c1ccc2c(c1)CC(=O)N2 2325732011 YWYALKKGHDDTCJ-NTUHNPAUSA-N 204.229 1.552 30 50 BDEA C[C@H]1C[C@H](O)CN1c1ccc(C#N)cc1F 334803476 AJYRKWDFRVMZKB-WPRPVWTQSA-N 220.247 1.657 30 50 BDEA Cc1c(-c2ccnc3c(C#N)cnn23)cnn1C 2787245 FJEPRZNXVAROKU-UHFFFAOYSA-N 238.254 1.310 30 50 BDEA CN(C)/C=C/C(=O)c1ccc(F)c([N+](=O)[O-])c1 78575639 DHTAANUIBJLGTQ-AATRIKPKSA-N 238.218 1.992 30 50 BDEA CN(CC#N)c1cccc2c1CCCN2CC#N 130761294 IHJAXLSLHGVGOG-UHFFFAOYSA-N 240.310 1.923 30 50 BDEA C=CC[C@@H]1NC(=O)N(c2cc(C)ns2)C1=O 1262385061 WPKMALZARFHPDQ-ZETCQYMHSA-N 237.284 1.452 30 50 BDEA N/C(S)=N/N=C/c1ccc([N+](=O)[O-])s1 1587559 ASTVIOLHJJWJMJ-FPYGCLRLSA-N 230.274 1.235 30 50 BDEA COc1cccc(C2(NC(=O)[C@@H]3CO3)CC2)c1 1875372648 KEORXLAVRQRVMA-NSHDSACASA-N 233.267 1.199 30 50 BDEA CCCN/C(O)=N/S(=O)(=O)c1ccccc1 29056855 XDUXYYDDHASTLI-UHFFFAOYSA-N 242.300 1.289 30 50 BDEA CCn1cc(-c2ccc(OC[C@@H]3CO3)cc2)nn1 1875378589 HBCDOTUDXGHICB-GFCCVEGCSA-N 245.282 1.743 30 50 BDEA Cc1cc(=O)n(C)c2cc(OC[C@H]3CO3)ccc12 1875379318 PSNZQVUDXQOUBH-NSHDSACASA-N 245.278 1.625 30 50 BDEA C[C@H](NC(=O)[C@H]1CO1)c1ccc(C#N)cc1F 1875372864 OBCQZXKYBADHGT-WRWORJQWSA-N 234.230 1.273 30 50 BDEA CC#CC(=O)Nc1ccc(F)c(NC(=O)NC)c1 804398191 CRPJMLPIYJWTHJ-UHFFFAOYSA-N 249.245 1.539 30 50 BDEA CCOC(=O)/C(C#N)=N/Nc1ccccc1 49620 NVOMLTILICGMJT-GXDHUFHOSA-N 217.228 1.541 30 50 BDEA O=C1CS/C(=N/c2ccc(C(=O)O)cc2)N1 2784262 REVPDQKARBLVRT-UHFFFAOYSA-N 236.252 1.235 30 50 BDEA Cc1ccsc1/C=N/N1CCOCC1 3261385 GYUZPYXJPDJWNG-DHZHZOJOSA-N 210.302 1.723 30 50 BDEA C#CCN[C@H](C(C)C)[C@H](O)c1ccccc1 390306573 DUPPCYAIRPLLJL-ZIAGYGMSSA-N 217.312 1.967 30 50 BDEA CC#CC(=O)N[C@H]1CCc2ccccc2NC1=O 848269892 UBYZCEDFNGHKIA-LBPRGKRZSA-N 242.278 1.079 30 50 BDEA C#C[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCC2 124034528 ARKMRTMACSUDLI-JTQLQIEISA-N 249.335 1.475 30 50 BDEA CCOC1(C)CCN(c2cncc(C#N)n2)CC1 401326235 NKGAZYHIYUQORW-UHFFFAOYSA-N 246.314 1.744 30 50 BDEA CCC#CCN1CCC[C@@]2(CCNC2)C1 822523043 MOGMBAXGJCPKOO-ZDUSSCGKSA-N 206.333 1.475 30 50 BDEA O=[S@]1OC[C@@H](COc2ccc(Cl)cc2)O1 71776857 MYZBYHKKLQVZRQ-RFAUZJTJSA-N 248.687 1.713 30 50 BDEA CC#CC(=O)N[C@H](c1ccn(C)c1)C(F)(F)F 1875363260 PGLLQHZWFCQTLB-SNVBAGLBSA-N 244.216 1.768 30 50 BDEA O=C(OCC(F)(F)C(F)F)C(F)(F)F 2566530 QWXXHRSQCJGYQR-UHFFFAOYSA-N 228.063 1.992 30 50 BDEA in-vitro C=CCS/C(N)=N/N=C/c1ccccc1O 5480636 FIUFPWSAHVJMGW-MDWZMJQESA-N 235.312 1.960 30 50 BDEA CCNC(=S)N/N=C/c1ccccc1O 2566337 PQOOQEGYZITVNT-KPKJPENVSA-N 223.301 1.210 30 50 BDEA CCCCOC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1O[C@H]21 105138550 PUSQGAQLNXZHQQ-ISUQUUIWSA-N 210.273 1.753 30 50 BDEA C#CCN(CC#N)C(=O)C[C@H]1C=CCC1 252492247 MGOKNKVXGGQPBN-NSHDSACASA-N 202.257 1.328 30 50 BDEA CN(Cc1cccnc1)/C(O)=N/C1CCOCC1 330680045 LPCJYJLXQOMSPH-UHFFFAOYSA-N 249.314 1.606 30 50 BDEA CN(C)c1nnc(S[C@H](C#N)C2CC2)s1 601077561 VEUJLSIRKDCYDF-SSDOTTSWSA-N 240.357 1.998 30 50 BDEA C=CC[C@@]1(C(=O)O)CCCN(Cc2c[nH]cn2)C1 91536719 QZLPCHNTMVLOOD-CYBMUJFWSA-N 249.314 1.653 30 50 BDEA C=CCCC(=O)Nc1c([N+](=O)[O-])cnn1C 184411942 VIXAOUFSVIBHOZ-UHFFFAOYSA-N 224.220 1.233 30 50 BDEA O=C(O)CCCc1ccc(/C=N/O)s1 2932795 OCAUUNNQCUCBSM-UXBLZVDNSA-N 213.258 1.964 30 50 BDEA C=CCNC(=O)NCCN1CC=C(C)CC1 357743772 NKZZTABIICXVPO-UHFFFAOYSA-N 223.320 1.124 30 50 BDEA COc1cccc(C2(C=O)CCOCC2)c1 12359746 GAGOAGIARGBOJE-UHFFFAOYSA-N 220.268 1.942 30 50 BDEA in-vitro C=CCNC(=O)C(=O)Nc1ccccc1CC 3072941 SLLODBYSMFLETR-UHFFFAOYSA-N 232.283 1.490 30 50 BDEA CCCCCCCC(=O)OC[C@@H](O)CO 8674155 GHBFNMLVSPCDGN-JTQLQIEISA-N 218.293 1.243 30 50 BDEA biogenic,world C#C[C@H](NC(=O)N[C@@H]1CCSC1)C(C)C 252479539 BHFRQKPMEIHWQY-ZJUUUORDSA-N 226.345 1.449 30 50 BDEA CC(=O)Nc1ccc(C#CC(C)(C)O)cc1F 26548001 JWGKUXZRKQDONQ-UHFFFAOYSA-N 235.258 1.907 30 50 BDEA in-vitro C=CCNC(=O)c1ccc(Br)o1 5382774 YCYWEEWJVDCIJV-UHFFFAOYSA-N 230.061 1.958 30 50 BDEA in-vitro C=C(CC(C)C)C(=O)N1CC(n2cncn2)C1 952877571 SBAPJGQVVPGXAY-UHFFFAOYSA-N 234.303 1.264 30 50 BDEA NC(=O)[C@H]1O[C@H]1c1ccc(CC2CCC2)cc1 1776005989 KVAWKTMGRIZDEU-STQMWFEESA-N 231.295 1.954 30 50 BDEA N#CC1(C#N)[C@H](C(N)=O)[C@H]1c1ccccc1Cl 50375 DQUVJZLMWOELLT-ZJUUUORDSA-N 245.669 1.572 30 50 BDEA CCN(c1ccccc1)c1nc(N)nc(C#N)n1 4708766 HTGZOVWXAFIVQQ-UHFFFAOYSA-N 240.270 1.483 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cn1 249437585 FHIJOGVXAZKJFO-HWLKSRQQSA-N 241.294 1.159 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)nn1C 170008777 IETUYGOJUSENMA-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA CN[C@@H]1CCN(c2ccc(C#N)c(C)n2)C1 261591431 VIDBXLCVCMOTOX-LLVKDONJSA-N 216.288 1.060 30 50 BDEA N#Cc1cc(O)cc(Br)c1C(=O)O 263625412 ZRSGRMMVBYJZJM-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CC#CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F 1875363259 PGLLQHZWFCQTLB-JTQLQIEISA-N 244.216 1.768 30 50 BDEA CC1(C)CN(c2ccc(C#N)nc2)C[C@H]1O 279387510 HSYFMYUSRFLLHH-LLVKDONJSA-N 217.272 1.160 30 50 BDEA C#CCNC(=O)[C@@H](C)Oc1ccc(C)c(F)c1 192576670 JVSYEIXTZHPHLF-SNVBAGLBSA-N 235.258 1.651 30 50 BDEA C=CCC(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 12020696 CIBSOCPDQCWHMM-JTQLQIEISA-N 238.331 1.326 30 50 BDEA Cc1ccc(OCC#CCN2CCOCC2)cc1 16624207 BZBOEUPYHBDZJE-UHFFFAOYSA-N 245.322 1.709 30 50 BDEA C#C[C@@H](C)OS(=O)(=O)c1ccc(C)cc1 2528018 XWRDBUBKBUYLQI-SNVBAGLBSA-N 224.281 1.722 30 50 BDEA in-vitro C=CCNS(=O)(=O)c1ccc(OCC)cc1 2838106 OVGJVWKYYRHSDY-UHFFFAOYSA-N 241.312 1.550 30 50 BDEA CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 4754732 LFOKDMGRKXOPEC-UHFFFAOYSA-N 246.270 1.218 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@]1(C)C=O 114430323 IAZFNKZRJHARAP-LLVKDONJSA-N 213.277 1.975 30 50 BDEA N#CCC(=O)c1ccc2c(c1)OCCO2 26513601 POGKLPJUZGOSPG-UHFFFAOYSA-N 203.197 1.554 30 50 BDEA C=C(C)CN1CCC(O)(C(F)F)CC1 336106045 MVVHGKGZXSUXRH-UHFFFAOYSA-N 205.248 1.655 30 50 BDEA CN(CC#N)C(=O)C1CCC(F)(F)CC1 160969570 NNHLRNWMBURYTO-UHFFFAOYSA-N 216.231 1.794 30 50 BDEA COCCN/C(N)=N/CCC1=CCCCCC1 184812474 QENMZDSEKDHFCW-UHFFFAOYSA-N 239.363 1.818 30 50 BDEA CC1(C)OB(c2ccccc2C(=O)O)OC1(C)C 169856405 WEMYAYYFODFKCV-UHFFFAOYSA-N 248.087 1.684 30 50 BDEA N#Cc1ccc(NN)c(C(F)(F)F)c1 2540229 AGGXBOOGNPKSRU-UHFFFAOYSA-N 201.151 1.863 30 50 BDEA in-vitro COC(=O)/C(O)=C/C(=O)c1ccc(C)cc1 100010469 NXPWLSZFBIFKLI-XFFZJAGNSA-N 220.224 1.793 30 50 BDEA C=CCN1CCN(C(=O)c2cccs2)CC1 20160999 DZVHMJVXKPMCMU-UHFFFAOYSA-N 236.340 1.692 30 50 BDEA N#C[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccco1 241287067 LJODZCIPDGTQDM-MXWKQRLJSA-N 246.266 1.134 30 50 BDEA CCN1C[C@H](Nc2ncccc2C#N)[C@@H](OC)C1 534650431 FOCGNJUEQBOPEU-RYUDHWBXSA-N 246.314 1.084 30 50 BDEA N#CCC1(O)CN(Cc2ccccc2F)C1 336290858 SPQMZCILTYHWEQ-UHFFFAOYSA-N 220.247 1.286 30 50 BDEA O=C(O)CCC/N=C(\O)c1cccnc1 82145012 NAJVRARAUNYNDX-UHFFFAOYSA-N 208.217 1.251 30 50 BDEA in-vitro CC1(C)OB(c2ccc(F)cc2N)OC1(C)C 169952164 URCVTWMYLLPYQY-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro C[C@H]1CCN1Cc1cc(C#CCO)cs1 706826713 ZISICVGOAZJUKA-JTQLQIEISA-N 221.325 1.686 30 50 BDEA CC(C)Oc1ccccc1/C=N/n1cnnc1 297069 ONAQYNOFNFFLED-VIZOYTHASA-N 230.271 1.948 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@@H](Oc2ccccc2)C1 1875372435 GFGWRKWSLRUCSQ-CHWSQXEVSA-N 247.294 1.455 30 50 BDEA COc1ccccc1-n1cc(OC[C@@H]2CO2)cn1 1875379639 SNDACTAYRHHWNU-LLVKDONJSA-N 246.266 1.659 30 50 BDEA N#CCCn1nnc(-c2ccccc2F)n1 2491713 SNVDBFURCIFKET-UHFFFAOYSA-N 217.207 1.393 30 50 BDEA C=CCNC(=O)C(=O)NCCC1=CCCCC1 4592667 HGMONOBIUHAPBJ-UHFFFAOYSA-N 236.315 1.295 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](C#N)C(=O)C1(C)C 32914964 CIJITXVSORFVFB-MRVPVSSYSA-N 238.287 1.725 30 50 BDEA CC1(C)COB(c2cccc(N)c2)OC1 169810474 CIZWNGWYNHXPFJ-UHFFFAOYSA-N 205.066 1.037 30 50 BDEA in-vitro CCN(CC)C(=O)c1sc(N)c(C#N)c1C 35740 HNCPUGCSLAOXGJ-UHFFFAOYSA-N 237.328 1.992 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CC[C@@]2(C)O[C@@H]2C1 216717128 XKAQTGOFXOCTAO-LDYMZIIASA-N 213.277 1.785 30 50 BDEA in-vitro C=CCNS(=O)(=O)c1ccc(OC)c(F)c1 6743141 KNCXZWMOXLDGMA-UHFFFAOYSA-N 245.275 1.299 30 50 BDEA N#Cc1cccnc1N1CCC[C@H]2CNCC[C@@H]21 715017613 LMCLFDUTUUTXSD-STQMWFEESA-N 242.326 1.532 30 50 BDEA COC(=O)/C(O)=C/C(=O)/C=C/c1ccccc1 100274329 XBSRJGGJQWIXMP-GHYOLMRSSA-N 232.235 1.884 30 50 BDEA biogenic CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 284915916 BPAIQXZOITWSTR-UHFFFAOYSA-N 220.247 1.721 30 50 BDEA CC#CC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 801195278 XNSOWDPOBVTMST-OLZOCXBDSA-N 221.300 1.331 30 50 BDEA N#Cc1ncn(CCCN2CCCCC2)c1C#N 191839357 KAAAKOMIODPLFW-UHFFFAOYSA-N 243.314 1.502 30 50 BDEA C=CCCCCCN1CCCNC(=O)[C@H]1C 193576517 JXIMWWIFTWRPGK-GFCCVEGCSA-N 224.348 1.943 30 50 BDEA N#Cc1ccn(CCC2CCC2)c(=O)c1 596316324 IVHAZLSSOBYPFR-UHFFFAOYSA-N 202.257 1.910 30 50 BDEA COc1ccc([C@H]2NC(=O)C(O)=C2C(C)=O)cc1 450151 XKDQLHJDRWRRNS-LLVKDONJSA-N 247.250 1.267 30 50 BDEA O=C([C@@H]1CO1)N1C[C@@H](F)C[C@@H]1c1ccccc1 1875373044 SKRPVYRFNZKIDP-TUAOUCFPSA-N 235.258 1.697 30 50 BDEA C=CCNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6731131 HAMXQRSEDGZKRF-RGOKHQFPSA-N 223.272 1.036 30 50 BDEA C=C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 8205417 YDGRSOXTMWVLOJ-LLVKDONJSA-N 249.266 1.640 30 50 BDEA COc1ccccc1N/C(C)=C1/C(=O)COC1=O 104258365 QJQGHGABFJYGAD-WQLSENKSSA-N 247.250 1.507 30 50 BDEA O/C(C[C@H]1C=CCCC1)=N/CCn1ncnn1 330262069 UQMXWHHHHYARMC-JTQLQIEISA-N 235.291 1.376 30 50 BDEA CC(C)[C@@H](CO)Nc1ccc(C#N)nc1 122470211 VWNQBNNNVIAZNT-LLVKDONJSA-N 205.261 1.382 30 50 BDEA Cc1ccncc1CN=C1N[C@@H](C)[C@@H](C)N1 1776003683 DMAAEVYGDSZNFQ-AOOOYVTPSA-N 218.304 1.216 30 50 BDEA CC1(C)OB(c2ccn3nccc3c2)OC1(C)C 307361483 FKOPUHQSSHXQQU-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA CCCS(CCC)=C(C(=O)OC)[N+](=O)[O-] 16514173 SQEJCMYSWMUIAF-UHFFFAOYSA-N 235.305 1.655 30 50 BDEA COC(=O)C[n+]1ccn2c(C)ccc2c1C 1763910 YRWIMIPMXISSGU-UHFFFAOYSA-N 219.264 1.017 30 50 BDEA COC1=C(OC)C(=O)c2ccccc2C1=O 518909 ZEGDFCCYTFPECB-UHFFFAOYSA-N 218.208 1.570 30 50 BDEA biogenic,in-vitro C=CCN(CC#Cc1ccccc1)C(=O)CNC 55183342 KAGJWRBXCAVCDP-UHFFFAOYSA-N 242.322 1.272 30 50 BDEA C=CCOc1ccccc1CN1CCNCC1 22752506 KWUWZLRTQAMEMJ-UHFFFAOYSA-N 232.327 1.657 30 50 BDEA N#Cc1ccc(C(=O)N2CCOCC2)c(F)c1 4838055 ADMFCIOUFIXWJF-UHFFFAOYSA-N 234.230 1.170 30 50 BDEA C#C[C@H](C)NS(=O)(=O)c1ccc(F)cc1C 167055685 LTUWAGPXWOCQFC-VIFPVBQESA-N 241.287 1.434 30 50 BDEA C#CCOc1ccc(CNC(=O)C#CC)cc1 1624399384 VVLYZZPZKJDINN-UHFFFAOYSA-N 227.263 1.338 30 50 BDEA CCn1nccc1B1OC(C)(C)C(C)(C)O1 169746171 PKJCXHILXIEALN-UHFFFAOYSA-N 222.097 1.202 30 50 BDEA CC#CC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 801176527 IYAMATLFDIQTIJ-AAEUAGOBSA-N 231.295 1.118 30 50 BDEA CC1(C)OB([C@]23CNCC[C@H]2C3)OC1(C)C 1857780538 OTOHJSZLZNMDBT-JOYOIKCWSA-N 223.125 1.832 30 50 BDEA CC1(O)CN(c2ncc(C#N)cc2Cl)C1 276146781 DCLSIVBNULUKLY-UHFFFAOYSA-N 223.663 1.178 30 50 BDEA CC1(C)OB(c2cc(O)ccc2C#N)OC1(C)C 206121676 BQRMKLLVCDQNGR-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA O=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 1640980 RMVNRJQZZSUJMW-UHFFFAOYSA-N 243.242 1.765 30 50 BDEA CC1(C)CC(NCCC#N)CC(C)(C)N1 2494891 ZQWMCKVAMCDZSL-UHFFFAOYSA-N 209.337 1.799 30 50 BDEA N#CCCn1cc(CO)c(-c2ccccc2)n1 4475540 NVAIIDKRKVRJEW-UHFFFAOYSA-N 227.267 1.956 30 50 BDEA N#C[C@@H]1COCCN1C(=O)C1[C@H]2CCCC[C@H]12 227340838 LGWJBMGGSJVWDB-VWYCJHECSA-N 234.299 1.174 30 50 BDEA N/C(=N\N=C/c1cccc(O)c1)c1ccccn1 32608609 PEWSUTOUDLXWHN-SXGWCWSVSA-N 240.266 1.527 30 50 BDEA C[C@@H]1CN(c2ccnc(C#N)c2)CC[S@](=O)C1 287822581 QIXPFKCXGAROKL-QGHHPUGFSA-N 249.339 1.158 30 50 BDEA c1ccc(C/N=C2/NC[C@@H]3CCC[C@H]3N2)cc1 1775994239 ZEDZBUPFMLXPLL-QWHCGFSZSA-N 229.327 1.904 30 50 BDEA O=C(OCc1ccccc1)N1C[C@H]2O[C@@H]2C1 100667871 FZDACFZWWMAUBO-GHMZBOCLSA-N 219.240 1.406 30 50 BDEA in-vitro N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](F)C2)c1 335454579 ZSRQONPSPMJITQ-BDAKNGLRSA-N 221.235 1.507 30 50 BDEA CC(C)(O)C(=O)/C=C/c1ccc2c(c1)OCO2 210538 XIZZGRDHJNKKSR-GQCTYLIASA-N 234.251 1.769 30 50 BDEA O=C(O)C1=C(Cl)C(=O)c2ccccc21 145718502 PVDUPRDEFJUIKG-UHFFFAOYSA-N 208.600 1.917 30 50 BDEA in-vitro Cc1ccc(S(=O)(=O)/N=C/N(C)C)cc1 12410137 AWICAOQZHLERQF-DHZHZOJOSA-N 226.301 1.274 30 50 BDEA CCNC(=S)N/N=C/c1cccc(O)c1 2521702 KTQHWEQUUDFRLA-KPKJPENVSA-N 223.301 1.210 30 50 BDEA Oc1cnnc(N/N=C/c2ccc(Cl)cc2)n1 3901910 RDOHAJBNQDRZQV-LFYBBSHMSA-N 249.661 1.677 30 50 BDEA N#Cc1cnc(-c2ccc3c(c2)OCO3)nc1N 65394453 WEKXEDMSPKEOJS-UHFFFAOYSA-N 240.222 1.326 30 50 BDEA COc1ccc(C(=O)/C=C\N(C)C)cc1OC 12356830 SUPCYQIUOSDKPA-FPLPWBNLSA-N 235.283 1.962 30 50 BDEA Cc1ccc(CN2C[C@@H](/C(N)=N/O)CC2=O)cc1 221630809 GFQZGAQGLKXOPG-NSHDSACASA-N 247.298 1.090 30 50 BDEA N#Cc1ccc(CN2CCC[C@@H](CN)C2)cc1 44527872 UGQRVJNTWRSBII-AWEZNQCLSA-N 229.327 1.729 30 50 BDEA O[C@@H]1C=CC23C[C@@H]4O[C@@H]4CC2(C1)C[C@H]1O[C@H]1C3 257359359 ZVJFGHAQBXCDEG-TVRYGNFVSA-N 234.295 1.402 30 50 BDEA N#Cc1cc(Br)c(O)c(C(=O)O)c1 263623287 GFXFUEBAXZDFKY-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C=CCOC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 498050850 IQWBJVMOAYVPGM-BDAKNGLRSA-N 241.287 1.629 30 50 BDEA C=CCN1CC(=O)N(c2cccnc2OC)C1=O 900197009 WCGDAOCYCLAJMR-UHFFFAOYSA-N 247.254 1.045 30 50 BDEA C/C(=N/O)c1ccc(NS(C)(=O)=O)cc1 100059152 KMCJFKOUJJEHMP-YFHOEESVSA-N 228.273 1.256 30 50 BDEA CC1(C)OB(c2ccc(C(N)=O)cc2)OC1(C)C 169748062 NWEMAGLLVQDEKL-UHFFFAOYSA-N 247.103 1.085 30 50 BDEA in-vitro N#CCCCn1c(=O)oc2ccccc21 2138763 LIAAFJQABIRXNT-UHFFFAOYSA-N 202.213 1.898 30 50 BDEA CCOc1cccc(NC(=O)CC#N)c1 2969851 IUAFAIATPDHEEX-UHFFFAOYSA-N 204.229 1.937 30 50 BDEA O=C1C=CC(=O)C2=C1[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12 104286725 GEHCNIXIVQUQPV-IMSYWVGJSA-N 210.232 1.609 30 50 BDEA N#CCC(=O)N1CCc2ccc(F)c(F)c21 334774731 LCGCGDMBYPOMBN-UHFFFAOYSA-N 222.194 1.768 30 50 BDEA C#CCN(CC(OC)OC)C1CCCC1 161526863 QTOAZMOAQFKGIR-UHFFFAOYSA-N 211.305 1.483 30 50 BDEA CC#CC(=O)N1CCN(C(=O)OC(C)(C)C)C1 1179751952 OPORQVQXBUSVHC-UHFFFAOYSA-N 238.287 1.047 30 50 BDEA CNC(=O)Cc1cccc(/N=C2/C=C(O)NC2)c1 1848443909 OEQIJCUKYKCLSQ-WJDWOHSUSA-N 245.282 1.050 30 50 BDEA O=C(C[n+]1ccccc1)Nc1nccs1 2064313 BYWYQMJWPQEBKD-UHFFFAOYSA-O 220.277 1.069 30 50 BDEA Cc1cc(C)nc(/N=C(/N)NC2CCCC2)n1 58823602 MXAGYENWQPEUGW-UHFFFAOYSA-N 233.319 1.572 30 50 BDEA C=CCN(C)C(=O)c1cnn(CC)c1C 65501193 SFMXEZPIMJZHAA-UHFFFAOYSA-N 207.277 1.469 30 50 BDEA N#CC1CCN(Cc2cnc3cnccn23)CC1 123684265 ZBGHWPPPHNKPDM-UHFFFAOYSA-N 241.298 1.465 30 50 BDEA C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(F)F 334687232 SZPQHMOPONKTKC-ZCFIWIBFSA-N 227.214 1.660 30 50 BDEA CCOC(=O)CC(=O)C[C@@H]1C(=O)C=C(C)[C@H]1C 45028110 HMNGYYNWYHZVGT-KOLCDFICSA-N 238.283 1.680 30 50 BDEA CC(C)(C)OC(=O)NC12CC(C#N)(C1)C2 1565504722 KSXWAPXMULDENR-UHFFFAOYSA-N 208.261 1.957 30 50 BDEA C[C@@H]1NC(=NCc2ccc(F)cc2)N[C@H]1C 1776003778 GYZAWALOCKAWFY-IUCAKERBSA-N 221.279 1.652 30 50 BDEA COc1ccc2c(c1)CN(CC#N)CC2 170593048 YWLRHWCTOJTMKG-UHFFFAOYSA-N 202.257 1.577 30 50 BDEA CO[C@@H]1CN(C(=O)CCCC#N)CC[C@@H]1C 408239014 WLEZAMDYKLYFCH-WDEREUQCSA-N 224.304 1.564 30 50 BDEA N#Cc1cccnc1N1CC[C@@H]2COCC[C@@H]21 1875271550 IDCNFSLFOXAUDK-NEPJUHHUSA-N 229.283 1.568 30 50 BDEA CCONC(=O)C[n+]1csc2ccccc21 2871117 MLAQNMVSLKBYHI-UHFFFAOYSA-O 237.304 1.257 30 50 BDEA CC(C)NC[C@H](O)c1ccc(N)c(C#N)c1 2020086 BUXRLJCGHZZYNE-LBPRGKRZSA-N 219.288 1.172 30 50 BDEA biogenic,in-man CO[C@@H]1CN(C(=O)CCCC#N)CC[C@H]1C 408239011 WLEZAMDYKLYFCH-GHMZBOCLSA-N 224.304 1.564 30 50 BDEA N#C/N=C(/N)c1ncc(C(F)(F)F)cc1Cl 221526915 NLLSXBOSFKTEJN-UHFFFAOYSA-N 248.595 1.940 30 50 BDEA N/C(=N\O)c1ccccc1Br 6226755 ONQOWPJQZVMMQJ-UHFFFAOYSA-N 215.050 1.544 30 50 BDEA in-vitro CCCCCCCC(=O)ON1C(=O)CCC1=O 2510022 PEJVSXYBFAVPAQ-UHFFFAOYSA-N 241.287 1.954 30 50 BDEA in-vitro c1nnc(-c2ccc(OC[C@@H]3CO3)cc2)s1 1875390108 YWUURIYJGBKHKQ-SNVBAGLBSA-N 234.280 1.983 30 50 BDEA CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccc(F)cc1 444245 UMWWZQVBTIPVTI-SNVBAGLBSA-N 235.214 1.398 30 50 BDEA C=CCN[C@@H](C)Cn1cc(Br)cn1 130647069 PUPGAGYALRHBOR-QMMMGPOBSA-N 244.136 1.810 30 50 BDEA C=C(C[C@@]1(C(=O)OC)CCCO1)C(=O)OCC 43198980 RETXQILNYKKIMY-GFCCVEGCSA-N 242.271 1.218 30 50 BDEA c1ccc2cc(B3OCCCO3)ccc2c1 195964529 QRSISWYMCMIZJD-UHFFFAOYSA-N 212.057 1.972 30 50 BDEA CCN(CCC#N)C(=O)c1ccc(F)cc1O 133247270 RVTHDHNQKKUBQN-UHFFFAOYSA-N 236.246 1.907 30 50 BDEA CN(C(=O)N1CCCC1)c1cccc(C#N)n1 2325797985 DCCKKXPSKNZVML-UHFFFAOYSA-N 230.271 1.605 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)nc1 241837485 SKNSMTUUBFRIRI-APLVYKGISA-N 241.294 1.159 30 50 BDEA C[C@@H]1NC(=NCc2ccccc2)N[C@@H]1C 1775994227 YXIIYTZMDJHVML-AOOOYVTPSA-N 203.289 1.512 30 50 BDEA CC#CC(=O)N[C@H](C)c1nc(C(F)(F)F)no1 862032229 ZLLAEQUILOJLDN-RXMQYKEDSA-N 247.176 1.289 30 50 BDEA NC(N)=N/N=C/c1cccc(Cl)c1Cl 6091676 WLTSTDGGFCQWTK-YIXHJXPBSA-N 231.086 1.601 30 50 BDEA C#CCCC(=O)N1C[C@@H](C)OC(C)(C)C1 225473060 IAAHMDKTHZOTDQ-SNVBAGLBSA-N 209.289 1.426 30 50 BDEA N#CCC(=O)Nc1ccc2nc(S)[nH]c2c1 119358965 IZBINOGMNPZUPE-UHFFFAOYSA-N 232.268 1.704 30 50 BDEA O=C1CCCc2c(OC[C@H]3CO3)cccc21 38236156 IINAKVBHQXNCON-SECBINFHSA-N 218.252 1.983 30 50 BDEA NC(=O)c1ccc(N=C(O)C[C@H]2CCOC2)cn1 328828830 TYSQVCLMQOQBRD-MRVPVSSYSA-N 249.270 1.195 30 50 BDEA CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 335688341 JPMSBMLZCCWUNI-VXGBXAGGSA-N 222.288 1.460 30 50 BDEA CC(C)(C)OC(=O)N1CC2(CC(C=O)C2)C1 169804380 QAIHVJYVIUKZAR-UHFFFAOYSA-N 225.288 1.832 30 50 BDEA in-vitro C#CCN(CCCC=C)S(=O)(=O)CC 194665184 KTDIMQYCFTYMMD-UHFFFAOYSA-N 215.318 1.238 30 50 BDEA CCOC(=O)C1CCN(CCC#N)CC1 34937076 SMRXXAYKLVVIGE-UHFFFAOYSA-N 210.277 1.175 30 50 BDEA in-vitro N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CO1 1875372638 KABPOFPBCHLDHW-STQMWFEESA-N 242.278 1.451 30 50 BDEA C=CCN(C)CCN(CC)CCC(C)(C)O 252502249 UONVDGIBUKNOJF-UHFFFAOYSA-N 228.380 1.587 30 50 BDEA C[C@H](CC=O)NC(=O)c1ccc(F)cc1 43214838 QAUMFZFILWETOS-MRVPVSSYSA-N 209.220 1.533 30 50 BDEA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1C#N 38537034 NDJSYGYGKQJEOC-UHFFFAOYSA-N 243.226 1.543 30 50 BDEA in-vitro C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(C#N)cc1 131646119 ZNFFCOQGIYBELZ-GXFFZTMASA-N 243.310 1.510 30 50 BDEA N#Cc1ccc(N2CCC(C#N)CC2)nc1N 568244026 XRTGJXALCKVLOF-UHFFFAOYSA-N 227.271 1.275 30 50 BDEA C=CCC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O 2005550 KQPKPCNLIDLUMF-QMMMGPOBSA-N 238.287 1.351 30 50 BDEA biogenic,fda CS(=O)(=O)OCCCc1ccccc1 34455614 YQADPICFWYQTNO-UHFFFAOYSA-N 214.286 1.595 30 50 BDEA C=CCc1cc(C[C@](C)(N)C(=O)O)ccc1O 71774331 RXYLCSLPFGMSKZ-ZDUSSCGKSA-N 235.283 1.465 30 50 BDEA C=C1CC(CN=C2N[C@H]3CCC[C@@H]3N2)C1 1776004402 RBZQXQXXFZDEJH-QWRGUYRKSA-N 205.305 1.423 30 50 BDEA CC1(C)OB(c2ccncc2F)OC1(C)C 169745951 MLFGHAHGSVFKMI-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro C#CCN1CCC(c2ccncc2)CC1 191674528 ZHAXOKUFBKUBHH-UHFFFAOYSA-N 200.285 1.894 30 50 BDEA N/C(=C\C(=O)c1ccccc1O)C(F)F 18255725 SNGGWWAPIHPOCH-ALCCZGGFSA-N 213.183 1.683 30 50 BDEA CCCCCCCCOC[C@@H](O)CO 59422796 GUPXYSSGJWIURR-NSHDSACASA-N 204.310 1.717 30 50 BDEA C[C@H]1C[C@@H](C=O)CN1C(=O)OC(C)(C)C 238496991 JGJBPKGWOWFJFN-DTWKUNHWSA-N 213.277 1.831 30 50 BDEA COC[C@](C)(C#N)/N=C(/O)c1ccsc1 331018233 IFABXCSDEDDATN-JTQLQIEISA-N 224.285 1.981 30 50 BDEA C=CCN(C)C(=O)N[C@@H]1CC[C@H](F)C1 336149093 UAEWTZYSWHDPIG-DTWKUNHWSA-N 200.257 1.704 30 50 BDEA N#CC1(C(=O)N[C@@H]2CC[C@@H](F)C2)CCC1 336401251 GTRDZEXIMIHQOX-RKDXNWHRSA-N 210.252 1.687 30 50 BDEA N#Cc1cccc(CO)c1Br 72191327 CWLVWDFXEGFJSM-UHFFFAOYSA-N 212.046 1.813 30 50 BDEA C#CCOC(=O)C(C)(C)Br 95099974 XTILOBFYTKJHJZ-UHFFFAOYSA-N 205.051 1.336 30 50 BDEA CCn1nccc1/C=C1\S/C(=N/C)NC1=O 585135878 HGZMOOJCHSCVJU-VURMDHGXSA-N 236.300 1.093 30 50 BDEA CC1(C)OB(C2=CCOCC2)OC1(C)C 169743825 DOSGEBYQRMBTGS-UHFFFAOYSA-N 210.082 1.965 30 50 BDEA in-vitro C[C@@H]1CC(C)(C)OB(c2ccccc2)O1 169807815 QTHVGJPLXHEIAZ-SNVBAGLBSA-N 204.078 1.986 30 50 BDEA in-vitro CC(C)c1nnc(Cn2cc(C#N)cn2)n1C 282174742 FMQKJGXMCITXSJ-UHFFFAOYSA-N 230.275 1.055 30 50 BDEA C=C[C@H]1CCN(C(=O)CC(C)(C)CO)C1 1857704745 DPSYIYJIUSFHRG-JTQLQIEISA-N 211.305 1.430 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@H](Oc2ccccc2)C1 1875372438 GFGWRKWSLRUCSQ-STQMWFEESA-N 247.294 1.455 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CO 169955706 HLEBNLQFGHQIKK-UHFFFAOYSA-N 248.131 1.787 30 50 BDEA C[C@@H](C#N)CS(=O)(=O)c1ccccc1 20223318 BHDLMZJQXYZHBO-VIFPVBQESA-N 209.270 1.620 30 50 BDEA CC#CC(=O)Nc1cc(C(=O)OC)ccc1F 801113949 FXFCRBVRVDOOJZ-UHFFFAOYSA-N 235.214 1.574 30 50 BDEA C=C1CC(C)(C(=O)NO[C@H]2CCOC2)C1 2325760199 BBFPFYRFNNZAJX-VIFPVBQESA-N 211.261 1.179 30 50 BDEA C=CC[C@]1(CO)CCCN(C(=O)c2ccc[nH]2)C1 91452546 PHVRADUNLYENOZ-AWEZNQCLSA-N 248.326 1.806 30 50 BDEA C=CC[C@]1(CO)CCCN(c2ccnc(C)n2)C1 91872606 JSUOVAQZKHMTMS-AWEZNQCLSA-N 247.342 1.940 30 50 BDEA C=CCn1nc(C)c(-c2cc(C(=O)O)n[nH]2)c1C 8741035 JJNHKUIWSKUXCK-UHFFFAOYSA-N 246.270 1.774 30 50 BDEA C[C@H](NC[C@]1(O)CCOC1)c1cccc(C#N)c1 224758851 KXDRKLKTWZVCKH-SMDDNHRTSA-N 246.310 1.360 30 50 BDEA CCOC(=O)[C@H]1CCC(OCC)=CC1=O 113269977 DQZJBCFOPNAVTB-VIFPVBQESA-N 212.245 1.449 30 50 BDEA N#Cc1ccc2ccn(CC(=O)O)c2c1 20457281 DKPDKFSJDCYCNW-UHFFFAOYSA-N 200.197 1.598 30 50 BDEA N#Cc1cnn(CC#Cc2ccc(F)cc2)c1 334260745 SCJLHGBMWKITDK-UHFFFAOYSA-N 225.226 1.946 30 50 BDEA Cc1nc(C#N)cc(NCc2n[nH]cc2C)n1 716469899 BSKHMSILTWXHCQ-UHFFFAOYSA-N 228.259 1.300 30 50 BDEA COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169747116 VFIKPDSQDNROGM-UHFFFAOYSA-N 234.104 1.994 30 50 BDEA in-vitro COc1cc([N+](=O)[O-])c(C#N)c(OC)c1OC 5669985 AHWRSUHLXJOUDZ-UHFFFAOYSA-N 238.199 1.492 30 50 BDEA C[C@H]1C[C@@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1 952892551 OKTZWYKMODVIDX-ZANVPECISA-N 244.298 1.234 30 50 BDEA CC(C)(O)c1ccc(OC[C@@H]2CO2)cc1 1875389971 AWXMBKLILSZXCE-LLVKDONJSA-N 208.257 1.692 30 50 BDEA CC(C)NS(=O)(=O)Cc1ccccc1C#N 7989012 IFFQZHCUWGUOJJ-UHFFFAOYSA-N 238.312 1.386 30 50 BDEA C=CCNC(=O)[C@@H]1CC(c2ccccc2O)=NO1 4505242 GAROLJWHXMYYCF-LBPRGKRZSA-N 246.266 1.187 30 50 BDEA CC1(C)C[C@@]1(C#N)NC(=O)c1cncc(O)c1 292491497 OIZAJPNAWLVVNH-LBPRGKRZSA-N 231.255 1.209 30 50 BDEA CN(CCc1cnccn1)[C@@H]1CC[C@H](C#N)C1 293710241 DSAFNPKOMSFBDT-WCQYABFASA-N 230.315 1.643 30 50 BDEA CO[C@@](C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC1 331848420 HAMSIWZUMZNJQL-UFGOTCBOSA-N 236.315 1.610 30 50 BDEA C=CC(=O)N[C@H](C#N)c1ccc(OC)cc1OC 1875273647 XOMIQYVYLFOVFT-LLVKDONJSA-N 246.266 1.571 30 50 BDEA C#C[C@H](C)NS(=O)(=O)c1ccc(Cl)s1 167051149 SYNSVBXIOADCBP-LURJTMIESA-N 249.744 1.702 30 50 BDEA COC[C@H]1CN(c2nc(C#N)ccc2C)CCO1 408513802 WRXLABUFCISYMQ-GFCCVEGCSA-N 247.298 1.113 30 50 BDEA C/N=C(\N)N1CCS[C@@H](C(C)C)C1 170590903 YGMYJFSGBSCBQZ-MRVPVSSYSA-N 201.339 1.004 30 50 BDEA CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@@H]2[C@@H]1C#N 1857778575 XFHYFTWLIMRDJR-RNJXMRFFSA-N 222.244 1.292 30 50 BDEA COc1cccc(C(=O)/C=C/N(C)C)c1 16051365 QBMMITATXZJWDG-BQYQJAHWSA-N 205.257 1.953 30 50 BDEA in-vitro N#Cc1ccc(-c2nnc3n2CCOC3)cc1 565904114 PDHKYZZPRAYBCA-UHFFFAOYSA-N 226.239 1.347 30 50 BDEA C#C[C@@](C)(CC)OC[C@@H](O)CN1CCCC1 12421406 HPMKZAIQFDBENL-STQMWFEESA-N 225.332 1.262 30 50 BDEA Cc1nsc(N[C@@H]2CC[S@](=O)C2)c1C#N 328667837 LCOVXLBBWIKTSV-MLXNANBUSA-N 241.341 1.256 30 50 BDEA Cc1ncccc1B1OC(C)(C)C(C)(C)O1 169747627 WXPRMDIXTKNFIG-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA Cc1cc(C#N)cc(N2CCCC[C@@H](CO)C2)n1 367327717 SWRBDWLTFJZEJL-GFCCVEGCSA-N 245.326 1.861 30 50 BDEA N#CCn1c(-c2nonc2N)nc2ccccc21 269001 RSNMFVBZWSSWKA-UHFFFAOYSA-N 240.226 1.192 30 50 BDEA CC(C)(C)OC(=O)N1CC(S)(CCO)C1 149657431 MQSBKNHWSIHNGS-UHFFFAOYSA-N 233.333 1.288 30 50 BDEA C[C@@H](CC#N)N(C)C(=O)c1cc(F)c[nH]1 293244291 YTPPXEKUXLQSIZ-ZETCQYMHSA-N 209.224 1.528 30 50 BDEA CC1(C)OB(c2ccc(N)cc2C#N)OC1(C)C 170003104 IMUBORUZDYTZMI-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA in-vitro O=C(C[n+]1ccccc1)Nc1ccccc1F 5897624 DLWNPQUTVKRHBY-UHFFFAOYSA-O 231.250 1.752 30 50 BDEA C#CN(CCC)c1nc(NCC)nc(NCC)n1 5019025 NPZVSRBZBCDSJE-UHFFFAOYSA-N 248.334 1.542 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@H](C=O)C1 11974823 CTVHINDANRPFIL-SECBINFHSA-N 213.277 1.832 30 50 BDEA in-vitro CC(C)(C#CC(=O)O)CNC(=O)OC(C)(C)C 1857781076 JEKZYYYDMVOXFV-UHFFFAOYSA-N 241.287 1.625 30 50 BDEA N#Cc1cncc(NC(=O)Cc2cccnc2)c1 1875327852 NFHVZMZTKNOYHY-UHFFFAOYSA-N 238.250 1.529 30 50 BDEA CC(C)(O)c1ccc(OC[C@@H]2CO2)c(F)c1 1875379906 ZHALXDKQGVKIAH-VIFPVBQESA-N 226.247 1.831 30 50 BDEA O=C(NC1(c2ccccc2)CC1)[C@H]1CO1 1875373288 XNTDRPVJLBFZCT-SNVBAGLBSA-N 203.241 1.191 30 50 BDEA C=C1CC(C)(C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)C1 1875311180 PFUJTRDCAVUFIN-ZRUFSTJUSA-N 249.310 1.568 30 50 BDEA CC(=O)O[C@@H](C)C#CCN1CCCCC1 4996576 UTWPKXDCAABFKE-NSHDSACASA-N 209.289 1.427 30 50 BDEA C#CC[C@H](C)N1C(=O)CN(C(C)C)C1=O 225458495 DFFWXXARJDWZKT-VIFPVBQESA-N 208.261 1.071 30 50 BDEA CCOS(=O)(=O)Cc1ccccc1 113645398 ANNNGOUEZBONHD-UHFFFAOYSA-N 200.259 1.553 30 50 BDEA CCO/C(=C/C(=O)C(F)(F)F)N(C)CC 79387628 DGLGCACPCBCLHH-SOFGYWHQSA-N 225.210 1.947 30 50 BDEA CC#CC(=O)N[C@@H](C)C(=O)OC1CCCC1 283246887 PXYLOISBMBKUPA-VIFPVBQESA-N 223.272 1.000 30 50 BDEA CC(C)n1nccc1B1OC(C)(C)C(C)(C)O1 169746167 ZKZJXVGTTZXHGX-UHFFFAOYSA-N 236.124 1.763 30 50 BDEA in-vitro N#CCC1(O)CN(Cc2cc3ccccc3o2)C1 191919448 IAPBPJIIBGQKJY-UHFFFAOYSA-N 242.278 1.893 30 50 BDEA O=C(N[C@@H]1C[C@@]12CCc1ccccc12)[C@@H]1CO1 1875372381 FACLNQYENHJKBS-OUCADQQQSA-N 229.279 1.158 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccc(O)cc1O 228446 CUVGAQJLEGZYSC-WUXMJOGZSA-N 232.243 1.188 30 50 BDEA N#Cc1c(N2C(=O)C=CC2=O)sc2c1CCC2 2758271 SLLBZFBCAYTFCF-UHFFFAOYSA-N 244.275 1.538 30 50 BDEA CN1CC/C(=N\O)[C@H](C2(O)CCCCC2)C1 4760192 AGRSMSSOUFKBIQ-IMTQZCPYSA-N 226.320 1.464 30 50 BDEA C=CCn1c(=O)n(CC)c(=O)c2ccccc21 9926703 PUSOVKKFQLMQNL-UHFFFAOYSA-N 230.267 1.369 30 50 BDEA CC(=O)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 221672927 INYGWUFTISSLHX-CKIWUXSYSA-N 208.257 1.361 30 50 BDEA CC[C@H](C(=O)N1CCC(C#N)CC1)N(C)CC 822544877 UIQJNHQGFHUNQW-GFCCVEGCSA-N 237.347 1.479 30 50 BDEA C=CCNc1nc2nonc2nc1NC1CC1 14971107 GODXPLGXHQLECK-UHFFFAOYSA-N 232.247 1.185 30 50 BDEA C=CCNC(=S)NC(=O)c1cccc(C)c1 2884714 XZESCYQNBRDOGU-UHFFFAOYSA-N 234.324 1.785 30 50 BDEA COC(=O)c1nsc2cc(C#N)ccc12 408525997 PZHGIWGOOXDKJY-UHFFFAOYSA-N 218.237 1.955 30 50 BDEA CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C 211227483 CPRFJKHAQLMTDV-UHFFFAOYSA-N 236.124 1.511 30 50 BDEA CC1(C)COB(c2ccc(CC#N)cc2)OC1 169946401 ABRQBFUTHRPJKV-UHFFFAOYSA-N 229.088 1.521 30 50 BDEA in-vitro N#CCC(=O)Nc1ccc2nc(S)oc2c1 170599273 VHWILHKVZAQIIS-UHFFFAOYSA-N 233.252 1.969 30 50 BDEA C#CCOCCOC(=O)N(CC)C(C)C 1615612899 CUOGFQQEGRQUBQ-UHFFFAOYSA-N 213.277 1.503 30 50 BDEA N#Cc1ccccc1OCCn1cncn1 618279 KUDZHVQDCPCUOH-UHFFFAOYSA-N 214.228 1.229 30 50 BDEA CCNCC#CCOc1ccc(C)cc1 16623663 HYOZJZJYVZXJCN-UHFFFAOYSA-N 203.285 1.987 30 50 BDEA N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CO1 1875372636 KABPOFPBCHLDHW-OLZOCXBDSA-N 242.278 1.451 30 50 BDEA N#CCCN1CCC[C@](O)(C(F)(F)F)C1 336490048 WOLUBDQRZOAWPV-MRVPVSSYSA-N 222.210 1.289 30 50 BDEA COS(=O)(=O)C12CC3CC(CC(C3)C1)C2 4529836 DDWYYQDVBUEDSI-UHFFFAOYSA-N 230.329 1.931 30 50 BDEA COc1ccc2c(c1)[C@]1(CC2)O[C@H]1C#N 306439765 HKRAIFDNGUIOIS-RYUDHWBXSA-N 201.225 1.759 30 50 BDEA C=CC[C@H]1CCN(C(=O)CSCC(=O)O)C1 600876174 SYFKNVNOSFNGBF-VIFPVBQESA-N 243.328 1.229 30 50 BDEA C[C@@H]1CNC[C@H]1B1OC(C)(C)C(C)(C)O1 2325903873 LJFJFHQAULGKBH-RKDXNWHRSA-N 211.114 1.688 30 50 BDEA C[C@@H]1CCC(=O)C[C@@H]1N(CC#N)CC#N 725362339 TWVJTYIBENUCHC-KOLCDFICSA-N 205.261 1.093 30 50 BDEA N#Cc1c(F)cncc1Br 71654883 CBFQLJNXSVDWCL-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA in-vitro C#CC1(OC[C@@H](O)CNC(C)C)CCCCC1 12382631 SYOIRJKDWLVLMS-ZDUSSCGKSA-N 239.359 1.698 30 50 BDEA N/C(=N/O)c1cccn1-c1nccs1 8379342 OZNSWYKDCHOUMH-UHFFFAOYSA-N 208.246 1.028 30 50 BDEA C=CCN(CC=C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 236448549 CLLHTTSGXVEEHF-MNOVXSKESA-N 237.299 1.688 30 50 BDEA c1cc2c(c(OC[C@H]3CO3)c1)CCOC2 1857780820 RMGHVXZCSKWOLT-SNVBAGLBSA-N 206.241 1.537 30 50 BDEA CC(C)[C@](C)(CO)/N=C(/O)c1cccnc1 331200188 MXGNELKQOOQNMW-LBPRGKRZSA-N 222.288 1.793 30 50 BDEA O=C1c2cccc3cc(O)cc(c23)C(=O)N1O 6667656 FLNFSJVXMHHOMM-UHFFFAOYSA-N 229.191 1.531 30 50 BDEA O=C1C=C(N2CCOCC2)c2ccccc2C1=O 1707068 CGVPOLUKPMAOAN-UHFFFAOYSA-N 243.262 1.125 30 50 BDEA Cc1c(C#N)nnc2c(-c3ccccc3)cnn12 66324487 MQDNTTOKZQVQLF-UHFFFAOYSA-N 235.250 1.971 30 50 BDEA CC[C@H](C#N)NC(=O)[C@@]1(C)CC1(F)F 335021663 MFTNEZMSPWXQAQ-HTRCEHHLSA-N 202.204 1.450 30 50 BDEA C=CCC[C@](C)(O)C#CCN1CCCC1 5018176 ACQCAVWFFUDTTE-ZDUSSCGKSA-N 207.317 1.803 30 50 BDEA C=CCn1nnnc1NCc1ccccc1OC 7601830 MBOGVWZYTLLPKV-UHFFFAOYSA-N 245.286 1.480 30 50 BDEA Cc1ccc2oc(C(=O)NCC#N)cc2n1 336365091 GRPMHXBYCBJSBY-UHFFFAOYSA-N 215.212 1.390 30 50 BDEA CC(C)CC[S+](O)(O)=C1N=NC(=N)N1 334159373 KCZJZUFZLTYDEQ-UHFFFAOYSA-N 219.290 1.210 30 50 BDEA Cc1ccccc1[C@H]1CCN(C(=O)[C@H]2CO2)C1 1875372308 CMBNAPNWQMVMTE-WCQYABFASA-N 231.295 1.710 30 50 BDEA O=C([C@H]1CO1)N1COCC[C@H]1c1ccccc1 1875373033 SCHKTNQSKUWMBJ-NWDGAFQWSA-N 233.267 1.333 30 50 BDEA O=C(NO)c1cccc(C(F)(F)F)c1 39650 LPFSRLLYUPAKNI-UHFFFAOYSA-N 205.135 1.824 30 50 BDEA in-vitro CS/C(N)=N\N=C\c1ccccc1O 5662231 CVGJFVJNYLPFSR-IZZDOVSWSA-N 209.274 1.404 30 50 BDEA C=CCn1c(=O)c(C(=O)O)c(O)c2ccccc21 150042565 UJOSXGMYVRUSFZ-UHFFFAOYSA-N 245.234 1.591 30 50 BDEA Cc1nc(O)ccc1B1OC(C)(C)C(C)(C)O1 169978284 VPWOWQWKUWVQRW-UHFFFAOYSA-N 235.092 1.395 30 50 BDEA C#CCCCCC(=O)N(CC#C)CC#N 225601827 OOTQLWWSRPTFHM-UHFFFAOYSA-N 202.257 1.165 30 50 BDEA CC1(B2OC(C)(C)C(C)(C)O2)CC(N)C1 2325904034 IJKGSVCTXBZLKJ-UHFFFAOYSA-N 211.114 1.960 30 50 BDEA CCOC(=O)CNC(=O)Nc1ccccc1C#N 2166010 NDJAKNZTCHNTTL-UHFFFAOYSA-N 247.254 1.243 30 50 BDEA CCCCN/C(N)=N/C[C@@H]1CCC=CO1 240465795 GAHHSYFATOJEFS-JTQLQIEISA-N 211.309 1.384 30 50 BDEA CCOC(C#CCO[C@H]1CCCCO1)OCC 34112468 JUQGLOFZQZNAJR-ZDUSSCGKSA-N 242.315 1.932 30 50 BDEA CN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 335398256 HFTBPCJVQSBJEB-AWEZNQCLSA-N 247.342 1.234 30 50 BDEA CCN1CCCC[C@@H]1C/N=C(/O)c1cncnc1 330879409 XXFYNFNKLUIMOZ-GFCCVEGCSA-N 248.330 1.656 30 50 BDEA C[C@@H]1C[C@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1 952892540 OKTZWYKMODVIDX-NOZJJQNGSA-N 244.298 1.234 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@@H](Oc2ccncc2)C1 1875376576 BJCUPDCWBTYRHJ-DGCLKSJQSA-N 244.294 1.521 30 50 BDEA N#Cc1ccc(Cn2ncccc2=O)cc1F 195421923 KOLHUABJDDSPFK-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA CC1=C(O)C(=O)c2c(C)ccc(O)c2C1=O 899227 BEBGSFZOQXPJCT-UHFFFAOYSA-N 218.208 1.912 30 50 BDEA biogenic,in-vitro N=C1SCC(=O)N1/N=C/c1ccccc1 5059203 JSILOAOKQUYXAC-RAVDOEDVSA-N 219.269 1.531 30 50 BDEA C=CC[C@@H](CO)NC(=O)COc1ccccc1C 241161361 KAFMMSPRBXGRQG-LBPRGKRZSA-N 249.310 1.427 30 50 BDEA N#Cc1c(F)cccc1N[C@@H]1CC[C@H]1O 335605616 UFTGKNGRUNEKBB-GHMZBOCLSA-N 206.220 1.633 30 50 BDEA C#CCN(C)[C@H](C(=O)O)c1cc(C)ccc1OC 55413646 UPDHNKBTCZSGOF-ZDUSSCGKSA-N 247.294 1.694 30 50 BDEA CC(C)(C)NC[C@H](O)c1ccc(N)c(C#N)c1 33640544 YKKQAXQGZIBJFS-LBPRGKRZSA-N 233.315 1.562 30 50 BDEA in-vitro CCC/N=C(\S)NCCCn1ccnc1 6625775 WGVUZFDRFKVABB-UHFFFAOYSA-N 226.349 1.559 30 50 BDEA Cn1nncc1C/N=C(/O)[C@H]1C[C@@H]1C1CC1 329112424 RIJPLPFQTKIJBU-ZJUUUORDSA-N 220.276 1.318 30 50 BDEA C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O 4155016 KQHCKZOYLGMBLE-OTIXFSKASA-N 233.296 1.628 30 50 BDEA CS(=O)(=O)OCc1cccnc1Cl 207131478 WIMFQCKGCIAHFX-UHFFFAOYSA-N 221.665 1.211 30 50 BDEA O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CO1 1875373389 ZSPVRYXLJAVWPH-JTQLQIEISA-N 241.674 1.234 30 50 BDEA C#CCN1CCN(Cc2cccc(F)c2)CC1 178770832 IWXSTDVFCBORSR-UHFFFAOYSA-N 232.302 1.577 30 50 BDEA COc1cccc(B2OCC(C)(C)CO2)c1C#N 169746639 RSLUOIPQHDWWMU-UHFFFAOYSA-N 245.087 1.335 30 50 BDEA in-vitro N#CCC1(CN2CCc3n[nH]cc3C2)CC1 585117103 QSJLTZCVELAFII-UHFFFAOYSA-N 216.288 1.462 30 50 BDEA N#CC1CN(C(=O)C2(c3ccccc3F)CC2)C1 590483442 KARHQAVLCORRDI-UHFFFAOYSA-N 244.269 1.839 30 50 BDEA C=CCOC(=O)CP(=O)(OCC)OCC 2556944 USZLAMOPIWNLPH-UHFFFAOYSA-N 236.204 1.982 30 50 BDEA in-vitro CC#CC(=O)N1CC(F)(c2ccccc2)C1 1875365054 RWAVPAHBOZQXBE-UHFFFAOYSA-N 217.243 1.717 30 50 BDEA CCCCC12CN3CCN(CC(C3)/C1=N/O)C2 100822914 PIHHORLYXRGOLW-OWBHPGMISA-N 237.347 1.254 30 50 BDEA Cc1[nH]c(CN(C)C[C@H]2CCOC2)cc1C#N 584902077 KBTCYMVDLYSGCM-LLVKDONJSA-N 233.315 1.663 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1N 169747240 FMQQUQQDKQTZJP-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro CN1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 170604814 ZHELMIHGWCCGQK-ZDUSSCGKSA-N 243.310 1.785 30 50 BDEA CCn1ncc(C)c1B1OC(C)(C)C(C)(C)O1 201498298 TVAZFFXUDMZDGT-UHFFFAOYSA-N 236.124 1.511 30 50 BDEA CC1(C)OB(c2cnn3ccncc23)OC1(C)C 203607503 UBBGUUCZULKRHM-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA CC1=C2CC[C@@]2(CO)[C@]2(O)CC(C)(C)C=C2C1=O 2332918151 NEUACERECJKPNT-GJZGRUSLSA-N 248.322 1.746 30 50 BDEA N#Cc1cc(Cl)cc(OC[C@H]2CO2)c1 307059312 HPNBZSPXVLLBOZ-JTQLQIEISA-N 209.632 1.989 30 50 BDEA CN(C)CCNCC#Cc1ccccc1 20215539 HKIDMEHIYWVXBK-UHFFFAOYSA-N 202.301 1.189 30 50 BDEA CC(C)(C)OC(=O)CCOCCC=O 616568083 CZRHXJWSZPQZQY-UHFFFAOYSA-N 202.250 1.324 30 50 BDEA N#Cc1ccc2occ(CC(=O)O)c2c1 261271320 LFVAVHOEOPVBCS-UHFFFAOYSA-N 201.181 1.932 30 50 BDEA O=C1C=C2CN(C(=S)S)CC[C@H]2S1 725375044 YHPPNVNNKLDTEQ-ZCFIWIBFSA-N 231.367 1.475 30 50 BDEA CC1(C)COB(c2cccc(C#N)c2)OC1 169904226 RTYUBKQTFNAFQC-UHFFFAOYSA-N 215.061 1.326 30 50 BDEA in-vitro O=c1cn[nH]c(N/N=C/C=C/c2ccccc2)n1 1776349 QMUGIUQBOIGANK-ZAUJTXRMSA-N 241.254 1.276 30 50 BDEA CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@@H]1C#N 1857778574 XFHYFTWLIMRDJR-PRJMDXOYSA-N 222.244 1.292 30 50 BDEA CCOC1CN(C(=O)[C@](C)(C#N)CC)C1 332071150 UTHPOVCFFPCJFX-NSHDSACASA-N 210.277 1.174 30 50 BDEA CC[C@@H](C#CCN(CC)CC)OC(C)=O 3669702 PVJSISAHRZNWAJ-LBPRGKRZSA-N 211.305 1.673 30 50 BDEA COc1cc(N)c(C#N)cc1Br 116900799 URSQXNXCXICOQO-UHFFFAOYSA-N 227.061 1.912 30 50 BDEA COc1ccccc1C[C@]1(C)O[C@@H]1C#N 306339588 KJJINABAZNYPJW-NEPJUHHUSA-N 203.241 1.919 30 50 BDEA N#Cc1ccc2c(c1)C(=O)c1nsnc1C2=O 38918939 KMWQHJDYCDPDNA-UHFFFAOYSA-N 241.231 1.185 30 50 BDEA O=C(N=C1N[C@H]2CCCC[C@H]2N1)c1ccccc1 49749965 WWYKJYPDLWLCMO-TXEJJXNPSA-N 243.310 1.687 30 50 BDEA C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 39039910 IMRNHROGUGVTAI-VIFPVBQESA-N 213.277 1.544 30 50 BDEA in-vitro CC#CC(=O)NC1CCC(N2CCCC2=O)CC1 1875370517 RSHZREMGTYRETC-UHFFFAOYSA-N 248.326 1.060 30 50 BDEA CC1(C)COB(c2ccccc2C#N)OC1 169747867 QHAYLPAKZXKQSE-UHFFFAOYSA-N 215.061 1.326 30 50 BDEA in-vitro CCOC(=O)c1sc(C)c(C#N)c1N 431538 KWMKAROCVBCBIM-UHFFFAOYSA-N 210.258 1.687 30 50 BDEA Cc1cnc(F)c(B2OC(C)(C)C(C)(C)O2)c1 169747879 VQBAQPBHXGGKBZ-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N)n1 200774531 ITIBNRCABNVQDX-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA CC1(C)OB(c2ccn3ncnc3c2)OC1(C)C 201191455 WFMXTDCKCIQMDT-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA N=C(N)C(F)(F)C(F)(F)C(F)(F)F 4265791 HYMJOTOLJAHZCH-UHFFFAOYSA-N 212.068 1.755 30 50 BDEA in-vitro COc1ccc(-n2cc(OC[C@H]3CO3)cn2)cc1 1875378469 DMEZSRYJDWCLSF-ZDUSSCGKSA-N 246.266 1.659 30 50 BDEA CCCCCCCCOC[C@H](O)CO 1618164 GUPXYSSGJWIURR-LLVKDONJSA-N 204.310 1.717 30 50 BDEA N#Cc1ccc(C2(O)CCNCC2)cc1 60015119 WKBHGQDRVYFORB-UHFFFAOYSA-N 202.257 1.129 30 50 BDEA Cc1c(Cl)cccc1NC(=O)C/C(N)=N/O 12372462 ZRVFCOUQOFLUGN-UHFFFAOYSA-N 241.678 1.723 30 50 BDEA N#Cc1ccc(N2C[C@@H](F)C[C@H]2CO)c(F)c1 336602183 YKYFTNYUNIMYJQ-UWVGGRQHSA-N 238.237 1.606 30 50 BDEA CN(C)[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 302881305 IXYOUYQHMGTUIZ-CYBMUJFWSA-N 240.310 1.570 30 50 BDEA COc1ccccc1N(/C=N/C#N)CC#N 5073818 CISHQIADRBOPFC-NTEUORMPSA-N 214.228 1.535 30 50 BDEA O=[N+]([O-])c1ccc(/C=N/O)c([N+](=O)[O-])c1 17301509 YVCGJBIQVLGPRJ-XBXARRHUSA-N 211.133 1.311 30 50 BDEA C=C1CC(C)(C(=O)N(C)C[C@H](C)C(=O)O)C1 863982624 WEEVYDFQXCNHOW-VIFPVBQESA-N 225.288 1.522 30 50 BDEA O=C([C@@H]1CO1)N1C[C@H](F)C[C@@H]1c1ccccc1 1875373045 SKRPVYRFNZKIDP-UTUOFQBUSA-N 235.258 1.697 30 50 BDEA C#CCSCCNc1ncnc(N)c1Cl 236361199 CUMBCVFSFQFULE-UHFFFAOYSA-N 242.735 1.491 30 50 BDEA C[C@@H](C#N)NC(=O)[C@@H]1CCCC(F)(F)C1 308598816 AKULALYPIFZWOI-JGVFFNPUSA-N 216.231 1.840 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C=O)C1 216161890 ZLATZYJENAGYJD-BXKDBHETSA-N 225.288 1.832 30 50 BDEA CC(=O)C[C@@H](C)/N=C(/O)c1ccn(C)c1 330588356 YPKCWFIVDAOPJI-MRVPVSSYSA-N 208.261 1.697 30 50 BDEA N#CCc1ccc(C(F)(F)F)nc1N 238624117 PJKBZUDTSLXJDQ-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA C[C@H](C#N)CNC(=O)N1CCC[C@@H]1CF 334795954 WNBKXQDTOTXKGD-RKDXNWHRSA-N 213.256 1.290 30 50 BDEA O/N=C1\[C@@H]2[C@@H]3/C(=N\O)[C@@H]4[C@@H]1[C@H]1[C@@H]4[C@@H]3C[C@@H]21 257345154 SVFZGSIUSSQSRE-KWIDARATSA-N 204.229 1.035 30 50 BDEA Cc1cnn(CCNc2nc(C)ccc2C#N)c1 161279994 YZEISZWACAHKDE-UHFFFAOYSA-N 241.298 1.879 30 50 BDEA C=CCC[C@@H](O)CN1C[C@H]2[C@@H](O)CC[C@H]2C1 886579241 GBXSBGGLQBBBDS-LOWDOPEQSA-N 225.332 1.016 30 50 BDEA CCOC(=O)[C@@H](C#N)c1cccc(OC)c1 2530174 DUUYWFVQWCQZPN-NSHDSACASA-N 219.240 1.865 30 50 BDEA CCn1cc(-c2n[nH]cc2/C(O)=N/C2CC2)cn1 330247844 ZARYFYAHRFDQEI-UHFFFAOYSA-N 245.286 1.760 30 50 BDEA C[Si](C)(C)CCB1OCCNCCO1 197009496 JVVGQCBXTAHGNA-UHFFFAOYSA-N 215.178 1.449 30 50 BDEA C#CCN[C@@H](C(C)C)[C@H](O)c1ccccc1 390306571 DUPPCYAIRPLLJL-UONOGXRCSA-N 217.312 1.967 30 50 BDEA C/N=C(\N)N1CCS[C@H](C(C)C)C1 170590902 YGMYJFSGBSCBQZ-QMMMGPOBSA-N 201.339 1.004 30 50 BDEA CC#CC[C@H](CO)NC[C@H]1CCSC1 585118514 RUAKIDQKVHBNKY-GHMZBOCLSA-N 213.346 1.103 30 50 BDEA C#CCCC(=O)NCCc1ccc(O)cc1 236629392 CQZJBJSXQYZLEX-UHFFFAOYSA-N 217.268 1.464 30 50 BDEA N#Cc1ccn(-c2ccc(F)cc2)c(=O)c1 16159484 VKAQFJQEIZUANZ-UHFFFAOYSA-N 214.199 1.848 30 50 BDEA C[C@@H]1CN(C(=O)[C@H]2CO2)C[C@H](c2ccccc2)O1 1875372472 GULUYBSFPPQENK-RAIGVLPGSA-N 247.294 1.374 30 50 BDEA CCOC(=O)COc1nc2c(cc1C#N)CCC2 6659172 ZQIQZBBOUIZYJO-UHFFFAOYSA-N 246.266 1.384 30 50 BDEA C=CCN1CCN(C(=O)C2CCCC2)CC1 20160876 PCEFVOPHLNLGMZ-UHFFFAOYSA-N 222.332 1.507 30 50 BDEA CCOS(=O)(=O)c1cccc2cccnc12 71774065 DOUJUESPGUUHMX-UHFFFAOYSA-N 237.280 1.960 30 50 BDEA CCO/C(=C/C(=O)C(F)(F)F)NC(C)C 79387672 IFPPDBIEVBFTJR-VMPITWQZSA-N 225.210 1.994 30 50 BDEA CCC#CCN1CCN(CC(C)C)C(=O)[C@H]1C 1529094725 KJQCNZGNUQGQSS-CYBMUJFWSA-N 236.359 1.589 30 50 BDEA CN(C)C(=O)c1ccc(NC(=O)CC#N)cc1 2641180 YDQAREMCYDXCBC-UHFFFAOYSA-N 231.255 1.241 30 50 BDEA in-vitro N#C/N=C(\S)SCS/C(S)=N/C#N 4268797 FFWVGEMTNZEOSO-UHFFFAOYSA-N 248.383 1.944 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@H](CO)C(C)(C)[C@@H]1C 1875376962 OECGEKATCQABEW-IJLUTSLNSA-N 237.343 1.559 30 50 BDEA CC#CC(=O)NCc1cnc2ccsc2c1 1875379486 RGSXJKPFXDZQMH-UHFFFAOYSA-N 230.292 1.936 30 50 BDEA C=C[C@@]12CCC(=O)N1[C@@H](C(C)(C)C)O[C@@H]2O 215637244 DAGVYBNUTMALEB-SCVCMEIPSA-N 225.288 1.254 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@H]4[C@H]3C[C@H]2[C@H]14 230159604 JWHDYBQMUQNNIA-FPCPCUPKSA-N 206.245 1.569 30 50 BDEA Cc1nsc(NCC2(O)CCC2)c1C#N 380273917 XDFWILRTRCJEPM-UHFFFAOYSA-N 223.301 1.650 30 50 BDEA CN1C(=O)C[C@@](CCC#N)(c2ccccc2)C1=O 71773208 HFWRXNVZZGDSAA-AWEZNQCLSA-N 242.278 1.617 30 50 BDEA CC(C)(C)OC(=O)N1CCCC[C@@H]1C=O 2577449 KZNDGAGWQPGYTB-SECBINFHSA-N 213.277 1.975 30 50 BDEA in-vitro C[C@@H]1O[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1 1875322436 SWEWIRXBGFSNIK-WCFLWFBJSA-N 231.295 1.790 30 50 BDEA C=C(CC(=O)OCc1ccccc1)C(=O)O 29753877 SKBASSYZBXKFKB-UHFFFAOYSA-N 220.224 1.761 30 50 BDEA NC(=O)/N=C(/N)Nc1ccc(Cl)cc1 95918033 SENRXQNLMOCTKF-UHFFFAOYSA-N 212.640 1.145 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]2CC1 140449873 QNJVBPPJFXYXHP-DTORHVGOSA-N 213.277 1.785 30 50 BDEA CCN(CC(N)=O)Cc1ccc(F)c(C#N)c1 191725528 WPDYUJDFRFWWCF-UHFFFAOYSA-N 235.262 1.005 30 50 BDEA Cc1ccc(S(=O)(=O)OC2COC2)cc1 16083104 UMFWNFVHKAJOSE-UHFFFAOYSA-N 228.269 1.099 30 50 BDEA in-vitro O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)[C@@H]1CO1 1875373062 SWBOCIICULHSAD-UPJWGTAASA-N 247.294 1.249 30 50 BDEA O=C(NCC1(c2ccccc2)CC1)[C@H]1CO1 1875372408 FRKCOTBIUUDWIA-LLVKDONJSA-N 217.268 1.233 30 50 BDEA CCOC(=O)Cn1c(C)c(C)c(C#N)c1N 6463516 NCVQQAKAQWEVRT-UHFFFAOYSA-N 221.260 1.122 30 50 BDEA CCO/N=C(/C)c1c(O)cc(C)n(C)c1=O 6758029 CRVYOCUCNFJSFJ-WQLSENKSSA-N 224.260 1.160 30 50 BDEA O/C(=N/CCn1ncnn1)C(C1CC1)C1CC1 328736886 LJIKKCASDAAYBJ-UHFFFAOYSA-N 235.291 1.066 30 50 BDEA CCC[C@@]1(C(=O)OCC)O[C@@]1(C)COC 212098941 DVYQCXURJIAUED-QWRGUYRKSA-N 216.277 1.524 30 50 BDEA N#Cc1ccc(-c2cnc3nonc3n2)cc1 1848444070 HOKWAXNKELQIGU-UHFFFAOYSA-N 223.195 1.551 30 50 BDEA CC(C)(NO)/C(=N\O)c1ccc(F)cc1 15659758 HDSJIPTWFABFGQ-XFXZXTDPSA-N 212.224 1.761 30 50 BDEA Cc1cc(C)nc(N=C2N[C@@H]3CCCC[C@H]3N2)n1 6922202 KIPAFZNQLYQZBG-GHMZBOCLSA-N 245.330 1.585 30 50 BDEA CN(C)C(=NCC[S@](=O)C(C)(C)C)N(C)C 241383295 MUAXYZZRVBLQMO-INIZCTEOSA-N 247.408 1.013 30 50 BDEA C#CCOc1cccc(C=Nn2cnnc2)c1 16156383 SSNBZIBNYNHUPW-UHFFFAOYSA-N 226.239 1.172 30 50 BDEA Cc1cnc(F)cc1B1OC(C)(C)C(C)(C)O1 169969397 UAPUIZLKGCQCRM-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@H]2O[C@H]2C1 34566891 PHSSLYCBJRMEEV-NEPJUHHUSA-N 233.267 1.796 30 50 BDEA in-vitro C=C1CC[C@H]1NC(=O)c1cc(O)nc(C2CC2)n1 1875308718 TWEGIUBWTKHXKT-SECBINFHSA-N 245.282 1.508 30 50 BDEA CC#CC(=O)N(C)[C@H](C#N)c1cccc(O)c1 1875309063 PGYILPXIVSLILH-GFCCVEGCSA-N 228.251 1.439 30 50 BDEA N/C(=N\O)c1ncc(C(F)(F)F)cc1Cl 4051664 VSKGVOPVZKZMBT-UHFFFAOYSA-N 239.584 1.848 30 50 BDEA N#Cc1ccc(CO)c(Br)c1 71863603 LMKVEJWFFPCGJC-UHFFFAOYSA-N 212.046 1.813 30 50 BDEA in-vitro COc1nc(C(F)(F)F)ccc1C#N 86880620 QSOSJQGBTVGIEN-UHFFFAOYSA-N 202.135 1.981 30 50 BDEA Cc1ccc(Cc2nnn(CCCC#N)n2)cc1 170606278 WIAJDFJBRFWDLR-UHFFFAOYSA-N 241.298 1.876 30 50 BDEA C=CCc1ccccc1OC[C@@H](O)CNC 795265 DTFPUFZXVSZQHE-LBPRGKRZSA-N 221.300 1.374 30 50 BDEA in-vitro C/C(=N\N1CCOCC1)c1cccs1 5494484 KMRCDLRMLPZEHI-PKNBQFBNSA-N 210.302 1.804 30 50 BDEA CC#CC(=O)N[C@H]1c2cccc(F)c2O[C@@H]1C 1875363214 GTWWQHFQJSMNSX-PRHODGIISA-N 233.242 1.787 30 50 BDEA C=C1C[C@@H]1CNC(=O)c1cc(O)nc(C2CC2)n1 1875302035 XNHILPQIQIPMLT-SECBINFHSA-N 245.282 1.366 30 50 BDEA COc1cccc([C@H]2C[C@H](NC(=O)[C@@H]3CO3)C2)c1 1875372326 CWSPOBPGXVOBOU-GVXVVHGQSA-N 247.294 1.456 30 50 BDEA Cc1ccc(OCCNC(=O)CC#N)cc1 3184405 QHYAJNDIDCEATA-UHFFFAOYSA-N 218.256 1.404 30 50 BDEA C#CCn1c([C@H](C)NC=O)nc2ccccc21 4810134 VAXOEHFQLOJRKP-JTQLQIEISA-N 227.267 1.477 30 50 BDEA C=CCC[C@H](C)NC[C@@]1(O)CCSC1 134927046 UMKPMUDXHLRZBP-QWRGUYRKSA-N 215.362 1.799 30 50 BDEA CSC(=C1C=CC(=O)C=C1)N1CCOCC1 334157432 RXNMPGODQYSQKO-UHFFFAOYSA-N 237.324 1.588 30 50 BDEA CCN1CCN(c2ccc(C#N)cc2OC)CC1 95217822 PQYJZNRENLHALQ-UHFFFAOYSA-N 245.326 1.709 30 50 BDEA CCN1CC[C@@H](Nc2ccc(C#N)cc2F)C1=O 241588257 PBJQXOWOCLLZMV-GFCCVEGCSA-N 247.273 1.730 30 50 BDEA Cc1c(Br)cnc(N)c1C#N 21989900 MRSKAISFGNZSIP-UHFFFAOYSA-N 212.050 1.606 30 50 BDEA in-vitro CC#CC(=O)N[C@@H]1c2ccccc2CC[C@H]1CO 1875363268 QTGYLSBJSPALSU-WFASDCNBSA-N 243.306 1.422 30 50 BDEA CCc1nnc(S)n1/N=C/c1ccco1 6519870 DPNXKQAHRFPKPW-UXBLZVDNSA-N 222.273 1.604 30 50 BDEA C=CCNCCOc1ccc(C#N)cc1 6701034 LBVCOBWCSZEPNB-UHFFFAOYSA-N 202.257 1.713 30 50 BDEA N#Cc1cccc(CNC2CSC2)c1 306382808 UTKMVZBKIGWDFB-UHFFFAOYSA-N 204.298 1.763 30 50 BDEA COc1cc2c(cc1OC)C(=O)/C(=N/O)C2 100543358 AXBBGHFTZOZJHA-XYOKQWHBSA-N 221.212 1.273 30 50 BDEA CCNC(=O)/C(C)=N/Nc1ccccc1 308672537 ADTHYBMTCMTSNL-UKTHLTGXSA-N 205.261 1.611 30 50 BDEA CCN(CC/N=C(/N)NC)c1ccccc1C 253416591 QFBCZBDNUKOKFD-UHFFFAOYSA-N 234.347 1.355 30 50 BDEA C=CCNC(=O)Cc1ccccc1OC 3001956 FCROQVQVLCVONX-UHFFFAOYSA-N 205.257 1.540 30 50 BDEA CC(C)[C@H](O)C1(CNc2cnc(C#N)cn2)CC1 274655953 DMBWNMRWMCRDGT-LBPRGKRZSA-N 246.314 1.557 30 50 BDEA C=CCn1cc(CN(C)CC(C)(C)CO)cn1 1506404063 VBIKXOGGELPWIQ-UHFFFAOYSA-N 237.347 1.519 30 50 BDEA COc1cc(Br)cnc1C#N 35270366 WIRVBLLSXJUOHZ-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA in-vitro N#Cc1nccnc1N[C@@H]1CCC[C@H]2OCC[C@@H]12 230155234 IXOXDUPYFYWDAC-HOSYDEDBSA-N 244.298 1.718 30 50 BDEA Cc1ccc(C(=O)O)c(N2CCC[C@@H](C#N)C2)n1 32587027 BJDOBGJPUDABSJ-JTQLQIEISA-N 245.282 1.828 30 50 BDEA CC(=O)/C=C(\C)NCCN/C(C)=C/C(C)=O 100221541 JBPDKWSODLKWPV-FIFLTTCUSA-N 224.304 1.151 30 50 BDEA N#C[C@@H]1COCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 247713115 LGWJBMGGSJVWDB-GMTAPVOTSA-N 234.299 1.174 30 50 BDEA CC1(C)OB(c2ccc(C(=O)O)nc2)OC1(C)C 169902044 ZKLNHTITLZJRAK-UHFFFAOYSA-N 249.075 1.079 30 50 BDEA CC1(C)C(=O)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1 4751689 AXFSGAGJHJHOBM-MNOVXSKESA-N 242.278 1.593 30 50 BDEA CC1(C)OB(c2[nH]ncc2Cl)OC1(C)C 238176099 UXEGLBGGOJIZEF-UHFFFAOYSA-N 228.488 1.362 30 50 BDEA CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CCOC1 191428378 ZAFASHWZXFPGKD-NSHDSACASA-N 233.315 1.365 30 50 BDEA CC#CC(=O)N[C@H]1c2ccccc2CC[C@@H]1CO 1875363266 QTGYLSBJSPALSU-IUODEOHRSA-N 243.306 1.422 30 50 BDEA N#Cc1ccc(CSCCc2nn[nH]n2)o1 882191677 PQICZHRMQGJMAW-UHFFFAOYSA-N 235.272 1.140 30 50 BDEA N#CC[C@@H](O)CN1C[C@@H](F)[C@@H](c2ccccc2)C1 2325772050 QXYFFSYSFKAQOH-MGPQQGTHSA-N 248.301 1.698 30 50 BDEA O=C(C[n+]1ccccc1)c1ccc(F)cc1 1666160 UMJUQNCLXJFVTN-UHFFFAOYSA-N 216.235 1.996 30 50 BDEA C=CCNc1ccccc1C(=O)N[C@H](CC)CO 55284810 OHOLDOFBUZIRFR-LLVKDONJSA-N 248.326 1.785 30 50 BDEA CCOC(=O)[C@H](C#N)c1ccc(OC)c(OC)c1 39299398 YHESBDUINPOZFB-SNVBAGLBSA-N 249.266 1.874 30 50 BDEA N#Cc1cnn(-c2cccc3ncccc23)c1N 220717496 YWJNUFRXMVISPT-UHFFFAOYSA-N 235.250 1.874 30 50 BDEA COc1cc(OC)cc(/C(O)=N/CC(=O)O)c1 82069840 UFBSPOIKQBQXCT-UHFFFAOYSA-N 239.227 1.093 30 50 BDEA c1ccc(CO[C@H]2[C@@H]3O[C@H]3[C@H]3OC[C@H]2O3)cc1 252445541 YVZYNXNBLFZJNU-LBELIVKGSA-N 234.251 1.094 30 50 BDEA N#Cc1ccnc(-c2cc(C#N)ccn2)c1 15781909 IUMFOUVCDJGKNS-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA C=C(CC(C)C)C(=O)NC[C@H](O)C(F)(F)F 1119714625 FAOYMEDQPBNRDS-QMMMGPOBSA-N 239.237 1.628 30 50 BDEA Cc1ccc([N+](=O)[O-])c(C#N)c1[N+](=O)[O-] 65336743 GWFIKVZNVDFMQB-UHFFFAOYSA-N 207.145 1.683 30 50 BDEA N#Cc1ccc([N+](=O)[O-])c2c1CCCN2 253393571 OBGHIWWOSNHEBM-UHFFFAOYSA-N 203.201 1.825 30 50 BDEA NC(N)=Nc1nc(-c2ccsc2)cs1 72416557 LDRPCAKURPEDJK-UHFFFAOYSA-N 224.314 1.777 30 50 BDEA Cc1nc2cccc(C(=O)NCC#N)c2[nH]1 335926901 NUFPTPNRZQNOCW-UHFFFAOYSA-N 214.228 1.125 30 50 BDEA N#CCc1cc(C2OCCO2)ccc1[N+](=O)[O-] 43190991 AEQVRNHZOVLETE-UHFFFAOYSA-N 234.211 1.706 30 50 BDEA C=CCOC(=O)[C@@H]1NCSC1(C)C 95099736 LICLMCJVHHRELK-ZETCQYMHSA-N 201.291 1.157 30 50 BDEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@@H]3C[C@@H]12 252427854 INYGWUFTISSLHX-ICPNMFKQSA-N 208.257 1.361 30 50 BDEA C#C[C@]1(O)C[C@H](C)NC[C@@]1(C)CCC#N 169294503 GLAUMXWUXMHJQQ-TUAOUCFPSA-N 206.289 1.043 30 50 BDEA C=C(CC)CN1C(=O)CCN(CCCF)C1=O 1875312835 CBMBKQQAFOHMIU-UHFFFAOYSA-N 242.294 1.967 30 50 BDEA Cc1noc(=O)n1Cc1ccc(F)cc1C#N 1875391322 FJXOTCUKBFFDOQ-UHFFFAOYSA-N 233.202 1.204 30 50 BDEA C[C@@H](C#N)C(=O)N[C@H]1CCCC(F)(F)C1 335884929 PZDDMWYKSGNKBI-YUMQZZPRSA-N 216.231 1.840 30 50 BDEA Cc1ncoc1/C(O)=N/CC/N=C(/O)C1CC1 329973683 WYCFWYIBKHKRLY-UHFFFAOYSA-N 237.259 1.654 30 50 BDEA CCCCCCCNC(=O)CCC(=O)O 2835856 CMRCPAVJWXVKKZ-UHFFFAOYSA-N 215.293 1.938 30 50 BDEA C[C@H]1COCCN1CC/N=C(/O)c1cc[nH]c1 330688555 UZJGBCANUDEQER-JTQLQIEISA-N 237.303 1.040 30 50 BDEA CN(C[C@@H]1CCCOC1)c1ccc(C#N)nc1 149412975 SUEVHZJUJGDHRI-NSHDSACASA-N 231.299 1.816 30 50 BDEA OCCc1ccc(OC[C@@H]2CO2)c(Cl)c1 1857780063 FFTAXMNKHMXFJY-VIFPVBQESA-N 228.675 1.652 30 50 BDEA N#Cc1ccc(N[C@@H]2C[C@H]2CO)c(F)c1 308898324 BESNOBRQTKQZLR-GZMMTYOYSA-N 206.220 1.490 30 50 BDEA Cn1ncc(C#N)c1/N=C/N1CCCCCC1 101072064 NVHDCXFLWGLHSN-GXDHUFHOSA-N 231.303 1.828 30 50 BDEA COc1ccc2c(c1)CC/C(=C/C(=O)O)C2=O 36427203 MAHPIJDPKFYPDB-CLFYSBASSA-N 232.235 1.835 30 50 BDEA C=CCNC(=O)c1scc2c1OCCO2 2192529 BFGMVOQSSWWRQN-UHFFFAOYSA-N 225.269 1.435 30 50 BDEA N#CCCN(N)c1nc2ccccc2o1 6118711 BTWPJQHMHFDOPH-UHFFFAOYSA-N 202.217 1.422 30 50 BDEA in-vitro N#CCC1CCN(C(=O)N[C@@H]2CC23CC3)CC1 335160864 PPNYBPMECOCOEU-LLVKDONJSA-N 233.315 1.874 30 50 BDEA CC(C)(C)NC(=O)NC1=CC(=O)CCC1 71773333 YDIFANJGYCFZIU-UHFFFAOYSA-N 210.277 1.721 30 50 BDEA C=C1CC(=O)N(c2ccc(F)cc2F)C1=O 950733943 GUSGRGMPEDNRNA-UHFFFAOYSA-N 223.178 1.784 30 50 BDEA COCCCC(=O)N1CCCC(C)(C)[C@H]1C#N 408396539 PWZCWVQOPTWSJN-LLVKDONJSA-N 238.331 1.954 30 50 BDEA CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169969293 ISRQZHALMLGEGD-UHFFFAOYSA-N 247.103 1.583 30 50 BDEA O=C(NCCC1Cc2ccccc2C1)[C@@H]1CO1 1875372235 ANRUCFSAOICFCA-ZDUSSCGKSA-N 231.295 1.307 30 50 BDEA COc1ccc(C#CC(=O)O)cc1OC 393020 NFYMTYGXJXAZEG-UHFFFAOYSA-N 206.197 1.140 30 50 BDEA CCNC(=S)N/N=C/c1ccc(C)cc1 2390771 RIYQDFVLQMDCFB-MDWZMJQESA-N 221.329 1.813 30 50 BDEA C=CCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 4840696 PUAUXJCDAXNTNR-CQSZACIVSA-N 245.278 1.460 30 50 BDEA COc1cc(C#N)ccc1N1CCOCC1 62608508 RFGATKXIMXTDLP-UHFFFAOYSA-N 218.256 1.403 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC#N)C1 257986866 CHZMTYJWURGDSB-RKDXNWHRSA-N 226.276 1.128 30 50 BDEA CCOC(=O)c1cc2ncc(C#N)cc2[nH]1 30678235 JDBMVTZPAWFANZ-UHFFFAOYSA-N 215.212 1.611 30 50 BDEA C[C@@H](F)CC/N=C(/O)c1cccnc1O 330769768 ALQHODYUZDZEIQ-SSDOTTSWSA-N 212.224 1.840 30 50 BDEA Cc1nc(N[C@H](C(N)=O)C(C)C)ccc1C#N 291810639 FJVFEDJKEJNJNK-NSHDSACASA-N 232.287 1.184 30 50 BDEA C=C[C@H](C)OC(=O)c1cc(C)nc(O)c1 187600758 APMAOEOZTFRNPQ-QMMMGPOBSA-N 207.229 1.827 30 50 BDEA N#Cc1ccc(=NCC[C@H]2CCCCO2)[nH]c1N 563427606 QKQXTJSQOZWLJO-LLVKDONJSA-N 246.314 1.328 30 50 BDEA C#CCN(CC/C=C/CC)S(=O)(=O)CC 194655789 YLDURMBBMWCXPW-BQYQJAHWSA-N 229.345 1.628 30 50 BDEA COc1cc2c(c(OC[C@@H]3CO3)c1)C(=O)OC2 1875390060 PMTBOMYMOOWDEJ-VIFPVBQESA-N 236.223 1.143 30 50 BDEA OCC1(/N=C(/O)[C@H]2C[C@@H]2C2CC2)CCOCC1 328969239 OBYZYRHPNLHZIG-MNOVXSKESA-N 239.315 1.531 30 50 BDEA CCOS(=O)(=O)c1ccc(C)cc1 1648308 VRZVPALEJCLXPR-UHFFFAOYSA-N 200.259 1.720 30 50 BDEA in-vitro N#CCN(C(=O)c1ccc2cc[nH]c2n1)C1CC1 329267154 FYKUJKATDGWEPT-UHFFFAOYSA-N 240.266 1.691 30 50 BDEA C=CC[C@]1(CO)CCCN(CC(C)(C)N)C1 91595742 NQSZQZQTGPTGQH-ZDUSSCGKSA-N 226.364 1.374 30 50 BDEA O/N=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 257345155 SVFZGSIUSSQSRE-SLWKSTAYSA-N 204.229 1.035 30 50 BDEA NC(=S)NN=C/C=C\c1ccccc1 252463695 SHUQFXIRXYXNOZ-RMPRAXAASA-N 205.286 1.519 30 50 BDEA C=CCNc1cc([C@H]2CCOC2)nc(N)n1 299759461 SCBCRMBNTVHMOT-QMMMGPOBSA-N 220.276 1.161 30 50 BDEA CN(C)/C=C/C(=O)c1cccc(C#N)c1 143067 SLKQIWXTDLZLPZ-VOTSOKGWSA-N 200.241 1.816 30 50 BDEA N#CC[C@@H]1CN(Cc2ccccc2)CCO1 26894947 IMCDTSZTCIFXNN-CYBMUJFWSA-N 216.284 1.801 30 50 BDEA in-vitro COc1ccc(C(=O)/C=C2\NC(=O)CS2)cc1 12341597 NCDRCSXDLFLEDJ-WUXMJOGZSA-N 249.291 1.582 30 50 BDEA CC1(C)C[C@@](O)(C#CBr)CCO1 12384391 PNTOQEYPVUYMDE-SECBINFHSA-N 233.105 1.662 30 50 BDEA O=C(NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CO1 1875373274 XKIXNEXPWLGOPN-XQQFMLRXSA-N 247.294 1.422 30 50 BDEA CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S 2583252 KATRCIRDUXIZQK-ZCFIWIBFSA-N 249.332 1.673 30 50 BDEA C[Si](C)(C)C#Cc1nc(Cl)cnc1N 238518398 WGQWNFMNOPZVDC-UHFFFAOYSA-N 225.755 1.941 30 50 BDEA O=C1[C@H]2CC[C@@H](C2)[C@H]1[C@@]1(O)/C(=N/O)[C@H]2CC[C@H]1C2 257355794 CSDDVTKWNGAZNC-PJQUOODXSA-N 249.310 1.593 30 50 BDEA CC1(C)OB(c2cc(F)cc(C#N)c2)OC1(C)C 169903305 WWDTYZLFIFQZDE-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro C#CC(C)(C)C(C(=O)OCC)C(=O)OCC 1733386 GNCXYZOCHNPJEF-UHFFFAOYSA-N 226.272 1.388 30 50 BDEA C=C(C)C(=O)OCCOCCOCC 2571921 WFTWWOCWRSUGAW-UHFFFAOYSA-N 202.250 1.159 30 50 BDEA N#Cc1cccnc1SCC(=O)NC1CC1 7051515 MLQWIISYDUXUQV-UHFFFAOYSA-N 233.296 1.324 30 50 BDEA Cc1cc(=O)[nH]c(N/N=C/c2ccc(F)cc2)n1 8766872 MLQKVTCNTCMLDA-VGOFMYFVSA-N 246.245 1.663 30 50 BDEA C=CCN(CCc1ccccc1)C(=O)[C@@H](C)N 155689721 AYNOABZAJFZPOB-GFCCVEGCSA-N 232.327 1.591 30 50 BDEA CN1CC[C@@H]2CCN(c3cc(C#N)ccn3)[C@@H]2C1 284892010 HCNXPJZQDPHACW-CHWSQXEVSA-N 242.326 1.484 30 50 BDEA N#Cc1ccnc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1 295086199 RREUSSWYDPFISV-ZYHUDNBSSA-N 244.298 1.718 30 50 BDEA COc1cccc(/C(O)=N/CC(=O)O)c1 82069812 JPKBHIBVUXBFSZ-UHFFFAOYSA-N 209.201 1.084 30 50 BDEA in-vitro CC1(C)OB(c2ccc(C#N)c(O)c2)OC1(C)C 169956105 BBTAKLYSMLVVNR-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA in-vitro C=C1CC(C)(C(=O)N2CCC[C@@H](C(=O)O)C2)C1 908599155 QAQLYEZDYDDSCY-SNVBAGLBSA-N 237.299 1.666 30 50 BDEA Cc1cc(B2OCCCO2)sc1C=O 169794512 HWKMZYCWSDPJQH-UHFFFAOYSA-N 210.063 1.001 30 50 BDEA Cc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)o1 371325371 DJJUYOCFRILWML-CYBMUJFWSA-N 245.326 1.760 30 50 BDEA C(=N/n1ccnn1)\[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2325791754 ILCZOLPRBIUFLP-SQMIJZROSA-N 202.261 1.404 30 50 BDEA Cc1ccc(OCC/N=C(\N)N(C)C)cc1 170905942 FUWZBQWHJOXLTJ-UHFFFAOYSA-N 221.304 1.250 30 50 BDEA O/C(=N/Cc1ccncn1)[C@@H]1CCCN1C1CC1 329188337 QJCRDKVUBROWGX-LBPRGKRZSA-N 246.314 1.560 30 50 BDEA C[C@H](/N=C(\O)OCc1ccccc1)C(=O)O 82067834 TYRGLVWXHJRKMT-QMMMGPOBSA-N 223.228 1.590 30 50 BDEA in-vivo CC1(C)OB(c2cc(N)ccc2F)OC1(C)C 169747261 FBZFLAGIPHQJBF-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro CCC[C@@H](C#N)NC(=O)c1ccc2ncnn2c1 1615586480 OUWJASAXNVVEOG-JTQLQIEISA-N 243.270 1.151 30 50 BDEA CC#CC(=O)N1CC[C@@H](CC#N)C(F)(F)C1 1875370476 QBLJFARZUUFASD-SECBINFHSA-N 226.226 1.407 30 50 BDEA C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1CF 334795952 WNBKXQDTOTXKGD-DTWKUNHWSA-N 213.256 1.290 30 50 BDEA CC(C)(C)OC(=O)Nc1cc(C#N)no1 238855953 UIEPNKUSEUVEAK-UHFFFAOYSA-N 209.205 1.893 30 50 BDEA CC1(C)COB(c2ccccc2F)OC1 169844745 ZNFBLQHZFSLYQB-UHFFFAOYSA-N 208.041 1.594 30 50 BDEA in-vitro C[C@H]1CC(C)(C)OB(c2ccc(C#N)cc2)O1 169808879 RLBAAYVYBDCJNP-JTQLQIEISA-N 229.088 1.857 30 50 BDEA in-vitro C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4401921 UEQLSLWCHGLSML-UHFFFAOYSA-N 210.149 1.531 30 50 BDEA in-vitro O=C(/C=C1/C=CS(=O)(=O)C1)c1ccccc1 1318590 DXJQQRALIWOZEY-NTMALXAHSA-N 234.276 1.738 30 50 BDEA COc1cc(CC#N)ccc1OC(C)=O 1747243 DEEQADZOQLBLMP-UHFFFAOYSA-N 205.213 1.687 30 50 BDEA in-vitro c1cc(OC[C@H]2CO2)ccc1OC[C@@H]1CO1 40714 FSYPIGPPWAJCJG-TXEJJXNPSA-N 222.240 1.242 30 50 BDEA CCCNS(=O)(=O)Cc1ccc(C#N)cc1 10224466 OMSQEELDMFBCPO-UHFFFAOYSA-N 238.312 1.388 30 50 BDEA C#CCN(C)C(=O)c1cc(C(C)=O)cs1 225637815 DFOZQKMQXKXUDP-UHFFFAOYSA-N 221.281 1.656 30 50 BDEA N#CCCn1cc(C(F)(F)F)ccc1=O 2557590 XPDYUFCKIKYSIY-UHFFFAOYSA-N 216.162 1.781 30 50 BDEA C[C@H]1C[C@@H](C(F)F)n2ncc(C#N)c2N1 2783399 PZTDOZPYZTUGGM-FSPLSTOPSA-N 212.203 1.765 30 50 BDEA CCc1ccc(Cn2cc(CCC#N)nn2)nc1 603253337 XTZCBDFTASGYSP-UHFFFAOYSA-N 241.298 1.740 30 50 BDEA C#Cc1ccc(C(=O)N2CCOCC2)cc1 98179575 YQKWBFZGLGMZCT-UHFFFAOYSA-N 215.252 1.140 30 50 BDEA CC1(C)OB(c2cc(F)cnc2N)OC1(C)C 206158545 RHONKGQUKBKRGQ-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA N#C[C@@H](OC(=O)/C=C/c1ccc[nH]1)C1CC1 170609483 RYVDRNQQUNDUQL-MVIFTORASA-N 216.240 1.873 30 50 BDEA N#C[C@H](c1ccccc1)N1CCOCC1 19419068 MWZPYQLYZXTCLZ-GFCCVEGCSA-N 202.257 1.583 30 50 BDEA in-vitro O=C1CCCCN1c1cccc(OC[C@@H]2CO2)c1 1875379720 VKLLZKRVKUGIRP-CYBMUJFWSA-N 247.294 1.981 30 50 BDEA CN(C)/C(N)=N/Cc1cccc2c1OCCCO2 119579197 XRMSBWWKXWQLMY-UHFFFAOYSA-N 249.314 1.224 30 50 BDEA CC(C)[C@@H]1NC(=O)NC2=C1C(=O)CC(C)(C)C2 390472 SZYNKKZRZOLFQE-NSHDSACASA-N 236.315 1.967 30 50 BDEA C#C[C@H](NC(=O)N[C@@H]1CC[C@H](OC)C1)C(C)C 225594415 LMPGQDAQCZCJOQ-WOPDTQHZSA-N 238.331 1.511 30 50 BDEA CC#CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 125735330 CSGIDDJUUNDLLG-VXGBXAGGSA-N 243.372 1.345 30 50 BDEA N#Cc1ncn(CCCCCCO)c1C#N 126435810 WAVNXZIIUJFHGV-UHFFFAOYSA-N 218.260 1.179 30 50 BDEA CC[C@H](CC#N)NC(=O)c1ccc(F)cc1O 183913264 LTGLXMLNUKCFJA-SECBINFHSA-N 236.246 1.953 30 50 BDEA C=CCNC(=O)CN[C@@H]1CC(C)(C)C[C@@H]1C 193146181 HVKVDVOLCZNDGD-WDEREUQCSA-N 224.348 1.703 30 50 BDEA CC1(C)Oc2cccc(OC[C@H]3CO3)c2O1 196156893 LXKXJNHAEKBQTD-MRVPVSSYSA-N 222.240 1.972 30 50 BDEA O/C(=N/[C@@H]1[C@H]2COC[C@H]21)C1(O)CCCCC1 330082027 GYQBADLZOOQITR-MYJAWHEDSA-N 225.288 1.283 30 50 BDEA COc1c(/C(N)=N/O)cc(C)c2c1CCC2 4336096 DOZVUAFDMCDLHA-UHFFFAOYSA-N 220.272 1.587 30 50 BDEA COc1ccc(NC(=O)CC#N)c(OC)c1 2163490 DNTNHFNYAPVBQU-UHFFFAOYSA-N 220.228 1.556 30 50 BDEA in-vitro N#Cc1ccc(NC[C@H](CO)[C@H]2CCOC2)cn1 330073851 KSGHRLXMLKOYAF-WDEREUQCSA-N 247.298 1.010 30 50 BDEA CC(C)Oc1cccc(CNC(=O)[C@@H]2CO2)c1 1875372662 KKPLXFGFALUQSY-LBPRGKRZSA-N 235.283 1.489 30 50 BDEA C=C(C)[C@@](C)(C#CCN1CCCC1)OC(C)=O 68201 RIHDUOOUUQQEMV-CQSZACIVSA-N 235.327 1.984 30 50 BDEA CC(=O)O[C@@H](C)CC#CCN1CCCCC1 2493665 WZOIIPDVJDPOLC-LBPRGKRZSA-N 223.316 1.817 30 50 BDEA CC1(C)C(=O)NC(=O)[C@H](C#N)[C@H]1c1ccccc1 4751688 AXFSGAGJHJHOBM-GHMZBOCLSA-N 242.278 1.593 30 50 BDEA NN1C(=O)CS/C1=N/c1ccccc1 71774395 IIBRMIIEVISXSO-PKNBQFBNSA-N 207.258 1.123 30 50 BDEA CO[C@H](C)C/N=C(\N)NC1CCCCCC1 189390725 HYCDTCUILPRQBK-SNVBAGLBSA-N 227.352 1.648 30 50 BDEA C/N=C(/NC)N1CCSC(C)(C)C1 195546075 OABBTSKPBYXVGP-UHFFFAOYSA-N 201.339 1.019 30 50 BDEA C=CCC[C@H](C)N[C@H]1CCN(C(C)C)C1=O 134931423 MEZKZUNJDONCNA-RYUDHWBXSA-N 224.348 1.940 30 50 BDEA C=C1CCC(C(=O)N2CC(n3cncn3)C2)CC1 896116604 MBTJCUXPTLSHSJ-UHFFFAOYSA-N 246.314 1.408 30 50 BDEA Cn1cc(C#N)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)n1 333904552 ULDVSDWJVJJXTR-YWVKMMECSA-N 244.298 1.666 30 50 BDEA CC#CCNC(=O)c1cc(C2CC2)no1 281690685 FXSAQVLXTPCQMX-UHFFFAOYSA-N 204.229 1.305 30 50 BDEA Cc1noc(=O)n1CCOc1ccc(C#N)cc1 1857533437 AJGYPGCDXXCFOU-UHFFFAOYSA-N 245.238 1.095 30 50 BDEA C=CCn1c(N)c(C=O)sc1=S 5613162 DECDFJBZFWPQMV-UHFFFAOYSA-N 200.288 1.860 30 50 BDEA Cc1ccc(/C=N/n2c(C)nnc2S)o1 5730626 RUHHGXAQRMGPDN-BJMVGYQFSA-N 222.273 1.659 30 50 BDEA O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CO1 1875372334 DBBCIMMNKPFMLA-NEPJUHHUSA-N 217.268 1.579 30 50 BDEA N#Cc1ccc(O[C@@H]2CCCNC2)cc1F 85223910 BRTDLDNCKGWBSU-LLVKDONJSA-N 220.247 1.828 30 50 BDEA Cc1nc(N[C@@H]2CCCC[C@@H]2O)ccc1C#N 291667667 PPXYDVHGNPJHOI-NEPJUHHUSA-N 231.299 1.977 30 50 BDEA O/N=C1\[C@@H]2[C@@H]3/C(=N\O)[C@@H]4[C@@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]41 257345153 SVFZGSIUSSQSRE-KMHQYNSZSA-N 204.229 1.035 30 50 BDEA C[C@@H]1NC(=NCc2ccccc2)N[C@H]1C 1775994229 YXIIYTZMDJHVML-UWVGGRQHSA-N 203.289 1.512 30 50 BDEA CC#CC(=O)N[C@@H]([C@@H]1CCCOC1)C(F)(F)F 1875367509 JBTUGHGZADVCCK-SCZZXKLOSA-N 249.232 1.483 30 50 BDEA CCC1(O)CN(c2ccc(C#N)c(C)n2)C1 292065004 WUKCXODRFOUDAP-UHFFFAOYSA-N 217.272 1.223 30 50 BDEA C=CCOC(=O)[C@H]1[C@@H](C)C[C@@]2(C)C[C@H]1C(=O)O2 253575667 UWVYEALGVAJYLZ-WJZNIJOASA-N 238.283 1.693 30 50 BDEA Fc1cc(Cl)c(OC[C@@H]2CO2)cn1 1857779717 CFLODLAVXQGMLE-YFKPBYRVSA-N 203.600 1.652 30 50 BDEA CN(C)/C=C/c1c(C#N)cnc2ccnn12 1848443136 WQUTUIKFBRXXIY-GQCTYLIASA-N 213.244 1.133 30 50 BDEA CC1(C)OB(c2ccc(C#N)cc2)OC1(C)C 169743290 HOPDTPGXBZCBNP-UHFFFAOYSA-N 229.088 1.857 30 50 BDEA N#CCOc1ccc(OC[C@H]2CO2)cc1 1857779671 XIECRJVUDARDOZ-NSHDSACASA-N 205.213 1.367 30 50 BDEA C=C1CC(C)(C(=O)N(C)C[C@@H](C)C(=O)O)C1 863982623 WEEVYDFQXCNHOW-SECBINFHSA-N 225.288 1.522 30 50 BDEA C/N=C(/O)C1CN([C@@H](C)C(=O)OC(C)(C)C)C1 328591166 DBGDMOKQTVJFAI-QMMMGPOBSA-N 242.319 1.235 30 50 BDEA COc1ccc(C#N)cc1Cn1ccnc1CO 131578191 NVAURMIBZINBSN-UHFFFAOYSA-N 243.266 1.304 30 50 BDEA CC(=O)N(C)C1=C(O)C(=O)c2ccccc2C1=O 100437029 MRUZFCJWOGXTMD-UHFFFAOYSA-N 245.234 1.314 30 50 BDEA CCOC(=O)C(=O)CC(=O)c1ccc(C#N)cc1 100010051 NAFLGJUISVNDKT-UHFFFAOYSA-N 245.234 1.263 30 50 BDEA CN1CCN(/C=C/C(=O)c2ccccc2O)CC1 71774005 OWWCRHBQHAHABG-VOTSOKGWSA-N 246.310 1.336 30 50 BDEA C1C[C@]2(CO2)C23C1(CC[C@]21CO1)CC[C@]31CO1 216447321 SFUDZMIFVWDHFP-XCONPDAUSA-N 234.295 1.648 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@]2(CO2)C1 95077818 VCBLXRNFGAAMHH-CYBMUJFWSA-N 233.267 1.798 30 50 BDEA Cc1cc(C)nc(/N=C(/N)N2CCCCC2)n1 13154263 QAVUEQKULBQSLB-UHFFFAOYSA-N 233.319 1.526 30 50 BDEA CC[C@@]1(C)Cc2nc(N)c(C#N)cc2CO1 19873572 ZAFHSXSQQWYVAD-LBPRGKRZSA-N 217.272 1.777 30 50 BDEA biogenic C=CCN(C(=O)Cc1cn[nH]c1)C1CC1 1775987264 XTLXRZNUMWKMTC-UHFFFAOYSA-N 205.261 1.129 30 50 BDEA N#Cc1cnn(Cc2ccc(C#N)c(F)c2)c1 334184741 BUHMIQCMVIZXTJ-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA C[C@@H](C#N)C(=O)NC1CCC(F)(F)CC1 334212764 FTHWCNMXADXZST-ZETCQYMHSA-N 216.231 1.840 30 50 BDEA O=C(C[n+]1ccncc1)c1cccc([N+](=O)[O-])c1 1595181 ROFLKTLMVNKCAV-UHFFFAOYSA-N 244.230 1.160 30 50 BDEA C[C@H](CO[C@H]1CCOC1)Nc1ccc(C#N)nc1 133817122 IHCXAKUJIUUOJO-MFKMUULPSA-N 247.298 1.559 30 50 BDEA CC1(C)OB(CCCCO)OC1(C)C 306248370 YSMADKHRXOLMHY-UHFFFAOYSA-N 200.087 1.851 30 50 BDEA CNc1cncc(B2OC(C)(C)C(C)(C)O2)c1 201708484 XMDUDMHDRIJBOQ-UHFFFAOYSA-N 234.108 1.423 30 50 BDEA in-vitro c1ccc(-n2cc(OC[C@@H]3CO3)cn2)cc1 1875378518 FEWORNYZAGYPJZ-GFCCVEGCSA-N 216.240 1.650 30 50 BDEA N#CCCN(CCC#N)C(=O)c1ccco1 2853714 XKPWBMMZINLFLT-UHFFFAOYSA-N 217.228 1.549 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ncc1N 170006114 HUKQTSBZYGCVKG-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA C[C@]12/C(=N/O)[C@H]3[C@H]4/C(=N/O)[C@@H]1[C@H]1[C@H]4C[C@H]3[C@H]12 253416785 DCTVZVDSTNAXOE-WHKGGBGJSA-N 218.256 1.425 30 50 BDEA N#Cc1c(Br)cc(O)cc1C(=O)O 263624179 OCNOTJKZBYDNDC-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C[C@@H](NCC(C)(C)C(N)=O)c1ccc(C#N)cc1 195558808 XTCHXWGHCKAIAE-SNVBAGLBSA-N 245.326 1.720 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(F)n1 169969381 RCTCBYOELKRFJW-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA COc1ccc(OC[C@H]2CO2)cc1C#N 1857780784 PJCDBRHUAUSZTJ-JTQLQIEISA-N 205.213 1.344 30 50 BDEA COc1ccc(COCCC#CCO)cc1 34623482 CRMKRAPTTJWKQY-UHFFFAOYSA-N 220.268 1.598 30 50 BDEA CCS(=O)(=O)N[C@]1(C#N)CCC[C@@H](C)C1 130492733 ICFCZNLJNQCWKC-NXEZZACHSA-N 230.333 1.398 30 50 BDEA N#Cc1cc(N2CCC[C@@H]2CF)ccn1 292734831 IIQNDPXOWSDNJG-LLVKDONJSA-N 205.236 1.892 30 50 BDEA C[C@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 700402275 GFAVNKLTLDALGH-HTQZYQBOSA-N 242.275 1.514 30 50 BDEA N#Cc1c(O)[nH]c(=O)c(C#N)c1-c1ccccc1 15442084 RGBNBNLDRGBEKC-UHFFFAOYSA-N 237.218 1.491 30 50 BDEA CC1(C)OB(C2CCNCC2)OC1(C)C 169935368 ITJOVDVQZDQJDF-UHFFFAOYSA-N 211.114 1.832 30 50 BDEA C[C@H]1CN(C)C(=NCc2ccccc2)N1 1875278762 CVDPIEGGSHQQIH-JTQLQIEISA-N 203.289 1.466 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@H]1c1ccccc1 1875372786 MNPDUZZHIAMZLF-RYUDHWBXSA-N 217.268 1.749 30 50 BDEA CC#CC(=O)NCCc1nc(C(C)C)cs1 1875387266 YMHSXSBRCWUBBY-UHFFFAOYSA-N 236.340 1.949 30 50 BDEA N#CCCCN1C(=O)C(=O)c2ccccc21 2475799 ZSWSKOZRMPMDAH-UHFFFAOYSA-N 214.224 1.520 30 50 BDEA C=CCNS(=O)(=O)c1ccc(OC)cc1 2962971 HJVOPKJMILBWRI-UHFFFAOYSA-N 227.285 1.160 30 50 BDEA in-vitro C=C/C(O)=N/CCCOC1CCOCC1 328594617 ZHQONOAKRTUOGO-UHFFFAOYSA-N 213.277 1.715 30 50 BDEA N#Cc1cn[nH]c1NCc1ccc2c(c1)OCO2 1304662 QWZFMWVHODUYLO-UHFFFAOYSA-N 242.238 1.622 30 50 BDEA COc1ccc2c(c1)CC[C@H](C#N)C2=O 71773965 WRHKGRFEYPLASV-SECBINFHSA-N 201.225 1.964 30 50 BDEA N#Cc1nc(N)c(C#N)c(N)c1-c1ccccc1 253470749 CIKZTJKESZFVIL-UHFFFAOYSA-N 235.250 1.656 30 50 BDEA CC(C)(C)OC(=O)N1CCS[C@H](C#N)C1 66054938 MTGBWJCVLSVUQM-MRVPVSSYSA-N 228.317 1.862 30 50 BDEA in-vitro C#CCCCOc1onc(C)c1C(=O)OCC 952848088 BMYHDOYYVPDULO-UHFFFAOYSA-N 237.255 1.952 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N)c1 169743557 PEXRISJTWBBZRY-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro CC1(C)CN(c2cncc(C#N)n2)[C@@H]1C1CC1 333849838 NDMAXFFWSWODBQ-GFCCVEGCSA-N 228.299 1.973 30 50 BDEA C#CC(C)(C)N(C)S(=O)(=O)c1cccnc1 192848535 AOADKPBAGPYBMX-UHFFFAOYSA-N 238.312 1.114 30 50 BDEA OCC#CCSc1nnc(-c2ccncc2)o1 2364029 BGEVLAPBZYNOOR-UHFFFAOYSA-N 247.279 1.219 30 50 BDEA CC(C)[C@H](CNc1cnccc1C#N)C(=O)O 135582457 GLNHMXVNJFNTFL-JTQLQIEISA-N 233.271 1.722 30 50 BDEA C#CCC(CC=C)(C(=O)OCC)C(=O)OCC 34592010 WTLVSRZNPGZLSM-UHFFFAOYSA-N 238.283 1.698 30 50 BDEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12 252427856 INYGWUFTISSLHX-TZFXITLGSA-N 208.257 1.361 30 50 BDEA N#Cc1cncc(OCC(F)(F)F)c1 144287519 CWWCKHDZNHSFOB-UHFFFAOYSA-N 202.135 1.894 30 50 BDEA COC(=O)[C@@H](C#N)c1ccc([N+](=O)[O-])cc1F 675050341 AZSJUMIYXYSMEK-QMMMGPOBSA-N 238.174 1.514 30 50 BDEA C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H](C2CC2)O1 408515353 YLQGTSAZDQRXTQ-BXKDBHETSA-N 244.298 1.352 30 50 BDEA C#CCN(C)C[C@H](O)c1ccccc1F 192232967 ARDYHHZBORWSPO-LBPRGKRZSA-N 207.248 1.424 30 50 BDEA CC1(C)CC(C(=O)Nc2ccnc(C#N)n2)C1 1615587488 DWPQJSXVMVEFGR-UHFFFAOYSA-N 230.271 1.723 30 50 BDEA Nc1nc(C#CCC2CCCC2)c2ncnc-2[nH]1 1506414026 BJTWQNMWOTZFLK-UHFFFAOYSA-N 241.298 1.819 30 50 BDEA CN1CCN(/N=C/c2cccc(F)c2)CC1 1451743 CAXNODOCZSAVSR-GXDHUFHOSA-N 221.279 1.407 30 50 BDEA C#CCOc1ccc([N+](=O)[O-])cc1C=O 2841985 NHFGMOMVTXNTCB-UHFFFAOYSA-N 205.169 1.419 30 50 BDEA in-vitro N/N=C(C(=N\N)\c1ccccc1)/c1ccccc1 100396763 ZWPOAAKGAFHAEX-SIJTWYJSSA-N 238.294 1.712 30 50 BDEA in-vitro C#CC[C@H](CO)N=c1[nH]c2ccccc2o1 408518509 LEJZLAOTPYHYOR-SECBINFHSA-N 216.240 1.046 30 50 BDEA C/C(=C\B1OC(C)(C)C(C)(C)O1)C(=O)O 306388889 VGCPUIWCLXVSHQ-VOTSOKGWSA-N 212.054 1.649 30 50 BDEA COc1ccccc1N/N=C(/C#N)C(N)=S 102898014 BIHAZXBINRVILX-ZSOIEALJSA-N 234.284 1.273 30 50 BDEA N#CCNC(=O)c1coc2cc(F)ccc12 336071176 GJIBZYFPTJHQED-UHFFFAOYSA-N 218.187 1.825 30 50 BDEA C=C(C)C[C@@H](NC(=O)c1cc(C)on1)C(=O)O 630316466 COZUANRLDIPONF-SECBINFHSA-N 238.243 1.132 30 50 BDEA C=C(CC)c1nc(-c2ccn(C)n2)no1 1775998828 KWSFLHYFOJNCMR-UHFFFAOYSA-N 204.233 1.893 30 50 BDEA C[C@H](O)C1CN(c2ccc([N+](=O)[O-])cc2C#N)C1 585092665 ISDQXWLMZATYDD-QMMMGPOBSA-N 247.254 1.283 30 50 BDEA CC(C)(Oc1ccc(C#N)cc1)C(=O)O 132370 GBGYSMXMZDBILF-UHFFFAOYSA-N 205.213 1.800 30 50 BDEA in-vitro C=CCNC(=O)COc1cccc(C)c1 2949170 OYEXCQVBSUKBBF-UHFFFAOYSA-N 205.257 1.676 30 50 BDEA O=C(N[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CO1 1875372383 FACLNQYENHJKBS-YRGRVCCFSA-N 229.279 1.158 30 50 BDEA COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CO1)C2 1875372720 LIXZEFIIVXFCGQ-ZDUSSCGKSA-N 247.294 1.369 30 50 BDEA COCCNCC#CCOc1ccc(OC)cc1 2838799 RJTAILIIHYBAPJ-UHFFFAOYSA-N 249.310 1.313 30 50 BDEA C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 43867379 DPHIBCOGEUVKGB-MRVPVSSYSA-N 227.260 1.378 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)n1C 169747212 ZPNAEIOTYVVDOJ-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA C[C@H]1C(=O)C=CC2=CC(=O)C(O)=C[C@]21C 143206002 VLCRZPUGQUYCEU-MADCSZMMSA-N 204.225 1.719 30 50 BDEA CC#CC(=O)N[C@@H](C)CC1CCOCC1 1875363201 CCVUWGUNZACOIF-JTQLQIEISA-N 209.289 1.331 30 50 BDEA O=C([C@@H]1CO1)N1CCC=C(c2ccccc2)C1 1875372546 HYSPMENUOWBUAM-ZDUSSCGKSA-N 229.279 1.701 30 50 BDEA C=C(C)CC[C@H](C)NCCN(C)S(C)(=O)=O 65373740 LICPUUFSAJUNIX-NSHDSACASA-N 248.392 1.212 30 50 BDEA CC1(C#N)CN(C(=O)c2cccc(C(=N)O)c2)C1 335373097 GWENIMKZIILZHV-UHFFFAOYSA-N 243.266 1.556 30 50 BDEA COc1cc(SC)ccc1C(=O)NCC#N 2959480 BIRONHMCVIEVIC-UHFFFAOYSA-N 236.296 1.670 30 50 BDEA C=CCN[C@H](C)[C@@H]1COc2ccccc2O1 2968292 JTFITJUNSSBSEH-MFKMUULPSA-N 219.284 1.991 30 50 BDEA CCOC(=O)CC(=O)Nc1ccccc1C#N 9784119 QOCKFRKJZODECM-UHFFFAOYSA-N 232.239 1.450 30 50 BDEA CC#CCN(Cc1ccco1)C(=O)c1cnc[nH]1 20774554 XOHUOUQJYTVPLZ-UHFFFAOYSA-N 243.266 1.668 30 50 BDEA CC(C)[C@@H](CNc1cnccc1C#N)C(=O)O 135582436 GLNHMXVNJFNTFL-SNVBAGLBSA-N 233.271 1.722 30 50 BDEA O/C(=N/Cc1ccncn1)[C@H]1CCCN1C1CC1 329188336 QJCRDKVUBROWGX-GFCCVEGCSA-N 246.314 1.560 30 50 BDEA N#C[C@@]1(N)CCCN(Cc2ccccc2)C1 36904574 DEMKLTJJHWNWMQ-ZDUSSCGKSA-N 215.300 1.503 30 50 BDEA CCS(=O)(=O)N[C@]1(C#N)CCC[C@H](C)C1 130492311 ICFCZNLJNQCWKC-VHSXEESVSA-N 230.333 1.398 30 50 BDEA CCC[C@H]1CN(c2ncccc2C#N)C[C@@H]1N 91644643 KOWWZDNWZPWGJZ-RYUDHWBXSA-N 230.315 1.517 30 50 BDEA C=CC[C@]1(CO)CCCN(CCOCC)C1 91877055 JFAXYMZHQOSSBR-ZDUSSCGKSA-N 227.348 1.674 30 50 BDEA CC(C)(C)OC(=O)N1CC(C(=O)CC#N)C1 71624338 MWQMPWWBTIXHQH-UHFFFAOYSA-N 224.260 1.336 30 50 BDEA in-vitro CC1(C)OB(c2ccccc2)OC1(C)C 169743615 KKLCYBZPQDOFQK-UHFFFAOYSA-N 204.078 1.986 30 50 BDEA in-vitro CC1(C)OB(c2ccc(C#N)s2)OC1(C)C 169909661 LKRPJAKTFWEYGA-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA in-vitro CCOc1cc(/C=N/n2cnnc2)ccc1O 229101 HSFWYOMSBYLXGW-MKMNVTDBSA-N 232.243 1.265 30 50 BDEA CC(C)(C)C(=O)/C=C(/N)c1ccncc1 268249 KBQGQZIKQNKQRB-CSKARUKUSA-N 204.273 1.996 30 50 BDEA N#CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 162681123 SRKUXNZMNFXIBC-MNOVXSKESA-N 206.289 1.843 30 50 BDEA C/N=C(/O)C1CN([C@H](C)C(=O)OC(C)(C)C)C1 328591165 DBGDMOKQTVJFAI-MRVPVSSYSA-N 242.319 1.235 30 50 BDEA CC(=O)C/C(C)=N/Nc1nc(C)cc(C)n1 6793367 LAFXAZJKRXASHA-NTEUORMPSA-N 220.276 1.860 30 50 BDEA C/C(CS(=O)(=O)c1ccccc1)=N\O 100059669 FGMYBKVSGPOVTM-CSKARUKUSA-N 213.258 1.310 30 50 BDEA Cn1nnc2c1C[C@@H](/C(O)=N/C1CCC1)CC2 329544521 YVLKRRALBUOQAN-QMMMGPOBSA-N 234.303 1.429 30 50 BDEA Cc1ccnc(N2C[C@@H](F)C[C@H]2CO)c1C#N 364657204 LTNFJWOZRUPVPX-UWVGGRQHSA-N 235.262 1.171 30 50 BDEA CC#CC(=O)NCc1ccc(C)nc1OC 1875363120 PVCMXVCVDDIEKS-UHFFFAOYSA-N 218.256 1.038 30 50 BDEA NC(=O)[C@@H]1O[C@@H]1c1ccc(CC2CCC2)cc1 1776005984 KVAWKTMGRIZDEU-CHWSQXEVSA-N 231.295 1.954 30 50 BDEA C[C@H](NCC#N)c1nc(Cc2ccccc2)no1 170594755 FRNWTDYJROFEBA-JTQLQIEISA-N 242.282 1.835 30 50 BDEA N#Cc1ccc(CN2CCC(N)CC2)cc1 20457743 NPRFHMPSSNCLDY-UHFFFAOYSA-N 215.300 1.481 30 50 BDEA in-vitro CC[C@]12C[C@@H]1CN(C(=O)c1ccc(C#N)nc1)C2 1772804935 GZVRWSSLNKRXMC-BXUZGUMPSA-N 241.294 1.825 30 50 BDEA CC#CC(=O)N[C@@H](C)C(=O)OCc1ccccc1 848255382 SWLIDGSPNHVRAE-NSHDSACASA-N 245.278 1.258 30 50 BDEA CCc1n[nH]cc1B1OC(C)(C)C(C)(C)O1 1857780363 WLZWUSJSNIFOGJ-UHFFFAOYSA-N 222.097 1.271 30 50 BDEA Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1 1727211 NOQXXYIGRPAZJC-SECBINFHSA-N 228.269 1.099 30 50 BDEA in-vitro O=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)F 4290177 NRSBEUZIEWSRKT-PVQJCKRUSA-N 230.085 1.167 30 50 BDEA in-vitro c1ccc(CO[C@H]2[C@@H]3O[C@@H]3[C@H]3OC[C@H]2O3)cc1 252445540 YVZYNXNBLFZJNU-BNDIWNMDSA-N 234.251 1.094 30 50 BDEA CCn1cc(CN(C)C[C@@H]2CCOC2)cc1C#N 826773353 XUPLMKAVONBJQV-LBPRGKRZSA-N 247.342 1.848 30 50 BDEA C#CCOCCOC(=O)N1CC[C@@H](CC)C1 1615612779 AKEDXLNRQFUSTR-LLVKDONJSA-N 225.288 1.505 30 50 BDEA COc1ccc2c(c1)CC[C@H](C=O)C2=O 1654192 NTVKOYKLIKUWHM-SECBINFHSA-N 204.225 1.639 30 50 BDEA in-vitro C=CCN(CC(=O)O)C(=O)c1ccccc1CC 161756042 TWQDJRSEIZWRIL-UHFFFAOYSA-N 247.294 1.962 30 50 BDEA C=CC(=O)Nc1cc(OC)c(C#N)cc1F 1776003485 SFGCZFOUSYWEJT-UHFFFAOYSA-N 220.203 1.830 30 50 BDEA C[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccn2)CO1 408403306 AMVFCMAERZUPHQ-WPRPVWTQSA-N 231.255 1.317 30 50 BDEA COCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 307626858 KUBSJYGHWOHSEU-UHFFFAOYSA-N 249.119 1.527 30 50 BDEA O=C(O)C1=CN=C2C3=NC=CC[C@H]3C=C[C@@H]2C1=O 100014584 TVBAVFFTADCWKG-YUMQZZPRSA-N 242.234 1.139 30 50 BDEA in-vitro CC1(C)OB([C@H]2CCNC(=O)C2)OC1(C)C 170008808 WBSJJIXTNFHHGJ-QMMMGPOBSA-N 225.097 1.359 30 50 BDEA COc1cc(C#N)c([N+](=O)[O-])cc1OC 1431720 NQSQQGDTYKGCOT-UHFFFAOYSA-N 208.173 1.484 30 50 BDEA biogenic,in-vitro CC1(C)OB([C@H]2CCOC(=O)C2)OC1(C)C 231128163 PHRZZLLLMBDNOT-QMMMGPOBSA-N 226.081 1.786 30 50 BDEA C=C1CN(C(=O)NC[C@H]2CCO[C@@H](C)C2)C1 1478309842 NDQLYNQFAFGNKP-QWRGUYRKSA-N 224.304 1.383 30 50 BDEA Cn1cc(OCCOc2ccc(C#N)cc2)cn1 170686174 YTLVGRIIRHJJDT-UHFFFAOYSA-N 243.266 1.750 30 50 BDEA C[C@H](O)C#C[C@]1(O)[C@@H](C)CCCC1(C)C 17164510 MJQWBMRBYSWPQD-GVXVVHGQSA-N 210.317 1.948 30 50 BDEA N#Cc1cnn2c(C(F)(F)F)ccnc12 2532693 GKIDVDCXJWMRRN-UHFFFAOYSA-N 212.134 1.620 30 50 BDEA in-vitro Cn1nc(CO)cc1-c1ccc(C#N)cc1 1857781111 RYCLKAXMMJWZEU-UHFFFAOYSA-N 213.240 1.451 30 50 BDEA N#Cc1ccccc1NC(=O)[C@@H]1CCCO1 617876 IWLXGMIZDLRQFK-NSHDSACASA-N 216.240 1.676 30 50 BDEA N#Cc1cnn(-c2ccccn2)c1Br 71257392 BPRHXCKCJNPVAT-UHFFFAOYSA-N 249.071 1.901 30 50 BDEA C[C@H](N)Cn1ccnc1-c1ccc(C#N)cc1 1940197471 SMOJHQLPVKBCPL-JTQLQIEISA-N 226.283 1.769 30 50 BDEA Cc1cc(CN(C)C[C@H]2C[C@@H]2C#N)no1 888096451 VPBQZCOGPVPRNP-NXEZZACHSA-N 205.261 1.575 30 50 BDEA CC1(C)OB(c2c(F)cccc2C#N)OC1(C)C 169747255 HIMZNJDDVIROEC-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA CC1(C)OB(c2cc(N)cc(C#N)c2)OC1(C)C 203718853 NDKHXHLIKQVEPM-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA Cc1nc[nH]c1C/N=C(/O)[C@@H]1CCCO1 328926387 FFTAYJWPJWZFPG-VIFPVBQESA-N 209.249 1.354 30 50 BDEA O[C@H](C#CCN1CCCC1)c1ccccc1 52044 UVFFBARLBVKJGA-CQSZACIVSA-N 215.296 1.819 30 50 BDEA C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 43867372 DPHIBCOGEUVKGB-QMMMGPOBSA-N 227.260 1.378 30 50 BDEA in-vitro C[C@@H]1[C@H]2C[C@@H](CC2=NNC(N)=S)C1(C)C 252320616 FFVDDDDYYODYEL-GJMOJQLCSA-N 225.361 1.878 30 50 BDEA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)[C@H]3O[C@H]3C(=O)[C@@H]21 257356318 HIVYPZWBGZBBND-CJHXPDOISA-N 230.263 1.290 30 50 BDEA Cc1nnc(CN2CCC[C@](C)(C#N)C2)s1 612158220 IMKKRYCPYURIOB-LLVKDONJSA-N 236.344 1.972 30 50 BDEA COC(=O)C[C@H](C#N)c1ccc(O)cc1 98213351 SBRXCXMQSXUVHX-SECBINFHSA-N 205.213 1.562 30 50 BDEA in-vitro CC1(C)OB(c2ccc(O)nc2)OC1(C)C 169743755 WAUWXCUPDOXYKS-UHFFFAOYSA-N 221.065 1.086 30 50 BDEA in-vitro N#CCC(=O)Nc1ccccc1C(=O)O 396331 LNMDMNGHWPNZBO-UHFFFAOYSA-N 204.185 1.237 30 50 BDEA in-vitro N#Cc1cc(I)ccc1N 15443819 PRIOKVMBFXTMRV-UHFFFAOYSA-N 244.035 1.745 30 50 BDEA in-vitro C[C@@H]1[C@H](CO)CCCN1c1ncccc1C#N 591200661 AIUVFEHJSARTQQ-PWSUYJOCSA-N 231.299 1.550 30 50 BDEA N#CCN1CCN(Cc2ccccc2)CC1 19230092 ATUPEPBRQNHPDY-UHFFFAOYSA-N 215.300 1.328 30 50 BDEA N/C(CC(=O)Nc1cccc(Cl)c1)=N\O 16286509 XTNWYWSCVDIMGW-UHFFFAOYSA-N 227.651 1.415 30 50 BDEA C=CCNS(=O)(=O)c1ccc(Cl)cc1 3321764 JQAXQIZINTXLFH-UHFFFAOYSA-N 231.704 1.804 30 50 BDEA C=CCOc1c(OC)cc(CCN)cc1OC 37627677 JNUAYHHGCXYBHX-UHFFFAOYSA-N 237.299 1.770 30 50 BDEA in-vitro C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ncc[nH]1 820449204 JMVGMVMFIKCDJH-SNVBAGLBSA-N 249.314 1.411 30 50 BDEA CCC#CCN1CCC[C@H](CN2CCCC2=O)C1 670440172 WMUCNBIEHWVETJ-AWEZNQCLSA-N 248.370 1.734 30 50 BDEA CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C 169745779 UOXAMYZTYZLSCC-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro N#Cc1cncc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)n1 333885025 VOXRZJBZHOTZGD-UKJIMTQDSA-N 240.310 1.831 30 50 BDEA C=C(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2526790 YHWOMLAFEJVSSA-MRVPVSSYSA-N 229.276 1.931 30 50 BDEA O=C(O/N=C\c1ccccc1)N1CCOCC1 4775569 AFSITURRHJYXIQ-RAXLEYEMSA-N 234.255 1.489 30 50 BDEA COc1c(N)cccc1B1OC(C)(C)C(C)(C)O1 170007949 GTJCHAXQNVESRW-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)O 2506598 FVBZCQLQINXRAC-LLVKDONJSA-N 249.266 1.595 30 50 BDEA biogenic,in-vitro CC(C)N(c1ccccc1C#N)S(C)(=O)=O 216703003 MEFBFYPZJLDXPK-UHFFFAOYSA-N 238.312 1.733 30 50 BDEA N#Cc1ccc(N2CCC[C@H]2CF)nc1 292770863 LBDDOJKDAPDJAU-JTQLQIEISA-N 205.236 1.892 30 50 BDEA COC(=O)[C@H]1CCCN1Cc1ccc(C#N)cn1 567824601 BWSKEZRZWHZTPL-GFCCVEGCSA-N 245.282 1.091 30 50 BDEA CN1CCN(/N=C/c2ccc(Cl)cc2)CC1 435102 YTOZUYUQAYEEQX-GXDHUFHOSA-N 237.734 1.921 30 50 BDEA CN(C(=O)c1cncnc1)c1ccc(C#N)cc1 230878678 HOXNWYNJTLTDOX-UHFFFAOYSA-N 238.250 1.625 30 50 BDEA CC1(C)COB(c2ccc3c(c2)COCO3)OC1 169794707 YJUBQYAKLDTEGM-UHFFFAOYSA-N 248.087 1.321 30 50 BDEA CC(=O)NC=C1C(=O)c2ccccc2C1=O 296558 MEBAUDSUORHAGQ-UHFFFAOYSA-N 215.208 1.086 30 50 BDEA COc1cc(B2OC(C)(C)C(C)(C)O2)sn1 306364109 AVPZKUPTMKUMIL-UHFFFAOYSA-N 241.121 1.451 30 50 BDEA CCNc1nc(Cl)nc(NC(C)(C)C#N)n1 2016088 MZZBPDKVEFVLFF-UHFFFAOYSA-N 240.698 1.671 30 50 BDEA biogenic,in-vitro CC1(C#N)CN(C(=O)c2ccncc2F)C1 336455619 XJXODRMMWUOQMJ-UHFFFAOYSA-N 219.219 1.206 30 50 BDEA N#CCCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281603517 GLFQWUGGPRBNLY-STQMWFEESA-N 234.274 1.847 30 50 BDEA CCCCOc1ccc(C(=O)NO)cc1OC 12504644 UTOLMUUYIQFHDG-UHFFFAOYSA-N 239.271 1.993 30 50 BDEA C[C@H]1S/C(=N/N=C/c2cccs2)NC1=O 13154457 JLEITFULSIRKPA-XREMMQICSA-N 239.325 1.690 30 50 BDEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C#CC 283736218 GETGREYDYCPUSF-PWSUYJOCSA-N 207.273 1.107 30 50 BDEA CN1CC[C@@H]2CCN(c3cc(C#N)ccn3)[C@H]2C1 284892017 HCNXPJZQDPHACW-OLZOCXBDSA-N 242.326 1.484 30 50 BDEA CC1=CCCN(c2nccc(C#N)n2)C1 230812318 AUFJDLBSHIIDHC-UHFFFAOYSA-N 200.245 1.505 30 50 BDEA CCOC(=O)/C(=C\C=C\N(C)C)C(C)=O 16134012 YIJHRQWIUWJINF-ZPNWEIAESA-N 211.261 1.140 30 50 BDEA N#CCCn1cccc(C(F)(F)F)c1=O 2557589 CQBBWSPMEJVWQE-UHFFFAOYSA-N 216.162 1.781 30 50 BDEA in-vitro N#C[C@H](C(=O)CN1CCOCC1)c1ccccc1 20638465 OEZMCPTWWXPCKG-ZDUSSCGKSA-N 244.294 1.195 30 50 BDEA N#Cc1ccc(NCC(F)(F)F)cn1 122443269 FLKRLYLSLBOHAR-UHFFFAOYSA-N 201.151 1.927 30 50 BDEA C[C@]12/C(=N/O)[C@H]3[C@H]4/C(=N/O)[C@@H]1[C@@H]1[C@H]4C[C@H]3[C@H]12 253416783 DCTVZVDSTNAXOE-JZALVMJRSA-N 218.256 1.425 30 50 BDEA Cc1ccoc1/C(O)=N/Cc1nnc(C)n1C 330627250 JVUKMEJWKFANCT-UHFFFAOYSA-N 234.259 1.530 30 50 BDEA C[C@@H]1CN(c2cccc(C#N)n2)C[C@@]1(O)C1CC1 91475138 AHTSQRASCHBGHP-YGRLFVJLSA-N 243.310 1.550 30 50 BDEA CCc1nc(C#N)cc(N2CCC[C@@H]2[C@H](C)O)n1 585098972 XXNPRKLBSWVUKD-GXSJLCMTSA-N 246.314 1.260 30 50 BDEA C[C@H](Cc1cccc(F)c1)C(=O)NCC#N 195453358 RHEMEBJCEANDQM-SECBINFHSA-N 220.247 1.644 30 50 BDEA N#Cc1ccc(N2CCC[C@H](C(=O)O)C2)cc1 12954437 SFCZUCPTDYRUIK-NSHDSACASA-N 230.267 1.859 30 50 BDEA COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1 11902819 YJDWXUFFZLKITF-UHFFFAOYSA-N 226.235 1.922 30 50 BDEA in-vitro CC[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 230248218 XRQPDWIOMNQWNZ-MXWKQRLJSA-N 224.304 1.420 30 50 BDEA CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 335688338 JPMSBMLZCCWUNI-NEPJUHHUSA-N 222.288 1.460 30 50 BDEA NC(N)=Nc1nc2ccc(F)cc2s1 85389196 YORXEYNUGHNFJW-UHFFFAOYSA-N 210.237 1.340 30 50 BDEA in-vitro CC1(C)OB(c2cnc3cc[nH]c3c2)OC1(C)C 169794167 LVVACKKTPDWXJM-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro CC1(C)Oc2cccc(OC[C@@H]3CO3)c2O1 196156886 LXKXJNHAEKBQTD-QMMMGPOBSA-N 222.240 1.972 30 50 BDEA Cc1ccoc1B1OC(C)(C)C(C)(C)O1 238479983 HJVYTPKYYKQXNT-UHFFFAOYSA-N 208.066 1.887 30 50 BDEA in-vitro C#CC(=O)NCCN(C)c1cccc(C)c1 1875374269 HWIPNGDXMIMMKR-UHFFFAOYSA-N 216.284 1.181 30 50 BDEA C=CCN(C(=O)COc1ccon1)C1CC1 1775999606 PWHLJBJGYWUHGF-UHFFFAOYSA-N 222.244 1.230 30 50 BDEA Cc1cnccc1CC(=O)N[C@@H](C#N)C(C)(C)C 292153419 VMZLZEYVGSZCTL-LBPRGKRZSA-N 245.326 1.987 30 50 BDEA C=CCN1C(=O)[C@H](CC(C)C)NC1=S 308379 RATGSRSDPNECNO-QMMMGPOBSA-N 212.318 1.304 30 50 BDEA in-man Cc1ccc(S(=O)(=O)N(C)CCC#N)cc1 1555639 GSZGTQQXLVDTLH-UHFFFAOYSA-N 238.312 1.529 30 50 BDEA C=CCNS(=O)(=O)Cc1ccc(Cl)cc1 9694905 YDHASLZJGHJMFH-UHFFFAOYSA-N 245.731 1.945 30 50 BDEA C=CCC[C@H](O)CN1C[C@H](C)O[C@H](C2CC2)C1 328588832 RFQHJDSIHSMIEA-UBHSHLNASA-N 239.359 1.813 30 50 BDEA N#Cc1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1 334351013 FWSLMRFTOBJTDS-STQMWFEESA-N 234.274 1.463 30 50 BDEA N#Cc1cc(Br)cn2ncnc12 952880214 URVKVSDQJOMLBS-UHFFFAOYSA-N 223.033 1.363 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C=O)C1 216161853 ZLATZYJENAGYJD-SKDRFNHKSA-N 225.288 1.832 30 50 BDEA CC1(C)OB(c2cnc(O)c(F)c2)OC1(C)C 169748293 PYHFMUZWRDHWKE-UHFFFAOYSA-N 239.055 1.226 30 50 BDEA in-vitro N/N=C1/C(=O)Nc2cccc(Br)c21 17679405 ALFVLVKPMCQYJA-UHFFFAOYSA-N 240.060 1.064 30 50 BDEA NC(=O)[C@]12O[C@]1(Cl)CCCC2(Cl)Cl 1763388 RJDOGZFPFXYFDM-RNFRBKRXSA-N 244.505 1.534 30 50 BDEA CC#CCNc1ccc(C(C)(C)C(N)=O)cc1 225549987 AVPVUTOSKKOMHD-UHFFFAOYSA-N 230.311 1.885 30 50 BDEA O=[S@@]1OC[C@@H](COc2ccc(Cl)cc2)O1 71776854 MYZBYHKKLQVZRQ-PSLIRLAXSA-N 248.687 1.713 30 50 BDEA COc1cccc(C#N)c1OC[C@@H]1CO1 602993619 QPQFUKCQEZJXOZ-VIFPVBQESA-N 205.213 1.344 30 50 BDEA O=C[C@@H]1Cc2cc(Cl)ccc2C(=O)O1 642883832 PHJJKBRBBRNIPR-QMMMGPOBSA-N 210.616 1.620 30 50 BDEA N#Cc1ccnc(NCC2(CCO)CCC2)c1 588001969 QTYVTAJDDMUPOT-UHFFFAOYSA-N 231.299 1.918 30 50 BDEA N#Cc1cccnc1N[C@@H]1CC=CC[C@H]1C(N)=O 1506406017 FASGIAXAFXIRSK-GHMZBOCLSA-N 242.282 1.185 30 50 BDEA [N-]=[N+]=Nc1ccc(C(=O)NCCCCN)c(O)c1 15020115 RQUGVTLRYOAFLV-UHFFFAOYSA-N 249.274 1.803 30 50 BDEA in-vitro CCOCc1cc(CC)[nH]c(=O)c1C#N 8672882 NBNZJGSYYCBLQP-UHFFFAOYSA-N 206.245 1.345 30 50 BDEA C=CCN(Cc1ccc(C)s1)C[C@H](O)CO 55211397 CFCCPOKVIKECJD-NSHDSACASA-N 241.356 1.398 30 50 BDEA COc1ccc(C[C@]2(C)O[C@@H]2C#N)cc1 307132435 HTUGQEJTTBSRQH-NEPJUHHUSA-N 203.241 1.919 30 50 BDEA Cc1nn(C)c(C#N)c1C(=O)c1ccccc1 44125121 AMAQWJZPGAUUCN-UHFFFAOYSA-N 225.251 1.831 30 50 BDEA CC1(C)OB(c2cc(O)cc(F)c2)OC1(C)C 206123193 KBGOBMOAZQOCTA-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA CCOC(=O)CNc1ccc([N+](=O)[O-])cc1C#N 37564192 WKOJEFDHGOMHKS-UHFFFAOYSA-N 249.226 1.441 30 50 BDEA Cc1occc1B1OC(C)(C)C(C)(C)O1 169743719 JMLBPHNESOKSEV-UHFFFAOYSA-N 208.066 1.887 30 50 BDEA in-vitro CCOC(=O)C(=O)c1ccc(C#N)cc1 2245427 MGBZXMQPYAYPIQ-UHFFFAOYSA-N 203.197 1.304 30 50 BDEA in-vitro O=C(NCc1csc2ccccc12)[C@H]1CO1 1875372263 BGJNZYTXYKIWCC-SNVBAGLBSA-N 233.292 1.916 30 50 BDEA Cc1nnc(CN(CCC#N)CC2CC2)n1C 176252323 UJSPZJYONZMWDF-UHFFFAOYSA-N 233.319 1.249 30 50 BDEA C#CCN(CC1CC1)C(=O)c1cocn1 1322961893 MPVDLHQHZHIIRH-UHFFFAOYSA-N 204.229 1.160 30 50 BDEA CC(C)Oc1cccc(C(=O)NCCC#N)n1 225628840 YFTQBVKJHWAXSE-UHFFFAOYSA-N 233.271 1.512 30 50 BDEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)NC1CC1 328621958 ICFRSVHCIKINKA-MWLCHTKSSA-N 226.320 1.714 30 50 BDEA C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C(N)=O 284875757 QEULOGDESACPDT-ZWNOBZJWSA-N 243.310 1.111 30 50 BDEA CCC#CCN1CCN(C2CCCCC2)C(=O)C1 670456406 YUYCRLIOWBTDGA-UHFFFAOYSA-N 248.370 1.877 30 50 BDEA C=C(C)C[C@@H](C)C(=O)NCCNc1ncccn1 584908653 GAQFDRVBNASKDY-LLVKDONJSA-N 248.330 1.607 30 50 BDEA N#CN=C(N)c1ccc(Br)cc1 1775977174 WTHBBCANOBYNOE-UHFFFAOYSA-N 224.061 1.635 30 50 BDEA C=CCNS(=O)(=O)c1sccc1/C=N/O 2462057 AMCACGRZXWSTFB-RMKNXTFCSA-N 246.313 1.021 30 50 BDEA CC/C(=N\NS(C)(=O)=O)c1ccccc1 12384057 BOPDQWGJJSCAHW-ZHACJKMWSA-N 226.301 1.350 30 50 BDEA C=CC[C@@]1(CO)CCCN(CCCC(=O)O)C1 91574666 XJKPMNWZDAXMCH-CYBMUJFWSA-N 241.331 1.502 30 50 BDEA N#CC1(C#N)[C@@H](C(N)=O)[C@H]1c1ccccc1Cl 50377 DQUVJZLMWOELLT-NXEZZACHSA-N 245.669 1.572 30 50 BDEA CC#CC(=O)N[C@H](C[S@](C)=O)c1ccccc1 283294909 TWPGSCBGMCMBFC-PXAZEXFGSA-N 249.335 1.246 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)nc1 241837487 SKNSMTUUBFRIRI-CVNCSBKSSA-N 241.294 1.159 30 50 BDEA COC[C@@H]1C[C@H](OC)CN1c1ccnc(C#N)c1 284556408 NBDAXVKOWSYKCU-STQMWFEESA-N 247.298 1.193 30 50 BDEA Cc1c(C#N)c(N)nc2cc3c(cc12)OCO3 725244416 OIFXZBCAUFYLLY-UHFFFAOYSA-N 227.223 1.726 30 50 BDEA Brc1ccccc1B1OCCCO1 197184484 IIYCIXHQPWYPMA-UHFFFAOYSA-N 240.893 1.581 30 50 BDEA N#C[C@H](c1ccc(O)cc1)N1CCOCC1 19537492 ALBNAZLYPCNYDM-GFCCVEGCSA-N 218.256 1.289 30 50 BDEA in-vitro COc1cc(Br)cnc1C#CCO 35270357 KWDTVLGWUDQYDC-UHFFFAOYSA-N 242.072 1.197 30 50 BDEA in-vitro C#CCCN(C)Cc1nnc(Cl)s1 2325765469 LNYFHNYSJCPWHE-UHFFFAOYSA-N 215.709 1.647 30 50 BDEA C[C@H](Oc1ccccc1)C(=O)N(CC#N)CC#N 30432 CDPGCXYVMRGFGB-NSHDSACASA-N 243.266 1.330 30 50 BDEA CC(=O)c1cnc2c(C#N)cnn2c1C 167345 OVSWMPRBOLNAMS-UHFFFAOYSA-N 200.201 1.112 30 50 BDEA C=CCOc1ccc(-n2ccnc2)cc1CO 65375274 DBYWOAUVGZNRQO-UHFFFAOYSA-N 230.267 1.929 30 50 BDEA CC[C@@H](C)[C@@H](O)CNc1nccnc1C#N 264810309 OTARKVQIIWTIQB-SCZZXKLOSA-N 220.276 1.167 30 50 BDEA N#Cc1ccc(N2CCn3nccc3C2)nc1 585122460 JXMIXWIVFUTUMS-UHFFFAOYSA-N 225.255 1.170 30 50 BDEA C#CCCCS(=O)(=O)NC(=O)C1CCCC1 1875291292 ULCUHDBLTYPZSJ-UHFFFAOYSA-N 243.328 1.036 30 50 BDEA CCC#CCN1CCC[C@H](CCCO)C1 828748571 MAYKRTNQGCFLFP-CYBMUJFWSA-N 209.333 1.884 30 50 BDEA CC[C@@H](C#CCN1CCCCC1)OC(C)=O 208678 MWQCPJDLBAQOKZ-ZDUSSCGKSA-N 223.316 1.817 30 50 BDEA C=C[C@H](O)CSCCN(CC)CC 2173421 JMRCTLPPBZMTGE-JTQLQIEISA-N 203.351 1.608 30 50 BDEA C=CCNCC1OCc2ccccc2CO1 2293082 SRSHGYVZTQTQMV-UHFFFAOYSA-N 219.284 1.835 30 50 BDEA CC1=NOC(=O)/C1=C/c1ccc(O)cc1 100409192 PKODRBKVKTZMCR-UXBLZVDNSA-N 203.197 1.708 30 50 BDEA CC1(C)OB(c2ncc(C=O)s2)OC1(C)C 170005574 LUXUHDUCQRABBG-UHFFFAOYSA-N 239.105 1.255 30 50 BDEA CC[C@@H](O)Cn1ncnc1-c1ccc(C#N)cc1 91616589 RTLDJTNVDCFSGF-GFCCVEGCSA-N 242.282 1.588 30 50 BDEA N#Cc1cc(F)ccc1N1CCNCC1 82516309 KSDIKSCSQBLQQH-UHFFFAOYSA-N 205.236 1.107 30 50 BDEA in-vitro COC(=O)c1ccccc1NC(=O)CC#N 80339 YMVMWTHSYFQYGD-UHFFFAOYSA-N 218.212 1.325 30 50 BDEA COC1=CC(=O)[C@@]2(C)CC=CC[C@@H]2C1=O 1604432 BWRSBDNPEDAAMK-PELKAZGASA-N 206.241 1.641 30 50 BDEA N#Cc1cccnc1N1CCC[C@H](F)C1 166285293 XXHHBYMYKZUPAS-JTQLQIEISA-N 205.236 1.892 30 50 BDEA CN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169743467 SQMVRFXDBRYXFQ-UHFFFAOYSA-N 223.125 1.880 30 50 BDEA in-vitro N#Cc1cc([C@H](O)[C@H]2CCCNC2)ccc1F 1857779945 HCVAQRQWNLLIBV-GWCFXTLKSA-N 234.274 1.730 30 50 BDEA C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CO2)C1 1875373363 ZEXKHVDPAIUKFL-UKRRQHHQSA-N 245.322 1.966 30 50 BDEA COS(=O)(=O)[C@@H](C)c1ccccc1 3136986 LYLZSPAGFLGQTN-QMMMGPOBSA-N 200.259 1.724 30 50 BDEA CC1=NOC(=O)[C@@H]1C(C)(C)[C@H]1C(=O)ON=C1C 100495214 YFOREHVJTPMHTM-HTQZYQBOSA-N 238.243 1.110 30 50 BDEA COC[C@H]1CN(CCC#N)CC(C)(C)O1 343749033 XRIKURDRZNXVTJ-SNVBAGLBSA-N 212.293 1.026 30 50 BDEA COc1ccc2oc(=O)c(C#N)cc2c1 57992 BVVHOFPYWCEQBM-UHFFFAOYSA-N 201.181 1.673 30 50 BDEA biogenic O=C1[C@H]2CC[C@@H](C2)[C@@H]1[C@@]1(O)/C(=N/O)[C@H]2CC[C@H]1C2 257355795 CSDDVTKWNGAZNC-QWHGQZOVSA-N 249.310 1.593 30 50 BDEA CNc1c(N)cc(C#N)cc1Br 95496060 UAFGHSPLIPMHLB-UHFFFAOYSA-N 226.077 1.945 30 50 BDEA in-vitro COC(=O)/C(=C\Nc1ccccc1)[N+](=O)[O-] 13574496 XEPBMOGQWNYCNO-VQHVLOKHSA-N 222.200 1.390 30 50 BDEA CC1(C)OB(c2ccc(N)nc2F)OC1(C)C 169989320 URUHDSKWFVRYIP-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA CN(C)/C=N/C1=NN(c2ccccc2)CC1 4858009 SSSPVDPJHQLWIU-JLHYYAGUSA-N 216.288 1.800 30 50 BDEA Cc1ccncc1NC(=O)[C@]1(C#N)CCOC1 1875270286 UDNOYHYGEXMWIJ-LBPRGKRZSA-N 231.255 1.259 30 50 BDEA C[C@@H]1C[C@@H](C=O)CN1C(=O)OC(C)(C)C 238422880 JGJBPKGWOWFJFN-RKDXNWHRSA-N 213.277 1.831 30 50 BDEA N#Cc1nc(N)sc1Br 95643005 AWRSBLKVIBXYGO-UHFFFAOYSA-N 204.052 1.359 30 50 BDEA in-vitro C#CCC(CC#C)C(=O)NCCCCOC 170614580 SOAWLQLINPWEJK-UHFFFAOYSA-N 221.300 1.192 30 50 BDEA C=CCn1c(C)nnc1SC[C@H](C)O 170617567 MMLOVYGKOYSMEB-ZETCQYMHSA-N 213.306 1.245 30 50 BDEA C#CCN(C)C(=O)C[C@H]1OCCc2ccccc21 191030858 ZNBBFJSKHIAODW-CQSZACIVSA-N 243.306 1.782 30 50 BDEA CC(C)(C)OC(=O)N1CCO[C@@H](C#N)C1 38530150 GZZBGWUQUIKDNN-QMMMGPOBSA-N 212.249 1.146 30 50 BDEA in-vitro Cc1ccc(S(=O)(=O)OC[C@@H]2CCO2)cc1 16083107 UYSILSHSVRRBST-JTQLQIEISA-N 242.296 1.489 30 50 BDEA in-vitro N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1 13536586 UBVZQGOVTLIHLH-UHFFFAOYSA-N 248.249 1.800 30 50 BDEA world C=CCNC(=O)COc1ccc(F)cc1F 16605755 XOZCVLRBTQSNNA-UHFFFAOYSA-N 227.210 1.646 30 50 BDEA c1cnn(-c2ccc(OC[C@H]3CO3)cc2)c1 1875378364 BBSMMZZYXCKVMZ-LBPRGKRZSA-N 216.240 1.650 30 50 BDEA N#Cc1ccncc1N1CCC[C@H](F)C1 336597836 ZQZFRHVIAMWBLD-JTQLQIEISA-N 205.236 1.892 30 50 BDEA CCOC(=O)C(C(C)=O)=C1SCCS1 1086433 GLPYXSYNEKXUDH-UHFFFAOYSA-N 232.326 1.830 30 50 BDEA biogenic Cc1ccc(O)c(C(=O)C[n+]2ccccc2)c1 1595226 FTAGCCZJKWMZMJ-UHFFFAOYSA-O 228.271 1.871 30 50 BDEA CN1C(=O)[C@@]2(C)C[C@](C)(C#N)N2c2ccccc21 252533127 FXIHRMMKOYBUIQ-ZIAGYGMSSA-N 241.294 1.914 30 50 BDEA N#Cc1ccc(NC(=O)NC[C@@H]2CCCO2)cn1 299791696 GFQMKOPZRVNZHI-NSHDSACASA-N 246.270 1.254 30 50 BDEA C=CC1COC2(OC1)OCC(C=C)CO2 5283032 VIVUKEHZVYZUPS-UHFFFAOYSA-N 212.245 1.296 30 50 BDEA CC#CC(=O)NCC1(C(C)(F)F)CCOCC1 1875367677 DCJWFUIEAPRHKI-UHFFFAOYSA-N 245.269 1.578 30 50 BDEA CC#CC(=O)N[C@@H](C)c1cnn(CC2CCC2)c1 890671121 VNCUGGIIGSCDJQ-NSHDSACASA-N 245.326 1.884 30 50 BDEA O=C(N[C@H]1CSC/C1=N\O)c1ccccc1 100230791 JOEJVVSLZQCOBM-CVZWZAMJSA-N 236.296 1.362 30 50 BDEA N#Cc1cc(F)c(N2CCOCC2)c(F)c1 110315794 AJUCLIASGYDYQE-UHFFFAOYSA-N 224.210 1.673 30 50 BDEA C#CCC(CC=C(C)C)(C(=O)OC)C(=O)OC 43214688 FNQWESREZCCUCW-UHFFFAOYSA-N 238.283 1.698 30 50 BDEA C=CCNC(=O)Cc1ccc(OC)cc1 2977521 WRDZSQOJLXODNX-UHFFFAOYSA-N 205.257 1.540 30 50 BDEA C#C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C 167055791 LTUWAGPXWOCQFC-SECBINFHSA-N 241.287 1.434 30 50 BDEA N#CCN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 334299350 QOVWUEVPLXFXCF-JOYOIKCWSA-N 238.237 1.596 30 50 BDEA CCN(C(=O)CC#N)C(=O)NC1CCCCC1 399861 CSUWCVAEBNREIS-UHFFFAOYSA-N 237.303 1.791 30 50 BDEA N#CCc1ccc(NC(=O)Cc2ccn[nH]2)cc1 120978669 HATCKKFTBQYMGM-UHFFFAOYSA-N 240.266 1.657 30 50 BDEA C#CCNc1nc(Cl)ccc1C(=O)OCC 725343473 GBHWTSVGBVZNRE-UHFFFAOYSA-N 238.674 1.957 30 50 BDEA C=CCCCCNC(=O)N1CC[C@H](C)[C@@H]1CO 252487022 HQNCLEUKNIATCN-RYUDHWBXSA-N 240.347 1.755 30 50 BDEA COc1cc(OC[C@H]2CO2)ccc1C#N 1875378547 GAFPFLRFNWOSTH-JTQLQIEISA-N 205.213 1.344 30 50 BDEA C[C@H](Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CO1 1875372377 DWGHMXZHVVHILT-SKDRFNHKSA-N 230.267 1.004 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@](C#N)(CO)C1 307281897 HYHLNEMZYSJADY-LLVKDONJSA-N 226.276 1.129 30 50 BDEA C=CCN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19877370 HMHQPIZMQKMLPS-NSHDSACASA-N 248.257 1.233 30 50 BDEA CCC(CC)n1nc(C)cc1C(=O)NCC#N 180148913 HDXPTFBWQMCQPT-UHFFFAOYSA-N 234.303 1.806 30 50 BDEA C=CCNC(=O)[C@H](C)Oc1ccccc1OC 8480749 WWLBPQHWNAEVQV-JTQLQIEISA-N 235.283 1.765 30 50 BDEA c1cc(OC[C@@H]2CO2)cc(OC[C@@H]2CO2)c1 1707986 WPYCRFCQABTEKC-VXGBXAGGSA-N 222.240 1.242 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC[C@H](C=O)C1 2577448 CTVHINDANRPFIL-VIFPVBQESA-N 213.277 1.832 30 50 BDEA in-vitro CC#CC(=O)NCc1cnc(O)c2ccccc12 1155734666 UIOLXGATKCQLMK-UHFFFAOYSA-N 240.262 1.580 30 50 BDEA N#CC1(F)CCN(c2ncccc2C(=O)O)CC1 1776002641 QKCBZUKLAPKAIZ-UHFFFAOYSA-N 249.245 1.612 30 50 BDEA CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccccc1 128925 RHWBEJLEOZOCQX-SNVBAGLBSA-N 217.224 1.259 30 50 BDEA biogenic N#CCC[C@H](C#N)CN1CC[C@]2(CCOC2)C1 246437805 NSBJLKMBKBJQGB-OLZOCXBDSA-N 233.315 1.542 30 50 BDEA Cc1nnc(NCC[C@H](C)N(C)C)c(C#N)c1C 596427917 CCLYHJUKUDJOJF-VIFPVBQESA-N 247.346 1.717 30 50 BDEA CN1CCC[C@@H]1CNCc1ccc(C#N)cc1 221143834 DEVUMPJLUIZGEE-CQSZACIVSA-N 229.327 1.742 30 50 BDEA C=CCON[C@H]1CCCC[C@@H]1NOCC=C 12343867 CMVQQYFPNFSPIG-RYUDHWBXSA-N 226.320 1.712 30 50 BDEA CC#CC(=O)NCCN(C)[C@H](C)c1ccccn1 1875370521 RXRJIBMRYSVMSE-GFCCVEGCSA-N 245.326 1.214 30 50 BDEA O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CO1 1875372483 GVTMBPQAHKMOMY-NEPJUHHUSA-N 235.258 1.718 30 50 BDEA Cc1cc(NC=C2C(=O)CCCC2=O)no1 83983 PICNYDVZIUOULF-UHFFFAOYSA-N 220.228 1.601 30 50 BDEA C[C@@](O)(C#C[C@H](O)c1cccs1)C1CC1 200827 MFICLTOGKFDEHB-CMPLNLGQSA-N 222.309 1.946 30 50 BDEA Cc1cc(=O)n2c(c1C#N)SCCC2 269319 JOJVXWBXRKWFOC-UHFFFAOYSA-N 206.270 1.524 30 50 BDEA C=CCN(Cc1cccnc1)C(=O)[C@H]1CCOC1 67872908 FMPXPMAWKOJDNG-ZDUSSCGKSA-N 246.310 1.633 30 50 BDEA COc1ccnc(-n2cccc2C#N)c1C#N 1386098 RGIMXAODPMCNFE-UHFFFAOYSA-N 224.223 1.624 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)C(=O)c2ccco2)C1 215666359 SYAJARMAFUCHGP-CYBMUJFWSA-N 246.266 1.615 30 50 BDEA N#CCCN1C[C@H](O)C[C@H]1c1cccc(F)c1 281603512 GLFQWUGGPRBNLY-OLZOCXBDSA-N 234.274 1.847 30 50 BDEA C#CCOC(=O)c1cccc(OC[C@@H](C)N)c1 1857780544 PJUQXNDBZMTWEH-SNVBAGLBSA-N 233.267 1.203 30 50 BDEA C[C@H](Cc1ccc(C#N)cc1)NC(=O)[C@H]1CO1 1875372374 DWGHMXZHVVHILT-BXKDBHETSA-N 230.267 1.004 30 50 BDEA CC1(C)OB(C2=CCC23OCCO3)OC1(C)C 1875389837 RYTQUCVANPOSGH-UHFFFAOYSA-N 238.092 1.691 30 50 BDEA C=C/C(O)=N/CCc1nnnn1-c1ccccc1 328596884 BESIYJBDZJUZNY-UHFFFAOYSA-N 243.270 1.347 30 50 BDEA CC1(CC/N=C(/O)Cn2cnnc2O)CC1 329939142 SVZIGBSGDRBLMU-UHFFFAOYSA-N 224.264 1.130 30 50 BDEA C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(C)(F)F 334633358 DJYWNQDMHSCWLU-ZCFIWIBFSA-N 227.214 1.660 30 50 BDEA CNC(=O)c1ccnc(-c2ccccc2C#N)c1 534646710 JLLLQMKWVUBWFF-UHFFFAOYSA-N 237.262 1.980 30 50 BDEA C[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@@H]1[N+](=O)[O-] 100373919 KTHZKWBAAXZSHF-LDWIPMOCSA-N 225.244 1.899 30 50 BDEA COc1cccc([C@H]2C[C@@H](O)CN2CC#N)c1 282217893 OUEQGGZTUAVNAJ-DGCLKSJQSA-N 232.283 1.326 30 50 BDEA C[C@@H](C#N)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 700361124 XDJOLFSBHBPDNR-HTQZYQBOSA-N 242.275 1.514 30 50 BDEA CC1(C)OB(c2ccc3c(c2)CCN3)OC1(C)C 169745585 ZYOHYGQNRQMVMG-UHFFFAOYSA-N 245.131 1.954 30 50 BDEA in-vitro C#CC(C)(C)OC[C@H](O)CN1CCCC[C@@H]1C 16577704 PPWHBFZZVWTMPM-QWHCGFSZSA-N 239.359 1.650 30 50 BDEA N#CCC(=O)Nc1ccccc1[N+](=O)[O-] 4056634 KOSHCVNYQCNGAV-UHFFFAOYSA-N 205.173 1.447 30 50 BDEA in-vitro C=CCNC(=O)COc1cc(C)cc(C)c1 5539412 HFQQLZXUYXTSRP-UHFFFAOYSA-N 219.284 1.984 30 50 BDEA C(=N/n1cnnc1)\c1c[nH]nc1-c1ccccc1 51764 MUFXAYRAYZOJIE-FRKPEAEDSA-N 238.254 1.550 30 50 BDEA C=CC1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2N)CC1 246263693 LFZITTUNHPTNRD-XDQVBPFNSA-N 248.370 1.784 30 50 BDEA C=C/C(O)=N/C/C(O)=N/CC1(C#N)CC1 328599398 RMJOAYZKBKGEID-UHFFFAOYSA-N 207.233 1.389 30 50 BDEA N#Cc1cnc(NCCC2(O)CCCC2)nc1N 826799238 XEPFOTAIFAOURJ-UHFFFAOYSA-N 247.302 1.038 30 50 BDEA CC#CCNC(=O)Nc1cnn(CCC)c1 190020005 LKOQGVWHEVAFNP-UHFFFAOYSA-N 220.276 1.438 30 50 BDEA CNc1ncc(C#N)cc1Br 220599386 SBIYLNIKMYIRGP-UHFFFAOYSA-N 212.050 1.757 30 50 BDEA in-vitro C=CCNC(=O)c1ccc(OC)c(C)c1 9063941 FERGOWPMPYXGMM-UHFFFAOYSA-N 205.257 1.919 30 50 BDEA CN(C)C(=O)NCc1ccc(C#N)c(F)c1 335040438 LTYLHVUECMEREC-UHFFFAOYSA-N 221.235 1.469 30 50 BDEA C=CCOc1ccccc1CNc1nn[nH]n1 4897267 SKLCITKWYHNXAY-UHFFFAOYSA-N 231.259 1.377 30 50 BDEA C#CCOc1ccc(C(=O)N2CCCC2)cc1 6743384 CYKGFDSLLADICT-UHFFFAOYSA-N 229.279 1.935 30 50 BDEA COc1ccc(/C=C\C=NNC(N)=S)cc1 245240261 ORFNREOSBWPYJL-SQJPKBBMSA-N 235.312 1.527 30 50 BDEA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)[C@@H]3O[C@H]3C(=O)[C@@H]21 257356320 HIVYPZWBGZBBND-QJPZCMTPSA-N 230.263 1.290 30 50 BDEA CCC#CCN1CCN(CC(C)C)C(=O)[C@@H]1C 1529094733 KJQCNZGNUQGQSS-ZDUSSCGKSA-N 236.359 1.589 30 50 BDEA C[C@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CO1 1875325355 MCWJNKMJWCKKDU-GXTWGEPZSA-N 231.295 1.791 30 50 BDEA N/C(S)=N\Nc1cccc(Cl)c1 8681082 NBFHOAYQGXDQDR-UHFFFAOYSA-N 201.682 1.911 30 50 BDEA biogenic Cc1nc(N[C@@H](C(N)=O)C(C)C)ccc1C#N 291810636 FJVFEDJKEJNJNK-LLVKDONJSA-N 232.287 1.184 30 50 BDEA N#Cc1cccc(CN[C@@H](CCO)C(F)F)c1 585086348 GUINABMIGFOLDW-NSHDSACASA-N 240.253 1.664 30 50 BDEA Cc1cc(OCC2(CC#N)CC2)nn1C 596259991 CHFUUBKAFNTAOB-UHFFFAOYSA-N 205.261 1.801 30 50 BDEA Cc1cc(CNC(=O)c2ccc(C#N)[nH]2)ccn1 1158777708 IOCNLFPICFJYLS-UHFFFAOYSA-N 240.266 1.520 30 50 BDEA COc1ccc(C/C(=N\O)C(=O)O)cc1 13398595 IQZHUSREBYJGPY-PKNBQFBNSA-N 209.201 1.153 30 50 BDEA CNCC#CCOc1cccc(OC)c1 16624279 OCUWMWCYQLHOLQ-UHFFFAOYSA-N 205.257 1.297 30 50 BDEA CC#CC(=O)NCC[C@@H]1COc2ccccc2O1 801172273 RBLOAVOFOHPRTH-LLVKDONJSA-N 245.278 1.356 30 50 BDEA C[C@H]1CN(c2cccnc2C#N)C[C@@H](C)[S@@]1=O 1875260456 RLPXHNNYCXYJCB-FMDODWBZSA-N 249.339 1.299 30 50 BDEA COC[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc21 610925253 PVPNPVSLROBVNW-OCCSQVGLSA-N 244.294 1.371 30 50 BDEA CN(C)[C@@]1(C)CCN(c2ccc(C#N)cn2)C1 1614691840 MVAYKTHHAHTHPH-ZDUSSCGKSA-N 230.315 1.484 30 50 BDEA CC#CC(=O)N[C@H](C)[C@H](O)Cc1ccccc1 801176528 IYAMATLFDIQTIJ-DGCLKSJQSA-N 231.295 1.118 30 50 BDEA Cc1ccncc1CN=C1N[C@H](C)[C@@H](C)N1 1776003684 DMAAEVYGDSZNFQ-NXEZZACHSA-N 218.304 1.216 30 50 BDEA CN(C)Cc1cccc(NC(=O)/C=N/O)c1 4756449 VWSCSUURNRXFCS-KPKJPENVSA-N 221.260 1.147 30 50 BDEA CN(C)/C=C/c1ccc(C#N)cc1[N+](=O)[O-] 55526903 YVOLPLGZGYDRLU-AATRIKPKSA-N 217.228 1.999 30 50 BDEA N#CCNC(=O)c1cncc(C(F)(F)F)c1 335309924 GPISJOJBJUHRCA-UHFFFAOYSA-N 229.161 1.354 30 50 BDEA C/C(=N\NC(N)=S)c1ccc(F)cc1 12350299 JBOMIBNEKCISGH-WUXMJOGZSA-N 211.265 1.383 30 50 BDEA C#CC(C)(C)OC[C@H](O)CN1CCC(C)CC1 16577566 MBNKXMODDJQSBV-CYBMUJFWSA-N 239.359 1.508 30 50 BDEA CC1(C)OB([C@H]2[C@@H]3COC[C@@H]32)OC1(C)C 1857779749 HHJSEQDSZMCBIO-BRPSZJMVSA-N 210.082 1.725 30 50 BDEA N#CCCN(N)c1nc2ccccc2s1 2144200 CSGRBQHJJOBWPO-UHFFFAOYSA-N 218.285 1.890 30 50 BDEA COC(=O)[C@@H]1C(=O)C=C(O)C[C@@H]1c1ccccc1 3832770 LKFZUQQAAOFZFT-YPMHNXCESA-N 246.262 1.974 30 50 BDEA C=C[C@@]12CC[C@@H](C[C@@H]1C(=O)OC)C(=O)C2 101092805 LMNGHUOWRVSIPW-SBMIAAHKSA-N 208.257 1.721 30 50 BDEA C#CCCCNC(=O)N[C@H](C#C)C(C)C 225592532 MTUPLQYZNSQJEK-LLVKDONJSA-N 206.289 1.357 30 50 BDEA CCOC(=O)/C(=N/O)NCc1ccccc1 12336667 PHPBKSQXILNADJ-UHFFFAOYSA-N 222.244 1.127 30 50 BDEA in-vitro N#CCCN1C(=O)c2ccc(F)cc2C1=O 176381797 MOYKKGUXTOXMMW-UHFFFAOYSA-N 218.187 1.335 30 50 BDEA N=C(N)N/N=C/c1c(Cl)cccc1Cl 1522 WDZVGELJXXEGPV-YIXHJXPBSA-N 231.086 1.810 30 50 BDEA world C#CCN(C)CCc1ccc2c(c1)CCO2 192228207 LUJZGGMNWUFXBV-UHFFFAOYSA-N 215.296 1.729 30 50 BDEA CCNC(=S)N/N=C/c1ccccc1OC 2581496 OKMKWDUTTNZYLV-MDWZMJQESA-N 237.328 1.513 30 50 BDEA CC#CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1875365888 CBDQKFWGXYQQSC-CYBMUJFWSA-N 242.278 1.073 30 50 BDEA N#Cc1cccc(OCCCn2ccnn2)c1 128068088 MPORMAARERZDAU-UHFFFAOYSA-N 228.255 1.619 30 50 BDEA Cn1c(NC(=O)C2CC2)nc2cc(C#N)ccc21 2325768136 QJHTYCXDMOXZGV-UHFFFAOYSA-N 240.266 1.793 30 50 BDEA C=CCn1c(SCC)nc(O)c(CC)c1=O 246318 SZSWQHFXIROKAK-UHFFFAOYSA-N 240.328 1.809 30 50 BDEA C=CCNC(=O)c1cccc(OC)c1OC 2845930 FKPHVHZASYVXDU-UHFFFAOYSA-N 221.256 1.620 30 50 BDEA C[C@@H](NC[C@@]1(O)CCOC1)c1cccc(C#N)c1 224758723 KXDRKLKTWZVCKH-RISCZKNCSA-N 246.310 1.360 30 50 BDEA C=CCn1c([C@@H](C)OC(C)C)n[nH]c1=O 65397294 RJLFNHFWICSNNL-MRVPVSSYSA-N 211.265 1.243 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1cccc(O)c1O 126132271 XHTIMCQQTUJCLA-QMMMGPOBSA-N 234.255 1.520 30 50 BDEA N#CC1CCN(c2ccc(N)nc2)CC1 693921666 GMNDLZLVFDQKKZ-UHFFFAOYSA-N 202.261 1.404 30 50 BDEA N#Cc1ccccc1-c1cnc(C(=O)O)nc1 675069283 FDJJUZKSKLVQLX-UHFFFAOYSA-N 225.207 1.713 30 50 BDEA CC1(C)OB(c2coc(C=O)c2)OC1(C)C 169807819 YHEMDDZDHYKQGZ-UHFFFAOYSA-N 222.049 1.391 30 50 BDEA in-vitro O=C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1443039 GDPSCBPOCONUDM-GFCCVEGCSA-N 233.267 1.844 30 50 BDEA in-vitro Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C 169743797 ZLIQCQOFVHSHPX-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA CC#CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1 1875363084 IAFLDDFHVAOEJT-LBPRGKRZSA-N 244.338 1.823 30 50 BDEA CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccccc1F 268572 ZBXZJFARDXXEMB-SNVBAGLBSA-N 235.214 1.398 30 50 BDEA C#CC(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1 1775995843 HCEQQFDTGZPHGD-OLZOCXBDSA-N 229.279 1.736 30 50 BDEA CC(=O)NC1=C(C(C)=O)[C@@H]2[C@H](C1)C2(C)C 1824137 TUMHSTQCTFKTOS-KWQFWETISA-N 207.273 1.642 30 50 BDEA biogenic C=C[C@@](C)(C#CCN(CC)CC)OC(C)=O 2490226 QPHFRNWTVQESHU-ZDUSSCGKSA-N 223.316 1.839 30 50 BDEA COc1cccc(-c2nc(CC#N)n[nH]2)c1 53994820 HYKHMFQZRUDMIZ-UHFFFAOYSA-N 214.228 1.546 30 50 BDEA C=C(Cl)CN1CCN(C[C@H](O)C2CC2)CC1 1615566392 KXBNEUOOOFPFJY-LBPRGKRZSA-N 244.766 1.127 30 50 BDEA Cc1cccnc1B1OC(C)(C)C(C)(C)O1 169855881 MPNZLEVRIPNUSA-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA N#Cc1ccc(Cn2ccnn2)c(F)c1 128082160 VLZNYVFHYKILJZ-UHFFFAOYSA-N 202.192 1.337 30 50 BDEA CC[C@H](C#N)NC(=O)[C@@H]1CCC(F)(F)C1 308606037 RAICIWFAJYTJCY-HTQZYQBOSA-N 216.231 1.840 30 50 BDEA COc1ccc([C@@]2(C)O[C@H]2C#N)cc1OC 380496003 BKULVQXBYQJVMR-NWDGAFQWSA-N 219.240 1.841 30 50 BDEA CO[C@@H]1C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1 168222938 XAIXKICCDVTSDD-DTWKUNHWSA-N 229.276 1.210 30 50 BDEA in-vitro COc1ncc(C#N)cc1C(F)(F)F 38246958 LMODEHOSNLUKSK-UHFFFAOYSA-N 202.135 1.981 30 50 BDEA in-vitro O=C(c1cccc(OC[C@@H]2CO2)c1)N1CCCC1 1875378476 DQAAQQXPUTWILS-CYBMUJFWSA-N 247.294 1.700 30 50 BDEA N#Cc1cccc(-c2ccc(N)nc2C(=O)O)c1 65355614 JHMQDCMZDGDGPZ-UHFFFAOYSA-N 239.234 1.901 30 50 BDEA in-vitro C#CCN(C[C@H]1CCSC1)C1CSC1 585138212 VZJCJPKCYCHXEQ-SNVBAGLBSA-N 227.398 1.790 30 50 BDEA C=C1CN(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 1671590958 FNSGUECYBPHJDK-NWDGAFQWSA-N 238.331 1.773 30 50 BDEA Clc1cncnc1N/N=C/c1ccccn1 1875264329 ZLYZTSLHMKDSOJ-PJQLUOCWSA-N 233.662 1.971 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)c2ccc(CO)o2)C1 584890783 UMWJYYBRJVZFQG-CYBMUJFWSA-N 248.282 1.538 30 50 BDEA C#CCCC1(CCN2CC[C@H]([C@@H](C)O)C2)N=N1 2325891940 LUCZTJYHRDMRKJ-NEPJUHHUSA-N 235.331 1.655 30 50 BDEA CCOC(=O)[C@@H](C#N)c1ncccc1[N+](=O)[O-] 209730 MKAXEULUCDDLLB-ZETCQYMHSA-N 235.199 1.160 30 50 BDEA COc1cc(N/N=C/c2ccncc2)ncn1 4947139 DLYKBOZLNIKXST-VIZOYTHASA-N 229.243 1.326 30 50 BDEA CC(C)C1=CC(=NNC(=N)N)C=C(C(C)C)C1=O 33837783 NWHNFVRRWOGYKI-UHFFFAOYSA-N 248.330 1.573 30 50 BDEA COC(=O)C1(c2ccccc2C#N)CC1 95803883 VHJXKDAKXQLJMF-UHFFFAOYSA-N 201.225 1.763 30 50 BDEA in-vitro CC#CC(=O)NCc1c(C)nn(CC)c1C 801149184 ZDTNVMPRMLUCJJ-UHFFFAOYSA-N 219.288 1.159 30 50 BDEA C=CCCC1(O)CN(C(=O)OC(C)(C)C)C1 205247821 BEBZYARESSLCRK-UHFFFAOYSA-N 227.304 1.934 30 50 BDEA in-vitro N#Cc1cnn(-c2ccccc2Cl)c1N 12359349 FAKNEJZRRRHJEU-UHFFFAOYSA-N 218.647 1.980 30 50 BDEA in-vitro N#Cc1ccc(OCC(=O)N2CCCCC2)cc1 471632 WNQQMNQWBUUFMJ-UHFFFAOYSA-N 244.294 1.950 30 50 BDEA N#C[C@@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)N1CCCC1 1875293380 NUPFFHCYLMBTMV-WYUUTHIRSA-N 246.310 1.364 30 50 BDEA C[C@]1(c2ccccc2)OC(C(=O)O)=CC1=O 1841718 DFDGRKNOFOJBAJ-GFCCVEGCSA-N 218.208 1.470 30 50 BDEA in-man Cc1nccn1CCNc1ncccc1C#N 310235709 RIXZHPBFBBHPFJ-UHFFFAOYSA-N 227.271 1.570 30 50 BDEA Cn1cncc1C#CI 307393199 AEXXZQMDTRULAN-UHFFFAOYSA-N 232.024 1.164 30 50 BDEA CC(=O)Nc1cccc2c1C[C@H]1O[C@H]1C2 44082547 LNLYKHUYGFIZOO-NWDGAFQWSA-N 203.241 1.511 30 50 BDEA Cn1ncc(Cl)c1B1OC(C)(C)C(C)(C)O1 169794278 CAGNCZDZKPUJSZ-UHFFFAOYSA-N 242.515 1.373 30 50 BDEA in-vitro COc1ccc(OC)c(NC(=O)CC#N)c1 6127229 ZKFAQZPGKBJSKW-UHFFFAOYSA-N 220.228 1.556 30 50 BDEA in-vitro N/C(=N\OC(=O)c1ccco1)c1ccncc1 4318696 OGGFWPBCZFXOMI-UHFFFAOYSA-N 231.211 1.152 30 50 BDEA CCOC(=O)CN[C@@H](C#N)c1ccccc1 19986970 WTEMNGSNMIPHPY-NSHDSACASA-N 218.256 1.404 30 50 BDEA N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1N 93026 XYSYYQMDXMZFDW-UHFFFAOYSA-N 229.199 1.234 30 50 BDEA in-vitro OC[C@@H](/N=C(/O)[C@H]1CCC(O)=N1)C1CCCC1 330325065 UJVDSSKUZCPXJJ-NXEZZACHSA-N 240.303 1.613 30 50 BDEA C#CC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CCCCC1 4109896 PZDVIJAXMIWGMM-VHSXEESVSA-N 235.283 1.159 30 50 BDEA N#Cc1ccn(Cc2cncc(F)c2)c1 336442662 DOJPOWXWARWSJG-UHFFFAOYSA-N 201.204 1.942 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@H]1/C(N)=N/O 55167398 NUMIITGLIZNJIC-SSDOTTSWSA-N 229.280 1.132 30 50 BDEA in-vitro CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 225454125 RDEDHPIXPRZMSG-UHFFFAOYSA-N 241.254 1.156 30 50 BDEA COC(=O)C1CCC2(CC1)CC(C=O)C2 1875390066 PRKPHGMPVYXHSD-UHFFFAOYSA-N 210.273 1.945 30 50 BDEA C#CCCCOC(=O)C[C@@H](CN)CC(C)C 408525609 IHMQYAYTROHWNV-LBPRGKRZSA-N 225.332 1.954 30 50 BDEA C=CC[C@H]1CCCC[C@]12NC(=O)NC2=O 284127 KWWFSXZQXDGLHW-KWQFWETISA-N 208.261 1.331 30 50 BDEA COc1cccc2cc(C#N)c(=O)oc12 2573701 TZYPRPCYNHPLDY-UHFFFAOYSA-N 201.181 1.673 30 50 BDEA C=CCNC(=O)c1nn2cccnc2c1Cl 2789950 CBILHBXWXUQROT-UHFFFAOYSA-N 236.662 1.299 30 50 BDEA CN1CC[C@@H](c2ccccc2)/C1=N/CO 102192741 FJKBUEAAEIOKFK-IBPBOOLHSA-N 204.273 1.454 30 50 BDEA C[C@H]1C[C@H](C=O)N(C(=O)OC(C)(C)C)C1 117510312 HAYNQPVPECFGBT-DTWKUNHWSA-N 213.277 1.831 30 50 BDEA Oc1ccc(/C=N/Nc2n[nH]c(=S)[nH]2)cc1 6331920 OFLQLCAZDCCLEI-BJMVGYQFSA-N 235.272 1.619 30 50 BDEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccco1 281217597 DMZQQDWZUCBOME-CMPLNLGQSA-N 235.283 1.991 30 50 BDEA N#Cc1c(F)cccc1Cn1ccnc1C#N 336095840 TXVUZRBMGOPTRI-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA C#CCN1CCOC[C@H]1c1cccn1C 162402925 NSWULPVKEYJITQ-LBPRGKRZSA-N 204.273 1.032 30 50 BDEA Cc1cn2c(CNC(=O)CC#N)c(C)nc2s1 569350187 CEIPHAIUDOMQIO-UHFFFAOYSA-N 248.311 1.543 30 50 BDEA C#CC1(CNc2cc[nH]c(=N)c2C#N)CCC1 2325796334 JOTMPXFPPFLKJP-UHFFFAOYSA-N 226.283 1.581 30 50 BDEA C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C#CC1CC1 924029185 WPGDUTDAGKPFMD-IXOXFDKPSA-N 217.312 1.808 30 50 BDEA N#CCC(=O)Cc1ccccc1[N+](=O)[O-] 1050567 QNOGTAOEQLEAFB-UHFFFAOYSA-N 204.185 1.620 30 50 BDEA C=CCNC(=O)c1c(C)cc(Cl)nc1OC 2601328 JDIUORVMLNWSKC-UHFFFAOYSA-N 240.690 1.968 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@H](S)C1 39601459 QZVCJLUVFPPQLX-ZETCQYMHSA-N 203.307 1.926 30 50 BDEA CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198023993 AHGSFGUPLBRJGX-UHFFFAOYSA-N 248.135 1.813 30 50 BDEA COC(=O)/C(C)=C/B1OC(C)(C)C(C)(C)O1 197905813 DYOCUQRWRFJJIB-BQYQJAHWSA-N 226.081 1.737 30 50 BDEA CN1CCN(c2ccccc2C#N)CC1 20075999 RTVRHYSRKFDTFA-UHFFFAOYSA-N 201.273 1.310 30 50 BDEA in-vitro CC#CC(=O)NC[C@@](C)(CO)c1ccccc1 1875365049 HGCMZPZSCWQBCR-AWEZNQCLSA-N 231.295 1.076 30 50 BDEA C[C@H](C#N)CNC(=O)[C@H]1CCC(F)(F)C1 308608633 WWVSLVXXHYYWEA-SFYZADRCSA-N 216.231 1.698 30 50 BDEA CC#CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2173120 VNGKYKBKVOCMLU-UHFFFAOYSA-N 225.225 1.349 30 50 BDEA CCOC(=O)[C@@H]1C(=O)N(O)C[C@@H]1c1ccccc1 3997635 UHYXCQUAAGEZRX-MNOVXSKESA-N 249.266 1.181 30 50 BDEA CC(C)N1C[C@@H](Nc2ccc(C#N)cn2)CC1=O 32500695 IMLBDZPQXXLYMA-NSHDSACASA-N 244.298 1.374 30 50 BDEA O=[N+]([O-])c1ccc2oc(/C=N/O)nc2c1 253388101 HOBIAVJOIGRUHM-RUDMXATFSA-N 207.145 1.544 30 50 BDEA C=CCNC(=O)COc1ccc2c(c1)CCC2=O 188078788 HMOLVOFYVQCLNR-UHFFFAOYSA-N 245.278 1.497 30 50 BDEA N#Cc1cccc(NC(=O)/C=C/C(=O)O)c1 100174 RPDCJBAOYBEESZ-SNAWJCMRSA-N 216.196 1.138 30 50 BDEA COC(=O)c1cnc(C#N)c(Br)c1 307273932 KXLHKTKXNRMHET-UHFFFAOYSA-N 241.044 1.502 30 50 BDEA CCCSc1nc(CC)c(C#N)c(=O)[nH]1 5238859 SDKPXJAIZSTBHL-UHFFFAOYSA-N 223.301 1.706 30 50 BDEA CC(=O)/N=C1/NN(C(C)=O)C2(CCCC2)S1 17122657 KONPDVHWKBZRCV-UHFFFAOYSA-N 241.316 1.259 30 50 BDEA CCOc1ccc(/C=N/N=C(/N)S)cc1 18209022 DMNXZOIAXPUZKV-KPKJPENVSA-N 223.301 1.664 30 50 BDEA CCOC(=O)CN[C@H](C#N)c1ccccc1 19986974 WTEMNGSNMIPHPY-LLVKDONJSA-N 218.256 1.404 30 50 BDEA CSc1ccc(/C=N/NC(N)=S)cc1 5482983 DIOXACGFGYGYPY-IZZDOVSWSA-N 225.342 1.576 30 50 BDEA C=CCC[C@@H]1NC(=O)CCN(CC(C)C)C1=O 1875311075 MADKROCTDGLWNQ-NSHDSACASA-N 238.331 1.326 30 50 BDEA C[C@H]1CC(O)=CC(=O)[C@@H]1C(=O)OC(C)(C)C 4579098 MGWBUWIKFKKJKZ-OIBJUYFYSA-N 226.272 1.995 30 50 BDEA O=C1Nc2ccccc2/C1=N/Nc1ccccn1 7993885 DEBYELMFACDWID-UHFFFAOYSA-N 238.250 1.850 30 50 BDEA O/N=C(\C=N\O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100389639 IOYYYNNRZBHDMG-WRBHNZACSA-N 238.287 1.608 30 50 BDEA Cc1nsc(N(C)C[C@@H](C)C(=O)O)c1C#N 263561069 RNJWHQWKRSHJJT-ZCFIWIBFSA-N 239.300 1.480 30 50 BDEA N#Cc1ccc(-c2cc(C(=O)O)no2)cc1 90567227 PDHRXDLHPHLFEX-UHFFFAOYSA-N 214.180 1.911 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCCC[C@H]1C=O 16697236 KZNDGAGWQPGYTB-VIFPVBQESA-N 213.277 1.975 30 50 BDEA in-vitro Cc1ccc(/C=N/[C@H]2CCS(=O)(=O)C2)cc1 5277286 HRSBLCJLZGSLOG-OXBCTQFSSA-N 237.324 1.601 30 50 BDEA CNc1ncccc1B1OC(C)(C)C(C)(C)O1 206104738 ARTCGRLJPDOTKG-UHFFFAOYSA-N 234.108 1.423 30 50 BDEA C[C@]1(c2cccs2)C[C@H]1CNC(=O)[C@@H]1CO1 1875372418 FTZYFJFEFADFDE-AUTRQRHGSA-N 237.324 1.541 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@@H](CO)C(C)(C)[C@@H]1C 1875376961 OECGEKATCQABEW-GRYCIOLGSA-N 237.343 1.559 30 50 BDEA C=CC1CC(NCC2(N(C)C)CCOCC2)C1 1775992796 VHZPIBRZNVLISQ-UHFFFAOYSA-N 238.375 1.651 30 50 BDEA N#CCCN1CCC[C@@](O)(C(F)(F)F)C1 336490049 WOLUBDQRZOAWPV-QMMMGPOBSA-N 222.210 1.289 30 50 BDEA C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C=O 113155204 UDAVIPHGUXCSOK-DTWKUNHWSA-N 213.277 1.831 30 50 BDEA CC(=O)CC1(C#N)CN(C(=O)OC(C)(C)C)C1 260385983 JUVCFJGKXVBXJD-UHFFFAOYSA-N 238.287 1.726 30 50 BDEA CC1=C(C(=O)N=c2[nH]n(C)cc2C#N)CCC1 333050512 LBKYBSLHKFCSOV-UHFFFAOYSA-N 230.271 1.153 30 50 BDEA N#CC1(c2ccncc2)CCC(=O)CC1 66055236 LLQHEIIYYFSOMF-UHFFFAOYSA-N 200.241 1.986 30 50 BDEA in-vitro CC1(C)OB(c2ccc(C#N)c(F)c2)OC1(C)C 169747302 DMJGKVYFBOCENL-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro Cc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 169858396 LXOMIGCZWSWSQI-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA in-vitro O=C(O)C1=CN=C2C3=NC=CC[C@H]3C=C[C@H]2C1=O 64858383 TVBAVFFTADCWKG-JGVFFNPUSA-N 242.234 1.139 30 50 BDEA in-vitro CCN(CC#N)C(=O)[C@@H]1CCCO[C@@H]1C 336082595 FTVJBGHZTRVFNS-NXEZZACHSA-N 210.277 1.174 30 50 BDEA C=C1[C@H]2[C@@H]3C[C@H](C)[C@@]1(C)CC[C@@]2(CO)C(=O)O3 216485954 LGVRUXHWICRLFE-KNWICRRVSA-N 236.311 1.903 30 50 BDEA Cc1n[nH]c(B2OC(C)(C)C(C)(C)O2)c1C 206064146 QILLAYFMFSNWPG-UHFFFAOYSA-N 222.097 1.326 30 50 BDEA CN1CCCC[C@H]1CCn1cnc(C#N)n1 219668281 LLUDNRNCAKZIFW-JTQLQIEISA-N 219.292 1.024 30 50 BDEA CC#CC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 836832077 JFWKLGQZWILCLT-RYUDHWBXSA-N 223.316 1.577 30 50 BDEA CN1CCC(B2OC(C)(C)C(C)(C)O2)=CC1=O 202717417 RLIXDLNCOUHPFA-UHFFFAOYSA-N 237.108 1.406 30 50 BDEA Cc1c(C#N)c(=O)oc2cc(O)ccc12 58013 GLGBPOSQDAZSIZ-UHFFFAOYSA-N 201.181 1.679 30 50 BDEA biogenic CCC[C@@]1(C(=O)OCC)O[C@]1(C)COC 212098808 DVYQCXURJIAUED-MNOVXSKESA-N 216.277 1.524 30 50 BDEA C=CC[C@@H](CC)NC(=O)Nc1ccncn1 281427116 DXDVMGVSOOPURG-SECBINFHSA-N 220.276 1.953 30 50 BDEA CC(C)(C)OC(=O)N[C@]1(C#N)CCCNC1 238198771 YGSLFUAWXQWPQH-NSHDSACASA-N 225.292 1.157 30 50 BDEA C#CCOCCSc1nncs1 853012603 BVJKJDMLWYXJGA-UHFFFAOYSA-N 200.288 1.280 30 50 BDEA C=CCn1c(N)nnc1SC[C@H](C)OC 180955497 CXIYUJCOGJRYDI-ZETCQYMHSA-N 228.321 1.173 30 50 BDEA Cc1nc(O)c(C#N)cc1Br 39332039 XSDIDMLVJLNNNV-UHFFFAOYSA-N 213.034 1.730 30 50 BDEA in-vitro C[C@H](CC(N)=O)N(C)Cc1ccccc1C#N 1506421648 KKSUMRGCMWBXGE-SNVBAGLBSA-N 231.299 1.254 30 50 BDEA C=CCNC(=O)c1ccccc1NC(C)=O 8555362 XAIPQHFGDVLXIN-UHFFFAOYSA-N 218.256 1.561 30 50 BDEA CC(=O)C(C(C)=O)=C1Nc2ccccc2N1 100329126 GHBINTLSWUOTGR-UHFFFAOYSA-N 216.240 1.914 30 50 BDEA COC[C@@H]1CN(CCC#N)CC(C)(C)O1 343749023 XRIKURDRZNXVTJ-JTQLQIEISA-N 212.293 1.026 30 50 BDEA CC[C@@](C)(C#N)C(=O)N1CCO[C@H](CF)C1 335225093 UUHYPBXCBXQCKC-KOLCDFICSA-N 228.267 1.123 30 50 BDEA C=CCON=CC1C(=O)CC(C)(C)CC1=O 254513911 HZWMFFXLNDVJDJ-UHFFFAOYSA-N 223.272 1.749 30 50 BDEA CC#CC(=O)N[C@H]([C@H]1CCCOC1)C(F)(F)F 1875367510 JBTUGHGZADVCCK-WCBMZHEXSA-N 249.232 1.483 30 50 BDEA N#CCCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337273396 CRSLVKIMANTPJJ-XQQFMLRXSA-N 222.332 1.916 30 50 BDEA C=C[C@]12CCC(=O)N1[C@H](C(C)(C)C)OC2=O 221437269 BTUAJNQTKSSATQ-JOYOIKCWSA-N 223.272 1.463 30 50 BDEA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)[C@@H]3O[C@H]3C(=O)[C@@H]21 257356319 HIVYPZWBGZBBND-JXBDTSDUSA-N 230.263 1.290 30 50 BDEA Cc1ccc(/C=C2/S/C(=N/O)NC2=O)cc1 5614974 BWSLPVUIKGMDKG-RMKNXTFCSA-N 234.280 1.944 30 50 BDEA CC(C)(C#N)CCCn1ccncc1=O 308963002 KOWQTIUHSKOBJY-UHFFFAOYSA-N 205.261 1.573 30 50 BDEA O/N=C1/C[C@](O)(C(F)(F)F)Oc2ccccc21 4567721 UUGOBBSNVJGXCI-UGHKADQRSA-N 247.172 1.898 30 50 BDEA N#Cc1cccnc1N[C@H]1CCN2CCCC[C@@H]12 222685060 WVPQGAVZZACZFW-STQMWFEESA-N 242.326 1.992 30 50 BDEA CC(=O)NC1=C(C(C)=O)[C@H]2[C@H](C1)C2(C)C 100498776 TUMHSTQCTFKTOS-GZMMTYOYSA-N 207.273 1.642 30 50 BDEA biogenic C[C@@H](C#N)NC(=O)[C@H]1CCCC(F)(F)C1 308598818 AKULALYPIFZWOI-YUMQZZPRSA-N 216.231 1.840 30 50 BDEA C[C@@]1(c2ccccc2)CN(CC#N)CCN1 20791724 SBHKBHBLGUHFDA-ZDUSSCGKSA-N 215.300 1.331 30 50 BDEA C=CCOC(=O)[C@@H](N)CCC(=O)OC(C)(C)C 38202240 NXCBQSGSQJTRJK-VIFPVBQESA-N 243.303 1.165 30 50 BDEA N#C[C@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 253428406 JRMFBPNVHLUBPV-ZJUUUORDSA-N 232.287 1.729 30 50 BDEA O=c1sc2ccccc2n1CC/C=N/O 5740008 XRLXLFGUXAHBIP-IZZDOVSWSA-N 222.269 1.913 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 15684881 GYXJGJPHQDXPNF-JTQLQIEISA-N 236.296 1.965 30 50 BDEA FC(F)(F)c1cncc(OC[C@@H]2CO2)c1 1857780251 XBIONBGDKUYPOA-MRVPVSSYSA-N 219.162 1.878 30 50 BDEA C#C[C@H](NC(=O)NCCc1cccnc1)C(C)C 252482616 DKXYABQNMJEMGG-ZDUSSCGKSA-N 245.326 1.581 30 50 BDEA C#CC(C)(C)N1CC[C@H](O)[C@H]2CCC[C@@H]21 43204635 ABOWUBBXNPKAPQ-SRVKXCTJSA-N 207.317 1.634 30 50 BDEA C=C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)O 44857531 RFAQWADNTLIWMG-HQJQHLMTSA-N 227.260 1.540 30 50 BDEA CCC[C@H]1C[C@H](C(=O)N[C@@H](C)C#N)CCO1 181201748 QRYNFAGLRGTKBP-AXFHLTTASA-N 224.304 1.610 30 50 BDEA CN1C(=O)C[C@](CCC#N)(c2ccccc2)C1=O 71773209 HFWRXNVZZGDSAA-CQSZACIVSA-N 242.278 1.617 30 50 BDEA N#CCc1cnc(N2CCOCC2)c(Cl)c1 170079957 CWSJFNHTIDVIDA-UHFFFAOYSA-N 237.690 1.638 30 50 BDEA O=C(NCc1ccc2sccc2c1)[C@H]1CO1 1875373029 RZOILCDOWYHDMM-SNVBAGLBSA-N 233.292 1.916 30 50 BDEA N#CCc1ncsc1Br 260310565 DNQKRPSHCFXLJE-UHFFFAOYSA-N 203.064 1.972 30 50 BDEA N#Cc1cccc(N2CCc3[nH]ncc3C2)n1 301816721 DUKPQXWQQXVXKZ-UHFFFAOYSA-N 225.255 1.239 30 50 BDEA CC1(C)OB(c2cnccc2C#N)OC1(C)C 169745953 DQQFRFWEPQBNEN-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro N#Cc1cccc(CNC[C@@H]2COCO2)c1 585117044 PVGCXCXQDIIPHT-GFCCVEGCSA-N 218.256 1.021 30 50 BDEA N=C(N)N/N=C/c1ccc(Br)cc1 240535 ONHBRYWYNVUGHT-LFYBBSHMSA-N 241.092 1.266 30 50 BDEA Cc1ccc([C@H]2CN([C@H](C)C#N)CCO2)o1 248464413 RDNVEZOYESPRKP-BXKDBHETSA-N 220.272 1.873 30 50 BDEA C=C(C)C(=O)O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31 1857788298 JJMQLQLMPJLIPZ-JDDHQFAOSA-N 222.240 1.056 30 50 BDEA CC(=O)ON1C(C)(C)CC(=O)CC1(C)C 3671290 XEDCSOVFHJWCRP-UHFFFAOYSA-N 213.277 1.687 30 50 BDEA C=C1[C@H]2[C@H]3C[C@H](C)[C@@]1(C)CC[C@]2(CO)C(=O)O3 104301390 LGVRUXHWICRLFE-JNKBLFQFSA-N 236.311 1.903 30 50 BDEA C=CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101743868 VYQODKJEXGSTJT-GWOFURMSSA-N 229.279 1.370 30 50 BDEA Cc1nc(N2CC[C@@H]3CNC[C@H]3C2)ccc1C#N 261561918 GFMJPFCJBXLWCL-OLZOCXBDSA-N 242.326 1.307 30 50 BDEA CC#CCN(C)C(=O)Nc1ccncc1F 297736032 KSOOFPCGYLSPTG-UHFFFAOYSA-N 221.235 1.708 30 50 BDEA CCC#CCN1CCCN(C(=O)C2CCC2)CC1 670471419 NKNWWCJQCHAMHH-UHFFFAOYSA-N 248.370 1.734 30 50 BDEA C=CCCCCCN1CCCN(C(N)=O)CC1 193328575 PXXIWRYTCXXKFL-UHFFFAOYSA-N 239.363 1.819 30 50 BDEA C=CCON[C@@H]1CCCC[C@H]1NOCC=C 12343868 CMVQQYFPNFSPIG-VXGBXAGGSA-N 226.320 1.712 30 50 BDEA N#CCCNCC1CCN(CCC#N)CC1 15442159 SCMBBBSCSNFMDM-UHFFFAOYSA-N 220.320 1.115 30 50 BDEA CC1(C)OB(c2ccoc2C=O)OC1(C)C 169807773 PYPDEWSBYDJVFU-UHFFFAOYSA-N 222.049 1.391 30 50 BDEA COc1ccc(C[C@@]2(C)O[C@H]2C#N)cc1 307132442 HTUGQEJTTBSRQH-NWDGAFQWSA-N 203.241 1.919 30 50 BDEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)/C=C/N(C)C 3134328 ACLQWJMVPLTPKF-ANYFNZRUSA-N 244.294 1.970 30 50 BDEA C#C[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 253424117 ARFZKNUZYXNPCT-LLVKDONJSA-N 231.295 1.927 30 50 BDEA O=C1[C@H]2CC[C@@H](C2)[C@@H]1[C@]1(O)/C(=N/O)[C@H]2CC[C@H]1C2 257355792 CSDDVTKWNGAZNC-HDANRKNOSA-N 249.310 1.593 30 50 BDEA C=CCCCCCN1CCCNC(=O)[C@@H]1C 193576536 JXIMWWIFTWRPGK-LBPRGKRZSA-N 224.348 1.943 30 50 BDEA O=C1/C(=C/c2ccccn2)N2CCC1CC2 247425 ZSFXRRSLLOTWGJ-XFXZXTDPSA-N 214.268 1.717 30 50 BDEA CCOC(=O)[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 2530105 KVRRHMXPWJVDRK-JTQLQIEISA-N 234.211 1.765 30 50 BDEA in-vitro Cc1cncc(=O)n1CCCC(C)(C)C#N 330581707 RXZPFRRKYPLLAL-UHFFFAOYSA-N 219.288 1.882 30 50 BDEA CC1(C)OB(c2c(O)cccc2F)OC1(C)C 206117800 GXNDNRWVVOKEBG-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA C[C@@H]1SC(/N=C/c2ccco2)=NNC1=O 2546678 MPDUWFOCCANCNW-UEEORIODSA-N 223.257 1.221 30 50 BDEA CC(=O)NC1=C(C(C)=O)[C@@H]2[C@@H](C1)C2(C)C 100498773 TUMHSTQCTFKTOS-KCJUWKMLSA-N 207.273 1.642 30 50 BDEA biogenic COC(=O)/C(=C\c1ccc(F)cc1)[N+](=O)[O-] 71765893 JCRTWVSXRCBJQA-RMKNXTFCSA-N 225.175 1.616 30 50 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BDEA O=C1CSC(N/N=C/c2cccs2)=N1 7000186 SNTUWVGQSYQRLG-RUDMXATFSA-N 225.298 1.301 30 50 BDEA C=CCN1C(=O)CC2(C[C@H](C)O[C@@H](C)C2)C1=O 71774377 NUKRCSAADCAVFP-UWVGGRQHSA-N 237.299 1.505 30 50 BDEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccco1 281217604 DMZQQDWZUCBOME-PWSUYJOCSA-N 235.283 1.991 30 50 BDEA N#Cc1cc(Br)cc(O)c1C(=O)O 263624290 PAEZNOXICDWRSO-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA OCC#Cc1cc(Cl)cnc1Cl 77011182 UTFQNFFTTHFMIO-UHFFFAOYSA-N 202.040 1.732 30 50 BDEA in-vitro CC1(C)OB(c2ccccn2)OC1(C)C 169746829 SOQIDYYUSMPIDR-UHFFFAOYSA-N 205.066 1.381 30 50 BDEA in-vitro N#CCC(=O)Nc1ccc2c(c1)OCO2 3227355 IPGDELMADGDOMC-UHFFFAOYSA-N 204.185 1.267 30 50 BDEA in-vitro Cc1ccc(S(=O)(=O)OCC(F)F)cc1 2525258 ZUBSOOAAXYCXMN-UHFFFAOYSA-N 236.239 1.965 30 50 BDEA in-vitro CC#CC(=O)NCCc1c(C)[nH]c2ncccc12 1875379871 YREMLKRZQFSRJG-UHFFFAOYSA-N 241.294 1.553 30 50 BDEA Cc1nc(N[C@H]2CCC[C@H]2C(=O)O)ccc1C#N 311232333 LCFLWTXYJHWGFG-MNOVXSKESA-N 245.282 1.927 30 50 BDEA 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BDEA N/C(=N\O)c1cccc(-n2cccc2)c1 8552763 NAZANNYACVIARZ-UHFFFAOYSA-N 201.229 1.572 30 50 BDEA O=C(/C=[N+](\[O-])[C@H]1CCC/C1=N/O)c1ccccc1 137578901 FJVSTQFBKBCZRQ-RLLSLOIISA-N 246.266 1.833 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H](S)C1 39601461 QZVCJLUVFPPQLX-SSDOTTSWSA-N 203.307 1.926 30 50 BDEA N#Cc1cccc(C#N)c1N1C[C@@H](O)C2(CC2)C1 366774441 IUWABGARUBXJJU-GFCCVEGCSA-N 239.278 1.391 30 50 BDEA CC(=O)O[C@]1(C#N)[C@@H](C)CN(C)C[C@H]1C 252638886 YGPHKWXQVSFVPI-JZYVYDRUSA-N 210.277 1.029 30 50 BDEA CC[C@@H]1CN(c2cccc(C#N)n2)CC[C@]1(C)O 248165289 OBUOGOQWZPKEJJ-RISCZKNCSA-N 245.326 1.941 30 50 BDEA COc1ccc([C@@H](C#N)N2CCOCC2)cc1 19848521 FFBHHRZLHWDGQN-CYBMUJFWSA-N 232.283 1.592 30 50 BDEA in-vitro C=CCOc1ccc(CNCCO)cc1OC 2859569 GXLLJICQWQCBRP-UHFFFAOYSA-N 237.299 1.342 30 50 BDEA C[C@H](CN1CC(O)(CC#N)C1)c1ccccc1 194754708 LRJBTRNHRNRHIB-GFCCVEGCSA-N 230.311 1.750 30 50 BDEA CCC(=O)N1CC[C@@H](Nc2cc(C#N)ccn2)C1 585706920 BTWMANOYGYSZAF-LLVKDONJSA-N 244.298 1.376 30 50 BDEA C#CCNC(=O)c1cc(-c2ccccc2)no1 490539806 UVCOLBCSSSGWTG-UHFFFAOYSA-N 226.235 1.705 30 50 BDEA C=CCNc1nc(NCC=C)nc(OC)n1 2485684 XJLSHJLHKYZIEK-UHFFFAOYSA-N 221.264 1.076 30 50 BDEA CCN(CC)CC#CC(C)(C)OC(C)=O 2493323 HCOMDJNEFMBOCJ-UHFFFAOYSA-N 211.305 1.673 30 50 BDEA CC1(C)CC(=O)C=C(Nc2nnc[nH]2)C1 5839128 BGXYNMYHIFRMBV-UHFFFAOYSA-N 206.249 1.490 30 50 BDEA CC[C@H](CC#N)NC(=O)C1=COCCC1 183816162 DYJPUMOCGQHWNU-SNVBAGLBSA-N 208.261 1.489 30 50 BDEA C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2379460 BUPDPLXLAKNJMI-SSDOTTSWSA-N 215.249 1.540 30 50 BDEA in-vitro C[C@H]1CCCCN1CCC/N=C(\N)N(C)C 170908195 DQJYTSFJYLSVHP-NSHDSACASA-N 226.368 1.127 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@](C#N)(C(=O)O)C1 238114364 HCNPLTDBJWRSOX-LLVKDONJSA-N 240.259 1.222 30 50 BDEA in-vitro C=CC[C@@H](C)NC(=O)[C@H]1Cc2c(O)cccc2N1 952884218 KRJXKHKBKXGXBK-BXKDBHETSA-N 246.310 1.810 30 50 BDEA C#CCN(C)C/C=C/C(=O)N1C[C@@H](C)C[C@@H](C)C1 1875387578 OKGOVQYEUIOTIS-RNBGUABESA-N 248.370 1.612 30 50 BDEA CC(=O)C[C@H](C)/N=C(/O)c1ccn(C)c(=O)c1 330572189 OEVPXMFMHCMDOJ-QMMMGPOBSA-N 236.271 1.058 30 50 BDEA C=CCNC(=O)c1ccc(C(=O)NCC=C)cc1 1703248 UXDYOVNTFDMXTK-UHFFFAOYSA-N 244.294 1.518 30 50 BDEA COc1cccc(/C=N\n2c(C)nnc2C)c1O 55390894 XFJVKBXRALYWIP-QPEQYQDCSA-N 246.270 1.491 30 50 BDEA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(C)=O 4743434 LYUBYLJQOZIBQB-YRNVUSSQSA-N 249.222 1.740 30 50 BDEA CC#CCOC(=O)c1c(C)cc(C)[nH]c1=O 195561560 TUZPVHWLWDBILE-UHFFFAOYSA-N 219.240 1.172 30 50 BDEA C=CCNC(=S)N/N=C/c1ccco1 2669125 FDOJTMASNKWFLG-YRNVUSSQSA-N 209.274 1.264 30 50 BDEA C=C(C)CSc1nnc2nc(O)cc(N)n12 8606790 KQBGLDGHXDDYHO-UHFFFAOYSA-N 237.288 1.080 30 50 BDEA COC(=O)[C@H]1O[C@H]1c1ccc(C#N)cc1 12336845 BGZXIMFTXAMVRB-UWVGGRQHSA-N 203.197 1.171 30 50 BDEA N#C[C@]1(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CCSC1 136640565 ASYIJGSVHNTXBK-MEWQQHAOSA-N 248.351 1.714 30 50 BDEA C#CCN(C)CCc1ccc(OC)cc1 192230063 KJJPTKQBMAZLDX-UHFFFAOYSA-N 203.285 1.803 30 50 BDEA CO[C@@H]1CN(C(=O)[C@@H](C)CC#N)CC[C@@H]1C 597540706 NNRMIMPKCZBBME-GARJFASQSA-N 224.304 1.420 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)o1 169747211 FNPZFZKLYGWKLH-UHFFFAOYSA-N 208.066 1.887 30 50 BDEA CC#CC(=O)NCCc1c[nH]c2nc(F)ccc12 1875379811 XMBOEBIZIYJUGX-UHFFFAOYSA-N 245.257 1.384 30 50 BDEA N#Cc1cccc(CCNC(=O)NC2CC2)c1 337231952 XPTNVCHFNISPKS-UHFFFAOYSA-N 229.283 1.562 30 50 BDEA C=CCN1C(=O)[C@@H](Cc2ccccc2)NC1=S 308384 RAXMHIGASBNFRN-LLVKDONJSA-N 246.335 1.500 30 50 BDEA Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1 1624985 NOQXXYIGRPAZJC-VIFPVBQESA-N 228.269 1.099 30 50 BDEA in-vitro COCCc1ccc(OC[C@@H]2CO2)cc1 5997887 UEOWFGJMGUIGHC-GFCCVEGCSA-N 208.257 1.653 30 50 BDEA biogenic,in-vitro Cc1ncc2c(c1/C(N)=N\O)CCCCC2 72447013 MUFQHXGANJXJPN-UHFFFAOYSA-N 219.288 1.753 30 50 BDEA CC(C)(C)OC(=O)NCc1ccc(C#N)nc1 138703571 VJMBHARIHIDJMC-UHFFFAOYSA-N 233.271 1.978 30 50 BDEA CC1(C)OB(c2ccncc2C#N)OC1(C)C 169745950 LUDBQHAQFBWGNI-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro N#Cc1cccc(-n2ccc(C(=O)O)n2)c1 170618059 SHKJTABSOWWZDU-UHFFFAOYSA-N 213.196 1.442 30 50 BDEA in-vitro CNC1(C#N)CCN(Cc2ccccc2)CC1 393836 NVTHHBZDNKNEDB-UHFFFAOYSA-N 229.327 1.764 30 50 BDEA in-vitro C(=N/Nc1nnn[nH]1)\c1ccc2ccccc2c1 5669913 OCYWEGHHDXCAPI-MDWZMJQESA-N 238.254 1.799 30 50 BDEA C=CCn1c(S)nnc1-c1ccncc1 239073 YDSITGDYTVXFBE-UHFFFAOYSA-N 218.285 1.815 30 50 BDEA in-vitro COCCO[C@@H]1CCN(c2ccc(C#N)nc2)C1 275872946 VVMWFXOWRQBHLI-CYBMUJFWSA-N 247.298 1.195 30 50 BDEA CC/C(Cc1ccccc1)=N\NC(N)=S 2325809565 JRHBWARPBNEJNU-JLHYYAGUSA-N 221.329 1.828 30 50 BDEA C=CCNC(=O)C(=O)Nc1cc(C)cc(C)c1 2957961 JOMIUGPLGJKMNH-UHFFFAOYSA-N 232.283 1.544 30 50 BDEA CN1[C@H]2CC[C@H]1CN(c1nccnc1C#N)CC2 241644199 PPCOKTVPJBETOH-QWRGUYRKSA-N 243.314 1.021 30 50 BDEA CC#CCN(C)C1=NC[C@H]2CC[C@H](C)CN12 2325801436 IHXICGFBHALRDY-NWDGAFQWSA-N 219.332 1.412 30 50 BDEA N#Cc1ccc(N[C@@H]2CCC[C@H]2CO)cn1 195535354 AXDWQTMGFVEAHG-JOYOIKCWSA-N 217.272 1.526 30 50 BDEA C=CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1808061 PXHUGIIHYUKLNW-VOTSOKGWSA-N 232.239 1.910 30 50 BDEA N=C(N)N/C(N)=N\c1ccccc1C(F)(F)F 18179618 WWGJSAKTVIHBMA-UHFFFAOYSA-N 245.208 1.135 30 50 BDEA C[C@](Cc1ccccc1)(NCCC#N)C(=O)O 1857796604 XJIHVGQDSCEZTL-CYBMUJFWSA-N 232.283 1.576 30 50 BDEA c1cc2c(cc1OC[C@H]1CO1)OCCCO2 1875378464 DLDXYJNKQPUUIU-JTQLQIEISA-N 222.240 1.626 30 50 BDEA CC1=C2CC[C@]2(CO)[C@@]2(O)CC(C)(C)C=C2C1=O 2332918152 NEUACERECJKPNT-HUUCEWRRSA-N 248.322 1.746 30 50 BDEA C=CCC1(CC=C)C(=O)N(C)C(=O)N(C)C1=O 2819806 MCTNRBUJWLUDJG-UHFFFAOYSA-N 236.271 1.175 30 50 BDEA CSC(C)(C)C/N=C(/O)N=c1cns[nH]1 328596104 SGJYHYMRJREZKA-UHFFFAOYSA-N 246.361 1.428 30 50 BDEA CO/N=C/[C@H](C#N)[C@@H]1OC(=O)c2ccccc21 5248315 WYFRJKLUFWTNAF-BCZIDPNWSA-N 230.223 1.670 30 50 BDEA Cc1nc(N[C@@H]2CCC[C@H]2O)ccc1C#N 291630799 AGPFMRMBUHRYNI-GHMZBOCLSA-N 217.272 1.587 30 50 BDEA C#CCOc1ccc(C=O)cc1OCC 2597291 PODDLMWNBNRQJK-UHFFFAOYSA-N 204.225 1.910 30 50 BDEA in-vitro CC#CC(=O)NC[C@H]1C(F)(F)C12CCOCC2 1875370182 FHQCXQZTSZLEJB-SECBINFHSA-N 243.253 1.188 30 50 BDEA CC#CC(=O)N(C)C[C@]1(OC(C)C)CCOC1 1875382790 RKBNZYRSODPOKJ-CYBMUJFWSA-N 239.315 1.052 30 50 BDEA O=C([C@@H]1CO1)N1CC[C@@H]1c1cccc(F)c1 1875373326 YOCKVEIHGRZDIF-MNOVXSKESA-N 221.231 1.498 30 50 BDEA N#CC1[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 113872857 PRIFHQKHPSERRU-ZIAGYGMSSA-N 242.322 1.905 30 50 BDEA O=C1C=CC(=O)C2=C1[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12 104286729 GEHCNIXIVQUQPV-JXUBOQSCSA-N 210.232 1.609 30 50 BDEA CC(C)C[C@@H](C/N=C(\N)N(C)C)N1CCCC1 170910300 QEQJXBRYNPJILT-LBPRGKRZSA-N 240.395 1.373 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)C(=O)c2ccco2)C1 215666405 SYAJARMAFUCHGP-ZDUSSCGKSA-N 246.266 1.615 30 50 BDEA Cc1cc(=O)oc2cc(OC[C@H]3CO3)ccc12 11766726 RKTDLLDEZCGFKQ-JTQLQIEISA-N 232.235 1.879 30 50 BDEA biogenic COC(=O)C(F)(C(F)(F)F)C(F)(F)F 2566834 CGMUKBZUGMXXEF-UHFFFAOYSA-N 228.063 1.992 30 50 BDEA in-vitro COc1cccc(C(=O)N(CC#N)CC#N)c1 284695 YGSOMHYUFIKQHN-UHFFFAOYSA-N 229.239 1.185 30 50 BDEA C=CCNC(=S)n1nnc2ccccc21 6293463 NEHKVFMFTNUABB-UHFFFAOYSA-N 218.285 1.340 30 50 BDEA CN(C)C/C=C/C(=O)NCc1ccc(C#N)s1 493698367 TWWDGAGGSRHSLJ-ONEGZZNKSA-N 249.339 1.354 30 50 BDEA N#CCC(=O)NN1CCCc2ccccc21 585087483 UTJYTGYZXNAVMI-UHFFFAOYSA-N 215.256 1.384 30 50 BDEA CCn1nccc1/C=C/C(=O)c1ccn(C)n1 165160840 WTQDMCVVZYOQMX-SNAWJCMRSA-N 230.271 1.533 30 50 BDEA COc1cc(CC#N)cc(OC)c1OC 157020 ACFJNTXCEQCDBX-UHFFFAOYSA-N 207.229 1.778 30 50 BDEA in-vitro CS[C@H](C)C(=O)Nc1cccnc1C#N 952881719 CNDCYQGSWAYORM-SSDOTTSWSA-N 221.285 1.643 30 50 BDEA O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CO1 1875372484 GVTMBPQAHKMOMY-NWDGAFQWSA-N 235.258 1.718 30 50 BDEA CN(CCN1CCCCC1)c1cc(C#N)ccn1 593518463 ZXONZBBGUXLIMB-UHFFFAOYSA-N 244.342 1.875 30 50 BDEA N#CCCNC[C@H]1OCCc2ccccc21 2479964 QKGMGTWUQWSKBN-CYBMUJFWSA-N 216.284 1.804 30 50 BDEA C=C/C(O)=N/Cc1cn(-c2ccccc2)nn1 328596951 BUVJORIFKQEIIQ-UHFFFAOYSA-N 228.255 1.910 30 50 BDEA C=C(C)CN(C)C(=O)[C@@H]1[C@@H](C)C1(F)F 336018617 ZTRUJDPKXKPQFN-SFYZADRCSA-N 203.232 1.922 30 50 BDEA C[C@@H](NCC#N)c1nc(Cc2ccccc2)no1 170594756 FRNWTDYJROFEBA-SNVBAGLBSA-N 242.282 1.835 30 50 BDEA C=CCN1Cc2ccc(C(=O)O)cc2C1 185861 WHGFCGQHYATRGY-UHFFFAOYSA-N 203.241 1.886 30 50 BDEA biogenic Cc1ccc(/C=N\N=C2/NC(=O)CS2)s1 4755132 ZAGQQCYYJRJTBK-WMZJFQQLSA-N 239.325 1.609 30 50 BDEA C/C(=N\NS(C)(=O)=O)c1ccc(F)cc1 4989765 WPHFEKLLQWMXAC-YRNVUSSQSA-N 230.264 1.099 30 50 BDEA N#C[C@]1(N)CCCN(Cc2ccccc2)C1 36904575 DEMKLTJJHWNWMQ-CYBMUJFWSA-N 215.300 1.503 30 50 BDEA N#Cc1ccc(CNc2cnccn2)cc1 4110210 IIMDIEHJPLKORA-UHFFFAOYSA-N 210.240 1.960 30 50 BDEA Cn1nnc2cc(C#N)cc(Br)c21 95496068 CAFPOWQQJUJCIW-UHFFFAOYSA-N 237.060 1.602 30 50 BDEA Cc1cc(C)c(C#N)c(-n2cnc(Cl)n2)n1 253411756 PBFRWKWWUJIIIU-UHFFFAOYSA-N 233.662 1.804 30 50 BDEA COc1ccc(C(=O)CC#N)cc1OC 2579780 JFSNSYKHZRHIGE-UHFFFAOYSA-N 205.213 1.800 30 50 BDEA biogenic,in-vitro C[C@@H]1SC(N/N=C/c2ccccc2O)=NC1=O 2570789 ZOZGHZDWFKIFMA-NYYVKIQXSA-N 249.295 1.334 30 50 BDEA COc1nc(C)cc(N(C)C[C@H](C)C#N)n1 260365607 ZFNFJSQYTOUEAF-MRVPVSSYSA-N 220.276 1.390 30 50 BDEA CCn1cc(-c2ccc(OC[C@H]3CO3)cc2)nn1 1875378590 HBCDOTUDXGHICB-LBPRGKRZSA-N 245.282 1.743 30 50 BDEA CC1(C)CC(NC(=O)CC#N)CC(C)(C)N1 2545786 DYTSJZQXKPCSIP-UHFFFAOYSA-N 223.320 1.325 30 50 BDEA C=CCNC(=O)c1cccc([N+](=O)[O-])c1C 2707870 BENPODRZGCFGAF-UHFFFAOYSA-N 220.228 1.819 30 50 BDEA C=CCNc1ccccc1C(=O)N1CC(O)C1 65493220 URHAAYOFIWJWIB-UHFFFAOYSA-N 232.283 1.101 30 50 BDEA N#CCn1cc(I)cn1 1432444 VWWQXOACJJDOCA-UHFFFAOYSA-N 233.012 1.011 30 50 BDEA C=CCO[C@H]1CCN(CCC2OCCO2)C1 125849048 FXCRSWJIZDZFLF-NSHDSACASA-N 227.304 1.026 30 50 BDEA C#CCCCOc1ncccc1C(N)=S 263623159 FGAYNRVEXCWCIV-UHFFFAOYSA-N 220.297 1.508 30 50 BDEA CC1(C)OB(c2cncc3[nH]ccc23)OC1(C)C 170006198 PHCGSGGLCPMTHA-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro C#CCN(C)C(=O)c1ccc(N(C)C)cc1F 191124575 RLGIASUFXYFLJH-UHFFFAOYSA-N 234.274 1.597 30 50 BDEA CC#CC(=O)NCc1ccc(C#N)c(OC)c1 793268311 GHGXUQMKIRDEMU-UHFFFAOYSA-N 228.251 1.206 30 50 BDEA COc1c(Br)cnc(N)c1C#N 15021610 CGPCHEQVFUTJLL-UHFFFAOYSA-N 228.049 1.307 30 50 BDEA in-vitro CC1CCC2(CC1)[C@H](C#N)C(=O)NC(=O)[C@H]2C#N 2485745 SXEQKBZCLSQTLA-NXEZZACHSA-N 245.282 1.119 30 50 BDEA C[C@@]1(C(=O)N[C@@H]2CCCc3ccccc32)CO1 1875325583 PVKJQZAAFDPVND-OCCSQVGLSA-N 231.295 1.969 30 50 BDEA O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)[C@H]1CO1 1875373061 SWBOCIICULHSAD-JHJVBQTASA-N 247.294 1.249 30 50 BDEA COC(=O)Cn1c(C)c(C#N)c2ccccc21 304336 WASWCQRHPXAKAF-UHFFFAOYSA-N 228.251 1.994 30 50 BDEA O/N=C1\CCCc2c1nc(-c1ccco1)n2O 4713534 QWAAWWCVKPFVMZ-NTUHNPAUSA-N 233.227 1.895 30 50 BDEA C#CCN(C)C(=O)c1cc(C)n(CC)c1C 253417706 GYCUCSKEDVJPBS-UHFFFAOYSA-N 218.300 1.830 30 50 BDEA N#Cc1ccc(N2CCC[C@H](CO)C2)cn1 131881491 MOGZMQHUQNEBNM-JTQLQIEISA-N 217.272 1.162 30 50 BDEA C#CC1CCN(Cc2c(C)nn(C)c2C)CC1 585089101 HUMKPBYUDHJBBG-UHFFFAOYSA-N 231.343 1.882 30 50 BDEA Cc1ccc(N2CC[C@@H](C#N)C2=O)cc1 12336631 RCFHBENPHFOKST-JTQLQIEISA-N 200.241 1.872 30 50 BDEA in-vitro CC(C)C#CC(=O)N1CCCc2c(cnn2C)C1 952895687 VXPOZZITCOSHFS-UHFFFAOYSA-N 245.326 1.354 30 50 BDEA N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CO1 1875372515 HHFIOXOPXWQFRN-VXGBXAGGSA-N 228.251 1.061 30 50 BDEA C=CCn1c2ccccc2n2nc(C)c(=O)nc12 268672 XXXXOPZABIVELG-UHFFFAOYSA-N 240.266 1.539 30 50 BDEA N#Cc1n[nH]cc1-c1cccc(C(=O)O)c1 67654785 LSYLYDVAVLZURZ-UHFFFAOYSA-N 213.196 1.647 30 50 BDEA C=CC(=O)NC1(c2cccc(C#N)c2)CC1 1335288550 YYGZGWJWBPTNFN-UHFFFAOYSA-N 212.252 1.850 30 50 BDEA C#C[C@H](CO)NCc1ccc(Cl)s1 585117041 PTBWAQZUFRRMKE-SSDOTTSWSA-N 215.705 1.485 30 50 BDEA CCOC(=O)CC(=O)c1ccc(C#N)cc1 4253991 ITKQVWKZLCNILF-UHFFFAOYSA-N 217.224 1.694 30 50 BDEA in-vitro C[C@H]1C[C@H]1c1nc(C#N)c(N2CCOCC2)o1 1775965067 TYRSKDOMUQCVQB-DTWKUNHWSA-N 233.271 1.506 30 50 BDEA Cc1cnc(C)c(B2OC(C)(C)C(C)(C)O2)c1 169969054 YBBSPCPDRHRFBS-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA CN1CCC[C@H](CN(C)c2cnc(C#N)cn2)C1 124777443 KFQOXSVVSXSXTN-NSHDSACASA-N 245.330 1.126 30 50 BDEA O=C(NC1(c2ccccc2)CC1)[C@@H]1CO1 1875373287 XNTDRPVJLBFZCT-JTQLQIEISA-N 203.241 1.191 30 50 BDEA CC#CC(=O)N[C@@H]1CN(CC)Cc2ccccc21 1875377136 UANHWZLEEGYQJI-CQSZACIVSA-N 242.322 1.703 30 50 BDEA Cc1cc(C#N)cc(N2CCCC[C@H](CO)C2)n1 367327718 SWRBDWLTFJZEJL-LBPRGKRZSA-N 245.326 1.861 30 50 BDEA N#Cc1c(NCC2(CF)CCC2)cc[nH]c1=N 2325789553 XKNRZEYWCWWEDM-UHFFFAOYSA-N 234.278 1.918 30 50 BDEA C[C@@H](O)CNc1nc(Cl)c(C#N)s1 406073 OVNZZRDNCUSTQX-SCSAIBSYSA-N 217.681 1.461 30 50 BDEA N#Cc1cn(-c2ccccc2)sc1=N 4440928 CSJGWJLQHGBVTD-UHFFFAOYSA-N 201.254 1.890 30 50 BDEA CCCCCCCCC[C@H](O)[C@@H](O)C(=O)O 101446950 JJIJQULYODNGKJ-WDEREUQCSA-N 232.320 1.934 30 50 BDEA N#CCC(=O)c1ccc(N2CCOCC2)c(F)c1 4051776 HDUCQLKPMVTMLA-UHFFFAOYSA-N 248.257 1.759 30 50 BDEA Cc1cnn(C/C(O)=N/CCN2CC=CCC2)c1 330074460 FQTNXELWUHFBAL-UHFFFAOYSA-N 248.330 1.410 30 50 BDEA O=C(O)CCC/N=C(\O)OCc1ccccc1 82058967 STQMDRQJSNKUAW-UHFFFAOYSA-N 237.255 1.982 30 50 BDEA in-vitro COC(=O)[C@H](C#N)c1ccc(F)cc1[N+](=O)[O-] 82046485 JXZFDKZJFAHOIK-MRVPVSSYSA-N 238.174 1.514 30 50 BDEA in-vitro N#Cc1c[nH]ccc1=NO[C@H](CO)C1CCCC1 1615054716 ARWFBLLWGCPOQO-CYBMUJFWSA-N 247.298 1.270 30 50 BDEA C=C(C)C[C@H](C)C(=O)N=c1ccn(C)c(O)n1 585126961 MGXHSUXYIRQXRS-VIFPVBQESA-N 235.287 1.155 30 50 BDEA CC(=O)N(C1CC1)[C@@H](C#N)c1ccc(O)cc1 1857778860 LFOHKIROWSPTBD-ZDUSSCGKSA-N 230.267 1.968 30 50 BDEA O=C(c1ccc(OC[C@@H]2CO2)cc1)N1CCCC1 1875378487 DWKCRKBXUTZZNF-CYBMUJFWSA-N 247.294 1.700 30 50 BDEA C=C1CCN(c2nccnc2C#N)CC1 264447453 HHTGKUOTDBLBAG-UHFFFAOYSA-N 200.245 1.505 30 50 BDEA N#Cc1cc(C(F)(F)F)ccc1C(=O)C(=O)O 725262045 SVUYOFQMIWPTAB-UHFFFAOYSA-N 243.140 1.844 30 50 BDEA C#CCN1CCC(C(=O)OC(C)(C)C)CC1 490604760 LPHLFOILAJZNGM-UHFFFAOYSA-N 223.316 1.673 30 50 BDEA CC1(C)OB(C2=CC(=O)CC2)OC1(C)C 203661377 CGTGLMSBJLJNCL-UHFFFAOYSA-N 208.066 1.907 30 50 BDEA in-vitro COc1cccc(/C=N/N=C2/NC(=O)CS2)c1 1233172 BGBLLHLHSYVTAD-WUXMJOGZSA-N 249.295 1.248 30 50 BDEA CC#CC(=O)NCc1ccc(C(F)(F)F)nc1 1875378422 CSWNHHZEPPUZTF-UHFFFAOYSA-N 242.200 1.740 30 50 BDEA C=C(CNC(=O)C#CC)C1CCOCC1 1875370614 VSQZOCGPXHZGOA-UHFFFAOYSA-N 207.273 1.109 30 50 BDEA C=C(C)C(=O)O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 1857788300 JJMQLQLMPJLIPZ-SOYHJAILSA-N 222.240 1.056 30 50 BDEA Cc1c(C#N)cc(C#N)c(=O)n1C(C)C 395958 DRYBUXNAMHBDNW-UHFFFAOYSA-N 201.229 1.481 30 50 BDEA N#CC(C#N)=NNc1ccc(C(=O)O)cc1 3163839 YIVFVVDFGWXSHG-UHFFFAOYSA-N 214.184 1.200 30 50 BDEA C#CCSc1nnc(-c2ccc(O)cc2)n1C 9142825 OJDWUXDXHNOFRI-UHFFFAOYSA-N 245.307 1.913 30 50 BDEA C[C@H](NC(=O)CC#N)[C@H]1C[C@H]2CC[C@H]1C2 100909094 LFQOMKVFNXQTFL-XWLWVQCSSA-N 206.289 1.841 30 50 BDEA CNC(=O)[C@@H](C#N)C(=O)C1CCCCCCC1 170645592 PKYBADGHGQZJCI-NSHDSACASA-N 236.315 1.802 30 50 BDEA C#CCNC(=O)[C@@H](C)Nc1cnn(C(C)(C)C)c1 186259900 XZJIYUIIIDSKEV-SNVBAGLBSA-N 248.330 1.188 30 50 BDEA C=C[C@@H]1CCN(C(=O)c2cnc(C)nc2)C1 1506400894 YOAIYWMQJNHLEA-SNVBAGLBSA-N 217.272 1.433 30 50 BDEA CC[C@H]1CCN/C(=N/CCc2ccoc2)N1 1776003625 BDWKQXUUOORGTO-NSHDSACASA-N 221.304 1.540 30 50 BDEA N#CC1CN(C(=O)CCc2ccc(O)cc2)C1 590490723 OBYPGVHTIUEJKH-UHFFFAOYSA-N 230.267 1.307 30 50 BDEA C=CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 36468154 SCHTYFMQEMJOJF-LBPRGKRZSA-N 244.294 1.767 30 50 BDEA CCC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)C1 132128229 VBNNCJKLCIFRKD-LBPRGKRZSA-N 244.298 1.376 30 50 BDEA CC1(C)OB(c2cncc(C(=O)O)c2)OC1(C)C 198450578 HJTYOQPLTYTEIV-UHFFFAOYSA-N 249.075 1.079 30 50 BDEA Cn1ccc(B2OC(C)(C)C(C)(C)O2)c1 169743539 SYAMJGBBLFTQTK-UHFFFAOYSA-N 207.082 1.324 30 50 BDEA in-vitro C[C@H](C#N)OC(=O)c1nnc(O)c2ccccc12 747112739 QYYBSQUJCRKNPD-SSDOTTSWSA-N 243.222 1.404 30 50 BDEA Cc1ccc(-n2nc(C)c(C#N)c2N)cc1 14985516 SBYZZFQOSVAJLI-UHFFFAOYSA-N 212.256 1.943 30 50 BDEA C[C@@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CO1 1875325357 MCWJNKMJWCKKDU-OCCSQVGLSA-N 231.295 1.791 30 50 BDEA CCc1nn(C)cc1B1OC(C)(C)C(C)(C)O1 211223101 YLKPOHNZXRNSDB-UHFFFAOYSA-N 236.124 1.282 30 50 BDEA C=CCC[C@H](O)CN1CC[C@@H]2CCN(C)C[C@@H]21 328586878 XTHKWFARLYXNLP-IHRRRGAJSA-N 238.375 1.340 30 50 BDEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)C#CC 283736206 GETGREYDYCPUSF-CMPLNLGQSA-N 207.273 1.107 30 50 BDEA CC1(C)COB(c2ccc(Cl)nc2)OC1 169946581 PORXRXSPSQYVBP-UHFFFAOYSA-N 225.484 1.503 30 50 BDEA in-vitro C/N=C(\N)NCc1cccc(CSC)c1 187842149 YJSBFDNQLORFJR-UHFFFAOYSA-N 223.345 1.584 30 50 BDEA N#C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCOC1 1875365269 GJRNZLOVOQZION-NWDGAFQWSA-N 236.315 1.612 30 50 BDEA N#C/C(=N\O)c1nc2ccccc2s1 13132499 USOUGMJKPPEOEY-KPKJPENVSA-N 203.226 1.998 30 50 BDEA CC1(C)OB(c2ccc3c(c2)OCO3)OC1(C)C 169747554 OZPPRBAFKGOJLZ-UHFFFAOYSA-N 248.087 1.715 30 50 BDEA N#Cc1cc(N2CCc3c[nH]nc3C2)ccn1 912002901 VPQHHSKLHLWOBF-UHFFFAOYSA-N 225.255 1.239 30 50 BDEA C#CCCC1(CCC(=O)N2CC[C@H]2COC)N=N1 952880474 BKNWSHBKUWRCTB-NSHDSACASA-N 249.314 1.589 30 50 BDEA COC(=O)[C@H]1C(=O)C=C(O)C[C@@H]1c1ccccc1 3832769 LKFZUQQAAOFZFT-DGCLKSJQSA-N 246.262 1.974 30 50 BDEA N#Cc1c2n(c3c(N)ncnc13)CCCCC2 4817286 ZJKJCMVEAVZAGT-UHFFFAOYSA-N 227.271 1.612 30 50 BDEA C#CC(C)(C)N1CCC(=O)[C@H]2CCC[C@H]21 216216178 FZSAALMSLBQPTN-WDEREUQCSA-N 205.301 1.842 30 50 BDEA C=CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 176484273 ZTMWNHDPAUPDKF-ZJUUUORDSA-N 223.320 1.097 30 50 BDEA CN1CCCN(c2ccccc2C#N)CC1 12370645 WKJLOVRBRYDGGK-UHFFFAOYSA-N 215.300 1.700 30 50 BDEA CNCC#CCOc1cc(C)ccc1C 16624148 OESPZYXZQLBFRZ-UHFFFAOYSA-N 203.285 1.905 30 50 BDEA CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169951892 WNKCFPAMQIAINY-UHFFFAOYSA-N 247.147 1.705 30 50 BDEA CCN1[C@@H](C)CN(c2ncncc2C#N)C[C@H]1C 874435047 KDKLWVSCWCXQLW-PHIMTYICSA-N 245.330 1.267 30 50 BDEA C=C(CN[C@@H](CCCO)c1ccccc1)C(=O)O 2325851697 GSGDNUPYQLOCCS-ZDUSSCGKSA-N 249.310 1.731 30 50 BDEA C=CCOc1cccc(C(=O)NCCN(C)C)c1 2873870 HAUINSWBAGEFPN-UHFFFAOYSA-N 248.326 1.543 30 50 BDEA C=CCN(CC=C)C(=O)CN1C[C@H]2CC[C@H]1C2 102678959 GTXFGZUNYZIJJW-STQMWFEESA-N 234.343 1.671 30 50 BDEA N#CCCNc1ccc2c(c1)OCCO2 3888020 KICOETUQMOSVHY-UHFFFAOYSA-N 204.229 1.783 30 50 BDEA in-vitro COCc1cc(C#N)ccc1N1CC(C)(OC)C1 585092785 NQNUZVWZBRSYFE-UHFFFAOYSA-N 246.310 1.930 30 50 BDEA O=C([C@H]1CO1)N(Cc1ccccc1)C1CC1 1875373140 UWLMPGCMRUMZAM-GFCCVEGCSA-N 217.268 1.576 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@@H](Cc2ccccc2)C1 1875372398 FHFFVWFHXHPNOT-KBPBESRZSA-N 245.322 1.867 30 50 BDEA C#CCN1C(=O)C(C)(C)Nc2ccccc21 57929412 GJFHWHGPAQQKTA-UHFFFAOYSA-N 214.268 1.857 30 50 BDEA CCOC(=O)/C(=C\N(C)C)C(=O)c1ccccc1 39269061 YBFKACALUIUGHN-BENRWUELSA-N 247.294 1.878 30 50 BDEA COC(=O)c1cccc2c(C#N)c[nH]c12 71973924 GXGCVEVNRZWNRA-UHFFFAOYSA-N 200.197 1.826 30 50 BDEA in-vitro NC(=S)N/N=C/c1ccc2ccccc2n1 17353576 GQSVPIHNHFNXNY-NTUHNPAUSA-N 230.296 1.402 30 50 BDEA O=C(/C=C\c1cc[n+]([O-])cc1)c1cccnc1 4566920 YNTJGHZQOOWRES-ARJAWSKDSA-N 226.235 1.611 30 50 BDEA C=CC[C@H](CC(=O)O)NC(=O)OC(C)(C)C 2385909 RFHPQLCVYMBPRF-MRVPVSSYSA-N 229.276 1.931 30 50 BDEA in-vitro C=CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 472845 ZPAQSZIDGBNTNX-UHFFFAOYSA-N 227.241 1.555 30 50 BDEA C[C@@H](CO[C@H]1CCOC1)Nc1ccc(C#N)cn1 133832607 LQRMGYGLFUUKAM-JQWIXIFHSA-N 247.298 1.559 30 50 BDEA N#Cc1cc(Cn2cnccc2=O)ccc1F 230179528 QEJUELSGBHGSIK-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)O[C@@H]3C2 43763196 WPANITOANUCSAR-XKSSXDPKSA-N 216.302 1.541 30 50 BDEA C=C1CN(c2cc(C)nc(COC)n2)C1 585092820 PFFAQDOZICUZFJ-UHFFFAOYSA-N 205.261 1.308 30 50 BDEA CCN1CCc2c(sc(N)c2C#N)C1 2196683 XTYAYGWNMNCCLD-UHFFFAOYSA-N 207.302 1.580 30 50 BDEA in-vitro CC1=C(B2OC(C)(C)C(C)(C)O2)CNCC1 1857782051 JOVBALQWVCOKIF-UHFFFAOYSA-N 223.125 1.928 30 50 BDEA Cc1ccn(CCOCC2CC2)c(=O)c1C#N 183279414 QBHMXWMMKNUACZ-UHFFFAOYSA-N 232.283 1.455 30 50 BDEA C[C@@H](C#N)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 402696738 DUKATVXOTAVDPN-BJDJZHNGSA-N 218.300 1.865 30 50 BDEA NC(N)=Nc1ccc(Cl)c(Cl)c1 25665052 NNRSVGLUJAPMQD-UHFFFAOYSA-N 204.060 1.898 30 50 BDEA CC(=O)N(C)c1cccc(C(=O)/C=C/N(C)C)c1 22010618 CWHTXVLCGAQQRA-CMDGGOBGSA-N 246.310 1.927 30 50 BDEA C=C(Cl)CN1CCN(C2CC2)C(=O)C1 328589344 RICLVEXZISOBAV-UHFFFAOYSA-N 214.696 1.046 30 50 BDEA CC1(C)OB(c2ccc3c(c2)CCO3)OC1(C)C 169747480 RWJUUXWJBMIGKA-UHFFFAOYSA-N 246.115 1.921 30 50 BDEA in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCC(=O)NCC#N)C2 195568868 MBLKPZBXNMKLJT-MJVIPROJSA-N 249.358 1.431 30 50 BDEA COC(CNC1=CC(=O)CC(C)(C)C1)OC 18254555 KOIKSIPGCZMSIJ-UHFFFAOYSA-N 227.304 1.468 30 50 BDEA CC[C@](C)(C#CCN1CCOCC1)OC(C)=O 19594281 YECHVTLCUNZBBX-CYBMUJFWSA-N 239.315 1.054 30 50 BDEA CC#CC(=O)N(C)C[C@@]1(OC(C)C)CCOC1 1875382791 RKBNZYRSODPOKJ-ZDUSSCGKSA-N 239.315 1.052 30 50 BDEA Cn1nc(C(F)(F)F)c(C(=O)O)c1C#N 1772717127 YVOGZEYUHMXRKW-UHFFFAOYSA-N 219.122 1.009 30 50 BDEA C#CCCC1(CCN2CC[C@H]([C@H](C)O)C2)N=N1 2325891942 LUCZTJYHRDMRKJ-RYUDHWBXSA-N 235.331 1.655 30 50 BDEA C=CCNC(=O)C(=O)NC1CCCCCC1 2991928 DEEINFVXEHBKSG-UHFFFAOYSA-N 224.304 1.128 30 50 BDEA N#Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2O3)nc1 110680649 JLCHVVPVUJKAIO-OUAUKWLOSA-N 215.256 1.685 30 50 BDEA CCOC(=O)[C@H](C#N)c1ccc(C#N)cc1 34415760 IBVDVRMADXPBIA-LLVKDONJSA-N 214.224 1.729 30 50 BDEA Cc1scnc1B1OC(C)(C)C(C)(C)O1 238474226 CFRIVYHHIKBCFC-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA CCN(C[C@H]1CCCCO1)c1nccnc1C#N 1529179797 DVPMXLRSOAAQIN-LLVKDONJSA-N 246.314 1.744 30 50 BDEA CCCn1nnnc1/N=C(\O)Cc1ccccc1 467624 NBGFJGUKYXTXJE-UHFFFAOYSA-N 245.286 1.914 30 50 BDEA CC[C@H](Oc1ccccc1)C(=O)NCC#N 2735219 CKMRAIOCSNXWKX-NSHDSACASA-N 218.256 1.484 30 50 BDEA Cn1nnnc1SCc1ccccc1C#N 617522 CBGHDMHFOAUONR-UHFFFAOYSA-N 231.284 1.374 30 50 BDEA NN1C(=O)CS/C1=N\c1ccccc1 6658741 IIBRMIIEVISXSO-LUAWRHEFSA-N 207.258 1.123 30 50 BDEA N#Cc1ccc2c(c1)NC(=O)[C@@H]1CCCN21 1384511 XHSZJQLCGQWYPQ-NSHDSACASA-N 213.240 1.479 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@](C#N)(CCO)C1 263624059 NBHNUADPEMTSIS-LBPRGKRZSA-N 240.303 1.520 30 50 BDEA CC(C)(C)c1nsc(NCC#CCO)n1 309078130 MYEBYTKVYDBOLK-UHFFFAOYSA-N 225.317 1.243 30 50 BDEA C#CCSc1nc2ncc(C(C)=O)c(C)n2n1 5423620 QVRBKESQQFESET-UHFFFAOYSA-N 246.295 1.361 30 50 BDEA C/C(=N\NC(=S)N1CCC1)c1ccccn1 5648662 XDHBUMNIQRLHGO-UKTHLTGXSA-N 234.328 1.386 30 50 BDEA in-vitro CC1(C)[C@H]2CC[C@]1(C)/C(=N\Nc1nnn[nH]1)C2 12384177 RJEDFHYKZQUSQN-IEZQZJJWSA-N 234.307 1.814 30 50 BDEA Cc1cnn(C)c1B1OC(C)(C)C(C)(C)O1 169746094 NOZSCXDKBYFTBH-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA in-vitro CC(/C=C/c1ccco1)=N\NC(N)=S 5480173 FHTMWDJCUNOZPN-LUIVOBPISA-N 209.274 1.502 30 50 BDEA C#C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 842392158 KVMSPONNLGNVDQ-IJLUTSLNSA-N 245.234 1.569 30 50 BDEA N#Cc1ccccc1NC(=O)[C@H]1CCCO1 617875 IWLXGMIZDLRQFK-LLVKDONJSA-N 216.240 1.676 30 50 BDEA C[C@H]1SCC(=O)N(c2ccc(C#N)cc2)C1=O 1396927 HOOKNEIZSBVBSJ-MRVPVSSYSA-N 246.291 1.553 30 50 BDEA c1ccc(CO[C@@H]2[C@H]3CO[C@@H](O3)[C@@H]3O[C@@H]32)cc1 217991989 YVZYNXNBLFZJNU-VEGXAWMVSA-N 234.251 1.094 30 50 BDEA COc1ccc2c(c1)c(=O)ccn2CC#N 40162871 XNUPSSRZISQXGS-UHFFFAOYSA-N 214.224 1.534 30 50 BDEA COC(=O)CC[C@@H](C=O)NC(=O)OC(C)(C)C 238352117 GCHJBJYYCKLFMY-QMMMGPOBSA-N 245.275 1.032 30 50 BDEA Cc1nnc(CCNc2ccc(C#N)nc2)n1C 192889069 DRMWIOREWQVQHO-UHFFFAOYSA-N 242.286 1.045 30 50 BDEA C[C@H](O)CN1CCN(CCCCC#N)C[C@@H]1C 229375422 LHPOTDQCWFJUFP-STQMWFEESA-N 239.363 1.067 30 50 BDEA N#Cc1nccnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 230155220 IXOXDUPYFYWDAC-UMNHJUIQSA-N 244.298 1.718 30 50 BDEA N#CCC(=O)N1CCc2ccccc2C1 5328108 WLRMVYFXUPKXBY-UHFFFAOYSA-N 200.241 1.485 30 50 BDEA CCOc1cc(C#N)ccc1OCC(=O)O 4219194 WJYZBSJPALPIQX-UHFFFAOYSA-N 221.212 1.420 30 50 BDEA in-vitro CC#CC(=O)NCCc1cccc2oc(C)nc12 831847371 JHGUIHVHAHCCDY-UHFFFAOYSA-N 242.278 1.818 30 50 BDEA N#Cc1cccc2cccc(S(=O)(=O)O)c12 3098861 HZSVYDSUGKRFRN-UHFFFAOYSA-N 233.248 1.958 30 50 BDEA OCCC#CCCCO[C@H]1CCCCO1 4973174 CPWNZODBINBEET-GFCCVEGCSA-N 212.289 1.696 30 50 BDEA Cc1cc(C)nc(-n2nc(C)c(C#N)c2N)n1 9303530 CLGMVNIRPDQQQM-UHFFFAOYSA-N 228.259 1.041 30 50 BDEA N#CCCn1cc(Br)cn1 26547491 HXHGHKZQUZNBOG-UHFFFAOYSA-N 200.039 1.559 30 50 BDEA in-vitro C#CCN(CC)C(=O)c1ccc(F)c(C#N)c1 252484591 FZWLVOCMJKEJBA-UHFFFAOYSA-N 230.242 1.793 30 50 BDEA COc1c([N+](=O)[O-])cc(CC#N)cc1[N+](=O)[O-] 169724873 MBJXYTAJMZJBHZ-UHFFFAOYSA-N 237.171 1.578 30 50 BDEA in-vitro N#Cc1cnn(-c2cccc(F)c2)c1N 32010045 QMABEDHYXLYKEL-UHFFFAOYSA-N 202.192 1.465 30 50 BDEA in-vitro N#CCCS(=O)(=O)c1ccc(F)cc1 4243118 LEUZTXMDDQGYQK-UHFFFAOYSA-N 213.233 1.513 30 50 BDEA in-vitro CC#CCn1c(=O)oc2ccc([N+](=O)[O-])cc21 361284809 AJAPCFVQOFUJDM-UHFFFAOYSA-N 232.195 1.526 30 50 BDEA C#C[C@@H](NC(=O)N[C@H]1CCSC1)C(C)C 252479538 BHFRQKPMEIHWQY-VHSXEESVSA-N 226.345 1.449 30 50 BDEA Cc1nc(N2CCC[C@@H]([C@H](C)N)C2)ccc1C#N 261582459 RFPLZISAQWJFKO-GXFFZTMASA-N 244.342 1.825 30 50 BDEA C/N=C(/NC1CCC1)N1CCC[C@H](C)C1 225464299 LWCMJPOJJGHTMZ-JTQLQIEISA-N 209.337 1.846 30 50 BDEA CCCCOC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1O[C@@H]12 254344500 PUSQGAQLNXZHQQ-ILAIQSSSSA-N 210.273 1.753 30 50 BDEA N#C[C@H]1CCC[C@@H](NCCCn2cccn2)C1 170081276 LQCWUNMDNCWZAU-QWHCGFSZSA-N 232.331 1.945 30 50 BDEA COC(=O)c1ccccc1CNC(=O)CC#N 591589535 SDDBGZXXFJOIKX-UHFFFAOYSA-N 232.239 1.003 30 50 BDEA N#Cc1cccc(C[C@H]2CN[C@H](C(=O)O)C2)c1 4241466 MVEGCQJPRBWNLO-NEPJUHHUSA-N 230.267 1.163 30 50 BDEA N#Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 4867378 BXCKPHGJASSAGU-UHFFFAOYSA-N 228.211 1.711 30 50 BDEA Cc1cc(C)nc(/N=C(/N)Nc2cccnc2)n1 54201936 MUQXVMZLRFYBNC-UHFFFAOYSA-N 242.286 1.547 30 50 BDEA N#Cc1ccccc1CS(=O)(=O)NC1CC1 21518888 OVZOAJJIRZSBPC-UHFFFAOYSA-N 236.296 1.140 30 50 BDEA CC(=Nn1cnnc1)c1ccc(O)cc1 239165019 NIMAFFJOGSTDPK-UHFFFAOYSA-N 202.217 1.256 30 50 BDEA Cc1csc[n+]1CC(=O)OC(C)(C)C 253470599 MXDYNMMWBCZVIN-UHFFFAOYSA-N 214.310 1.686 30 50 BDEA C=C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 91691928 SURBGBXZQCEZPR-STQMWFEESA-N 247.294 1.802 30 50 BDEA in-vitro CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C 169746818 SAGPUUKLGWNGOS-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro N#Cc1cccnc1NCC1(n2cccn2)CC1 952993784 RDJCFFADHFENJP-UHFFFAOYSA-N 239.282 1.751 30 50 BDEA C[C@H](C#N)C(=O)NC1CCC(F)(F)CC1 334212756 FTHWCNMXADXZST-SSDOTTSWSA-N 216.231 1.840 30 50 BDEA C[C@@H]1CC(=O)NCCN1Cc1cccc(C#N)c1 371184853 PNEZSWWTGXCHDQ-LLVKDONJSA-N 243.310 1.269 30 50 BDEA C#CCNC(=O)c1ccccc1NC(=O)C=C 2069391541 SJKOPZWFEKIAFM-UHFFFAOYSA-N 228.251 1.174 30 50 BDEA C=C(OC)[C@H](C(=O)OC)[C@@H](O)c1ccccc1 43199167 ZZJKSQURLGQKBV-RYUDHWBXSA-N 236.267 1.669 30 50 BDEA C#CCSC(N)=NN=Cc1ccco1 245239991 JJAYSXDNZNNGAE-UHFFFAOYSA-N 207.258 1.295 30 50 BDEA FC(F)Oc1ccc(/C=N/n2cnnc2)cc1 451422 MJCSGYFPHIQCIN-PJQLUOCWSA-N 238.197 1.762 30 50 BDEA Clc1ccc(/C=N/Nc2nn[nH]n2)cc1 5344372 SZFUMFNPTAQHAI-BJMVGYQFSA-N 222.639 1.299 30 50 BDEA Cc1ccc(O)c(/C=N/n2cnnc2)c1 18192179 KZGOBSYMXOIYOL-WLRTZDKTSA-N 202.217 1.174 30 50 BDEA N#CCN(CC#N)C(=O)c1ccc(F)cc1 29755 RZJHLTTVQYWCKG-UHFFFAOYSA-N 217.203 1.315 30 50 BDEA CCOC(=O)CNc1ccccc1C#N 161854 SAHHQUFVDZOAEH-UHFFFAOYSA-N 204.229 1.533 30 50 BDEA in-vitro NC(N)=N/N=C/c1ccc(Cl)cc1Cl 4371074 WDPPSRUIMSQVFX-YIXHJXPBSA-N 231.086 1.601 30 50 BDEA in-vitro C[C@@H]1CN(c2cc(C#N)ccn2)CCS1 135600516 TUGTVEILRHVERP-SECBINFHSA-N 219.313 1.895 30 50 BDEA [O-][n+]1ccc(/C=N\Nc2ccccc2)cc1 43761438 CGYRVBMTROQYFD-RAXLEYEMSA-N 213.240 1.766 30 50 BDEA N#CCc1c(C(F)(F)F)ccnc1N 238697893 JLTZECXQJZVERV-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA CC(C)c1nc(C(=O)/C=C/c2cnn(C)n2)co1 585135848 FXDMXGFVEVMFJK-SNAWJCMRSA-N 246.270 1.823 30 50 BDEA CCOC(=O)[C@@H](C#N)C(=O)/C=C/c1ccccc1 3086263 CVPFLDSQIIUCJD-BCPZQOPPSA-N 243.262 1.972 30 50 BDEA C#CCN(CC#N)C(=O)c1ccccc1F 225563942 ARNJTNXQOFMDNH-UHFFFAOYSA-N 216.215 1.425 30 50 BDEA C/C(=N\CCNc1ccc(Cl)nc1)NC#N 4110205 MIMCHLFIBBZAKV-UHFFFAOYSA-N 237.694 1.636 30 50 BDEA C[C@H]1SC(N/N=C/c2ccccc2O)=NC1=O 4528721 ZOZGHZDWFKIFMA-LFKKQGMHSA-N 249.295 1.334 30 50 BDEA CC1(C)OB(c2ccc(C#N)cc2N)OC1(C)C 203613401 TZIDVPJAFFCQAI-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA C=C(COc1cccc2c1NC(=O)CO2)C(=O)O 2325860244 ADJSXARGAMJHOI-UHFFFAOYSA-N 249.222 1.037 30 50 BDEA CCOC(=O)ON1C(=O)c2ccccc2C1=O 349008 VXEAWVMTERBHFX-UHFFFAOYSA-N 235.195 1.371 30 50 BDEA N#Cc1cccn1S(=O)(=O)c1ccccc1 396102 XXJCLUNFWADISV-UHFFFAOYSA-N 232.264 1.597 30 50 BDEA C=CCN1CCN(C(=O)c2cccc(F)c2)CC1 20160990 KVBMZLQXUWFXIV-UHFFFAOYSA-N 248.301 1.770 30 50 BDEA C#CCn1c(=N)sc2c(OC)ccc(OC)c21 217428823 FYDSHIHLJCMLAH-UHFFFAOYSA-N 248.307 1.833 30 50 BDEA C=C[C@H](CO)NC(=O)c1cc(C)oc1C 290702169 VYWWTXCWPWTDBJ-SECBINFHSA-N 209.245 1.173 30 50 BDEA N#Cc1c[nH]c2cc(F)c(F)cc2c1=O 19483583 UOZLRZBATVGDHK-UHFFFAOYSA-N 206.151 1.678 30 50 BDEA in-vitro CCC(CC)C(=O)N[C@H](C#N)[C@H]1CCOC1 1875365282 TVYVDFGZWLAXIL-WDEREUQCSA-N 224.304 1.467 30 50 BDEA C[C@]1(F)CCN(c2ccc(C#N)cn2)C1 335915913 RSEGHCXEEXKHLA-NSHDSACASA-N 205.236 1.892 30 50 BDEA C=CCn1c(-c2nonc2N)nc2ccccc21 51535 RMPHMFUQPJQPIV-UHFFFAOYSA-N 241.254 1.855 30 50 BDEA CC(=O)C(=Cc1ccc([N+](=O)[O-])o1)C(C)=O 14906 IFWNPTXNTNCGTO-UHFFFAOYSA-N 223.184 1.749 30 50 BDEA CCOC(=O)C/N=C(/OCC)C(C)C 100736385 AEDOKNSOQOBISE-ZHACJKMWSA-N 201.266 1.641 30 50 BDEA C[C@@H](NC(=O)CC#N)[C@H]1C[C@H]2CC[C@H]1C2 100909091 LFQOMKVFNXQTFL-VPOLOUISSA-N 206.289 1.841 30 50 BDEA C[C@@H](O)[C@@H]1CCN(c2ccc(C#N)nc2)C1 165853491 CGMRLXYKUHAGAO-NXEZZACHSA-N 217.272 1.160 30 50 BDEA C[C@H]1CN(c2cc(C#N)cnn2)C[C@@H](C2CC2)O1 408522877 DPYZEIWDZAMVSM-CABZTGNLSA-N 244.298 1.352 30 50 BDEA Cc1cccc(OCC#CCN2CCOCC2)c1 16623490 PUWKTBYDQLHAMA-UHFFFAOYSA-N 245.322 1.709 30 50 BDEA CC1(C)COB(c2cnccc2Cl)OC1 169746593 PKLGMQGGENJBCK-UHFFFAOYSA-N 225.484 1.503 30 50 BDEA CC#CC(=O)Nc1ccc2c(c1)OCCN2C 847125062 WTLISFYVZNRLGN-UHFFFAOYSA-N 230.267 1.477 30 50 BDEA COc1ccc2c(c1)CCCN(C(=O)[C@H]1CO1)C2 1875372719 LIXZEFIIVXFCGQ-CYBMUJFWSA-N 247.294 1.369 30 50 BDEA C=CCNC(=O)COc1ccc(CC)cc1 4739701 BQUVSFRYOGWIPO-UHFFFAOYSA-N 219.284 1.930 30 50 BDEA N#Cc1ccccc1OCCNC[C@H]1CCCO1 4869861 ZFSUVOBKQKHWDQ-CYBMUJFWSA-N 246.310 1.706 30 50 BDEA C#CCN(C)CCCNCc1ccoc1C 321266510 RKZILXCNHJKARB-UHFFFAOYSA-N 220.316 1.633 30 50 BDEA N#Cc1ccc(NC2CCNCC2)cc1 36301786 CFMWPCOTSHAYHP-UHFFFAOYSA-N 201.273 1.722 30 50 BDEA CCOC(=O)c1ccc2[nH]cc(C#N)c(=O)c2c1 147198852 ILHUVMOSKDCTJO-UHFFFAOYSA-N 242.234 1.576 30 50 BDEA Cc1sc2c(=O)n(C3CC3)nnc2c1C#N 584904585 HAGQHQYEYKJPKN-UHFFFAOYSA-N 232.268 1.368 30 50 BDEA N#Cc1c[nH]ccc1=NO[C@@H](CO)C1CCCC1 1615054721 ARWFBLLWGCPOQO-ZDUSSCGKSA-N 247.298 1.270 30 50 BDEA C=CC(=O)NCCOc1ccc(CC#N)cc1 1875367328 AEDQZPZSJKTXGA-UHFFFAOYSA-N 230.267 1.434 30 50 BDEA N#Cc1cnc(N2CCc3ncccc3C2)cn1 364288858 IVDFQZFREFGFAD-UHFFFAOYSA-N 237.266 1.306 30 50 BDEA COCC(=O)Nc1ccc(CC#N)cc1 118159 OLOGDVMOAJTSRV-UHFFFAOYSA-N 204.229 1.338 30 50 BDEA C#CCCC(=O)N1C[C@H](C)OC(C)(C)C1 225473099 IAAHMDKTHZOTDQ-JTQLQIEISA-N 209.289 1.426 30 50 BDEA C#Cc1cccc(C(=O)Nc2cc(C)n[nH]2)c1 20600591 IBGXZXBHWNTROD-UHFFFAOYSA-N 225.251 1.952 30 50 BDEA CC1(C)C[C@]1(C#N)NC(=O)c1cncc(O)c1 292491496 OIZAJPNAWLVVNH-GFCCVEGCSA-N 231.255 1.209 30 50 BDEA Cn1ncc(C#N)c1N1CCc2ccccc2C1 591593584 LYMQAZFOHMTWTA-UHFFFAOYSA-N 238.294 1.854 30 50 BDEA OCC/N=C(/S)NC1CCCCC1 13879224 OSSNZOUVMDUFJA-UHFFFAOYSA-N 202.323 1.187 30 50 BDEA C#CCNC(=O)c1cc(OC)c(OC)c(OC)c1 18891251 JPFHIFYHKFGPSY-UHFFFAOYSA-N 249.266 1.075 30 50 BDEA CC1(C)OB(c2cc(N)cc(F)c2)OC1(C)C 201073989 VQRPRRMKMAREJT-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA CC#CC(=O)N[C@H](CCC(C)(C)C)c1nc[nH]n1 1875376539 AGVWRMXVPYNQPP-SNVBAGLBSA-N 248.330 1.812 30 50 BDEA COCCO[C@H]1CCN(c2ccnc(C#N)c2)C1 286834764 ZLWGVWDKPFQJQI-ZDUSSCGKSA-N 247.298 1.195 30 50 BDEA C=CCNC(=O)Cn1c(=O)sc2ccccc21 2496813 FNJXHJNSHOLIRU-UHFFFAOYSA-N 248.307 1.365 30 50 BDEA CCC(C#N)(CC)C(=O)N[C@@H](CCO)C(C)C 231084410 YMCIJASRDSQYJQ-NSHDSACASA-N 240.347 1.840 30 50 BDEA CC(C)[C@H](CO)C/N=C(/O)c1ccoc1 330666254 AMCYHJFYEMRPGW-JTQLQIEISA-N 211.261 1.849 30 50 BDEA C=CCN1C(=O)[C@H](Cc2ccccc2)NC1=S 308385 RAXMHIGASBNFRN-NSHDSACASA-N 246.335 1.500 30 50 BDEA Cc1cc(=O)nc(C2=C(O)CC(C)(C)CC2=O)[nH]1 3160497 NHWOPHWFZGNJDW-UHFFFAOYSA-N 248.282 1.737 30 50 BDEA CCc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2 8686095 NQIAHIYKUSXOLP-UHFFFAOYSA-N 232.283 1.660 30 50 BDEA C#CCN(CC#N)C(=O)COc1ccccc1F 225601627 IAHCCFBHOMLCES-UHFFFAOYSA-N 246.241 1.190 30 50 BDEA CC#CC(=O)NCc1c(O)ccc2c1CCCC2 283225836 OKPZDJNGJVJGTB-UHFFFAOYSA-N 243.306 1.911 30 50 BDEA CC1(C)OB(c2ccc(O)c(C=O)c2)OC1(C)C 196172390 FGSHRYLDHURBJL-UHFFFAOYSA-N 248.087 1.504 30 50 BDEA C#CCN(C)C(=O)c1cn(C)c2ccccc12 191002181 PBLUJNYCBCTZKR-UHFFFAOYSA-N 226.279 1.884 30 50 BDEA COc1ccc(/C=N/c2nnc[nH]2)cc1OC 18059300 YBFZQKPVIITBFH-WUXMJOGZSA-N 232.243 1.573 30 50 BDEA CC(=O)Nc1cccc(-c2nccnc2C#N)c1 65527383 SSPZKAMFDXEHSX-UHFFFAOYSA-N 238.250 1.974 30 50 BDEA O=S(=O)(CC1CCC1)OCC(F)(F)F 120330372 DPUDEJYALNVKKS-UHFFFAOYSA-N 232.223 1.695 30 50 BDEA CC1(C)OB(c2nccs2)OC1(C)C 169811646 RLBBSGRLQOBNCN-UHFFFAOYSA-N 211.095 1.442 30 50 BDEA in-vitro COC(=O)c1cccc(NCC[C@@H](C)O)c1C#N 170603434 KLSDWLUVAUVEIX-SECBINFHSA-N 248.282 1.528 30 50 BDEA N#CCNC(=O)c1cnccc1C(F)(F)F 13827887 RLQJEEJISHYWON-UHFFFAOYSA-N 229.161 1.354 30 50 BDEA in-vitro C=CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1875375111 RGHBQWDZICABHZ-LBPRGKRZSA-N 230.267 1.236 30 50 BDEA COc1ccc(C2=CC(=O)C=CC2=O)cc1 95325 LMZUGHSRDZORTH-UHFFFAOYSA-N 214.220 1.787 30 50 BDEA C=C[C@H](C)NC(=O)c1ccnc(C2CC2)n1 331429111 GCQQMBRNVRWFHZ-QMMMGPOBSA-N 217.272 1.658 30 50 BDEA CCOC(=O)[C@H](C#N)c1cc(OC)cc(OC)c1 35287630 BQUAJJHYTZRNHV-GFCCVEGCSA-N 249.266 1.874 30 50 BDEA CC(=NO)[C@@H]1C(=O)N(C)c2ccccc21 257357443 OBTVLNWLFNLIHE-JTQLQIEISA-N 204.229 1.597 30 50 BDEA COC(=O)c1c(C#N)ccc(OC)c1F 95803918 DUGMFBQBMPPEBQ-UHFFFAOYSA-N 209.176 1.493 30 50 BDEA in-vitro C#CCNC(=O)CN1CCC[C@H]2CCCC[C@H]21 216282540 BSQWOAIKHSTTBD-CHWSQXEVSA-N 234.343 1.390 30 50 BDEA N#Cc1ccc(N[C@H]2CC[C@@H]2O)c(F)c1 707339660 KMVOTLSJYTYVTA-QWRGUYRKSA-N 206.220 1.633 30 50 BDEA CC(=O)[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 874435283 QOUVAVJDRVZFDN-LLVKDONJSA-N 232.283 1.952 30 50 BDEA COc1ccc(C2=CC(=O)C=CC2=O)cc1OC 101448203 XUMKXLKRPISMTL-UHFFFAOYSA-N 244.246 1.795 30 50 BDEA CC1(C)OB(/C=C2/CCOC2)OC1(C)C 307062266 NEISUWCVGVZLCQ-CLFYSBASSA-N 210.082 1.965 30 50 BDEA C=C/C(O)=N/Cc1cccc(N2CCOCC2)n1 328598123 KCJNYEDZZFFEES-UHFFFAOYSA-N 247.298 1.561 30 50 BDEA N#Cc1cc2c(=O)c3ccccc3oc2nc1N 19202566 OITYIVNLFRQWRA-UHFFFAOYSA-N 237.218 1.795 30 50 BDEA O=CC1(c2ccccc2Br)COC1 169725994 VJZQTROHUOMDPV-UHFFFAOYSA-N 241.084 1.916 30 50 BDEA Cn1ncc(C#N)c1-c1cccc(CCO)c1 1875339891 BVMOGMHAVJJKKG-UHFFFAOYSA-N 227.267 1.494 30 50 BDEA C(CCCOC[C@@H]1CO1)CCOC[C@H]1CO1 5191958 WTYYGFLRBWMFRY-TXEJJXNPSA-N 230.304 1.378 30 50 BDEA in-vitro C=CCN1CCN(C(=O)c2ccoc2C)CC1 55060396 KJQPBPJZHSASNQ-UHFFFAOYSA-N 234.299 1.532 30 50 BDEA CC(C)C[C@H]1CC(=O)C=C(Nc2nnn[nH]2)C1 6563836 UUDUKBFDNRHTKG-MRVPVSSYSA-N 235.291 1.521 30 50 BDEA COc1ccc2c(c1)CC/C(=C\C(=O)O)C2=O 34432386 MAHPIJDPKFYPDB-VQHVLOKHSA-N 232.235 1.835 30 50 BDEA CN(C[C@@H]1CCCOC1)c1c(C#N)cnn1C 585098425 SIFJXFHPHUDIDY-JTQLQIEISA-N 234.303 1.155 30 50 BDEA C/N=C1/S[C@@H](Cc2ccccc2)[C@H](O)N1C 4759816 SQWBXSNKPBAHFQ-UWDXDTEWSA-N 236.340 1.581 30 50 BDEA N=C(N)N/N=C/c1ccsc1C(F)(F)F 1615623191 VMFZXUQCFWGERX-QLKAYGNNSA-N 236.222 1.584 30 50 BDEA Cc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2 13555535 WQRQZMQBLXFWRN-UHFFFAOYSA-N 218.256 1.406 30 50 BDEA CC(C)[C@H]1OCC[C@@H]1CN/C(O)=N/CC1CC1 328618759 FAWRZOAPSVDJBK-VXGBXAGGSA-N 240.347 1.961 30 50 BDEA Cc1nc[nH]c1C/N=C(/O)[C@H]1CCCO1 328755361 FFTAYJWPJWZFPG-SECBINFHSA-N 209.249 1.354 30 50 BDEA O=C1C=CC(=NOC(=O)c2ccccc2)C=C1 433506 AEWOWFIVAJKBSE-UHFFFAOYSA-N 227.219 1.895 30 50 BDEA C=CCNC(=O)C(=O)N[C@H](C)c1ccccc1 2897684 GWJRRQPDJPBJLY-SNVBAGLBSA-N 232.283 1.166 30 50 BDEA COc1ccc([C@]2(C)O[C@@H]2C#N)cc1F 307081966 PPBGTQTXFMZXAE-MNOVXSKESA-N 207.204 1.972 30 50 BDEA N#Cc1cnn(CC(=O)c2ccc(F)cc2)c1 310083888 FMXMBDUOUKLNMI-UHFFFAOYSA-N 229.214 1.777 30 50 BDEA C#CCNC(=O)c1cc(C(=O)CC(C)C)c[nH]1 5522234 ABBOUHVNWJRAOV-UHFFFAOYSA-N 232.283 1.607 30 50 BDEA OCC(F)(F)C(F)(F)C(F)(F)F 1690278 WXJFKAZDSQLPBX-UHFFFAOYSA-N 200.053 1.812 30 50 BDEA in-vitro N#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1 2382350 UHCGSMMNICMDIX-UHFFFAOYSA-N 235.186 1.852 30 50 BDEA in-vitro CCNC(=S)N/N=C/c1ccc(OC)cc1 5024707 XBWJYTWTRKDVIO-MDWZMJQESA-N 237.328 1.513 30 50 BDEA CC#CC(=O)NCC[C@H]1CCCC1(F)F 914417722 UBZZHHMAGIRMSU-SECBINFHSA-N 215.243 1.951 30 50 BDEA Oc1ccccc1/C=N\CCCN1CCOCC1 19861703 MBZHORGUJVHIJX-QINSGFPZSA-N 248.326 1.533 30 50 BDEA N#Cc1cnc(N[C@H]2C[C@H]3CC[C@H]2C3)cn1 250767062 LBWLRYJCLYTPPN-QXEWZRGKSA-N 214.272 1.949 30 50 BDEA C=CCN(CC(=O)O)Cc1sncc1C 2325789219 FEUAWIFNKSTUCS-UHFFFAOYSA-N 226.301 1.524 30 50 BDEA CC#CC(=O)N[C@H](C#N)Cc1ccccc1 1875252590 NCROFSMLCPKSRS-LBPRGKRZSA-N 212.252 1.261 30 50 BDEA C=CC(=O)N1CCC2(CC1)CC(=O)C=CO2 899226679 WTUMPFKMEIGCGZ-UHFFFAOYSA-N 221.256 1.037 30 50 BDEA CC(=O)Oc1ccc(OC(C)=O)c(C#N)c1C#N 57574 VXDCGBVAZDYTFK-UHFFFAOYSA-N 244.206 1.281 30 50 BDEA in-vitro Oc1ccc(/C=N/n2cn[nH]c2=S)cc1 6557368 GYCBGGFOSWMRDZ-VZUCSPMQSA-N 220.257 1.528 30 50 BDEA C[C@H](Oc1cccnc1)C(=O)/C=C/N(C)C 8730206 SCXDZZBYICSCAT-PCGIRMHASA-N 220.272 1.493 30 50 BDEA CC1(C)OB(c2cccc(N)c2N)OC1(C)C 170003279 YIPXXWWEXMOZPZ-UHFFFAOYSA-N 234.108 1.150 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)sn1 205226449 DNORPNGGHRMZQH-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA C#C[C@@H](CO)NC(=O)C1(CC=C)CCCC1 854778113 RNAZJPXBHBRDRK-NSHDSACASA-N 221.300 1.233 30 50 BDEA Cc1[nH]c2ccc(C#N)cc2c1CC(=O)O 12647758 PCXWGSGFUMSJBP-UHFFFAOYSA-N 214.224 1.975 30 50 BDEA in-vitro CC[C@H](CC#N)NC(=O)c1ccc(CN(C)C)o1 952881654 MGXIOWNGZHLODJ-SNVBAGLBSA-N 249.314 1.763 30 50 BDEA C=CC(=O)Nc1ccc2c(c1)N(CC#N)CC2 1775994408 IYGYTWUZPDHKBG-UHFFFAOYSA-N 227.267 1.697 30 50 BDEA N#Cc1nc(-c2ccccc2)cnc1NC=O 336388 YOLNZYPKYVOTDK-UHFFFAOYSA-N 224.223 1.584 30 50 BDEA CCC1=[N+]([O-])[C@@](C)(C(C)=O)N(O)C1(C)C 7974775 SBVMGWKYARZAAX-SNVBAGLBSA-N 214.265 1.136 30 50 BDEA CN1CCN(CCOc2ccccc2C#N)CC1 20653565 PEQMHRDGNWBAQK-UHFFFAOYSA-N 245.326 1.184 30 50 BDEA COC(OC)c1ccc(F)c(/C(N)=N/O)c1 74941341 UNSHVWMXZMITIT-UHFFFAOYSA-N 228.223 1.212 30 50 BDEA N#Cc1c(Cn2ccnn2)cn2ccccc12 128022774 NMJUAYYZEMMBRG-UHFFFAOYSA-N 223.239 1.451 30 50 BDEA CC1(C)OB(c2ccc(N)c(C=O)c2)OC1(C)C 222934988 JAPHBZZZSMLYAU-UHFFFAOYSA-N 247.103 1.381 30 50 BDEA N#Cc1nccn1CC#Cc1ccc(F)cc1 179874959 DHNZENJNRLEDRX-UHFFFAOYSA-N 225.226 1.946 30 50 BDEA C[C@H]1CN(c2ccc(C#N)nn2)C[C@H](C2CC2)O1 408515355 YLQGTSAZDQRXTQ-JOYOIKCWSA-N 244.298 1.352 30 50 BDEA N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CO1 1875372512 HHFIOXOPXWQFRN-NEPJUHHUSA-N 228.251 1.061 30 50 BDEA Cc1cc(C)c(C#N)c(SCC(=O)O)n1 1792381 PPAQOKSJTBXIOC-UHFFFAOYSA-N 222.269 1.747 30 50 BDEA C#CCN(C)C(=O)c1cc2ccccn2c1 225636721 UPMBRUGNKVWAKL-UHFFFAOYSA-N 212.252 1.645 30 50 BDEA C=CCOC(=O)NCCNC(=O)OC(C)(C)C 115726235 VIEASCGTWRBLKC-UHFFFAOYSA-N 244.291 1.423 30 50 BDEA C=CCn1c(Cc2ccccc2)n[nH]c1=O 65465031 XXZANWOBMGMONF-UHFFFAOYSA-N 215.256 1.348 30 50 BDEA O=C(O/N=C/c1cccc([N+](=O)[O-])c1)C1CC1 1386762 IPKWZAYYRGUZMQ-KPKJPENVSA-N 234.211 1.882 30 50 BDEA N#CCc1cc(O)nc(C(F)(F)F)c1 238684327 HDYFOWTTYABCHP-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA CC#CCNc1ccc(C(N)=O)c(C)c1 182305879 OPUDQVNHEZLSMR-UHFFFAOYSA-N 202.257 1.529 30 50 BDEA Cc1cc(O)nc(NN=Cc2ccccc2O)n1 254697555 XVDNTAIBZHGIAL-UHFFFAOYSA-N 244.254 1.642 30 50 BDEA CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 169743749 BKLGYJWLZWMIDO-UHFFFAOYSA-N 236.124 1.592 30 50 BDEA in-vitro Cc1ccc2nc(N=C(N)N)nc(C)c2c1 13556218 DXEIEBNCIPTQFP-UHFFFAOYSA-N 215.260 1.152 30 50 BDEA Cc1ocnc1C(=O)N1CCC[C@@](C)(C#N)C1 584894894 WFMWBDLWUJPYPT-LBPRGKRZSA-N 233.271 1.749 30 50 BDEA N/C(=N/CC1CC1)NCCc1ccccc1 240465804 GAIPWQDDZXZIGW-UHFFFAOYSA-N 217.316 1.543 30 50 BDEA N#Cc1ccc(NC[C@@H]2CCCO2)cn1 131876945 QTWWCXICJJZBHY-NSHDSACASA-N 203.245 1.544 30 50 BDEA C[C@H]1CN([C@H](C#N)c2ccc(O)cc2)CCO1 238950481 YJEOMLNLYVWJAQ-GXFFZTMASA-N 232.283 1.678 30 50 BDEA C[C@@]1(CO)CCC[C@@H]1Nc1ccc(C#N)nc1 195535360 QOZJNERDZMRYQU-STQMWFEESA-N 231.299 1.916 30 50 BDEA COc1cc(C#CCC2CCCC2)nc(N)n1 1506418299 RWXUHOYEPSICPE-UHFFFAOYSA-N 231.299 1.999 30 50 BDEA CC1=C2C=C[C@@H]3C[C@H](O)[C@H](O)C[C@@H]3[C@@H]2CCC1=O 4759975 GFJXYOAERZJHJG-HTZLXXLYSA-N 248.322 1.600 30 50 BDEA O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CO1 1875372796 MOJHYONHPOXZGX-AAEUAGOBSA-N 231.295 1.622 30 50 BDEA CC1(C)OB(c2cnc3cncn3c2)OC1(C)C 1775955178 BJIIBYDFEVSIGV-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA C=C(C)[C@@](C)(O)C#CCN1CCCCC1 296014 XRXZQXGYCABDAM-ZDUSSCGKSA-N 207.317 1.803 30 50 BDEA Cc1cc(C)c2nc(N=C(N)N)nc(C)c2c1 4178457 KMCATZSTDZKZGX-UHFFFAOYSA-N 229.287 1.460 30 50 BDEA O=C(O)CCCCCCC1=C[C@H](O)CC1=O 4977726 IXOFUWJRSYPKSX-JTQLQIEISA-N 226.272 1.672 30 50 BDEA O/N=C1\CCCc2nn(-c3ccccc3)nc21 100498788 OBUYPANMZNFRGC-RVDMUPIBSA-N 228.255 1.782 30 50 BDEA C=CCNc1cnn(CC(C)=O)c(=O)c1Cl 4042711 FZXDRWCPUGOMKQ-UHFFFAOYSA-N 241.678 1.084 30 50 BDEA C#CC(C)(C)OC[C@@H](O)CN1CCCC[C@@H]1C 35052909 PPWHBFZZVWTMPM-STQMWFEESA-N 239.359 1.650 30 50 BDEA COC(OC)c1ccc(C#N)c(S)n1 123444 LUCKKEJFFWYHFJ-UHFFFAOYSA-N 210.258 1.533 30 50 BDEA in-vitro C=CCNC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 5029990 XUXGLCYDDIKPIP-LBPRGKRZSA-N 248.257 1.621 30 50 BDEA CC#CC(=O)N[C@H](C)COC(F)(F)F 1875309002 MBTMQUANGHRERL-ZCFIWIBFSA-N 209.167 1.051 30 50 BDEA N#CCCN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337273395 CRSLVKIMANTPJJ-UPJWGTAASA-N 222.332 1.916 30 50 BDEA C=CCN1CCc2nc(N)sc2CC1 6644 DHSSDEDRBUKTQY-UHFFFAOYSA-N 209.318 1.312 30 50 BDEA in-man N#Cc1ccc(C(=O)NO[C@@H]2CCCCO2)[nH]1 120972434 HWRUQYQKKMAZCY-SNVBAGLBSA-N 235.243 1.074 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)nc1 241837488 SKNSMTUUBFRIRI-ZCURGHERSA-N 241.294 1.159 30 50 BDEA N#CCC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 335159671 QSJWIKAEKDJHQV-CMPLNLGQSA-N 218.231 1.654 30 50 BDEA C#CCNS(=O)(=O)c1ccc(SC)cc1 170602751 MBLJLHOUYMSCKD-UHFFFAOYSA-N 241.337 1.320 30 50 BDEA Cn1nc(C(F)(F)F)c(C#N)c1Cl 1387990 KVYPAFVQFQYTKD-UHFFFAOYSA-N 209.558 1.964 30 50 BDEA in-vitro CCC1=NN(C(=O)CC#N)[C@](O)(C(F)(F)F)C1 4487010 UGNOUERJZGHMBN-MRVPVSSYSA-N 249.192 1.149 30 50 BDEA C=C1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 12359474 ULLGRIBXGPATMA-QMMMGPOBSA-N 227.260 1.637 30 50 BDEA in-vitro O/C(=N/c1nnn[nH]1)c1ccccc1Cl 33281599 UNQCWBFARCCWLR-UHFFFAOYSA-N 223.623 1.489 30 50 BDEA C#CC(C)(C)N1CC[C@H](O)[C@@H]2CCC[C@@H]21 3194994 ABOWUBBXNPKAPQ-WOPDTQHZSA-N 207.317 1.634 30 50 BDEA CC#CC(=O)NCCc1nc(C)cs1 801117206 BEXZDVZYRICARX-UHFFFAOYSA-N 208.286 1.134 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=O)C1 100505200 PUTOENHGHDTSSY-LDYMZIIASA-N 211.261 1.442 30 50 BDEA in-vitro COC(=O)C1=C(C)N/C(=C/c2ccccc2)C1=O 4094859 VUYBMTBNSHKLGG-DHZHZOJOSA-N 243.262 1.647 30 50 BDEA CC#CC(=O)N[C@H](C#N)c1ccccc1OC 1875252596 ZWIJQQZUOYOXKF-LLVKDONJSA-N 228.251 1.399 30 50 BDEA CC#CC(=O)NCc1nccc(C)c1F 1875369952 SJRHHBCBTOAEGC-UHFFFAOYSA-N 206.220 1.169 30 50 BDEA COC(=O)[C@H]1C(=O)C=C(N2CCCC2)C[C@@H]1C 5375962 LWAWNYQOTFYULG-JOYOIKCWSA-N 237.299 1.364 30 50 BDEA Cc1cc(/C=N/n2cnnc2)c(C)n1C 4739002 XBTSVNLLCITILK-WLRTZDKTSA-N 203.249 1.116 30 50 BDEA C=CCOC(=O)c1ccc([N+](=O)[O-])cc1 32166150 FNAOSVAQWXBRLK-UHFFFAOYSA-N 207.185 1.938 30 50 BDEA CN(CCCC=O)C(=O)OC(C)(C)C 34462676 VSKKUZCPADUNJU-UHFFFAOYSA-N 201.266 1.832 30 50 BDEA in-vitro CC(C)(C)OC(=O)C(=O)Nc1ccc(C#N)cc1 258889742 FKKDSALFHOLQNR-UHFFFAOYSA-N 246.266 1.838 30 50 BDEA Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1 169951770 SYEVQHAWWSEMRN-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA in-vitro CC[C@@H](CC#N)NC(=O)Cc1ccc(C)nc1 170595491 ZUDHILQSEXMLCH-LBPRGKRZSA-N 231.299 1.741 30 50 BDEA c1ccc(C/N=C2/NC[C@H]3CSCCN23)cc1 1775997384 CWIFXLVFXIZUFB-LBPRGKRZSA-N 247.367 1.563 30 50 BDEA CC1CCC2(CC1)[C@@H](C#N)C(=O)NC(=O)[C@H]2C#N 15922291 SXEQKBZCLSQTLA-PTNFSGFOSA-N 245.282 1.119 30 50 BDEA CC#CC(=O)NCCc1ccn(C2CCCC2)n1 1875377271 WRKWESFGPFCGCM-UHFFFAOYSA-N 245.326 1.680 30 50 BDEA N#Cc1ccc(NCC2CCSCC2)nn1 309519015 AWCQCCGBSUVOHZ-UHFFFAOYSA-N 234.328 1.903 30 50 BDEA COC(=O)CC(=O)c1ccc(C#N)cc1 2575882 JLWWAGHOXGSRRT-UHFFFAOYSA-N 203.197 1.304 30 50 BDEA CNC(=O)O/N=C(/C[S@@](C)=O)C(C)(C)C 25721551 NLMRMVVMKCKWFL-QARUFBMTSA-N 234.321 1.123 30 50 BDEA C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 252452538 NRNMEMRVIBJUGY-BXUZGUMPSA-N 249.358 1.527 30 50 BDEA N/C(=N\O)c1ccc2nc(-c3ccco3)[nH]c2c1 219037588 BKNPJBIMJIGXBM-UHFFFAOYSA-N 242.238 1.917 30 50 BDEA CC1(C)OB(c2ccnc(C#N)c2)OC1(C)C 169747335 SARWEPUHGNIVNJ-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro Cc1nc(F)ccc1B1OC(C)(C)C(C)(C)O1 169952167 BNXMLGBCFFOIQG-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA in-vitro CC1=NNC(=O)/C1=N\Nc1ccc(C)cc1C 100045332 UUPJRAGGAYKNCR-UHFFFAOYSA-N 230.271 1.577 30 50 BDEA CN/C(N)=N/Cc1c(C)oc2ccccc12 184815739 VIXHYKPFZNPRIQ-UHFFFAOYSA-N 217.272 1.775 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C=O)C1 216161973 ZLATZYJENAGYJD-JOYOIKCWSA-N 225.288 1.832 30 50 BDEA C=C[C@@H](C)OC(=O)c1cnn(C)c1-n1cccc1 187510926 BFTLSMAYIUBEAX-SNVBAGLBSA-N 245.282 1.942 30 50 BDEA N/C(=N\O)c1ccc(C(F)(F)F)nc1 15445959 VGHPKSQSZUDQBX-UHFFFAOYSA-N 205.139 1.195 30 50 BDEA in-vitro CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C/C2=N\N 12377853 RHFYQGSVOPZKPI-COCJPQGRSA-N 210.277 1.602 30 50 BDEA CC(C)(C)CC(=O)O/N=C(\N)c1cccnc1 4351543 GOURMOJARBUSFN-UHFFFAOYSA-N 235.287 1.681 30 50 BDEA C=C[C@@]1(C=O)COCCN1C(=O)OC(C)(C)C 1857782230 XCDSCCUFSRAPRY-GFCCVEGCSA-N 241.287 1.377 30 50 BDEA c1cc(OC[C@@H]2CO2)cc(-n2ccnn2)c1 1875379077 MRKREGNLSXXVDZ-LLVKDONJSA-N 217.228 1.045 30 50 BDEA C=C(COc1ccc(C(=O)NC)cc1)C(=O)O 2325860702 QCNYBTNTQVWUNA-UHFFFAOYSA-N 235.239 1.066 30 50 BDEA OC1=NC[C@@H](/N=C(/O)c2ocnc2C2CC2)C1 329667175 LGRPSCFHXJYLSB-ZETCQYMHSA-N 235.243 1.585 30 50 BDEA Cc1nsc(N(C)C[C@H](C)C(=O)O)c1C#N 263561068 RNJWHQWKRSHJJT-LURJTMIESA-N 239.300 1.480 30 50 BDEA CC#CC(=O)NCc1cc(O)ccc1Cl 1644554391 FCLKHIFKLHHAEB-UHFFFAOYSA-N 223.659 1.685 30 50 BDEA CC1(C)OB(c2ncn3c2CCCC3)OC1(C)C 1875389973 AXTDIXMXNCMEHF-UHFFFAOYSA-N 248.135 1.519 30 50 BDEA CC#CC(=O)N[C@@H]1[C@@H](C#N)CCC12CCOCC2 1875367692 FHEJHWFQYXYEQN-DGCLKSJQSA-N 246.310 1.225 30 50 BDEA CC(C)(C#CC(=O)O)NC(=O)OC(C)(C)C 199782764 MASDBJOBJUMOTH-UHFFFAOYSA-N 227.260 1.378 30 50 BDEA C#C[C@H](N[C@@H]1CC[C@H](C)C1)[C@H]1CCCO1 225327007 VFBFWHCAKXKXKZ-QNWHQSFQSA-N 207.317 1.945 30 50 BDEA COc1ccc(/C(C)=N/OCC(=O)O)cc1 12362704 DAWDYFTXVQFRME-XYOKQWHBSA-N 223.228 1.520 30 50 BDEA N#C[C@H](/C=C/c1ccccc1)N1CCOCC1 19201962 JMNIJLJLTJRWIM-UZYOAWRESA-N 228.295 1.924 30 50 BDEA COc1cncc(B2OC(C)(C)C(C)(C)O2)c1 169747076 HENXUFOAGXNWKH-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA CC#CC(=O)NC1CC(CC(F)(F)F)C1 1875370209 GDMVVFZGUCMLHJ-UHFFFAOYSA-N 219.206 1.857 30 50 BDEA C=CCNS(=O)(=O)Cc1ccccc1Cl 2491773 AYJHIAGSOMIIGC-UHFFFAOYSA-N 245.731 1.945 30 50 BDEA C=C(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2560846 YHWOMLAFEJVSSA-QMMMGPOBSA-N 229.276 1.931 30 50 BDEA C#CCn1c(CN(C)C(C)=O)nc2ccccc21 9250275 PDVZBBCKNOOXFS-UHFFFAOYSA-N 241.294 1.648 30 50 BDEA CC#CCNC(=O)Nc1cc(CC)nn1C 189983531 PXQKIBDIXDDMDH-UHFFFAOYSA-N 220.276 1.127 30 50 BDEA CC(C)c1nc(C#N)c(N2CCNCC2)o1 169795015 AIKZXHGTJPYHHB-UHFFFAOYSA-N 220.276 1.079 30 50 BDEA O=C([C@H]1CO1)N1CC[C@@H]1c1cccc(F)c1 1875373325 YOCKVEIHGRZDIF-GHMZBOCLSA-N 221.231 1.498 30 50 BDEA Cc1ccc(N2CCN(C(=O)[C@@H]3CO3)CC2)cc1 1875372434 GCKPDSQZLOIDOI-ZDUSSCGKSA-N 246.310 1.042 30 50 BDEA c1ccc(CN=C2N[C@H]3CCC[C@@H]3N2)cc1 1775994029 PZBBXEHKFITWLH-RYUDHWBXSA-N 215.300 1.657 30 50 BDEA C=CCC1(O)CN(c2cc(C)c([N+](=O)[O-])cn2)C1 720927517 DZMIPFMKZIUWLJ-UHFFFAOYSA-N 249.270 1.425 30 50 BDEA CN1CC/C(=N\O)[C@@H](C2(O)CCCCC2)C1 4760194 AGRSMSSOUFKBIQ-GYXQTMOZSA-N 226.320 1.464 30 50 BDEA C#CCN(C)[C@H](C(=O)O)c1ccc(F)c(C)c1 55358967 TVZHHMGIGBJRME-LBPRGKRZSA-N 235.258 1.825 30 50 BDEA C#CCN1CCC([C@H]2CCCOC2)CC1 371648009 VUCAKINZGUXVAH-ZDUSSCGKSA-N 207.317 1.758 30 50 BDEA Cc1nsc(N(C)CC(C)(C)O)c1C#N 283709965 DSPNMYVMBABARM-UHFFFAOYSA-N 225.317 1.530 30 50 BDEA C[C@H]1CCN(c2cc(C#N)ccn2)CC[S@]1=O 287884969 UQEIFKCHGQDDHW-DYZYQPBXSA-N 249.339 1.301 30 50 BDEA CC[C@H](C#N)NC(=O)Cc1ccc2c(c1)CCO2 263806164 LZUUMEQEVKFKLE-GFCCVEGCSA-N 244.294 1.582 30 50 BDEA N#Cc1cccc(-c2cnc(C(=O)O)nc2)c1 675069597 JBHIQBMRQMGVAH-UHFFFAOYSA-N 225.207 1.713 30 50 BDEA CC[C@H](CC#N)NC(=O)C1SCCCS1 585087315 DMPOOKAOCZWJLV-MRVPVSSYSA-N 244.385 1.991 30 50 BDEA CC1(C)OB(c2ccccc2C(N)=O)OC1(C)C 169993771 SDXKLPVDOLDOOT-UHFFFAOYSA-N 247.103 1.085 30 50 BDEA O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CO1 1875372337 DBBCIMMNKPFMLA-VXGBXAGGSA-N 217.268 1.579 30 50 BDEA N#C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCOC1 1875365268 GJRNZLOVOQZION-NEPJUHHUSA-N 236.315 1.612 30 50 BDEA N#CCCNC(=O)c1cccc([N+](=O)[O-])c1 2496274 MWQSMDVYOFGWRA-UHFFFAOYSA-N 219.200 1.238 30 50 BDEA O=C1C=C[C@@]23CC=CC(=O)[C@@]2(CC=CC3=O)C1 101051860 RBQUNVQDXTWFMG-ZIAGYGMSSA-N 228.247 1.546 30 50 BDEA C=C[C@H]1O[C@H](c2ccccc2)OC[C@H]1O 43763200 MFZPVVWDHKXMOL-IJLUTSLNSA-N 206.241 1.648 30 50 BDEA N#Cc1ncccc1N1CCC[C@H]1CF 292758965 KFMMGAQVACQWBV-VIFPVBQESA-N 205.236 1.892 30 50 BDEA C#CCOCCONC(=O)OC(C)(C)C 575419716 OZSAQUGQZCPQSI-UHFFFAOYSA-N 215.249 1.093 30 50 BDEA CC1(C)OB(c2ccnc(F)c2)OC1(C)C 169743528 PCLMNCBIXQQRMB-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro Cc1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 197952680 WPLDVCFODPKVKF-UHFFFAOYSA-N 207.082 1.622 30 50 BDEA Cc1ccccc1NC(=S)[C@H](C#N)C(N)=O 2785573 NRHNNRIGAAUEQL-MRVPVSSYSA-N 233.296 1.359 30 50 BDEA C=CCNc1nc(N)n(-c2ccccc2)n1 4725644 CXGQPRRILCDYFF-UHFFFAOYSA-N 215.260 1.447 30 50 BDEA C=CCOc1cccc(NS(C)(=O)=O)c1 9356053 VVGRADKPFGHIFA-UHFFFAOYSA-N 227.285 1.623 30 50 BDEA Cc1ccc(N/C(N)=N\CCCN(C)C)cc1C 252569098 VZDWZULCOQVYCU-UHFFFAOYSA-N 248.374 1.982 30 50 BDEA CC(C)(C)OC(=O)N1CCC(C#CCO)CC1 144993479 FUIPHCXERBVLBP-UHFFFAOYSA-N 239.315 1.629 30 50 BDEA COC(=O)[C@@H]1CCCN1Cc1ccc(C#N)cn1 567824602 BWSKEZRZWHZTPL-LBPRGKRZSA-N 245.282 1.091 30 50 BDEA O=C(C#Cc1ccccc1)NC[C@H]1CCSC1 279455112 FUBCCPGDGJHNJK-CYBMUJFWSA-N 245.347 1.907 30 50 BDEA COc1cc(/C=N/O)c([N+](=O)[O-])cc1OC 31949 CRQFTYUZLLSSDF-BJMVGYQFSA-N 226.188 1.420 30 50 BDEA CCOc1cccc2c(C)nc(N=C(N)N)nc12 19314134 NNFBJZLFJMBVGQ-UHFFFAOYSA-N 245.286 1.242 30 50 BDEA biogenic,in-vivo CC1(C)OB(c2cc(C=O)ccc2O)OC1(C)C 206122715 OKJQVOFTWMGSCJ-UHFFFAOYSA-N 248.087 1.504 30 50 BDEA COc1ccccc1C(C)(C)CNC(=O)[C@@H]1CO1 1875372686 KTOZVFKGGODPCJ-LBPRGKRZSA-N 249.310 1.488 30 50 BDEA CN(C[C@H]1CCCCN1C)c1cc(C#N)ccn1 584895256 DRRBGWYKXVBDBM-CYBMUJFWSA-N 244.342 1.874 30 50 BDEA C=CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1531953 ZVTFRRVBMAUIQW-QWHCGFSZSA-N 244.338 1.844 30 50 BDEA biogenic,in-vitro C=CCNCc1ccc(OC)c(OC)c1 2842282 PIZMGCOGYWPRMH-UHFFFAOYSA-N 207.273 1.979 30 50 BDEA C=CCn1nc(CNc2ccc(F)cc2)[nH]c1=O 36559155 MFPVODPNFQQWSQ-UHFFFAOYSA-N 248.261 1.509 30 50 BDEA Cc1nc2ccc(C(=O)NCC#N)cc2o1 334800837 BFUUDTIDXVCJDA-UHFFFAOYSA-N 215.212 1.390 30 50 BDEA C[C@H](C#N)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 217895276 CHZGNICJVVRUGL-SECBINFHSA-N 247.107 1.267 30 50 BDEA CCOC(=O)c1sc(/N=C\N(C)C)nc1C 13154147 ZYELCRSYGFBHOA-WDZFZDKYSA-N 241.316 1.850 30 50 BDEA CC(=O)C[n+]1cccc2cc(O)ccc21 4947532 ZOQZFTGUNRZLBZ-UHFFFAOYSA-O 202.233 1.422 30 50 BDEA CC1CCN(/C(N)=N/C[C@H]2CCC=CO2)CC1 253392975 OIOCPBBGDRRYDH-GFCCVEGCSA-N 237.347 1.726 30 50 BDEA Cc1c(C#N)c2c(c[n+]1[O-])CCC[C@@H]2C 72447060 WQUDPWHZCLFNDU-QMMMGPOBSA-N 202.257 1.940 30 50 BDEA C=C(C)CS(=O)(=O)N[C@H]1CC[C@@H](F)C1 335953131 VFFHBBHALCOZHC-BDAKNGLRSA-N 221.297 1.373 30 50 BDEA N#Cc1cccnc1-c1ncccc1C#N 38536991 JJKQATMWMIMXAI-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA in-vitro CC#CC(=O)NC1(c2ccnc(OC)c2)CC1 1875379714 VEXSJPDTOKRSTR-UHFFFAOYSA-N 230.267 1.219 30 50 BDEA CN(C[C@@H]1CCCCN1C)c1cc(C#N)ccn1 584895258 DRRBGWYKXVBDBM-ZDUSSCGKSA-N 244.342 1.874 30 50 BDEA N#Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c1 353802906 NMVLMLBXXWJROO-CKYFFXLPSA-N 243.266 1.003 30 50 BDEA N#Cc1cc(F)c(F)cc1C(=O)C(=O)O 725261916 NGURAEPDIFZJGE-UHFFFAOYSA-N 211.123 1.104 30 50 BDEA N#Cc1cccc(C(=O)N2CCOCC2)c1 19488425 SWBITPIXEVAFSR-UHFFFAOYSA-N 216.240 1.031 30 50 BDEA COS(=O)(=O)c1c(C)cc(C)cc1C 39594440 VCXKHPUXNZJDDG-UHFFFAOYSA-N 214.286 1.947 30 50 BDEA in-vitro COC[C@@H]1C[C@H](OC)CN1c1ccc(C#N)nc1 284632684 UXIQXANYAQTWLR-STQMWFEESA-N 247.298 1.193 30 50 BDEA N#CCCNC[C@H]1COc2ccccc2O1 2193441 HDZVEVLDKLYESK-JTQLQIEISA-N 218.256 1.330 30 50 BDEA C=C(C)C[C@@H](C)C(=O)Nc1nncn1C 188820356 FZEQISJAXBQPTE-MRVPVSSYSA-N 208.265 1.356 30 50 BDEA N#Cc1ccc(NC[C@@H](CO)[C@H]2CCOC2)cn1 330073850 KSGHRLXMLKOYAF-QWRGUYRKSA-N 247.298 1.010 30 50 BDEA CC(=O)C1=CN(C)C(=O)N[C@H]1c1ccccc1 245391897 NFMSSWGHUAYBGG-LBPRGKRZSA-N 230.267 1.856 30 50 BDEA C[C@H](O)[C@@H]1CCN(c2cccnc2C#N)C1 161854004 USNOHTGVWWHIJM-VHSXEESVSA-N 217.272 1.160 30 50 BDEA O=C1CCCC(=O)C1=CNc1ccccn1 5572590 PBQTYQWNASKZJY-UHFFFAOYSA-N 216.240 1.700 30 50 BDEA CC#CC(=O)Nc1ccc2c(c1)NC(=O)CCC2 1875369830 LFBFPSJKIUSUIS-UHFFFAOYSA-N 242.278 1.923 30 50 BDEA C=C[C@@]12CCC(=O)N1[C@@H](C(C)(C)C)OC2=O 215637133 BTUAJNQTKSSATQ-SKDRFNHKSA-N 223.272 1.463 30 50 BDEA N/C(=N\O)c1cc(Br)ccc1F 75848048 QKTWSAHXFBJDFM-UHFFFAOYSA-N 233.040 1.683 30 50 BDEA Cn1ccnc1CCN1CCC(C)(C#N)CC1 226318565 SLXWJOOCRAMAFP-UHFFFAOYSA-N 232.331 1.588 30 50 BDEA CC1(C)OB(c2ccc3ncnn3c2)OC1(C)C 169747607 QXPSJGKDBGYOEX-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA in-vitro CC[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CC1(C)C 581767783 OIYIRUJPMOAKFX-LNLATYFQSA-N 206.289 1.841 30 50 BDEA Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C2CC2)n1 203284694 OBAKARDWOWAFTK-UHFFFAOYSA-N 248.135 1.597 30 50 BDEA C=CCCCCNC(=O)N1CC[C@@H](C)[C@H]1CO 252487023 HQNCLEUKNIATCN-VXGBXAGGSA-N 240.347 1.755 30 50 BDEA C=CC[C@@H]1CCCC[C@]12NC(=O)NC2=O 284128 KWWFSXZQXDGLHW-KCJUWKMLSA-N 208.261 1.331 30 50 BDEA CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccco1 291418 CVPXXXVLVHGDRC-SNVBAGLBSA-N 236.296 1.661 30 50 BDEA C=CC[C@]1(C(=O)O)CCCN(Cc2c[nH]cn2)C1 91536717 QZLPCHNTMVLOOD-ZDUSSCGKSA-N 249.314 1.653 30 50 BDEA Cc1ncc(C#N)cc1B1OC(C)(C)C(C)(C)O1 255190608 YHSGBQDYRWBLNR-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA CC1(C)OB(c2cc3cccnc3[nH]2)OC1(C)C 206180508 YAINQGNXRPAAGP-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA O=C(O)C(=O)/C=C/c1ccc(F)c(F)c1 71765841 ZPKURAUIQQBQCX-DUXPYHPUSA-N 212.151 1.632 30 50 BDEA in-vitro CC1(C)OB(c2cnc3ccnn3c2)OC1(C)C 169810122 SPDVTVCGCCNYOC-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA in-vitro C=C(C)Cn1cc(N=S(C)(C)=O)cn1 585122964 LEYCSWOTJXOKQD-UHFFFAOYSA-N 213.306 1.818 30 50 BDEA C=CCN(C(=O)C#C[C@@H]1CCCOC1)C1CC1 1615590693 ODZDVJNZWGQYFH-LBPRGKRZSA-N 233.311 1.593 30 50 BDEA COc1ccc2c(c1)CC/C(=N\O)C2=O 4530686 UHLKGOLZLXVSOR-ZRDIBKRKSA-N 205.213 1.654 30 50 BDEA CC#CC(=O)N[C@H]1CC[C@H](Oc2ccncc2)C1 1875376575 BJCUPDCWBTYRHJ-AAEUAGOBSA-N 244.294 1.521 30 50 BDEA c1ccc(-n2cc(OC[C@H]3CO3)cn2)cc1 1875378519 FEWORNYZAGYPJZ-LBPRGKRZSA-N 216.240 1.650 30 50 BDEA N#Cc1c(Nc2ccccc2)cc[nH]c1=O 8818241 NCENGPGNURJGGI-UHFFFAOYSA-N 211.224 1.990 30 50 BDEA C#Cc1cccc(C(=O)N(CCO)C(C)C)c1 20452572 QKYHACKLWJNLNE-UHFFFAOYSA-N 231.295 1.511 30 50 BDEA CS(=O)(=O)O[C@H]1CC2CC(CCC1=O)C2 43198751 SXTMMYHCPLACLT-KTOWXAHTSA-N 232.301 1.110 30 50 BDEA C#CC(C)(C)C(=O)N[C@H]1CCCSC1 725645179 AELVWJCIENZIPO-VIFPVBQESA-N 211.330 1.658 30 50 BDEA O=C(OCc1ccccc1)N1C[C@@H]2O[C@H]2C1 100667876 FZDACFZWWMAUBO-QWRGUYRKSA-N 219.240 1.406 30 50 BDEA in-vitro c1cc2c(cc1OC[C@H]1CO1)COCC2 1875378421 CSCREUBGBWEMCZ-LBPRGKRZSA-N 206.241 1.537 30 50 BDEA CC(C)c1nnc(Cn2cccc(C#N)c2=O)o1 330942210 GHKNYSXFYRODDN-UHFFFAOYSA-N 244.254 1.275 30 50 BDEA C[n+]1ccccc1COc1ccc(/C=N/O)cc1 337568 VDHQBXAFWXHAGL-XNTDXEJSSA-O 243.286 1.898 30 50 BDEA C#CCOc1ccc(/C=N/O)cc1OC 100337449 LQQXSNYNYDDMPS-XYOKQWHBSA-N 205.213 1.515 30 50 BDEA N#Cc1ccccc1OCC1CCNCC1 51869687 SYLUEUPKQGASLC-UHFFFAOYSA-N 216.284 1.937 30 50 BDEA C=CCN1C(=O)CC2(C[C@@H](C)O[C@H](C)C2)C1=O 71774378 NUKRCSAADCAVFP-NXEZZACHSA-N 237.299 1.505 30 50 BDEA C=CCn1[nH]c2nc(SC)ncc2c1=O 85223634 JKBQCALHIQOSTC-UHFFFAOYSA-N 222.273 1.028 30 50 BDEA in-vitro C=C(C)CNC(=O)NCc1ncoc1C 156383158 SPTHLBDZQUOTDZ-UHFFFAOYSA-N 209.249 1.358 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169743672 JEECGGXGHJUYMN-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA CCN(Cc1ccc2[nH]ccc2c1)C(=O)[C@@H]1CO1 1875373053 SPYVPRODRYKCNP-ZDUSSCGKSA-N 244.294 1.915 30 50 BDEA O=C(NCc1cccc2c1CCC2)[C@@H]1CO1 1875372801 MOJLPDZBUGTVEF-LBPRGKRZSA-N 217.268 1.190 30 50 BDEA C=CCNC(=O)Nc1cccc([N+](=O)[O-])c1 2164771 SGCZSRZUTHFVGE-UHFFFAOYSA-N 221.216 1.902 30 50 BDEA C=CCn1cc(CNCCc2c[nH]cn2)c(C)n1 55308073 UZJOYUFLZJIFDB-UHFFFAOYSA-N 245.330 1.433 30 50 BDEA C#C[C@H](NC(=O)N[C@H]1CCSC1)C(C)C 252479537 BHFRQKPMEIHWQY-UWVGGRQHSA-N 226.345 1.449 30 50 BDEA C[C@]1(c2ccc3c(c2)OCCO3)O[C@H]1C#N 390238490 MHDHSZPYGUTIAC-NWDGAFQWSA-N 217.224 1.595 30 50 BDEA C[C@H]1CN(c2ccnc(C#N)n2)C[C@@H](C2CC2)O1 408522618 KPRTWHOMFBLPJZ-ONGXEEELSA-N 244.298 1.352 30 50 BDEA N#Cc1cc(C[C@@H]2CCNC2)ccc1F 215216017 QKMDZZLKKQHXLA-JTQLQIEISA-N 204.248 1.849 30 50 BDEA C#CCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C 192232236 XRDKHCJIOMNLFH-RYUDHWBXSA-N 222.332 1.246 30 50 BDEA Cc1nnc(NCC[C@@H](C)N(C)C)c(C#N)c1C 596427914 CCLYHJUKUDJOJF-SECBINFHSA-N 247.346 1.717 30 50 BDEA O=C(NCC1(c2ccccc2)CC1)[C@@H]1CO1 1875372409 FRKCOTBIUUDWIA-NSHDSACASA-N 217.268 1.233 30 50 BDEA CCOC(=O)CC(=O)c1cccc(C#N)c1 21986614 BKFPVHXPYUFQHT-UHFFFAOYSA-N 217.224 1.694 30 50 BDEA C=CCNS(=O)(=O)c1cc(C)ccc1OC 2140807 GFTKHWSDUJGXIZ-UHFFFAOYSA-N 241.312 1.468 30 50 BDEA CCOc1ncccc1B1OC(C)(C)C(C)(C)O1 169743669 GRXNEZGBXVIORK-UHFFFAOYSA-N 249.119 1.780 30 50 BDEA in-vitro Cc1c(B2OC(C)(C)C(C)(C)O2)cc(C#N)n1C 169936067 XSFSSCXBYWRZLI-UHFFFAOYSA-N 246.119 1.504 30 50 BDEA in-vitro N#Cc1ccc(-c2cccs2)[nH]c1=O 14982533 JTXFPILITXFNSM-UHFFFAOYSA-N 202.238 1.975 30 50 BDEA in-vitro N#Cc1cccc(C2(NC(=O)[C@@H]3CO3)CCC2)c1 1875373201 WAHZYQCNYIDXTL-LBPRGKRZSA-N 242.278 1.452 30 50 BDEA N#Cc1c(Cl)nsc1NCC1=NOCC1 1775991343 RLETXMPLKTXBCC-UHFFFAOYSA-N 242.691 1.856 30 50 BDEA Cc1nnc(NC2CC(N(C)C)C2)c(C#N)c1C 701482527 BDJFJQXATMWKOI-UHFFFAOYSA-N 245.330 1.470 30 50 BDEA N#CCCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337273394 CRSLVKIMANTPJJ-JHJVBQTASA-N 222.332 1.916 30 50 BDEA C=CCNC(=O)c1ccc(OC)cc1OC 2177042 ZVPNDARLMULCAP-UHFFFAOYSA-N 221.256 1.620 30 50 BDEA CC#CCn1cnc(-c2nccs2)n1 225826400 QERQVBZRPONDPX-UHFFFAOYSA-N 204.258 1.425 30 50 BDEA C=C(C(=O)OC)[C@@H](O)c1ccc(OC)cc1 38284122 RUCJNHNMQXTVOS-LLVKDONJSA-N 222.240 1.458 30 50 BDEA C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CO)C1 245436758 RDICQQJPNLRXAZ-WCQYABFASA-N 230.311 1.933 30 50 BDEA CCOC(=O)c1cn2ccc(C#N)cc2n1 113585793 HVZOGAXAPPILLE-UHFFFAOYSA-N 215.212 1.383 30 50 BDEA in-vitro Cc1noc(=O)n1Cc1ccc(C#N)cc1 1857533393 GFEXBNWDHJTNPM-UHFFFAOYSA-N 215.212 1.065 30 50 BDEA CS/C(N)=N/N=C/c1cc(C)ccc1O 13638809 AUYZAAGSGFULLW-WUXMJOGZSA-N 223.301 1.712 30 50 BDEA C=CCn1c(=S)[nH]c(O)c(CC)c1=O 16513353 QXUDFQRDBNLMAI-UHFFFAOYSA-N 212.274 1.360 30 50 BDEA OCc1cc(F)c(OC[C@H]2CO2)c(F)c1 1857780144 OFWKIYIIIKCCAH-SSDOTTSWSA-N 216.183 1.235 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@](F)(c2ccccc2)C1 1875372795 MOEXDKVVGKZDPZ-TZMCWYRMSA-N 249.285 1.873 30 50 BDEA COc1ncc(NCc2c[nH]nc2C)cc1C#N 1775987684 RZCUHIQFNWABRQ-UHFFFAOYSA-N 243.270 1.606 30 50 BDEA N#Cc1cccc(NC(=O)NC2CC(C#N)C2)c1 1202798350 SFVSSDPCZNBWSD-UHFFFAOYSA-N 240.266 1.982 30 50 BDEA CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccco1 291419 CVPXXXVLVHGDRC-JTQLQIEISA-N 236.296 1.661 30 50 BDEA C=CCc1cccc2cc(C(N)=O)c(=N)oc12 4903564 NHLQWUMWDBCLPG-UHFFFAOYSA-N 228.251 1.740 30 50 BDEA O=[N+]([O-])/N=C1/N=N[C@@H](c2ccccc2)N1 22782340 IIPIIFMAQDUZER-ZETCQYMHSA-N 205.177 1.288 30 50 BDEA N#Cc1ccc(CN2CCC(CN)CC2)cc1 44512022 WHVQYIFEAAKALY-UHFFFAOYSA-N 229.327 1.729 30 50 BDEA C=C[C@H]1CCN(C(=O)NCCc2cnc[nH]2)C1 426620308 XLISEKMKFLICOY-JTQLQIEISA-N 234.303 1.170 30 50 BDEA CO[C@H]1C[C@@H](CO)N(Cc2ccc(C#N)cc2)C1 343992210 VNFVXWMPOSZIFX-KBPBESRZSA-N 246.310 1.140 30 50 BDEA O=C1CS/C(=C/C(=O)c2ccccc2)N1 17783631 BTDQKQGXDXRJGG-IZZDOVSWSA-N 219.265 1.574 30 50 BDEA CC#CC(=O)N[C@H]([C@@H]1CCCOC1)C(F)(F)F 1875367508 JBTUGHGZADVCCK-PSASIEDQSA-N 249.232 1.483 30 50 BDEA N#Cc1c(-c2ccccc2)nc(O)[nH]c1=O 4714743 WEHVDNFYECTOQI-UHFFFAOYSA-N 213.196 1.014 30 50 BDEA C[C@@H](C#N)OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 221998679 GIJQXYPMCLQAFK-VFYXCYBESA-N 249.310 1.773 30 50 BDEA C=CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2243545 AJBUKLQZLAOFEA-QMMMGPOBSA-N 245.275 1.167 30 50 BDEA CCCC(=O)ON1C(=O)c2ccccc2C1=O 143875066 MHNXVNPQGLYWAD-UHFFFAOYSA-N 233.223 1.541 30 50 BDEA CC/C(=N\OCC(=O)O)c1ccccc1 71772954 SNFQHEDYISCANY-ZRDIBKRKSA-N 207.229 1.902 30 50 BDEA COc1ccnc(N)c1C#C[Si](C)(C)C 169794070 YMEMZSDPPMVKEZ-UHFFFAOYSA-N 220.348 1.901 30 50 BDEA in-vitro C#C[C@@H]1CCCN(Cc2c(C)nn(C)c2C)C1 585090895 XKKADXFCGZZGMJ-CYBMUJFWSA-N 231.343 1.882 30 50 BDEA CN(c1cnc(C#N)cn1)[C@@H]1CC1(C)C 302861318 PUXBUYHRHHTGKU-SECBINFHSA-N 202.261 1.583 30 50 BDEA C[C@@]1(C(=O)N[C@H]2CCCc3ccccc32)CO1 1875325582 PVKJQZAAFDPVND-JSGCOSHPSA-N 231.295 1.969 30 50 BDEA C#CCN(CC=C)C(=O)c1ccc2[nH]nnc2c1 20534855 PVFMRSYRRZASCG-UHFFFAOYSA-N 240.266 1.219 30 50 BDEA CN(CC#CC(C)(C)O)Cc1ccccc1 55502024 OGZLCDOCGKKCDE-UHFFFAOYSA-N 217.312 1.893 30 50 BDEA C#CCSc1nc2ccsc2c(=O)n1C 3041310 QPRLWZDTUYIREB-UHFFFAOYSA-N 236.321 1.720 30 50 BDEA C=C/C(O)=N/[C@@H](C)c1nnnn1C1CC1 328597244 GFSSGHBUFCXHOF-LURJTMIESA-N 207.237 1.212 30 50 BDEA CCC1(C=O)CN(C(=O)OC(C)(C)C)C1 238222658 YROWGJWKJHHJIQ-UHFFFAOYSA-N 213.277 1.832 30 50 BDEA C=CCNC(=O)CN1CCC(c2cnco2)CC1 1615552234 SMJOAPYUGBSPSL-UHFFFAOYSA-N 249.314 1.156 30 50 BDEA COc1ccc(CNC(=O)CC#N)cc1 60967 CZEXVFFBZBDCNV-UHFFFAOYSA-N 204.229 1.225 30 50 BDEA in-vitro CN(C)/C=C1\C=C2C(=O)c3ccccc3N2C1=O 12341388 XTONMKJWXCEIEE-CMDGGOBGSA-N 240.262 1.559 30 50 BDEA CCOC(=O)c1cn2cc(C#N)ccc2n1 8730177 IZFWEISJHSMCDD-UHFFFAOYSA-N 215.212 1.383 30 50 BDEA in-vitro c1cc(OC[C@@H]2CO2)ccc1OC[C@@H]1CO1 40716 FSYPIGPPWAJCJG-VXGBXAGGSA-N 222.240 1.242 30 50 BDEA N/C(=N\OC(=O)C1CCCCC1)c1cccnc1 6883705 BVMXMKCLGHLSBJ-UHFFFAOYSA-N 247.298 1.825 30 50 BDEA O=C1C(=CNC2CC2)C(=O)c2ccccc21 100251382 ZDCXNWUFUNOJFP-UHFFFAOYSA-N 213.236 1.702 30 50 BDEA N#Cc1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c1 353802907 NMVLMLBXXWJROO-JFGNBEQYSA-N 243.266 1.003 30 50 BDEA C=CCN1C(=O)N(C)C(=O)[C@H]1c1ccccc1 71773030 OHONXLVZUXBJJK-LLVKDONJSA-N 230.267 1.808 30 50 BDEA C=CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 95616691 XWAFVZGCUNQYNV-NXEZZACHSA-N 227.304 1.790 30 50 BDEA N#CCN1CCN(c2cccc3nc[nH]c23)CC1 1875275210 AMUPLYQSIUUESV-UHFFFAOYSA-N 241.298 1.208 30 50 BDEA C=CCNC(=S)Nc1cccc(O)c1 5498637 FRANMYVAZNPFQM-UHFFFAOYSA-N 208.286 1.865 30 50 BDEA CC1(C)Cc2nc(N)c(C#N)cc2CO1 19313073 CWCCSDZPGHNWRT-UHFFFAOYSA-N 203.245 1.387 30 50 BDEA N/C(=N/O)c1ccccc1OC(F)(F)F 4287514 KGHGHEPVWUOJAZ-UHFFFAOYSA-N 220.150 1.680 30 50 BDEA in-vitro O/C(=N/[C@@H]1[C@H]2COC[C@H]21)c1conc1C1CC1 329719929 MPQOKMQGLCMDFS-VROVMSAKSA-N 234.255 1.501 30 50 BDEA Cc1cc(C(=O)NCC2(C#N)CCC2)ns1 333107382 DIBLKLQCXWXHND-UHFFFAOYSA-N 235.312 1.875 30 50 BDEA COC(=O)[C@@]1(C)O[C@@H]1c1ccc2c(c1)OCO2 231226656 NEWFBAYQRLTJTP-PWSUYJOCSA-N 236.223 1.418 30 50 BDEA CC(C[C@@]1(O)C(=O)Nc2ccccc21)=NO 254882983 FMSUHJDSPXJLBK-NSHDSACASA-N 220.228 1.067 30 50 BDEA CCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169748301 YYJPHWDHDLLAJH-UHFFFAOYSA-N 233.120 1.943 30 50 BDEA in-vitro C/N=C(/N)NC[C@H](C)Sc1ccccc1 170642340 HBZKUFVTARNOLT-VIFPVBQESA-N 223.345 1.701 30 50 BDEA C=C(CCC)C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 1615585957 GATPWIMPAVTKAH-SRVKXCTJSA-N 223.316 1.715 30 50 BDEA C=C[C@@]12CC[C@@H](O)N1[C@@H](C(C)(C)C)OC2=O 261508004 OSMNXSOTZQLTFX-LNLATYFQSA-N 225.288 1.254 30 50 BDEA in-vitro O=C(NCc1ccccc1C1CCC1)[C@@H]1CO1 1875373366 ZFNVOZOQKVQFMV-ZDUSSCGKSA-N 231.295 1.969 30 50 BDEA O=C(N[C@@H]1CCCc2c(F)cccc21)[C@@H]1CO1 1875372560 IFEYZGDPZGUCAM-NEPJUHHUSA-N 235.258 1.718 30 50 BDEA CC(C)N(CC#N)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 136418094 IVSNEEOFOIHOQA-SDDRHHMPSA-N 218.300 1.959 30 50 BDEA N#CCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281900894 QPOQMVBFGLZULN-NWDGAFQWSA-N 220.247 1.457 30 50 BDEA N#CC1(C(=O)N2CC[C@H](C(=O)O)C2)CCCC1 237954841 WNHRZSLGQBFYIL-VIFPVBQESA-N 236.271 1.003 30 50 BDEA Cc1cocc1B1OC(C)(C)C(C)(C)O1 207222501 OVPVLAPRNPZCJA-UHFFFAOYSA-N 208.066 1.887 30 50 BDEA Cc1nocc1C(=O)N(CC#N)C1CCCC1 402637652 BTALJYBSVQNJRH-UHFFFAOYSA-N 233.271 1.891 30 50 BDEA CO[C@H]1CN(C(=O)CCCC#N)CC[C@@H]1C 408239013 WLEZAMDYKLYFCH-QWRGUYRKSA-N 224.304 1.564 30 50 BDEA c1cc(OC[C@@H]2CO2)cc(-n2cncn2)c1 1875379717 VGVWAGYONMVLRB-LLVKDONJSA-N 217.228 1.045 30 50 BDEA Clc1nccnc1N/N=C/c1cccnc1 4321529 DYBNZCGBRXDAIO-VIZOYTHASA-N 233.662 1.971 30 50 BDEA Cc1c(C#N)nn(-c2ccccc2)c(=O)c1C#N 4532681 KZTUUGZYKMXTBU-UHFFFAOYSA-N 236.234 1.284 30 50 BDEA COC(=O)[C@@H](C)NCc1ccc(C#N)s1 135524452 AYPMIERSZMPTFG-SSDOTTSWSA-N 224.285 1.271 30 50 BDEA CC[C@@]1(CO)CCCN(c2ncccc2C#N)C1 32513769 ZURFUXGLALCICG-CQSZACIVSA-N 245.326 1.942 30 50 BDEA C#CCCCOc1ccc(C(=O)O)cn1 263625026 WCEAOFYECUKUBE-UHFFFAOYSA-N 205.213 1.572 30 50 BDEA C#CCN(C)C(=O)[C@@H](C)Oc1ccccc1 191128443 AJHZMKCQCLZKLB-LLVKDONJSA-N 217.268 1.546 30 50 BDEA C=C[C@@H]1CCN(C(=O)Cc2ccccc2O)C1 1857704948 MDFSJKUFMXJGGL-LLVKDONJSA-N 231.295 1.969 30 50 BDEA Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1F 169969365 OVHDFPVMPHVVDY-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA C=CC(=O)N1CCc2cc(C#N)ccc2C1 1776007150 TXKFPPAICLDJQO-UHFFFAOYSA-N 212.252 1.629 30 50 BDEA C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 402696744 DUKATVXOTAVDPN-NOOOWODRSA-N 218.300 1.865 30 50 BDEA C[C@H]1C[C@@H](O)CN1c1ccc(C#N)cc1F 334803474 AJYRKWDFRVMZKB-WCBMZHEXSA-N 220.247 1.657 30 50 BDEA Cn1cc(/C=N/O)c(-c2ccncc2)n1 2325721760 SORLWERPKHYCPR-WUXMJOGZSA-N 202.217 1.290 30 50 BDEA C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C#CC1CC1 924029186 WPGDUTDAGKPFMD-LPTSXCQYSA-N 217.312 1.808 30 50 BDEA CCOC(=O)C(=O)[C@@H](C#N)c1ccccc1 2033977 YWNRATDDUSMBPR-JTQLQIEISA-N 217.224 1.426 30 50 BDEA C#CCN(C)C(=O)c1ccncc1CC 225636301 XJBNCPLLLMBHOG-UHFFFAOYSA-N 202.257 1.349 30 50 BDEA NC(=O)[C@@]12O[C@@]1(Cl)CCCC2(Cl)Cl 100448646 RJDOGZFPFXYFDM-BQBZGAKWSA-N 244.505 1.534 30 50 BDEA CC(C)OB(OC(C)C)c1nccs1 170017198 KDHBEYUTABKGLA-UHFFFAOYSA-N 213.111 1.688 30 50 BDEA Cc1nc(C#N)c(C#N)n1CCCOC(C)C 135477733 OFYNTOVKIWAHPP-UHFFFAOYSA-N 232.287 1.750 30 50 BDEA C=CC1OCC2(CO1)COC(C=C)OC2 406949 OOXMQACSWCZQLX-UHFFFAOYSA-N 212.245 1.091 30 50 BDEA in-vitro Cn1cc(CCNc2cccc(C#N)n2)cn1 128185557 ZDLPWVLFHZGDDC-UHFFFAOYSA-N 227.271 1.341 30 50 BDEA O[C@@H](C#CCN1CCOCC1)c1ccccc1 19595279 FAIVFMWREWZJNR-AWEZNQCLSA-N 231.295 1.056 30 50 BDEA COC[C@H](OC(=O)c1ccc(C#N)[nH]1)C1CC1 156311895 URBCNZRRZBQIEY-NSHDSACASA-N 234.255 1.468 30 50 BDEA CC#CC(=O)NC[C@@]1(CO)CCc2ccccc21 846342902 LHCYDDOGXZIILE-OAHLLOKOSA-N 243.306 1.002 30 50 BDEA N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CO1 1875372514 HHFIOXOPXWQFRN-RYUDHWBXSA-N 228.251 1.061 30 50 BDEA C[C@H](C#N)CNC(=O)[C@@H]1CCC(F)(F)C1 308608630 WWVSLVXXHYYWEA-HTQZYQBOSA-N 216.231 1.698 30 50 BDEA O=C(C[n+]1ccccc1)Nc1ccccc1 1955938 DKIZHDDUTMSZEI-UHFFFAOYSA-O 213.260 1.613 30 50 BDEA Cn1cc[n+](CC(=O)Nc2ccccc2F)c1 6319679 TVPKAVRLIXXVEG-UHFFFAOYSA-O 234.254 1.090 30 50 BDEA C=CCC(C)(C)CN1CCC(=O)NC[C@@H]1C 67559722 MSVWIIYYNJBABM-NSHDSACASA-N 224.348 1.799 30 50 BDEA CN(C(=O)C1CC(F)(F)C1)C1(C#N)CCC1 334862771 GQUMUBWJDIXJGW-UHFFFAOYSA-N 228.242 1.936 30 50 BDEA C[C@H]1C[C@H](C=O)CN1C(=O)OC(C)(C)C 238437215 JGJBPKGWOWFJFN-IUCAKERBSA-N 213.277 1.831 30 50 BDEA CNC(=NC[C@@H]1SCCc2ccccc21)NC 170653822 FALAFKXTFVCKRJ-LBPRGKRZSA-N 249.383 1.812 30 50 BDEA CC1(CC/N=C(/O)[C@@H]2CCc3nncn3C2)CC1 329064338 KMGPPSNUFULPLZ-SNVBAGLBSA-N 248.330 1.987 30 50 BDEA C(CCCOC[C@H]1CO1)CCOC[C@H]1CO1 5191966 WTYYGFLRBWMFRY-RYUDHWBXSA-N 230.304 1.378 30 50 BDEA in-vitro O=S1(=O)OC(F)(F)[C@]1(F)C(F)(F)F 4290180 NRSBEUZIEWSRKT-SFOWXEAESA-N 230.085 1.167 30 50 BDEA in-vitro NC(=S)N/N=C1\CCCc2ccccc21 17886553 PRNSUJCXOCSNAQ-JLHYYAGUSA-N 219.313 1.560 30 50 BDEA COc1nc(B2OC(C)(C)C(C)(C)O2)cs1 198085398 IQKAMVPPWVBCAY-UHFFFAOYSA-N 241.121 1.451 30 50 BDEA C[C@@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 700402276 GFAVNKLTLDALGH-JGVFFNPUSA-N 242.275 1.514 30 50 BDEA Cc1nc([C@H](C)/N=C(/O)c2cnn[nH]2)cs1 330658272 WZEODZGHFKISSD-YFKPBYRVSA-N 237.288 1.635 30 50 BDEA O=C([C@H]1CO1)N1CC[C@H]1c1cccc(F)c1 1875373328 YOCKVEIHGRZDIF-WDEREUQCSA-N 221.231 1.498 30 50 BDEA CON1CCC(NCc2cccc(C#N)c2)CC1 323457036 GSOGOFLEVIUJDD-UHFFFAOYSA-N 245.326 1.674 30 50 BDEA C#CCN/C(=N/C)N1C[C@H](C)C[C@@H](C)C1 113982290 NWQYZNYQSURQKN-GHMZBOCLSA-N 207.321 1.173 30 50 BDEA CCOC(=O)c1c(N)c(C)nc(Cl)c1C#N 71773986 ILXGBFMEOIGZMB-UHFFFAOYSA-N 239.662 1.674 30 50 BDEA C[C@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1 182888696 UPEJIEBJGSRWKD-WCQYABFASA-N 244.294 1.541 30 50 BDEA C=C1CN(C(=O)Cc2ccc3c[nH]nc3c2)C1 1470038029 BRFWWLNMOMTHBZ-UHFFFAOYSA-N 227.267 1.504 30 50 BDEA Cc1ccccc1B1OCC(C)(C)CO1 169807401 ZZYGMAWEGWFCCK-UHFFFAOYSA-N 204.078 1.763 30 50 BDEA in-vitro COc1cc(/C=N/O)cc(OC)c1OC 18107518 QVZGKUBQTJBLKI-IZZDOVSWSA-N 211.217 1.521 30 50 BDEA in-vitro CN1CCN(Cc2ccc(C#N)cc2)CC1 19431604 IVSYNRMJMLDSIB-UHFFFAOYSA-N 215.300 1.306 30 50 BDEA in-vitro O=C([C@H]1CO1)N1CCC[C@H]1COc1ccccc1 1875372750 MBTXKYWIGUEMOB-WCQYABFASA-N 247.294 1.455 30 50 BDEA N#Cc1nccnc1N1CCc2ncccc2C1 371008694 YURKTAPKKGCVDD-UHFFFAOYSA-N 237.266 1.306 30 50 BDEA C#CCn1c(COC)nc2ccccc21 1926899 YCWJTWUOWSFXDU-UHFFFAOYSA-N 200.241 1.816 30 50 BDEA C=CCC(=O)N(C)CC1(CO)CCCC1 67755052 SYVDOVUJEHVXPE-UHFFFAOYSA-N 211.305 1.574 30 50 BDEA Cc1ncccc1/C(O)=N/C[C@H]1COCCO1 330699562 HPLKYFOHWFCUJZ-JTQLQIEISA-N 236.271 1.110 30 50 BDEA COC(=O)[C@@H](C#N)Cc1ccccc1F 49813649 SRPVOGCOJSGGBW-SECBINFHSA-N 207.204 1.681 30 50 BDEA in-vitro N#Cc1cccc(N2CCC[C@H](F)C2)n1 335206807 MKKQHLKXOGKVFB-VIFPVBQESA-N 205.236 1.892 30 50 BDEA C=COC(=O)C[n+]1csc2ccccc21 2865242 PKKMIFQZOUNPBH-UHFFFAOYSA-N 220.273 1.876 30 50 BDEA N#CCOC(=O)c1cnc2ccccc2c1 3132271 VDLCZBHXVLTXDR-UHFFFAOYSA-N 212.208 1.915 30 50 BDEA Cc1oc(C#N)cc1C(=O)N1CCOCC12CC2 334202328 OYCSOOZIPQYSJK-UHFFFAOYSA-N 246.266 1.465 30 50 BDEA C=C[C@@H](O)C(=O)N1CC[C@@](F)(c2ccccc2)C1 614530976 GDKDJDFMJGDIDT-OCCSQVGLSA-N 249.285 1.631 30 50 BDEA CC1(C)OB(c2cncc(C#N)c2)OC1(C)C 169747182 BOIKCRIMIQAFQJ-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro C/N=C(\N)NCCc1ccc(C)c(OC)c1 170638320 QNUNBSAEXJQNHW-UHFFFAOYSA-N 221.304 1.080 30 50 BDEA COC(=O)c1ccc(NC(=O)CC#N)cc1 5526438 LFWDCPQCWQRTQW-UHFFFAOYSA-N 218.212 1.325 30 50 BDEA in-vitro COC(=O)c1csc(C(C)(C)C#N)n1 150332137 UHWUZBALUCVGJZ-UHFFFAOYSA-N 210.258 1.731 30 50 BDEA COc1ccc(COC[C@@H]2CO2)cc1OC 3389617 HXJFFWGEHYIYMQ-SNVBAGLBSA-N 224.256 1.619 30 50 BDEA in-vitro N#CCNC(=O)c1cnc2ccc(F)cc2c1 179232946 ARJCLCGVKQZVLJ-UHFFFAOYSA-N 229.214 1.627 30 50 BDEA N#Cc1ccc(N2CCC[C@@H]2CF)cn1 292652066 BRYLTRSFCLATMZ-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA Cc1nn(C)c2cc(NC(=O)CC#N)ccc12 293301491 UYGMPMNRGJVNHY-UHFFFAOYSA-N 228.255 1.734 30 50 BDEA Cc1ccc(CC=NNC(N)=S)cc1 254700073 AXPCAXHMHLMRNY-UHFFFAOYSA-N 207.302 1.357 30 50 BDEA CCCCOCC(=O)N(C)c1cc(C#N)ccn1 170610444 ORXCQWQIDVEGTA-UHFFFAOYSA-N 247.298 1.733 30 50 BDEA CC#CC(=O)N[C@@H](C)c1c(C)n[nH]c1C 910071407 UGHRAXLYSWFLMV-ZETCQYMHSA-N 205.261 1.227 30 50 BDEA O=C(O)CN1CCC/C1=N\c1ccccc1 266041 JVLRJBQHAYNELF-ACCUITESSA-N 218.256 1.897 30 50 BDEA C[C@@H](O)[C@H]1CCN(c2cccnc2C#N)C1 161854310 USNOHTGVWWHIJM-ZJUUUORDSA-N 217.272 1.160 30 50 BDEA O=C(/C=C\c1ccc(O)cc1)c1cc[n+]([O-])cc1 4566599 JTPFLXTZSCUSBT-UTCJRWHESA-N 241.246 1.922 30 50 BDEA CC#CC(=O)NC1CC(O)(c2ccc(F)cc2)C1 1875379083 MWTJTPWHSLOLIM-UHFFFAOYSA-N 247.269 1.315 30 50 BDEA CC#CCN(C)C[C@H]1CCc2nccn2C1 328652236 WGBNVYITQGTFGS-GFCCVEGCSA-N 217.316 1.401 30 50 BDEA Cc1nc2n(CC#N)c3ccccc3n2n1 432109 GUAUHKYMBHAYNE-UHFFFAOYSA-N 211.228 1.516 30 50 BDEA CN(C)C1=CC(=O)c2ccccc2C1=O 2038686 OCDJBQCSKVSZHQ-UHFFFAOYSA-N 201.225 1.511 30 50 BDEA N#CCSc1nnnn1-c1ccccc1F 2491606 BVOHRVXDPOSWNZ-UHFFFAOYSA-N 235.247 1.417 30 50 BDEA COC(=O)CCCCCCC1=C[C@H](O)CC1=O 2569928 PQKUWAVOSCVDCT-NSHDSACASA-N 240.299 1.760 30 50 BDEA COc1cc(C#N)ccc1OCC(=O)N(C)C 8709469 MFIFZQUEECGLCH-UHFFFAOYSA-N 234.255 1.034 30 50 BDEA CCCCN/C(N)=N/C[C@H]1CCC=CO1 240465796 GAHHSYFATOJEFS-SNVBAGLBSA-N 211.309 1.384 30 50 BDEA C=C(B1OCCN(C)CCO1)c1ccccc1 169746755 QWPFMUGPSYWPFD-UHFFFAOYSA-N 231.104 1.706 30 50 BDEA in-vitro Cc1ccc(/C=N/n2cnnc2)cc1[N+](=O)[O-] 439625 SFNGTHSLYRLULH-WLRTZDKTSA-N 231.215 1.377 30 50 BDEA CC[C@]12C[C@H]1CN(C(=O)c1ccc(C#N)nc1)C2 1772804943 GZVRWSSLNKRXMC-SMDDNHRTSA-N 241.294 1.825 30 50 BDEA C#CC[C@H](C)N1C(=O)[C@@H]2CCCCN2C1=O 225558659 BMHNKBSKAYZMFZ-UWVGGRQHSA-N 220.272 1.215 30 50 BDEA CC#CCOc1ccc(C(N)=S)cn1 263623214 FQYJNCKURNFGKI-UHFFFAOYSA-N 206.270 1.118 30 50 BDEA CCc1ccc2nc(N=C(N)N)nc(C)c2c1 6844193 BMPKQEBQJJQTJC-UHFFFAOYSA-N 229.287 1.406 30 50 BDEA CCCC(N)=C1C(=O)CC(C)(C)CC1=O 100319379 YBAAGUBVPQAXGT-UHFFFAOYSA-N 209.289 1.958 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@](C#N)(CCO)C1 263624058 NBHNUADPEMTSIS-GFCCVEGCSA-N 240.303 1.520 30 50 BDEA COC(=O)c1cc(CC#N)ccc1OC 91691845 LBSDGRMADKXDMY-UHFFFAOYSA-N 205.213 1.548 30 50 BDEA in-vitro CC#CC(=O)Nc1ccc2c(c1)CC(=O)N2 764510562 YHZBNDNVFHWKIH-UHFFFAOYSA-N 214.224 1.143 30 50 BDEA Cc1[nH]c(=O)c(C#N)c(C)c1Br 8670099 DFGKQCOFARYQOA-UHFFFAOYSA-N 227.061 1.626 30 50 BDEA in-vitro Cc1cc(C(=O)NCC#N)ccc1[N+](=O)[O-] 2910281 YPYWVQJAVOVOJV-UHFFFAOYSA-N 219.200 1.157 30 50 BDEA CC/N=C(\S)N/N=C/c1cccs1 8687212 ZAHRLVBYQPAUMY-UXBLZVDNSA-N 213.331 1.977 30 50 BDEA COC(=O)CC(=O)c1ccc(F)c(C#N)c1 309357697 JGXVTADBJGBXCF-UHFFFAOYSA-N 221.187 1.443 30 50 BDEA N#Cc1ccncc1I 12359379 KMFIQUYSWTUCGD-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA C=C/C(O)=N/CC/N=C(/O)c1ccoc1 328593022 MTAWLQSIXLLJMM-UHFFFAOYSA-N 208.217 1.727 30 50 BDEA CN(CCc1cnccn1)[C@H]1CC[C@@H](C#N)C1 293710245 DSAFNPKOMSFBDT-YPMHNXCESA-N 230.315 1.643 30 50 BDEA N#Cc1c(F)cccc1C(=O)N1CCCO1 189039233 XIKRSFSIQRJNOV-UHFFFAOYSA-N 220.203 1.475 30 50 BDEA N#Cc1cccnc1I 12471657 DWOZARUWGMZCHN-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA in-vitro N#Cc1ccc(-c2ccc(C#N)nc2)cn1 38537478 FCUUPEZTURQMQH-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA in-vitro N#Cc1cc[n+](CC(=O)c2ccccc2)cc1 1956008 RCQXHFDZTXWCSB-UHFFFAOYSA-N 223.255 1.729 30 50 BDEA C[C@@H](CNc1cnccc1C#N)C(=O)O 135580232 HHZPGQMAZBSQOV-ZETCQYMHSA-N 205.217 1.086 30 50 BDEA C[C@H]1COCCN1CC/N=C(/O)c1ccoc1 330628668 ZIPQBBXIYGZDJF-JTQLQIEISA-N 238.287 1.305 30 50 BDEA COc1ccc(N2CC[C@@H](C#N)C2=O)cc1 12336638 WJNKWJPPJNXMOJ-VIFPVBQESA-N 216.240 1.572 30 50 BDEA in-vitro C=C(C)CN(C)C(=O)c1ccc(C(=O)O)nc1 165909482 PSUZNAMHYYWQOP-UHFFFAOYSA-N 234.255 1.428 30 50 BDEA C(#Cc1ccccc1)CNC[C@H]1CCCO1 12955354 MYBDHXSMSSJURH-CQSZACIVSA-N 215.296 1.807 30 50 BDEA C=C[C@@H]1COC(=O)N1c1ccc(C(=O)OC)cc1 15778834 UHBOGRJDHPGJJC-SNVBAGLBSA-N 247.250 1.984 30 50 BDEA CN(/N=C/c1cccnc1)c1ccnc(S)n1 18192072 YLHHKQNXDSFDLC-RIYZIHGNSA-N 245.311 1.631 30 50 BDEA N#Cc1cccc(NCC2(CO)CCOCC2)n1 269724585 RBHDCMGGOHZYRB-UHFFFAOYSA-N 247.298 1.154 30 50 BDEA C(CCCOC[C@@H]1CO1)CCOC[C@@H]1CO1 2527914 WTYYGFLRBWMFRY-VXGBXAGGSA-N 230.304 1.378 30 50 BDEA in-vitro CC1=C[C@@]2(C)C[C@H]1[C@H]1C(=O)C=CC(=O)[C@@H]12 104919748 WYEUOKRQYOEJHM-YJRXYDGGSA-N 202.253 1.913 30 50 BDEA N#C[C@H]1COCCN1CCC(=O)c1ccccc1 182679140 DGIOCIHAJYUIDF-ZDUSSCGKSA-N 244.294 1.484 30 50 BDEA CC(C)OCC/N=C(\N)N1CCCCCC1 170594893 SEQKEJATJXJZMK-UHFFFAOYSA-N 227.352 1.602 30 50 BDEA CC#CC(=O)NC[C@]1(CF)CC12CCOCC2 1875373030 SBCAWUPUKGUGDA-CYBMUJFWSA-N 239.290 1.282 30 50 BDEA COC(=O)C1(C#N)Cc2ccccc2C1 97756849 CXFJFNRSHKNAGB-UHFFFAOYSA-N 201.225 1.468 30 50 BDEA N#Cc1nccnc1-c1cccc(C(=O)O)c1 534648642 MTVHBGLTKONZIK-UHFFFAOYSA-N 225.207 1.713 30 50 BDEA CC[C@H]1CN(/C(=N/C)NC)CCS1 170693051 FQGVQVGNLWFYJN-QMMMGPOBSA-N 201.339 1.019 30 50 BDEA CCN(CC)CCCN1CCC(C#N)CC1 170607393 SVMDVFHVVFKKMB-UHFFFAOYSA-N 223.364 1.954 30 50 BDEA CNCc1cncc(B2OC(C)(C)C(C)(C)O2)c1 200995849 URMJAMCUJUXTQW-UHFFFAOYSA-N 248.135 1.100 30 50 BDEA in-vitro O=C([C@@H]1CO1)N1CCC[C@@H](Oc2ccccc2)C1 1875372436 GFGWRKWSLRUCSQ-OLZOCXBDSA-N 247.294 1.455 30 50 BDEA CCCN(CC(C)(C)O)c1nc(C)cc(C#N)n1 287992538 VGMWRKCKRLWPAQ-UHFFFAOYSA-N 248.330 1.644 30 50 BDEA CCOC(=O)C[n+]1c(C)cc(C)cc1C 4671216 VDNQHHRQLXZAOP-UHFFFAOYSA-N 208.281 1.462 30 50 BDEA CC1(C)OB(c2ccc(CO)cc2N)OC1(C)C 170006539 DENSCZYUVRVCAC-UHFFFAOYSA-N 249.119 1.060 30 50 BDEA N#C[C@@]1(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CCSC1 136640613 ASYIJGSVHNTXBK-KQXIARHKSA-N 248.351 1.714 30 50 BDEA CN(C)/C=C1\CN(Cc2ccccc2)CCC1=O 72406672 ALNLRGKJASPTJG-SDNWHVSQSA-N 244.338 1.907 30 50 BDEA COc1cc2c(cc1F)CN(CC#N)CC2 335804301 AQEFFQXNICFYQX-UHFFFAOYSA-N 220.247 1.716 30 50 BDEA CCN1C2=CC(=NC(C)=O)C=CC2=S=C1C 334157245 XUSVAJZEFCGKGB-UHFFFAOYSA-N 234.324 1.819 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/O)[C@H]4[C@@H]13 245231833 JWHDYBQMUQNNIA-JKYORPNMSA-N 206.245 1.569 30 50 BDEA CC(C)(C)OC(=O)NCC1CC2(CO2)C1 114116981 UDINOKCFFMMAML-UHFFFAOYSA-N 213.277 1.690 30 50 BDEA O=[N+]([O-])c1ccc(/C=N/N2CCOCC2)cc1 435180 VODPJLLJWGLMKI-FMIVXFBMSA-N 235.243 1.261 30 50 BDEA C/N=C(/NC(=S)N(C)C)c1ccccc1 4160008 QWWCEYOPFDUQPY-UHFFFAOYSA-N 221.329 1.499 30 50 BDEA N#CC1(N)CCN(Cc2ccccc2)CC1 21953475 GKFZBGLUEBXSBF-UHFFFAOYSA-N 215.300 1.503 30 50 BDEA in-vitro C=CCC[C@H]1NC(=O)CCN(CC(C)C)C1=O 1875311074 MADKROCTDGLWNQ-LLVKDONJSA-N 238.331 1.326 30 50 BDEA COc1c(F)cccc1-n1ncc(C#N)c1N 147190115 HYUWMGXBKYHEHC-UHFFFAOYSA-N 232.218 1.474 30 50 BDEA N#Cc1cc(N2CCC[C@H]2CF)ccn1 292734833 IIQNDPXOWSDNJG-NSHDSACASA-N 205.236 1.892 30 50 BDEA C=C1CC(C)(C(=O)N2CC(OC(F)F)C2)C1 632669812 WJAOXYRKSSETRW-UHFFFAOYSA-N 231.242 1.793 30 50 BDEA C=C[C@@H](C)[C@H](N[S@@](=O)C(C)(C)C)C(=O)O 1857794358 LKFAJBSAIXZFTJ-KUTMEBCESA-N 233.333 1.314 30 50 BDEA N#CCC(=O)NCCOc1cncc(Cl)c1 579462335 JDDSCMHCZDWEJF-UHFFFAOYSA-N 239.662 1.144 30 50 BDEA N/C(=N\O)c1ccc(NC(=O)c2ccco2)cc1 18121890 DXBHCLHURSQRPO-UHFFFAOYSA-N 245.238 1.626 30 50 BDEA COc1ccc(CCNCCC#N)cc1OC 2577763 ADBWWKCONMODJQ-UHFFFAOYSA-N 234.299 1.750 30 50 BDEA N#C[C@H]1CCC[C@H]1NCc1nc(C2CC2)no1 241139499 JRMFBPNVHLUBPV-NXEZZACHSA-N 232.287 1.729 30 50 BDEA C=CCNC(=O)c1ccc(-c2cn[nH]c2)cc1 32581036 ZDEDRULMUFZSFY-UHFFFAOYSA-N 227.267 1.993 30 50 BDEA CN(O)C(=O)c1coc2ccccc2c1=O 71773392 ZMBXPEANUKFXJV-UHFFFAOYSA-N 219.196 1.254 30 50 BDEA CN(C)CC#CC[C@@H](O)C(Cl)(Cl)Cl 96027529 XJFULSVVEBEZQN-SSDOTTSWSA-N 244.549 1.673 30 50 BDEA COc1nccc(C#N)c1Br 263623360 GUCAFOYDLDXDDV-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA CC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 170618856 QJQXONMXSBOGSW-SSDOTTSWSA-N 206.249 1.152 30 50 BDEA in-vitro CC[C@@H](CC#N)NCc1cn(C(C)(C)C)nn1 189953568 RWDZYLBYJRWEMM-JTQLQIEISA-N 235.335 1.815 30 50 BDEA COCC(C)(C)CNC(=O)c1ccc(C#N)nc1 343516948 JXDFMPVFVMOCRH-UHFFFAOYSA-N 247.298 1.356 30 50 BDEA C=CCSc1nc2c(c(=O)[nH]1)CCC2 8844207 XGMUVDJYUQVTPM-UHFFFAOYSA-N 208.286 1.537 30 50 BDEA CC1=C2C(=O)c3ccccc3[C@H]2NC(=O)N1 4050673 HBUKOEJGNRDGLW-SNVBAGLBSA-N 214.224 1.511 30 50 BDEA COP(=O)(C[C@@H](CCC#N)CC(=O)O)OC 5915149 HWSUEGNBBNSWBQ-QMMMGPOBSA-N 249.203 1.867 30 50 BDEA CC[C@@](C)(C#CCN1CCOCC1)OC(C)=O 19594283 YECHVTLCUNZBBX-ZDUSSCGKSA-N 239.315 1.054 30 50 BDEA CCC(F)(F)CN=C1N[C@H](C)[C@@H](C)N1 1776003716 FOCPUFRXWQHLNA-RNFRBKRXSA-N 205.252 1.358 30 50 BDEA Cn1cc(C#N)c(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)n1 333904493 ULDVSDWJVJJXTR-ATZCPNFKSA-N 244.298 1.666 30 50 BDEA C=CCn1c(SCCC)nc(O)cc1=O 8580133 OQXUWRFMVQKUHR-UHFFFAOYSA-N 226.301 1.637 30 50 BDEA COCCNC(C)=C1C(=O)c2ccccc2C1=O 105542816 AUIDPFZGPVEMHC-UHFFFAOYSA-N 245.278 1.576 30 50 BDEA C[C@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)nc1 133816711 IHCXAKUJIUUOJO-ZWNOBZJWSA-N 247.298 1.559 30 50 BDEA CC#CCNc1ccc2ccn(C)c(=O)c2c1 253415876 MYWWLULECPAKDV-UHFFFAOYSA-N 226.279 1.974 30 50 BDEA CS(=O)(=O)c1cccc2nc(CC#N)[nH]c12 130247439 IDNUJIMGHKQKHF-UHFFFAOYSA-N 235.268 1.032 30 50 BDEA CC1(C)OB(c2cc(F)cnc2F)OC1(C)C 169747761 YAMDNBNPGRWGIW-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCOC[C@H]1C#N 39957289 QSBSEJKNKHZYKD-MRVPVSSYSA-N 212.249 1.146 30 50 BDEA in-vitro N=C(N)N/C(N)=N/c1cc(Cl)cc(Cl)c1 4370978 BUXACHZAYWAZJL-UHFFFAOYSA-N 246.101 1.423 30 50 BDEA in-vivo CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 849422229 SLRDLHUFNPHKSS-ZDUSSCGKSA-N 229.283 1.485 30 50 BDEA C#CCN(Cc1c(C)cnn1C)C1CSC1 864097380 USUCEVDYZRJXAQ-UHFFFAOYSA-N 235.356 1.279 30 50 BDEA C#CCC[C@H](O)CN[C@@H]1CCC[C@H](C)C1 309112772 KGNJDLUITLAMPE-XQQFMLRXSA-N 209.333 1.929 30 50 BDEA CC#CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 277349662 HVSJGTLQPDOLSZ-JTQLQIEISA-N 247.294 1.904 30 50 BDEA N#CC1(NC(=O)c2ncoc2-c2ccon2)CC1 598822057 WLLKXZBBPKVTBU-UHFFFAOYSA-N 244.210 1.116 30 50 BDEA CCOc1ccccc1OCC#CCNC 16622213 KPRPJIKQZIKFNH-UHFFFAOYSA-N 219.284 1.687 30 50 BDEA O=C(/C=C\c1cccnc1)c1cc[n+]([O-])cc1 4531825 QQCQONCBZQJMQO-ARJAWSKDSA-N 226.235 1.611 30 50 BDEA CC#CC(=O)NCCCc1cn2ccccc2n1 1875378404 BYQZXCZYYVAYPJ-UHFFFAOYSA-N 241.294 1.406 30 50 BDEA C=C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2583196 BYHZVVBUNVWRGH-LURJTMIESA-N 201.222 1.150 30 50 BDEA O/N=C1/C[C@@](O)(C(F)(F)F)Oc2ccccc21 4567722 UUGOBBSNVJGXCI-VUPJLDGMSA-N 247.172 1.898 30 50 BDEA C=CCC[C@H](O)CN1CC[C@H]2CCN(C)C[C@H]21 328586877 XTHKWFARLYXNLP-HZSPNIEDSA-N 238.375 1.340 30 50 BDEA C[C@H]1C[C@@]1(C#N)C(=O)Nc1cncc(F)c1 334813104 XKPWKGKUYNWBGY-CPCISQLKSA-N 219.219 1.709 30 50 BDEA CC1(C)OB(c2cccc3c2CCN3)OC1(C)C 220856532 NDIUBXIMEYQUFM-UHFFFAOYSA-N 245.131 1.954 30 50 BDEA Cc1cnc(CN2CCC(C)(C#N)CC2)[nH]1 600148968 VSUFKQIEMQITLL-UHFFFAOYSA-N 218.304 1.844 30 50 BDEA CC#CC(=O)NC1(C2CC2)CCOCC1 1321739687 WOODPTRUINLQDH-UHFFFAOYSA-N 207.273 1.085 30 50 BDEA C[C@H](O)[C@H]1CCN(c2cnccc2C#N)C1 161854646 AUWLJCJOCQJXFD-ONGXEEELSA-N 217.272 1.160 30 50 BDEA CCc1nsc(NCc2cncc(C#N)c2)n1 952993888 SZXBDDISBKHCNJ-UHFFFAOYSA-N 245.311 1.979 30 50 BDEA CCOC(=O)c1ccc(NC(=O)C#N)cc1 101018549 ZNMAUVIAHPTOLV-UHFFFAOYSA-N 218.212 1.325 30 50 BDEA COC(OC)c1c(/C=N\O)ccnc1Cl 100002329 JTNFUKQAQOCFIE-XGICHPGQSA-N 230.651 1.835 30 50 BDEA Cc1cnc(B2OC(C)(C)C(C)(C)O2)c(N)c1 170006118 ZRAZARZTXVJXIP-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA C=C/C(O)=N/Cc1cccc(-n2cncn2)c1 328600564 YRLAPLZKTIBPIB-UHFFFAOYSA-N 228.255 1.910 30 50 BDEA CS(=O)(=O)O[C@@H]1CC2CC(CCC1=O)C2 43198750 SXTMMYHCPLACLT-SFVIPPHHSA-N 232.301 1.110 30 50 BDEA CC(C)(C)OC(=O)c1c(N)c(C#N)c2n1CCC2 96511556 VAUBLRPKJGIVBW-UHFFFAOYSA-N 247.298 1.843 30 50 BDEA COc1ccc(CN(C)CC#CCO)cc1 91692313 LSSFXVOCKFXXFO-UHFFFAOYSA-N 219.284 1.123 30 50 BDEA in-vitro CN(C)Cc1ccc(C/N=C(/N)NC2CC2)cc1 170610526 KWZVCNGAOZEJTI-UHFFFAOYSA-N 246.358 1.315 30 50 BDEA C=CCCC1(CNC(=O)C#CC)CCOCC1 1875369770 GHYFFRCGWKQGCE-UHFFFAOYSA-N 235.327 1.889 30 50 BDEA Cc1cc(CN(C)C[C@H]2C[C@H]2C#N)no1 888096453 VPBQZCOGPVPRNP-VHSXEESVSA-N 205.261 1.575 30 50 BDEA CC(=O)Nc1cccc(N(CCO)CCC#N)c1 2163500 ITCQFSOCCFSHHU-UHFFFAOYSA-N 247.298 1.357 30 50 BDEA CC(=O)C[n+]1cccc2cccc(O)c21 2810097 VNHRMJCPKROILA-UHFFFAOYSA-O 202.233 1.422 30 50 BDEA C=CCONC(=O)Nc1ccc([N+](=O)[O-])cc1 4009374 IVEVOAHZZRUWLO-UHFFFAOYSA-N 237.215 1.834 30 50 BDEA C=CCn1cnc2sc(C(N)=O)c(C)c2c1=O 4383931 DIUCBYAJOGBEQF-UHFFFAOYSA-N 249.295 1.051 30 50 BDEA N#C[C@@]1(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CCSC1 136640695 ASYIJGSVHNTXBK-ZPFDUUQYSA-N 248.351 1.714 30 50 BDEA CCO/C(=C/C(=O)C(F)(F)F)N(C)C 79387637 ATQHPZYOGKZLFG-FNORWQNLSA-N 211.183 1.557 30 50 BDEA C=C/C(O)=N/C[C@@H](Cc1cnn(C)c1)C(=N)O 328599901 UHOYFPURHKUMNY-SECBINFHSA-N 236.275 1.257 30 50 BDEA C=C(CC(=O)NCc1ccccc1)C(=O)O 71774344 BKRSMSSGRBVDAO-UHFFFAOYSA-N 219.240 1.334 30 50 BDEA N#Cc1ccc(N[C@H]2CCC[C@H]2CO)cn1 195535355 AXDWQTMGFVEAHG-CABZTGNLSA-N 217.272 1.526 30 50 BDEA N#Cc1ccc(C(=O)OC[C@@]2(F)CCOC2)[nH]1 810922183 FHPYFIYRJMOQFJ-LLVKDONJSA-N 238.218 1.172 30 50 BDEA N#CCc1ccc(C(F)(F)F)[nH]c1=O 204373861 JJRXNHCIQNWNST-UHFFFAOYSA-N 202.135 1.460 30 50 BDEA CC#CC(=O)N[C@@H]1CCOC[C@H]1CC(C)C 1875379164 NYPYNMZMNTZQPX-VXGBXAGGSA-N 223.316 1.577 30 50 BDEA Cc1ccoc1CN=C1N[C@H]2CCC[C@@H]2N1 1776004815 YFAUVVNJUYPDEN-UWVGGRQHSA-N 219.288 1.558 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccc(OCC)cc1 2892232 IVOGYMQNWYOYLD-UHFFFAOYSA-N 248.282 1.326 30 50 BDEA O/N=C(C(=N/O)/c1ccco1)\c1ccco1 100012850 RBOZTFPIXJBLPK-WGDLNXRISA-N 220.184 1.929 30 50 BDEA C#CCCCOc1cc(C(=O)O)ccn1 263624845 UQRRYFWDJBFXGW-UHFFFAOYSA-N 205.213 1.572 30 50 BDEA C#CCN1C(=O)CC2(CCCC2)CC1=O 41654652 PSFYTQQKPKMRLG-UHFFFAOYSA-N 205.257 1.329 30 50 BDEA in-vitro CC#CC(=O)NC[C@](C)(O)c1cccs1 277693909 NWHKRTDCLJTOEK-NSHDSACASA-N 223.297 1.095 30 50 BDEA Cc1ccc(C(=O)/C=C2\NC(=O)CS2)cc1 12471878 ZGIJKZYGSYAKFQ-WUXMJOGZSA-N 233.292 1.882 30 50 BDEA N#C[C@H](Cc1ccc2c(c1)OCO2)C(=O)O 19730252 KPXHBQWNZBGRMO-QMMMGPOBSA-N 219.196 1.182 30 50 BDEA N#CC1(NC(=O)c2cncc(F)c2)CCC1 268298321 XALCBAQNSQYSMJ-UHFFFAOYSA-N 219.219 1.397 30 50 BDEA N#Cc1cccnc1N1CCC[C@@H]2CNCC[C@@H]21 715017607 LMCLFDUTUUTXSD-OLZOCXBDSA-N 242.326 1.532 30 50 BDEA C=CCN[C@@H]1CC(=O)N(c2ccccc2)C1=O 2837783 CNXQNTDKFOACKP-LLVKDONJSA-N 230.267 1.094 30 50 BDEA N#Cc1ccc(NC[C@]2(CCO)CCOC2)nc1 131654289 HNYCLHMXHQNJHR-ZDUSSCGKSA-N 247.298 1.154 30 50 BDEA C#CC1(OC[C@H](O)CN(C)C)CCCCC1 16650839 MDBNHHSYQAVGHZ-GFCCVEGCSA-N 225.332 1.262 30 50 BDEA CC#CC(=O)NC[C@@H]1C(F)(F)C12CCOCC2 1875370183 FHQCXQZTSZLEJB-VIFPVBQESA-N 243.253 1.188 30 50 BDEA O=C1CC[C@H](Cc2cccc(OC[C@H]3CO3)c2)O1 1875379494 RJAYKMUMXYMKBZ-OLZOCXBDSA-N 248.278 1.712 30 50 BDEA Cc1n[nH]cc1C(=O)N1CCC[C@@](C)(C#N)C1 612368124 AHPKAOZZITYTNY-LBPRGKRZSA-N 232.287 1.484 30 50 BDEA Cc1nnc(C)n1/N=C/c1cccs1 135493 OOBOGZBXNBQPQH-UXBLZVDNSA-N 206.274 1.839 30 50 BDEA COC(=O)C/N=C/c1ccc(OC)cc1 3091593 VBEIMDCNFQCLNL-KPKJPENVSA-N 207.229 1.287 30 50 BDEA COC(=O)/C(=C\N(C(C)C)C(C)C)[N+](=O)[O-] 100435136 SAIMAKSRFFGABX-RMKNXTFCSA-N 230.264 1.396 30 50 BDEA CCCC(=O)/C(=C/N(C)C)C(=O)OCC 138323494 SJQPDMAJOTXKPI-HJWRWDBZSA-N 213.277 1.364 30 50 BDEA C/N=C1/S[C@@H](Cc2ccccc2)[C@@H](O)N1C 4759813 SQWBXSNKPBAHFQ-MRMLYHJQSA-N 236.340 1.581 30 50 BDEA N#Cc1cnn(CCN2CCc3ccccc32)c1 265410954 DYKYHAYRCJLMFU-UHFFFAOYSA-N 238.294 1.817 30 50 BDEA C=CC(=O)N[C@@H]1CCc2c(C#N)cccc21 1875374688 CSDVACSBCIRSIL-GFCCVEGCSA-N 212.252 1.848 30 50 BDEA CC#CC(=O)NC1CC2(CCC(CO)CC2)C1 1875370252 HXGKHPIOLZCGSS-UHFFFAOYSA-N 235.327 1.457 30 50 BDEA N#Cc1cc(F)ccc1N[C@H]1C[C@@H](O)C1 295393194 RCNGSXRZHUOCFO-AOOOYVTPSA-N 206.220 1.633 30 50 BDEA O=C(C[n+]1ccncc1)c1ccc(F)cc1 1666154 CJFYKSCSUDSRCF-UHFFFAOYSA-N 217.223 1.391 30 50 BDEA NC(=O)[C@]12O[C@@]1(Cl)CCCC2(Cl)Cl 1763390 RJDOGZFPFXYFDM-NKWVEPMBSA-N 244.505 1.534 30 50 BDEA NC(=O)C[n+]1ccc(Cc2ccccc2)cc1 3130535 DJDKMOWVJULSKE-UHFFFAOYSA-O 227.287 1.050 30 50 BDEA O=C(O)C(F)(F)C(F)(F)OC(F)(F)F 4566295 AGIMOOYNBDLMJV-UHFFFAOYSA-N 230.035 1.836 30 50 BDEA in-vitro C#CCn1c([C@@H](C)NC=O)nc2ccccc21 4810136 VAXOEHFQLOJRKP-SNVBAGLBSA-N 227.267 1.477 30 50 BDEA COc1cc2c(=O)c(C#N)c[nH]c2cc1F 31777230 BOQICIDBVOCNQA-UHFFFAOYSA-N 218.187 1.547 30 50 BDEA C#CCn1ccc(O)c(Cc2ccccc2)c1=O 5624547 VMEUMBSFEHWEMB-UHFFFAOYSA-N 239.274 1.778 30 50 BDEA C=C(C(=O)OC)[C@H](O)c1ccc(OC)cc1 38293687 RUCJNHNMQXTVOS-NSHDSACASA-N 222.240 1.458 30 50 BDEA C#CCN(C)S(=O)(=O)c1ccc(C)cc1 130756903 DQMSNFFZKULPDM-UHFFFAOYSA-N 223.297 1.249 30 50 BDEA N#CCN1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 245344185 XYRRUBICRUDGPH-RWMBFGLXSA-N 219.332 1.316 30 50 BDEA Cc1nc(CNC(=O)c2cc(C#N)c[nH]2)cs1 610489993 XFCBLIOIWONHJF-UHFFFAOYSA-N 246.295 1.581 30 50 BDEA COC(=O)c1ccc2c(c1)C=C(C(C)=O)CO2 675082176 VKZQTVVTNQLXHZ-UHFFFAOYSA-N 232.235 1.838 30 50 BDEA CCOC(=O)/C=C/C(=O)c1ccccc1 2167059 ACXLBHHUHSJENU-CMDGGOBGSA-N 204.225 1.989 30 50 BDEA in-vitro CC(C)(NC(=O)[C@H]1CO1)c1cccc(C#N)c1 1875373202 WBZVAUJQTZYTEI-LLVKDONJSA-N 230.267 1.308 30 50 BDEA C=C(C)CN1CCNC(=O)[C@@H]1c1ccccc1 156298065 BMVMTDWJTXATKH-ZDUSSCGKSA-N 230.311 1.736 30 50 BDEA C[C@@]1(F)CCN(c2ccc(C#N)cn2)C1 335915911 RSEGHCXEEXKHLA-LLVKDONJSA-N 205.236 1.892 30 50 BDEA CN1C2=CC(=O)CCN2c2ccccc21 196659 OTMHCCHJEGXKKF-UHFFFAOYSA-N 200.241 1.757 30 50 BDEA CCOC(=O)/C(C(=O)c1ccccc1)=C(\C)NC 100160134 IBIHXWUTZPVTLH-ZRDIBKRKSA-N 247.294 1.926 30 50 BDEA N#Cc1cnc(N[C@H]2C[C@@H](O)C2)c(Cl)c1 295434170 VAKWNHAYXQTFBJ-OCAPTIKFSA-N 223.663 1.542 30 50 BDEA CC[C@@H](Oc1ccccc1)C(=O)NCC#N 2735220 CKMRAIOCSNXWKX-LLVKDONJSA-N 218.256 1.484 30 50 BDEA N#Cc1cn(CC(=O)O)c2ccccc12 336425 ABOATQKEOFCUPN-UHFFFAOYSA-N 200.197 1.598 30 50 BDEA in-vitro N#Cc1cccn(-c2ccc(F)cc2)c1=O 16159467 HXOAMKBZUPAIPT-UHFFFAOYSA-N 214.199 1.848 30 50 BDEA in-vitro C=C[C@](C)(C#CCN(CC)CC)OC(C)=O 2490224 QPHFRNWTVQESHU-CYBMUJFWSA-N 223.316 1.839 30 50 BDEA C=CCNC(=O)COc1ccc(C)cc1C 2816275 XVPOONBSQQWNAM-UHFFFAOYSA-N 219.284 1.984 30 50 BDEA CN1CCN(c2ccc(C#N)cc2F)CC1 4818956 TXBCSFIRHCCWJE-UHFFFAOYSA-N 219.263 1.449 30 50 BDEA O=C1/C(=C/c2cccnc2)N2CCC1CC2 79870 QCIUVDYZQNETIG-WQLSENKSSA-N 214.268 1.717 30 50 BDEA CN(C)C(=NCC[S@@](=O)C(C)(C)C)N(C)C 241383296 MUAXYZZRVBLQMO-MRXNPFEDSA-N 247.408 1.013 30 50 BDEA C=CCn1c(N)nnc1SC[C@@H](C)OC 180955513 CXIYUJCOGJRYDI-SSDOTTSWSA-N 228.321 1.173 30 50 BDEA C=C(C)C[C@H](NC(=O)c1cc(C)on1)C(=O)O 630316467 COZUANRLDIPONF-VIFPVBQESA-N 238.243 1.132 30 50 BDEA CC1(C)OB(c2cccc(O)c2)OC1(C)C 169743288 MUKIFYQKIZOYKT-UHFFFAOYSA-N 220.077 1.691 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1[C@@H](C=O)COC1(C)C 56978 PNJXYVJNOCLJLJ-QMMMGPOBSA-N 229.276 1.557 30 50 BDEA biogenic,in-vitro CCCCCC(=O)N[C@H](C#N)[C@@H]1CCOC1 1875363321 YFQYJGXBUDMTEG-GHMZBOCLSA-N 224.304 1.612 30 50 BDEA CC#CC(=O)NCc1c[nH]nc1-c1ccccc1 1875376822 JNTPLLCBMHWJTQ-UHFFFAOYSA-N 239.278 1.716 30 50 BDEA C[C@H](C#N)C(=O)N1CC(F)(F)C(F)(F)C1 313285176 BTAKYGMFVOWWJY-RXMQYKEDSA-N 224.157 1.259 30 50 BDEA N#Cc1cnn(-c2nc3ccccc3s2)c1N 81243 QNGNVSDIXHKKFH-UHFFFAOYSA-N 241.279 1.936 30 50 BDEA CC(=O)O[C@H](C)CC#CCN1CCCCC1 2493667 WZOIIPDVJDPOLC-GFCCVEGCSA-N 223.316 1.817 30 50 BDEA CC(=O)c1cnc2nc(SCC#N)nn2c1C 4992892 HHKYUJLESXAXGQ-UHFFFAOYSA-N 247.283 1.251 30 50 BDEA C#CCOc1ccc(C(=O)N(C)C)cc1 6743313 IJYFTJCVUKUHRV-UHFFFAOYSA-N 203.241 1.400 30 50 BDEA C=CCn1nnc(NC(=O)c2ccc(F)cc2)n1 10010705 RQDCWPUQLILTNH-UHFFFAOYSA-N 247.233 1.251 30 50 BDEA CC#CCN1CC=C(C[C@H](C)NC(=O)CC)CC1 67967415 DFVZUVSOMMIDQE-ZDUSSCGKSA-N 248.370 1.947 30 50 BDEA CC1(C)CC(=O)c2cnc3c(C#N)cnn3c2C1 1393374 FRMNGYHWYCWVDS-UHFFFAOYSA-N 240.266 1.756 30 50 BDEA N#CC1(C(=O)N[C@@H]2CC[C@H](F)C2)CCC1 336401249 GTRDZEXIMIHQOX-DTWKUNHWSA-N 210.252 1.687 30 50 BDEA Cc1n[nH]cc1B1OC(C)(C)C(C)(C)O1 169743765 MSJAEFFWTBMIKT-UHFFFAOYSA-N 208.070 1.017 30 50 BDEA in-vitro Cc1ccc(CN=C(N(C)C)N(C)C)cc1 4829660 DPYNBGWSDJWAME-UHFFFAOYSA-N 219.332 1.974 30 50 BDEA COCC#CCSc1nc2cncnc2[nH]1 681364459 LVCDDAJBKQXCSE-UHFFFAOYSA-N 234.284 1.095 30 50 BDEA C=C[C@H]1OCC[C@@H]1NC(=O)c1cccc(OC)c1 1614578004 KAONYRPBFAVDKJ-QWHCGFSZSA-N 247.294 1.769 30 50 BDEA Nc1ccc(/C=C/C(=O)c2ccc[n+]([O-])c2)cc1 5248888 JNFAZYWKKWXYRG-VMPITWQZSA-N 240.262 1.798 30 50 BDEA Cc1ccc(C(=O)C[N+]23CCN(CC2)CC3)cc1 5387254 VLUSPPVXZNKWSI-UHFFFAOYSA-N 245.346 1.324 30 50 BDEA C#CC(C)(C)OC[C@H](O)CN1CCC[C@H](C)C1 16578558 QBIWSPOTLCNNAA-QWHCGFSZSA-N 239.359 1.508 30 50 BDEA CC#CC(=O)N[C@H]1c2cccc(F)c2O[C@H]1C 1875363215 GTWWQHFQJSMNSX-QPUJVOFHSA-N 233.242 1.787 30 50 BDEA C=C[C@@H](O)CSCCN(CC)CC 2173420 JMRCTLPPBZMTGE-SNVBAGLBSA-N 203.351 1.608 30 50 BDEA COC(=O)/C(=C\C=C\C=C\N(C)C)C(C)=O 49635351 VVQGSCBTXLTXFI-WTPDQDIPSA-N 223.272 1.306 30 50 BDEA CC#CC(=O)N(CCC#N)[C@@H](C)C1CC1 1875363168 YDPVOQOMWJFWQY-JTQLQIEISA-N 204.273 1.550 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccc([N+](=O)[O-])cc1 228481 FUESRGWXHWQCPX-KPKJPENVSA-N 245.242 1.685 30 50 BDEA CN(C)c1ccc(/C=N/n2cnnc2)cc1 242663 YDHQRSFAZYRBTA-VGOFMYFVSA-N 215.260 1.226 30 50 BDEA CN1CCN(/N=C/c2cccs2)CC1 19681315 OWVOIJTVPASQAB-PKNBQFBNSA-N 209.318 1.329 30 50 BDEA CC(C)C[C@H]1CN(c2nccnc2C#N)CCO1 670459260 MGUPEDPKGRMZKH-NSHDSACASA-N 246.314 1.600 30 50 BDEA CCNc1nc(ON=C(C)C)nc(N(C)C)n1 99006 WHYGFLPJEPVZRD-UHFFFAOYSA-N 238.295 1.144 30 50 BDEA N#Cc1ncn(Cc2csc(Cl)c2)n1 307159613 UUZWMDPZFDQOHQ-UHFFFAOYSA-N 224.676 1.913 30 50 BDEA COc1ccc(-c2noc(CC#N)n2)c(OC)c1 73641247 RKKAFIJZMBCGSM-UHFFFAOYSA-N 245.238 1.820 30 50 BDEA CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 335688340 JPMSBMLZCCWUNI-RYUDHWBXSA-N 222.288 1.460 30 50 BDEA CC1(C)OB(c2cccc(C#N)c2F)OC1(C)C 169935918 BDIHSSFYJYXWRV-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro FC(F)(F)[C@H]1CN/C(=N/Cc2ccccc2)N1 1775994038 QMHPJHXASUHDAY-SECBINFHSA-N 243.232 1.666 30 50 BDEA COC(=O)c1cc(OC)cc(C)c1C#N 16698148 JJKRBBVZOOUCFC-UHFFFAOYSA-N 205.213 1.662 30 50 BDEA in-vitro C/[N+]([O-])=C\CC(=O)c1ccc([N+](=O)[O-])cc1 5184752 QUBIWEXDYPAGHX-YRNVUSSQSA-N 222.200 1.379 30 50 BDEA N#Cc1nn(-c2ccccc2)c(N)c1C#N 245069 MGULYLNXXBGXJR-UHFFFAOYSA-N 209.212 1.198 30 50 BDEA CCOC(=O)[C@H]1C(=O)N(O)C[C@@H]1c1ccccc1 3997634 UHYXCQUAAGEZRX-GHMZBOCLSA-N 249.266 1.181 30 50 BDEA CS(=O)(=O)O/N=C1\CCCc2ccccc21 5746733 JKPRYLNCYFMBBM-VAWYXSNFSA-N 239.296 1.703 30 50 BDEA N#Cc1ccc(N2CCNCC2)cc1F 39953796 GDWPXCGQYKBZHW-UHFFFAOYSA-N 205.236 1.107 30 50 BDEA C=CCCS(=O)(=O)Nc1cnoc1C 132572433 YYKONZJARJSLFI-UHFFFAOYSA-N 216.262 1.301 30 50 BDEA C[C@H](CN1CCCC1=O)Nc1ccc(C#N)nc1 176828274 YDEXCFCGMCDFJO-SNVBAGLBSA-N 244.298 1.376 30 50 BDEA C[C@H](C(=O)NCc1ccnc(C#N)c1)C1CC1 1568547192 YYDDZJNCAPCVMA-VIFPVBQESA-N 229.283 1.616 30 50 BDEA CCc1nsc(NCc2ccnc(C#N)c2)n1 1612335878 LGYUVCABFWFDJD-UHFFFAOYSA-N 245.311 1.979 30 50 BDEA COc1ccc(/C=N/OC(C)=O)c(OC)c1 290455 VIDHDRWDUGREKV-KPKJPENVSA-N 223.228 1.601 30 50 BDEA COc1ccc([C@@H](C)NC(=O)CC#N)cc1 34404905 ULLRLUHVSBEXDY-SECBINFHSA-N 218.256 1.786 30 50 BDEA in-vitro O=C([C@@H]1CO1)N1CCC[C@](F)(c2ccccc2)C1 1875372792 MOEXDKVVGKZDPZ-GXTWGEPZSA-N 249.285 1.873 30 50 BDEA C=C1CC(CN=C2N[C@@H]3CCC[C@H]3N2)C1 1776004400 RBZQXQXXFZDEJH-GHMZBOCLSA-N 205.305 1.423 30 50 BDEA C/C(NCCc1ccccc1)=C1/C(=O)COC1=O 101153609 MGVGVRDKQZIZPR-JLHYYAGUSA-N 245.278 1.219 30 50 BDEA CCCC[N+]1C(=O)C(=NO)c2ccccc21 343516955 OPIMLFBBSVDBFH-UHFFFAOYSA-N 218.256 1.977 30 50 BDEA c1ccc([C@H]2OC[C@H]3OC[C@H]4O[C@H]4[C@@H]3O2)cc1 95495863 BYKNJRIVJRIKQC-VEGXAWMVSA-N 234.251 1.267 30 50 BDEA in-vitro C=C[C@](C)(CC)C(=O)NCc1ncn(C)n1 188750691 NGAFFDWGKKESBJ-LLVKDONJSA-N 222.292 1.034 30 50 BDEA CC#CC(=O)N1CCO[C@](CC)(C(F)(F)F)C1 1875366290 OUTUPGJFWWVFIY-JTQLQIEISA-N 249.232 1.580 30 50 BDEA N#Cc1cccc(NC(=O)CCC(=O)O)c1 142990 HPTIFFLVYOBDQB-UHFFFAOYSA-N 218.212 1.362 30 50 BDEA COC(=O)[C@@]12C=CC(=O)C[C@@H]1CCCCC2=O 71786836 KFWGXZLHRBKPRR-ZANVPECISA-N 236.267 1.434 30 50 BDEA C=CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 176484303 ZTMWNHDPAUPDKF-NXEZZACHSA-N 223.320 1.097 30 50 BDEA N#Cc1ccc(C(=O)C(=O)O)c(C(F)(F)F)c1 725261693 CLGGMHDBTPKXKJ-UHFFFAOYSA-N 243.140 1.844 30 50 BDEA C#C[C@@H](CO)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 408522744 CUZIIVAJMMJNRC-JTQLQIEISA-N 248.238 1.203 30 50 BDEA N#CCC(=O)NCc1nc2ccccc2o1 169934023 WMTQSZHINSUSCC-UHFFFAOYSA-N 215.212 1.358 30 50 BDEA C#C[C@@H](CO)NCc1ccc(Cl)s1 585117042 PTBWAQZUFRRMKE-ZETCQYMHSA-N 215.705 1.485 30 50 BDEA O=C(C[n+]1ccncc1)c1ccc([N+](=O)[O-])cc1 5894155 ITZPMNRBYUIXLW-UHFFFAOYSA-N 244.230 1.160 30 50 BDEA C=CCN(CC=C)N(CC=C)CCC(=O)O 19168545 VYABUWHDRFLCCN-UHFFFAOYSA-N 224.304 1.538 30 50 BDEA C=CC(=O)Nc1nc(Cl)ccc1/C=N/O 1775997630 NBPZUOJUBLGZTM-VZUCSPMQSA-N 225.635 1.668 30 50 BDEA O=C(OCc1ccccc1)/C(Cl)=N/O 102315592 DJQOAGXKANQNJN-FLIBITNWSA-N 213.620 1.756 30 50 BDEA CC1CC(N/C(O)=N/[C@H]2CCCOCC2)C1 329230456 KAKOLYREZIGMQI-YVNMAJEFSA-N 226.320 1.858 30 50 BDEA C=CCN(C)C(=O)c1ccnc(NC)c1 65398687 YWYGYEKGPLXMJQ-UHFFFAOYSA-N 205.261 1.381 30 50 BDEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1n[nH]c(N)n1 71753823 XZBIIMGTMLCERP-RKDXNWHRSA-N 247.302 1.122 30 50 BDEA CC(C)c1ncc2c(n1)CC[C@H](C=O)C2 238172510 MPDKAQDJBPBXBU-VIFPVBQESA-N 204.273 1.904 30 50 BDEA C=C(C)CN[C@H](CC(N)=O)C1CCCCC1 182019879 WVTQCEWUOODHNY-GFCCVEGCSA-N 224.348 1.976 30 50 BDEA CS(=O)(=O)[C@H](C#N)C(=O)C1CCCCC1 721137028 XAHWFHBMNVSYIC-SECBINFHSA-N 229.301 1.073 30 50 BDEA CC(C)(C)CCCNCCCNC(=O)/C=N\O 12381444 SCPAUWNZLPIFAN-GDNBJRDFSA-N 243.351 1.369 30 50 BDEA N/C(=N/O)c1ccc(F)cc1C(F)(F)F 167709816 OKMSDQFYSBNVAK-UHFFFAOYSA-N 222.141 1.939 30 50 BDEA O=C1N(Cc2ccccc2)C/C(=N\O)C12CC2 202037495 IIEDFFXQMZVILI-SDNWHVSQSA-N 230.267 1.639 30 50 BDEA CC1=NO[C@@H](CNCc2cccc(C#N)c2)C1 585117236 VWGAFHVZECRVRN-CYBMUJFWSA-N 229.283 1.813 30 50 BDEA N#Cc1cccc(C2(NC(=O)[C@H]3CO3)CCC2)c1 1875373200 WAHZYQCNYIDXTL-GFCCVEGCSA-N 242.278 1.452 30 50 BDEA C=CCOc1cccc(C(=O)NCCOC)c1 4869300 GMJNXULMHBLNPF-UHFFFAOYSA-N 235.283 1.628 30 50 BDEA CCOc1ccc2nc(N=C(N)N)sc2c1 85389208 XGFZXBGVFWQHBH-UHFFFAOYSA-N 236.300 1.600 30 50 BDEA C#C[C@]1(O)C[C@@H](c2ccccc2)N(C)C[C@@]1(C)O 226804396 CCFDMNFFOBENMZ-ZNMIVQPWSA-N 245.322 1.179 30 50 BDEA N#Cc1cccc2c1C(=O)NC1(CCCC1)N2 90567880 IROLGSVICKCBJQ-UHFFFAOYSA-N 227.267 1.984 30 50 BDEA in-vitro C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C#N)cn1 191896353 TWOJWLPYTBSBIG-MWLCHTKSSA-N 245.282 1.707 30 50 BDEA CCOCCC1(C(=O)NCC#N)CCCC1 331084857 ZJLKLCLOMMLIHP-UHFFFAOYSA-N 224.304 1.613 30 50 BDEA COCCN(CCOC)c1cc(C#N)cc(C)n1 160987306 DONGTWDNIGBWMH-UHFFFAOYSA-N 249.314 1.361 30 50 BDEA N#Cc1cc2c(nc1SCC(N)=O)CCCC2 11535926 JDWPEAXQIACTHB-UHFFFAOYSA-N 247.323 1.409 30 50 BDEA C=CCNC(=O)COc1ccc([N+](=O)[O-])cc1 2849786 WAFGBRNEXQJJGS-UHFFFAOYSA-N 236.227 1.276 30 50 BDEA COc1cc(C#N)ccc1Cn1ccnn1 128026969 DEBGDFQDAMJFBG-UHFFFAOYSA-N 214.228 1.207 30 50 BDEA N#CC1(c2ccc(O)cc2)CCOCC1 149174335 CXGROXURTMZSEK-UHFFFAOYSA-N 203.241 1.964 30 50 BDEA CCCOc1ccc(C/N=C(\N)NC)c(C)c1 189696747 IDLNKUKFGPSJOU-UHFFFAOYSA-N 235.331 1.818 30 50 BDEA Cc1nonc1/N=C/c1ccccc1O 3088859 KKXRCFFPGVTIEY-IZZDOVSWSA-N 203.201 1.834 30 50 BDEA COCc1c(C#N)c(O)nc(C)c1[N+](=O)[O-] 9058910 FDZPYSHPLURJEA-UHFFFAOYSA-N 223.188 1.022 30 50 BDEA N#C[C@H]1COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 247713117 LGWJBMGGSJVWDB-NNYUYHANSA-N 234.299 1.174 30 50 BDEA N#Cc1c[nH]c(C(=O)N[C@H]2C=CCCC2)c1 176673628 AXXRQIAUROIDOO-JTQLQIEISA-N 215.256 1.725 30 50 BDEA COc1cccc(C#N)c1OC[C@H]1CO1 602993618 QPQFUKCQEZJXOZ-SECBINFHSA-N 205.213 1.344 30 50 BDEA CN(C)/C=N/C(=N)NC(=O)OC(C)(C)C 1772716071 NDDYZHKLCXUEMP-IZZDOVSWSA-N 214.269 1.036 30 50 BDEA C[C@H](O)[C@@H]1CCN(c2ccc(C#N)nc2)C1 165853364 CGMRLXYKUHAGAO-VHSXEESVSA-N 217.272 1.160 30 50 BDEA C[C@@H](CCO)Nc1ccc(C#N)cc1CO 828741421 BNJIGIMASFTWMF-VIFPVBQESA-N 220.272 1.233 30 50 BDEA C/C(O)=N/c1nc(-c2ccncc2)n[nH]1 758935 ZHGOSYQRLVAIOJ-UHFFFAOYSA-N 203.205 1.475 30 50 BDEA CC(C)c1cc(C(=O)N(C)[C@@H](C)C#N)on1 602422581 GLQDNCDFWBAXOU-QMMMGPOBSA-N 221.260 1.782 30 50 BDEA CC1(C)OB(C2=CCCOC2)OC1(C)C 196787877 ABXRLUFQGNZBME-UHFFFAOYSA-N 210.082 1.965 30 50 BDEA N#Cc1cc(I)ccn1 12471698 BGDBXTAJJAFSGO-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA in-vitro C#CC[C@@H](O)c1ccccc1[C@H](O)CC#C 1617875 XBBNTCTUWOYKJA-ZIAGYGMSSA-N 214.264 1.800 30 50 BDEA C=CCOc1cccc(C(=O)Nn2cnnc2)c1 4842833 WLHCEHRUCMQXTJ-UHFFFAOYSA-N 244.254 1.227 30 50 BDEA C=C[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O 6692424 MFZPVVWDHKXMOL-WOPDTQHZSA-N 206.241 1.648 30 50 BDEA Cc1nnc(C)n1/N=C\c1ccc(F)cc1 5034502 IUMBIJDXPDSNNO-QPEQYQDCSA-N 218.235 1.916 30 50 BDEA CC(=O)C(=CNc1ccc(C)cn1)C(C)=O 15959946 ZDPFWVQRSGNSFH-UHFFFAOYSA-N 218.256 1.864 30 50 BDEA CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 301277048 MKXORATVZKOUAI-UHFFFAOYSA-N 244.298 1.012 30 50 BDEA C=CCS(=O)(=O)c1cccc([N+](=O)[O-])c1 315713 DFHPXMHXPTWWHK-UHFFFAOYSA-N 227.241 1.555 30 50 BDEA C[C@](C#N)(Cc1ccccc1)NC(N)=O 2518810 OXNUEFUYPRBBBQ-LLVKDONJSA-N 203.245 1.180 30 50 BDEA C#CCN(CC#N)C(=O)Cc1ccccc1OC 252488855 JAPLLVRGJXLADL-UHFFFAOYSA-N 242.278 1.223 30 50 BDEA C[C@@H](/N=C(\O)OCc1ccccc1)C(=O)O 82067835 TYRGLVWXHJRKMT-MRVPVSSYSA-N 223.228 1.590 30 50 BDEA in-vitro CC1(C)OB(c2ccc(N)c(N)c2)OC1(C)C 169743576 SVUDHDDKOKWBNK-UHFFFAOYSA-N 234.108 1.150 30 50 BDEA in-vitro CCOC(=O)[C@@H](C#N)C(=S)Nc1ccccn1 3121869 QKQNKXIZVDRTQF-QMMMGPOBSA-N 249.295 1.524 30 50 BDEA CCOC(=O)Nc1snc(C)c1C#N 26475946 LAUBIZYDCJAKOB-UHFFFAOYSA-N 211.246 1.892 30 50 BDEA CC[C@@](C)(C#CCN1CCCC1)OC(C)=O 52911 NLETVZCVZIVNST-ZDUSSCGKSA-N 223.316 1.817 30 50 BDEA C#C[C@H](NC(=O)NCc1cncc(C)c1)C(C)C 252507235 WFHMPKBMYIQVAF-ZDUSSCGKSA-N 245.326 1.847 30 50 BDEA CCOC(=O)[C@@H](C#N)c1cc(OC)cc(OC)c1 35287629 BQUAJJHYTZRNHV-LBPRGKRZSA-N 249.266 1.874 30 50 BDEA CCCCN/C(N)=N/C(=O)c1ccccc1 71784933 KHAVDGWUKZDWMT-UHFFFAOYSA-N 219.288 1.531 30 50 BDEA CO[C@H]1C[C@H](C=O)N(C(=O)OC(C)(C)C)C1 209500370 XAIXKICCDVTSDD-BDAKNGLRSA-N 229.276 1.210 30 50 BDEA in-vitro C=C(C)CN1CCN(CCCn2ccnc2)CC1 1506403172 WONUEMYYDXQAIJ-UHFFFAOYSA-N 248.374 1.467 30 50 BDEA CC(C)[C@H]1OCC[C@@H]1CN=c1ccc(C#N)n[nH]1 328611210 KQELVXILFWMRAN-ZWNOBZJWSA-N 246.314 1.243 30 50 BDEA CN(CCC(=O)O)C(=O)C1(C#N)CCCCC1 818413242 CPJAJLHGKMCTPX-UHFFFAOYSA-N 238.287 1.394 30 50 BDEA Cc1cnn(-c2ccc(OC[C@@H]3CO3)cc2)c1 1875379808 XKLZJUHNPYMACX-CYBMUJFWSA-N 230.267 1.958 30 50 BDEA CCOc1ccc(C(=O)N(CC#N)CC#N)cc1 101400 ZYFLYIHIQLNHIF-UHFFFAOYSA-N 243.266 1.575 30 50 BDEA c1ccc([C@H]2OC[C@H]3OC[C@@H]4O[C@@H]4[C@@H]3O2)cc1 22056742 BYKNJRIVJRIKQC-FHUSYTEZSA-N 234.251 1.267 30 50 BDEA in-vitro N#Cc1ccc(F)c(Br)n1 95616368 QWTMUISIEIYTKS-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA in-vitro C#CCN(C)C(=O)COc1cc(C)ccc1F 191054995 OGWXGHNZXWMXBC-UHFFFAOYSA-N 235.258 1.605 30 50 BDEA COC(=O)c1ccc(OC[C@H]2CO2)cc1C 1875378594 HIJJYLKAIASKLT-JTQLQIEISA-N 222.240 1.559 30 50 BDEA C=CCOc1ccccc1OCC(=O)O 31773422 GMLTWIWHRHGZJA-UHFFFAOYSA-N 208.213 1.715 30 50 BDEA in-vitro C=CC(=O)N[C@H](COC)c1cccc(C#N)c1 1875367421 XIRCOFUCPMQHEO-GFCCVEGCSA-N 230.267 1.548 30 50 BDEA C=CCN(C)C(=O)c1ccn([C@@H]2CCCNC2)n1 262370204 LNTCRSUMEQVTIZ-LLVKDONJSA-N 248.330 1.066 30 50 BDEA CCOc1cc(/C=N/O)cc([N+](=O)[O-])c1O 4819741 ALHAIRVVIBXYHP-BJMVGYQFSA-N 226.188 1.507 30 50 BDEA C=CCn1nc(C(=O)O)c2ccccc2c1=O 10483047 JDOPGVCKRBDVHG-UHFFFAOYSA-N 230.223 1.281 30 50 BDEA N#Cc1ccnc(N2CCC(C(=O)O)CC2)c1 22174927 HCFJWQIXCLWACM-UHFFFAOYSA-N 231.255 1.254 30 50 BDEA C=CCN(CCc1ccccc1)C(=O)[C@H](C)N 155689593 AYNOABZAJFZPOB-LBPRGKRZSA-N 232.327 1.591 30 50 BDEA NC(=O)c1cccc2c1-c1ccccc1/C2=N/O 4574751 YEPGCANJRYLSJC-SSZFMOIBSA-N 238.246 1.993 30 50 BDEA CC(=O)c1ccc(NN=C(C#N)C#N)cc1 272274 CALHPSDTGPNZIJ-UHFFFAOYSA-N 212.212 1.704 30 50 BDEA N#Cc1cccc(C2(N)CCOCC2)c1 407986053 BIGIVBXJEHJPFR-UHFFFAOYSA-N 202.257 1.523 30 50 BDEA COc1ccccc1N1CCN(CC#N)CC1 19512603 CMNAMTJQXKKSGP-UHFFFAOYSA-N 231.299 1.341 30 50 BDEA C=C[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O 5631409 MFZPVVWDHKXMOL-GRYCIOLGSA-N 206.241 1.648 30 50 BDEA C#CCCC1(CCC(=O)N[C@H]2CCN(C)C2)N=N1 952883407 WVQRPIBVCUQQHE-NSHDSACASA-N 248.330 1.162 30 50 BDEA C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccn2)CO1 408403304 AMVFCMAERZUPHQ-WCBMZHEXSA-N 231.255 1.317 30 50 BDEA CCOC(=O)C1=C(C)S/C(=C\N(C)C)C1=O 2942582 GEXJJNBTMNBSOH-VURMDHGXSA-N 241.312 1.542 30 50 BDEA C#CCN(CC#N)C(=O)[C@@H](C)Oc1ccccc1 225601898 OLMBAGYSKKGCGE-GFCCVEGCSA-N 242.278 1.439 30 50 BDEA O=C1C(=C2C=CNC=C2)C(=O)c2ccccc21 100005755 RFJVOUZINWUTIG-UHFFFAOYSA-N 223.231 1.993 30 50 BDEA C#CCOc1ccc(/C=C/[N+](=O)[O-])cc1 3765181 VPSGWNSHLGZFII-BQYQJAHWSA-N 203.197 1.946 30 50 BDEA CC1(C)CC(=O)C2=C(C1)O[C@@H]1OC(=O)C[C@]21C 4108629 QPOSCSLQBMCJNX-DGCLKSJQSA-N 236.267 1.939 30 50 BDEA CC(C)(C)OC(=O)N1CC2(C[C@@H](C#N)CO2)C1 91304666 BHFLELXWSBJKPH-VIFPVBQESA-N 238.287 1.536 30 50 BDEA in-vitro C[C@H](NCC(C)(C)C(N)=O)c1ccc(C#N)cc1 195558810 XTCHXWGHCKAIAE-JTQLQIEISA-N 245.326 1.720 30 50 BDEA C=C(C)C(=O)Nc1ccc(O)cc1C(=O)O 36338 VDZJQLIVYMDZGS-UHFFFAOYSA-N 221.212 1.605 30 50 BDEA biogenic C=CCNC(=O)c1ccc2c(c1)OCO2 1845280 DCGRVDRVJLOBOB-UHFFFAOYSA-N 205.213 1.331 30 50 BDEA COC(=O)c1cc2occc2n1C[C@H]1CO1 2531948 KPCBGSKAJBPGBU-ZETCQYMHSA-N 221.212 1.420 30 50 BDEA C=CCNC(=O)/C=C/c1nc2ccccc2n1C 2812348 XPPCKDLEJVHAKO-CMDGGOBGSA-N 241.294 1.889 30 50 BDEA C=CCN(Cc1ccccn1)Cc1ncc[nH]1 65410310 KBYTVHZBBZEWPV-UHFFFAOYSA-N 228.299 1.993 30 50 BDEA C[C@H]1CN(C(=O)NCCC#N)C[C@H](C2CC2)O1 335881126 GHIKCNMSZWKNMF-GXSJLCMTSA-N 237.303 1.109 30 50 BDEA CC[C@]1(CO)CCCN(c2ncccc2C#N)C1 32513770 ZURFUXGLALCICG-AWEZNQCLSA-N 245.326 1.942 30 50 BDEA C=CCN(CC=C)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 236436803 CLLHTTSGXVEEHF-WDEREUQCSA-N 237.299 1.688 30 50 BDEA C#CC[C@H](C)NC(=O)NCCCSCC 241132915 JNDIMBFTANIIIA-JTQLQIEISA-N 228.361 1.841 30 50 BDEA CC#CC(=O)NC[C@H]1OCc2ccccc21 1351035702 FQZDGXGZNXYBGF-GFCCVEGCSA-N 215.252 1.397 30 50 BDEA O/N=C/c1ccc(N2CCCC2)nc1F 100002379 JQAZDWJJXUPEHW-KPKJPENVSA-N 209.224 1.629 30 50 BDEA in-vitro C#CCN(C)Cc1nnc(C2CC2)n1C1CC1 170611971 KVLMLQDOKXOCIX-UHFFFAOYSA-N 230.315 1.555 30 50 BDEA C=C[C@@H](C)NC(=O)N[C@H](CO)Cc1ccccc1 153835742 HRLAEKNYNMLSSS-YPMHNXCESA-N 248.326 1.464 30 50 BDEA COc1ccc(Cl)cc1NC(=O)/C=N/O 4219017 PQBVQTQRUFZFOI-VZUCSPMQSA-N 228.635 1.747 30 50 BDEA in-vitro C=CCN1C2=NC(=O)CN2c2ccccc21 4003580 UMUGSZILCFLVTO-UHFFFAOYSA-N 213.240 1.395 30 50 BDEA C=CCn1nnc(NC(=O)c2ccc(C)cc2)n1 10010690 GFUYWBOQTGDBPN-UHFFFAOYSA-N 243.270 1.420 30 50 BDEA CN(C)CCNCCCOc1ccccc1C#N 20418789 VURQMZWBHOAIMQ-UHFFFAOYSA-N 247.342 1.478 30 50 BDEA N#CCc1ccc(O)nc1C(F)(F)F 238715154 MEKHYVPZFNCTIB-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA CC#CC[C@H](CO)NC[C@@H]1CCSC1 585118517 RUAKIDQKVHBNKY-WDEREUQCSA-N 213.346 1.103 30 50 BDEA O=S(OCC(F)(F)F)OCC(F)(F)F 5411115 HVNOLEGWKGMONA-UHFFFAOYSA-N 246.128 1.723 30 50 BDEA N#Cc1cc([C@@H](O)[C@@H]2CCCNC2)ccc1F 1857779948 HCVAQRQWNLLIBV-ZWNOBZJWSA-N 234.274 1.730 30 50 BDEA C=CC[C@]1(CO)CCCN(c2cccnn2)C1 91646096 GHPYEHCBJFCBEA-ZDUSSCGKSA-N 233.315 1.632 30 50 BDEA N#Cc1ccc(OCCCN2CCOCC2)cc1 20639665 SBCPMTIGBPCIGI-UHFFFAOYSA-N 246.310 1.659 30 50 BDEA O/N=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 253393460 SVFZGSIUSSQSRE-OQUSJDDESA-N 204.229 1.035 30 50 BDEA Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1 169743412 GNUDAJTUCJEBEI-UHFFFAOYSA-N 222.097 1.326 30 50 BDEA in-vitro CC1(C)OB(c2ccc(F)nc2F)OC1(C)C 169745919 CLDFZDCZPCIBKO-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA in-vitro Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1 169983768 SKHNRJKSLVTZJH-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA in-vitro C=CCN(C(=O)C#C[C@H]1CCCOC1)C1CC1 1615590690 ODZDVJNZWGQYFH-GFCCVEGCSA-N 233.311 1.593 30 50 BDEA CC#CC(=O)NC[C@H](O)c1c(F)cccc1F 801172718 UUAVKFXIXYMXHZ-JTQLQIEISA-N 239.221 1.138 30 50 BDEA CCN1CCN(c2ccc(C#N)cc2)CC1 19867726 CNSQSHZWGWNQAW-UHFFFAOYSA-N 215.300 1.700 30 50 BDEA in-vitro CC1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 19423806 OZOHJPOTJVYPGE-UHFFFAOYSA-N 243.266 1.389 30 50 BDEA CC1(C)OB([C@@]23CNCC[C@H]2C3)OC1(C)C 1857780537 OTOHJSZLZNMDBT-CABZTGNLSA-N 223.125 1.832 30 50 BDEA CN1CCC[C@@H](NC(=O)[C@@H]2CO2)c2ccccc21 1875372760 MGWKQJHGMITILX-YPMHNXCESA-N 246.310 1.473 30 50 BDEA N#CCN(CC#N)C(=O)CSc1ccccc1 302794 RALYXMDYEVCHAM-UHFFFAOYSA-N 245.307 1.654 30 50 BDEA C[Si](C)(C)C#CCN=c1nc[nH]cc1C#N 585132683 LERLQXSBRZKFOX-UHFFFAOYSA-N 230.347 1.063 30 50 BDEA CN(c1ccccc1)[C@@H]1CCN(C(=O)CC#N)C1 598379491 VCRQRVHPLRLVJS-CYBMUJFWSA-N 243.310 1.637 30 50 BDEA CC1(C)CNC(=O)[C@@H]1NCc1cccc(C#N)c1 585117333 YQVNTVZXWMLABT-LBPRGKRZSA-N 243.310 1.172 30 50 BDEA CC#CCN(C)C1=NC[C@@H]2CC[C@H](C)CN12 2325801437 IHXICGFBHALRDY-RYUDHWBXSA-N 219.332 1.412 30 50 BDEA CC#CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 801267190 CHUOGNKOYQXELN-UHFFFAOYSA-N 233.315 1.689 30 50 BDEA CN/C(N)=N/C(=O)c1cc(Cl)ccc1OC 19912508 DCLZJDIQGVTYBD-UHFFFAOYSA-N 241.678 1.023 30 50 BDEA Cc1cnc(B2OC(C)(C)C(C)(C)O2)cn1 169794603 OCSJKXYKWMVZNJ-UHFFFAOYSA-N 220.081 1.084 30 50 BDEA C[C@H]1C[C@H](C(=O)O)CN(c2cnccc2C#N)C1 263286389 YBRIIUVNUQQKDQ-ONGXEEELSA-N 245.282 1.500 30 50 BDEA Cc1cc(N=C2C=CC(=O)C=C2)c(N)cc1N 4787084 HAXAVAPYQCRUSA-UHFFFAOYSA-N 227.267 1.927 30 50 BDEA N#CCNC(=O)c1cc(-c2ccc(F)cc2)on1 135516140 BFKDXZQBUJOAPR-UHFFFAOYSA-N 245.213 1.734 30 50 BDEA COc1ccc2c(c1)NC(=O)C[C@@H]2C#N 96300843 KCZDGDWURFYGIW-SSDOTTSWSA-N 202.213 1.645 30 50 BDEA CC[C@@H](C)[C@H](O)CNc1nccnc1C#N 264810305 OTARKVQIIWTIQB-PSASIEDQSA-N 220.276 1.167 30 50 BDEA Cc1ccnc(N2CC(CF)C2)c1C#N 334580399 OFIHYUWWJAMVIV-UHFFFAOYSA-N 205.236 1.667 30 50 BDEA C[C@@](O)(C#C[C@@H](O)c1cccs1)C1CC1 200832 MFICLTOGKFDEHB-ZYHUDNBSSA-N 222.309 1.946 30 50 BDEA COc1ccccc1-c1ccc(C#N)c(=O)[nH]1 38478112 BUSZQHDWBAPALC-UHFFFAOYSA-N 226.235 1.922 30 50 BDEA CC(C)(C)OC(=O)N1CCCC[C@H]1/C(N)=N/O 40555402 XZCPIKZHYXKFQO-QMMMGPOBSA-N 243.307 1.522 30 50 BDEA CN1C(=O)[C@@]2(C)C[C@@](C)(C#N)N2c2ccccc21 252533126 FXIHRMMKOYBUIQ-UONOGXRCSA-N 241.294 1.914 30 50 BDEA CC1(C)OB(c2ccnn2C2CCC2)OC1(C)C 253496164 OJTMHQQLNFCWDW-UHFFFAOYSA-N 248.135 1.907 30 50 BDEA C(=N/N=C\c1cccnc1)c1cccnc1 1501044368 OOXNKQISMJMZRH-HDGREHCUSA-N 210.240 1.930 30 50 BDEA Cc1ccc(C)c(NC(=O)C/C(N)=N/O)c1 12447241 MACPJTPZMCWMEN-UHFFFAOYSA-N 221.260 1.378 30 50 BDEA CC1(C)OB(c2ccc3c(c2)NCC3)OC1(C)C 169809857 HCQAFJWIZVXINA-UHFFFAOYSA-N 245.131 1.954 30 50 BDEA C#CCOC(=O)c1ccccc1C(=O)O 2132627 BEWCAUPONZLPFD-UHFFFAOYSA-N 204.181 1.175 30 50 BDEA CCC[C@@H]1Cc2[nH]c(=O)c(C#N)cc2CO1 9066965 DFZLVDRZKMKTHD-SNVBAGLBSA-N 218.256 1.488 30 50 BDEA biogenic COC[C@@H](C)NC=C1C(=O)CC(C)(C)CC1=O 100443688 LGOOPCQPDVEBEK-SECBINFHSA-N 239.315 1.453 30 50 BDEA C=C/C(O)=N/C[C@]1(O)C[C@@H](OCC)C1(C)C 328598496 MHDNERPWQFDYBE-BXKDBHETSA-N 227.304 1.695 30 50 BDEA CN(CC#N)C(=O)C1(C2CC2)CCOCC1 334431296 VZXJEERPPNGRKK-UHFFFAOYSA-N 222.288 1.175 30 50 BDEA N#C[C@@]1(CO)CCN(Cc2ccccc2)C1 91305018 QRYMNVQUHVGPCK-ZDUSSCGKSA-N 216.284 1.395 30 50 BDEA in-vitro N#CC[C@@](O)(c1ncco1)C(F)(F)F 1772716046 KYUMJOACFMSDLH-ZCFIWIBFSA-N 206.123 1.338 30 50 BDEA COC(=O)CCB1OC(C)(C)C(C)(C)O1 169904477 SWDXLJYTYJQFJI-UHFFFAOYSA-N 214.070 1.642 30 50 BDEA in-vitro Fc1cc(OC[C@H]2CO2)cnc1Cl 1857777711 UKOMQRQFDIJTRM-LURJTMIESA-N 203.600 1.652 30 50 BDEA COc1ccc(Cn2ccnn2)cc1C#N 128042271 AJJMYVOSFHGWHY-UHFFFAOYSA-N 214.228 1.207 30 50 BDEA O/C(CCc1nc[nH]n1)=N/[C@H]1CC=CCC1 330231437 DZGDMQFWLKAYRV-VIFPVBQESA-N 220.276 1.803 30 50 BDEA CC1(C)OB(c2ccc(O)cc2)OC1(C)C 169743289 BICZJRAGTCRORZ-UHFFFAOYSA-N 220.077 1.691 30 50 BDEA in-vitro N#CCNC(=O)COc1ccc(Cl)cc1 2993184 JBULQRMNALGGLV-UHFFFAOYSA-N 224.647 1.359 30 50 BDEA COc1cc(NC(=O)CS)cc(OC)c1 4756646 JPBVBXYAXLUKKO-UHFFFAOYSA-N 227.285 1.572 30 50 BDEA CC1(C)COB(c2ccccc2C=O)OC1 169807913 BJRXNDLMZZAOAB-UHFFFAOYSA-N 218.061 1.267 30 50 BDEA CC1(C)OB([C@H]2COCCO2)OC1(C)C 238175927 LBYNRZXPAOCFGY-MRVPVSSYSA-N 214.070 1.033 30 50 BDEA Cc1ccc(C(=O)NCC#N)cc1[N+](=O)[O-] 4616544 APMDHEVKFLPWNI-UHFFFAOYSA-N 219.200 1.157 30 50 BDEA NC(N)=Nc1nc(-c2ccccc2)cs1 8925720 GENKQMMVXFFZPC-UHFFFAOYSA-N 218.285 1.715 30 50 BDEA biogenic O=C(O)C1=CN=C2C3=NC=CC[C@@H]3C=C[C@H]2C1=O 64858385 TVBAVFFTADCWKG-HTQZYQBOSA-N 242.234 1.139 30 50 BDEA in-vitro C=CCSCC(=O)N1CC[C@H]2CC[C@@H](C1)N2 65372520 VKOISVUINNLEOA-MNOVXSKESA-N 240.372 1.259 30 50 BDEA CC(=O)OCCC#CCN1CCCCC1 2902677 VLMMQGRPIBKSNL-UHFFFAOYSA-N 209.289 1.429 30 50 BDEA C=C(C)CNC(=O)NCCC1CCN(C)CC1 156697652 KXDLKAKKNBXICY-UHFFFAOYSA-N 239.363 1.594 30 50 BDEA CC#CC(=O)N1C[C@@H](C)Cc2cccc(O)c21 1875367581 RLODMVGSKWALPI-JTQLQIEISA-N 229.279 1.941 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccccc1O 228443 DUUOXPADSZEWGD-KPKJPENVSA-N 216.244 1.483 30 50 BDEA N=C(N/N=C\c1ccccc1O)c1ccccn1 4982415 XMLSHZXAQSNJAG-SXGWCWSVSA-N 240.266 1.736 30 50 BDEA COC(=O)[C@@H](/C=N\Cc1ccccc1)[C@H](C)O 102319634 OFNMIRBEECJQRU-GXVCAMFNSA-N 235.283 1.427 30 50 BDEA C=C/C(O)=N/Cc1c2c(nn1C)CCCC2 328600700 YZWRPPWEHOPEIO-UHFFFAOYSA-N 219.288 1.941 30 50 BDEA C[C@@H]1C[C@@H]1N/C(O)=N/Cc1noc(C2CC2)n1 328940711 SPHIKPLKSNJGFA-SVRRBLITSA-N 236.275 1.359 30 50 BDEA C[C@]1(C#N)CCCN(Cc2c[nH]nc2C(=O)O)C1 670452152 NBKGTTBCMMCFLS-GFCCVEGCSA-N 248.286 1.234 30 50 BDEA CC1(C)OB(c2ccc(CN)s2)OC1(C)C 203807418 VLUVVVWTGJCKHN-UHFFFAOYSA-N 239.149 1.506 30 50 BDEA C=CCOC(=O)C(F)(F)Br 16082658 YHYZVEQMOASHNH-UHFFFAOYSA-N 214.993 1.703 30 50 BDEA in-vitro CCc1cccc2c1CCN(C(=O)[C@@H]1CO1)C2 1875372501 HEGRGOBCGFDJIT-ZDUSSCGKSA-N 231.295 1.533 30 50 BDEA C=CCNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1604340 SLRAUCUDDYGPJP-DTWKUNHWSA-N 211.261 1.180 30 50 BDEA C=CCNC(=O)[C@@H]1COc2ccccc2O1 2048214 PNMWAHCSBXANLU-NSHDSACASA-N 219.240 1.129 30 50 BDEA Cc1cc(C)c(S(=O)(=O)NCC#N)c(C)c1 2766285 IGJHNPIPTAJZNY-UHFFFAOYSA-N 238.312 1.414 30 50 BDEA CCOc1cc(N)c(C#N)cc1OCC 1235056 RSBNAILPKCDZBJ-UHFFFAOYSA-N 206.245 1.938 30 50 BDEA N#Cc1cscc1C(=O)NCC(F)F 335714118 XPOKXWOLZOSFMS-UHFFFAOYSA-N 216.212 1.615 30 50 BDEA C=CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 176484318 ZTMWNHDPAUPDKF-VHSXEESVSA-N 223.320 1.097 30 50 BDEA Cc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1 169905088 HECOEAIIOZQGFO-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA in-vitro N#CCC(=O)N1CCN(c2ccccc2)CC1 800343 ALISXWJRKBXOHC-UHFFFAOYSA-N 229.283 1.249 30 50 BDEA in-vitro O=C(N[C@H]1CCCc2c(F)cccc21)[C@@H]1CO1 1875372562 IFEYZGDPZGUCAM-RYUDHWBXSA-N 235.258 1.718 30 50 BDEA CC1(C)OB(c2nc(C=O)cs2)OC1(C)C 170005559 AIEADVIAVCDVFP-UHFFFAOYSA-N 239.105 1.255 30 50 BDEA CC(C)(C)OC(=O)N1CCOC[C@]2(CO2)C1 148851267 FRFINYDYCUOIEK-NSHDSACASA-N 229.276 1.023 30 50 BDEA CC[C@@H](CC#N)NC(=O)[C@@H]1CCCc2[nH]ncc21 183812591 FHDCOQZZXJMGMU-VHSXEESVSA-N 246.314 1.638 30 50 BDEA CC1(C#N)CCN(Cc2c[nH]nc2C(=O)O)CC1 670446880 VXBHKPTYWGNDQB-UHFFFAOYSA-N 248.286 1.234 30 50 BDEA CCNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 169904964 QZSWEVVTXWRLLI-UHFFFAOYSA-N 249.123 1.208 30 50 BDEA in-vitro C[C@@H](C=O)NC(=O)OCc1ccccc1 36438796 XTXJPZGMVKIPHE-VIFPVBQESA-N 207.229 1.500 30 50 BDEA in-vitro C=CCC[C@@](C)(O)C#CCN1CCCC1 5018175 ACQCAVWFFUDTTE-CYBMUJFWSA-N 207.317 1.803 30 50 BDEA O=CC1CCN(C(=O)c2ccccc2)CC1 11974755 FXFCQBKRSKWLPE-UHFFFAOYSA-N 217.268 1.738 30 50 BDEA COc1cccc2[nH]cc(/C(N)=N/O)c12 14807514 OOTQHCLCBNLXNJ-UHFFFAOYSA-N 205.217 1.271 30 50 BDEA N/C(=N\C(=O)c1ccccc1)NCc1ccco1 15978505 MCSITUVFCIPKPG-UHFFFAOYSA-N 243.266 1.524 30 50 BDEA C=CCn1c(SCC2(C)COC2)n[nH]c1=N 336688238 VSQHERYNHRMKLB-UHFFFAOYSA-N 240.332 1.005 30 50 BDEA CCOC(=O)[C@@H](C#N)C(=O)c1ccc(N)cc1 51012 KKXODNXRKUAVRF-JTQLQIEISA-N 232.239 1.154 30 50 BDEA Cc1nc2c(C#N)cnn2c2c1CCS2 6921903 MJAZVWJOQANGLF-UHFFFAOYSA-N 216.269 1.558 30 50 BDEA CO[C@@H]1CN(C(=O)[C@@H](C)C#N)CC[C@H]1C 299914254 FDYXKTTZTAUIGU-KXUCPTDWSA-N 210.277 1.029 30 50 BDEA C=CC(=O)NCc1ccc(OC)c(C#N)c1 1356521831 ZKEDJGAKEDZZGD-UHFFFAOYSA-N 216.240 1.369 30 50 BDEA COc1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 169794128 BMIBJCFFZPYJHF-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA in-vitro Cc1c(C#N)cncc1B1OC(C)(C)C(C)(C)O1 306378697 UAHADQFHTFLYJY-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA COc1ccccc1B1O[C@@H](C)CC(C)(C)O1 169806788 ALOLSCLBNZSAMC-JTQLQIEISA-N 234.104 1.994 30 50 BDEA in-vitro CC#CCNC(=O)Nc1ccc(C(=O)OC)cc1 170600046 YYYZRKZCVWBUKR-UHFFFAOYSA-N 246.266 1.618 30 50 BDEA C=CC[C@]1(C(=O)OCC)CCN(C(=O)C#CC)C1 1875369988 UOSWPEWWKYLYRZ-AWEZNQCLSA-N 249.310 1.368 30 50 BDEA CC#CC(=O)N[C@H](C)CCc1ccncc1 1875370547 SWSNSFJIUUNSQK-LLVKDONJSA-N 216.284 1.542 30 50 BDEA CC#CCN(C)C1=NC[C@@H]2CC[C@@H](C)CN12 2325801435 IHXICGFBHALRDY-NEPJUHHUSA-N 219.332 1.412 30 50 BDEA N#Cc1c[nH]ccc1=NC(=O)[C@@H](F)CC1CC1 2325771285 XBYCOSYIOCNFTG-JTQLQIEISA-N 233.246 1.452 30 50 BDEA O=C(C[n+]1ccsc1)c1ccccc1 1891282 IBDBVEYUXOTRAO-UHFFFAOYSA-N 204.274 1.919 30 50 BDEA CC(C)Cc1nsc(NCC#CCO)n1 285567222 JOZJXHSAADIMFM-UHFFFAOYSA-N 225.317 1.144 30 50 BDEA C=C[C@]12CCC(=O)N1[C@@H](C(C)(C)C)OC2=O 221437210 BTUAJNQTKSSATQ-BXKDBHETSA-N 223.272 1.463 30 50 BDEA CC(=O)/C(=N\O)C(=O)Nc1ccccc1C 5711743 MNKDAXBSEYKHQN-JLHYYAGUSA-N 220.228 1.353 30 50 BDEA N#Cc1ccc(N2CCC[C@@H](C(=O)O)C2)cc1 12954432 SFCZUCPTDYRUIK-LLVKDONJSA-N 230.267 1.859 30 50 BDEA CS(=O)(=O)N/N=C/c1ccc(Cl)cc1 431885 XNRJXZDKZYVSRO-UXBLZVDNSA-N 232.692 1.223 30 50 BDEA O/C(=N/Cc1nc(O)n[nH]1)C1[C@@H]2CCC[C@@H]12 330158083 PTNVKAPXRWMVLA-PHDIDXHHSA-N 222.248 1.013 30 50 BDEA COc1ccccc1C(=O)/C=C/N(C)C 38917001 WKNJWYUQADHZSM-CMDGGOBGSA-N 205.257 1.953 30 50 BDEA CC[C@@H](C#CCN1CCCC1)OC(C)=O 5718978 YRNXVBXBPUBIEI-LBPRGKRZSA-N 209.289 1.427 30 50 BDEA C=CC[C@]1(COC(N)=O)COC(C)(C)C1 71773781 LGECOUVPUMXADZ-NSHDSACASA-N 213.277 1.843 30 50 BDEA Cc1c(C#N)c(N(C)CCO)nc2ccccc12 295433773 MRBUBRCTUGZYMV-UHFFFAOYSA-N 241.294 1.843 30 50 BDEA N#Cc1cnn(-c2ccccc2F)c1N 2582024 JJKQJLDSHKDCAM-UHFFFAOYSA-N 202.192 1.465 30 50 BDEA in-vitro Cc1ccc(O)c(B2OC(C)(C)C(C)(C)O2)c1 201818452 QUYCGOSWQMOXCJ-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA in-vitro COc1ccccc1NC(=O)CSCC#N 1806657 MKAKIEINVIKKPH-UHFFFAOYSA-N 236.296 1.890 30 50 BDEA N#Cc1ccccc1C[C@H]1CN[C@H](C(=O)O)C1 4241460 LMXYNNZXNRORJH-SKDRFNHKSA-N 230.267 1.163 30 50 BDEA C=CCN(Cc1ccc(C)s1)C[C@@H](O)CO 55211399 CFCCPOKVIKECJD-LLVKDONJSA-N 241.356 1.398 30 50 BDEA COc1cccc([C@H]2C[C@H](O)CN2CC#N)c1 282217895 OUEQGGZTUAVNAJ-WCQYABFASA-N 232.283 1.326 30 50 BDEA N#Cc1ccc(CN2C[C@@H](F)C[C@H]2CO)o1 334301241 WZLOUVLWBTZOKB-IUCAKERBSA-N 224.235 1.056 30 50 BDEA C=CC[C@@]1(CO)CCCN(CCCOC)C1 91645496 MOAFODMDARJARL-CYBMUJFWSA-N 227.348 1.674 30 50 BDEA C[Si](C)(C)C#Cc1ccc2c(n1)OCC(=O)N2 169794256 FRBGNSZWKAUYEJ-UHFFFAOYSA-N 246.342 1.641 30 50 BDEA in-vitro C#CCN/C(=N/C)NCC[C@H](OCC)C(C)C 170651897 BCUVKECWLYZFER-LBPRGKRZSA-N 239.363 1.236 30 50 BDEA O=C(/C=N/O)Nc1cccc(Br)c1 97015 ORVVNXAFZBVFMP-BJMVGYQFSA-N 243.060 1.848 30 50 BDEA CCOc1ccc(/C=N/Nc2nnn[nH]2)cc1 5247634 SWTMCFMAKAHICQ-YRNVUSSQSA-N 232.247 1.044 30 50 BDEA N#Cc1nc2c(nc1C#N)-c1ccccc1C2=O 308566 HUWWIHVYVDAXCT-UHFFFAOYSA-N 232.202 1.431 30 50 BDEA C#CCN/C(=N/C)N1C[C@@H](C)C[C@@H](C)C1 113982288 NWQYZNYQSURQKN-PHIMTYICSA-N 207.321 1.173 30 50 BDEA CC(C)[C@@H](C#N)N1C(=O)c2ccccc2C1=O 71773878 YYLQAERUNCZPKZ-LLVKDONJSA-N 228.251 1.831 30 50 BDEA CN(C)c1ccnc(C(=O)N[C@H](C#N)C2CC2)c1 131477596 NSZAHWGEMAUPSA-GFCCVEGCSA-N 244.298 1.180 30 50 BDEA CCN/C=C/C(=O)c1ccccc1[N+](=O)[O-] 43191000 LXXDYDRGXKHQST-BQYQJAHWSA-N 220.228 1.901 30 50 BDEA O=C1[C@H]([C@]2(O)/C(=N/O)[C@H]3C=C[C@H]2C3)[C@H]2C=C[C@H]1C2 257356928 LDKPYNVLEBYVCG-HEDVKMIVSA-N 245.278 1.145 30 50 BDEA CC1(C)OB(c2cnc(Cl)nc2)OC1(C)C 169743570 VLAPDEKXZLRRKV-UHFFFAOYSA-N 240.499 1.429 30 50 BDEA in-vitro CC1(C)OB(c2cscn2)OC1(C)C 169905589 IUHVEWBGPBCWTQ-UHFFFAOYSA-N 211.095 1.442 30 50 BDEA CN(CC#N)C(=O)c1ccc2nc(S)oc2c1 170642116 XMXPNIUJRKIMTM-UHFFFAOYSA-N 247.279 1.712 30 50 BDEA CCCCCCCCN1C(=O)CNC1=O 101369490 YXGYRRJMOJVJQC-UHFFFAOYSA-N 212.293 1.899 30 50 BDEA Cc1ccncc1NC(=O)[C@@]1(C#N)CCOC1 1875270285 UDNOYHYGEXMWIJ-GFCCVEGCSA-N 231.255 1.259 30 50 BDEA CS(=O)(=O)OC[C@H]1CCCC(F)(F)C1 252513923 AWOIVAXWWROAJA-ZETCQYMHSA-N 228.260 1.788 30 50 BDEA in-vitro N#CCCSCc1csc(N=C(N)N)n1 5019144 FSKYYRZENXOYAP-UHFFFAOYSA-N 241.345 1.195 30 50 BDEA in-vitro Cn1cc(CCNC(=O)[C@@H]2CO2)c2ccccc21 1875372672 KNNDRSGNQSNEPA-ZDUSSCGKSA-N 244.294 1.236 30 50 BDEA C#CC(=O)Nc1cn(C)nc1Oc1ccccc1 1775996877 LMAHDIMZRLTCHD-UHFFFAOYSA-N 241.250 1.784 30 50 BDEA Cc1nn(CC#N)c(C)c1Br 95277 QQTALTIGHKIMSM-UHFFFAOYSA-N 214.066 1.786 30 50 BDEA in-vitro CC(=O)C1=C(O)C(=O)N[C@H]1c1ccccc1 128917 RHWBEJLEOZOCQX-JTQLQIEISA-N 217.224 1.259 30 50 BDEA biogenic CCN(/N=C\c1ccccc1O)C(=S)NC 55129180 AKDCMWNVCCFLJV-JYRVWZFOSA-N 237.328 1.552 30 50 BDEA COc1nccc(N=C(O)N2CCC=C(C)C2)n1 328763166 ZVCAAMFVONTDEI-UHFFFAOYSA-N 248.286 1.683 30 50 BDEA C=CCNC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 1337039235 YYAVKGOGEMQYPP-STQMWFEESA-N 236.359 1.801 30 50 BDEA CC1(C)OB(c2cccc(CO)c2)OC1(C)C 169745840 ZEWWJJQAFTXUIS-UHFFFAOYSA-N 234.104 1.478 30 50 BDEA in-vitro C=CCN(C=O)CP(=O)(OCC)OCC 5008568 JPUYESFXUZAOJM-UHFFFAOYSA-N 235.220 1.854 30 50 BDEA CCOc1cccc(OCC#CCNC)c1 16623527 XEUKVZDPJICJFS-UHFFFAOYSA-N 219.284 1.687 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)on1 169992572 IQNJZSNKCNUQII-UHFFFAOYSA-N 209.054 1.282 30 50 BDEA O=C(C[n+]1ccccn1)c1ccc([N+](=O)[O-])cc1 6335476 IAAFWTQSFCQJRI-UHFFFAOYSA-N 244.230 1.160 30 50 BDEA C=C(C)CC[C@@H](C)NCCN(C)S(C)(=O)=O 65373741 LICPUUFSAJUNIX-LLVKDONJSA-N 248.392 1.212 30 50 BDEA Cc1c(C#N)c(=O)ncn1Cc1ccccc1 208645 ORISQJQWIPOZCQ-UHFFFAOYSA-N 225.251 1.472 30 50 BDEA C=C[C@@]12CC[C@@H](C[C@H]1C(=O)OC)C(=O)C2 101092803 LMNGHUOWRVSIPW-AUTRQRHGSA-N 208.257 1.721 30 50 BDEA CN/C(N)=N/C[C@@H]1CCN(c2ccccc2)C1 225524024 NVNAFHLJPPTKRL-NSHDSACASA-N 232.331 1.047 30 50 BDEA CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C=O 238142419 JKBBQSCJTCYVRT-MRVPVSSYSA-N 213.277 1.831 30 50 BDEA O=C1C=C(c2cccc(CO)n2)CCC1 238857050 XWJSXHXKAFTTKV-UHFFFAOYSA-N 203.241 1.710 30 50 BDEA in-vitro N#CC1(c2ccncc2F)CCNCC1 699626589 BQGZTTPQGCZMPW-UHFFFAOYSA-N 205.236 1.365 30 50 BDEA CO[C@H]1CCN(c2c(C)ccnc2C#N)C1 1775991642 SRFYTJLXVINLHC-JTQLQIEISA-N 217.272 1.487 30 50 BDEA C=CCNC(=O)C(=O)NCc1ccc(CC)cc1 2993986 IOBCALUDMVMFBZ-UHFFFAOYSA-N 246.310 1.167 30 50 BDEA Cc1ccc(/C=N/Nc2nnc(C)n2N)cc1 4713329 HBYGYPXSEQWOQQ-NTUHNPAUSA-N 230.275 1.055 30 50 BDEA NC1=[N+](CC(=O)c2cccs2)CCC1 100740899 MLUSCLWAXKAIQR-UHFFFAOYSA-O 209.294 1.094 30 50 BDEA CCCCCC(=O)ON1C(=O)CCC1=O 2558956 HNYAWMSQSBERBE-UHFFFAOYSA-N 213.233 1.174 30 50 BDEA in-vitro C[C@H](CO)n1ccnc1-c1cccc(C#N)c1 71747503 RMXCBRBVCLIFNT-SNVBAGLBSA-N 227.267 1.975 30 50 BDEA CC[C@](C)(C#N)C(=O)N1CCO[C@H](CF)C1 335225094 UUHYPBXCBXQCKC-MWLCHTKSSA-N 228.267 1.123 30 50 BDEA ON=C1[C@H]2C[C@H]3C(=NO)[C@@H]4C[C@H]1[C@@H]1[C@H]2[C@@H]3[C@H]41 257358443 UMQYUJYCQHPIRM-WQASFQTISA-N 218.256 1.425 30 50 BDEA N#CCCN1CC(Oc2ccc(C#N)cc2)C1 158557560 LNMCSYUCKLQCPN-UHFFFAOYSA-N 227.267 1.535 30 50 BDEA CCOCCN1CCN([C@H](C)CC#N)C[C@H]1C 247136633 KQHKEJWOVFHYPY-CHWSQXEVSA-N 239.363 1.331 30 50 BDEA CC1(C)CC(=O)C=C(NN2CCOCC2)C1 18244247 SNWJYQQTYWPAGK-UHFFFAOYSA-N 224.304 1.096 30 50 BDEA N=C(N)N/N=C(\c1ccccc1)c1cccs1 4760438 NXSYVTCGTNVFIF-RVDMUPIBSA-N 244.323 1.984 30 50 BDEA C=C(C)C(=O)O[C@H]1[C@H]2OC(=O)[C@H]3C[C@H]1C[C@@H]32 1857788299 JJMQLQLMPJLIPZ-KBDSZGMXSA-N 222.240 1.056 30 50 BDEA Cn1ncnc1-c1ccc(OC[C@@H]2CO2)cc1 1875378967 LOAZHXZATFACJH-LLVKDONJSA-N 231.255 1.260 30 50 BDEA N#CCC1CCN(C(=O)N[C@H]2CC23CC3)CC1 335160865 PPNYBPMECOCOEU-NSHDSACASA-N 233.315 1.874 30 50 BDEA CC#CCCNC(=O)N1CC[C@@](C)(F)C1 335789168 PCDOLBUJUGLQGA-LLVKDONJSA-N 212.268 1.543 30 50 BDEA CN(CCOCCO)c1cccc(F)c1C#N 239722548 CDFNZZWKRBAYLF-UHFFFAOYSA-N 238.262 1.142 30 50 BDEA CC1(C)OB(c2ccc(F)cn2)OC1(C)C 169744852 WDUWZTFQBAISOZ-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro N#Cc1cc(F)ccc1Cn1ccnn1 128048940 KFBSLCVQMAFFGE-UHFFFAOYSA-N 202.192 1.337 30 50 BDEA N#Cc1ccc(NCc2ccncc2)nn1 301869674 CNPYFSZKBVVDOX-UHFFFAOYSA-N 211.228 1.355 30 50 BDEA COc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1 170003231 IKTDVMGZTODMOF-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA NC(=S)N/N=C\c1cccc(Cl)c1 20164021 IPKPBBJJLUBSAV-WZUFQYTHSA-N 213.693 1.507 30 50 BDEA C[C@H](C#N)C(=O)N1CCc2c(F)cccc21 336024516 WBDRQTYQVQSMPU-MRVPVSSYSA-N 218.231 1.874 30 50 BDEA Cc1ncc(CN2CCC[C@@](C)(C#N)C2)[nH]1 670446891 DHCGWWDFEDCTEG-LBPRGKRZSA-N 218.304 1.844 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@]2(C)O[C@@H]2C1 216717175 XKAQTGOFXOCTAO-KCJUWKMLSA-N 213.277 1.785 30 50 BDEA in-vitro Cc1cc([C@@H]2CCCN2C(=O)CC#N)on1 408314018 PKCNWLRTRZCPRI-VIFPVBQESA-N 219.244 1.560 30 50 BDEA Cn1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)c1 4831976 WHUNAWWPLOUQMW-UHFFFAOYSA-N 246.246 1.104 30 50 BDEA C#CC(=O)N[C@H]1CCC[C@H]1Oc1ccccc1 1775995845 HCEQQFDTGZPHGD-QWHCGFSZSA-N 229.279 1.736 30 50 BDEA COc1ccc(C(=O)/C=C\N2CCOCC2)cc1 100633662 UBJDFKYEOFOQTO-SREVYHEPSA-N 247.294 1.724 30 50 BDEA C[C@]12/C(=N/O)[C@@H]3[C@H]4C[C@H]5[C@@H]3/C(=N/O)[C@@H]1[C@@H]5[C@H]42 253416784 DCTVZVDSTNAXOE-VRTRRMLHSA-N 218.256 1.425 30 50 BDEA C#C[C@H](NC(=O)NCCCn1cccn1)C(C)C 241693920 QIVKUCNXEFTQIL-LBPRGKRZSA-N 248.330 1.230 30 50 BDEA CCSCCSCC(=O)N(C)O 585118755 ANOZFRGPZVLMBI-UHFFFAOYSA-N 209.336 1.320 30 50 BDEA C#CCN(C)CC(=O)N1C[C@@H](C)C[C@@H](C)C1 192229479 XDCFWYOMSNMEHP-TXEJJXNPSA-N 222.332 1.056 30 50 BDEA CCCNC(=O)c1ccc(NC(=O)CC#N)cc1 192738194 XIGUIWFOIATBBH-UHFFFAOYSA-N 245.282 1.679 30 50 BDEA O[C@H](C#CCN1CCOCC1)c1ccccc1 19595280 FAIVFMWREWZJNR-CQSZACIVSA-N 231.295 1.056 30 50 BDEA CC#CC(=O)N[C@H](CC)C(=O)c1ccccc1 1875366907 WSLSTTZRMNWJMG-GFCCVEGCSA-N 229.279 1.787 30 50 BDEA CC(=O)c1ccccc1/N=C/C[N+](=O)[O-] 100698489 FQTHIFBANHTYAN-IZZDOVSWSA-N 206.201 1.868 30 50 BDEA CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)O 116639300 DAKRJQCYDKDOLN-MRVPVSSYSA-N 242.275 1.658 30 50 BDEA N#Cc1c(F)c(F)c(F)c(F)c1C#N 155214 OFLRJMBSWDXSPG-UHFFFAOYSA-N 200.094 1.986 30 50 BDEA in-vitro C=C1COCCN(C(=O)OC(C)(C)C)C1 91691937 UHNJPHHZWSDWHT-UHFFFAOYSA-N 213.277 1.810 30 50 BDEA in-vitro CC(=O)n1ccc(B2OC(C)(C)C(C)(C)O2)c1 169746361 FDBYQQRPZJRMTM-UHFFFAOYSA-N 235.092 1.447 30 50 BDEA CC1(C)OB(c2cccc(C#N)n2)OC1(C)C 169858384 DPFGNHMAUFKOCZ-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1678615 AOHCBEAZXHZMOR-CYBMUJFWSA-O 247.318 1.870 30 50 BDEA biogenic,in-vitro C=CC(=O)N[C@H](C#N)Cc1ccccc1 1875361748 BQZZZJPWGUAUDQ-NSHDSACASA-N 200.241 1.423 30 50 BDEA O=C([C@@H]1CO1)N(CC1CCCCC1)C1CC1 1875372535 HWTPEEUWYZCDSZ-LBPRGKRZSA-N 223.316 1.957 30 50 BDEA COC(=O)/C(=C/c1ccccc1)[N+](=O)[O-] 2854399 OXXLRSFTMYPKRD-CLFYSBASSA-N 207.185 1.477 30 50 BDEA C#CCN(CC#N)C(=O)c1cc(F)cc(F)c1 225564111 RJBLHGNJADGNFP-UHFFFAOYSA-N 234.205 1.564 30 50 BDEA N#Cc1ccc(I)c(O)c1 36258802 JXTGXKQNEFYEKG-UHFFFAOYSA-N 245.019 1.868 30 50 BDEA Cc1cc(C)cc(/C(O)=N/CC(=O)O)c1 82071034 GXECYTYPWZCYKI-UHFFFAOYSA-N 207.229 1.693 30 50 BDEA in-vitro CC[C@@H]1CN(/C(=N/C)NC)CCS1 170693048 FQGVQVGNLWFYJN-MRVPVSSYSA-N 201.339 1.019 30 50 BDEA COc1ccc(CCN/C(N)=N/CC2CC2)cc1 170610561 OXOXHDVOHUHBFE-UHFFFAOYSA-N 247.342 1.552 30 50 BDEA CO[C@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)c1 588012267 LAQZPYPTFAFKQJ-GWCFXTLKSA-N 231.299 1.602 30 50 BDEA COc1ccccc1/C=N/n1c(C)nnc1C 228476 AQGGGHOVVJVZHF-MDWZMJQESA-N 230.271 1.786 30 50 BDEA C#C[C@@](C)(CC)OC[C@H](O)CN1CCCCC1 12421388 OJTTYYYGLUPSRM-KGLIPLIRSA-N 239.359 1.652 30 50 BDEA CN1CCN(Cc2ccc(C#N)cc2Cl)CC1 19958349 IFIJMTKMWMFGOX-UHFFFAOYSA-N 249.745 1.959 30 50 BDEA C[C@@H](NC(=O)[C@H]1CO1)c1ccc(C#N)cc1F 1875372863 OBCQZXKYBADHGT-RDDDGLTNSA-N 234.230 1.273 30 50 BDEA Cc1cc(C)c(C(N)=O)c(SCC#N)n1 6702134 ZAFQJUZRHVAIHC-UHFFFAOYSA-N 221.285 1.413 30 50 BDEA C[C@@H](Oc1cccnc1)c1ccc(C#N)c(=O)[nH]1 8782260 OOBFYYJQXHFEEK-SECBINFHSA-N 241.250 1.782 30 50 BDEA N#Cc1cnc(N)c(I)c1 40448167 BIUIDXQBQCDCIX-UHFFFAOYSA-N 245.023 1.140 30 50 BDEA in-vitro CC(C)COS(=O)(=O)OCC(C)C 114574104 UXLGPJLQZVPSSD-UHFFFAOYSA-N 210.295 1.576 30 50 BDEA N#C[C@@H]1CCC[C@H](NCCCn2cccn2)C1 170081283 LQCWUNMDNCWZAU-OLZOCXBDSA-N 232.331 1.945 30 50 BDEA C#CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 191077552 VSTFFZOOPVIXJU-UHFFFAOYSA-N 246.266 1.619 30 50 BDEA N#Cc1ncn(C/C(O)=N/CC2(C3CC3)CC2)n1 328847245 VSRGGTNOVHUKIN-UHFFFAOYSA-N 245.286 1.296 30 50 BDEA C[C@H]1[C@H](CO)CCCN1c1ncccc1C#N 591200660 AIUVFEHJSARTQQ-JQWIXIFHSA-N 231.299 1.550 30 50 BDEA CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 200431172 GIZDLYRVBVGYPN-UHFFFAOYSA-N 249.213 1.981 30 50 BDEA N[C@@H](CCCC/N=C/c1ccccc1)C(=O)O 2391063 COOFECBQXGJZTA-XBUHWIKASA-N 234.299 1.688 30 50 BDEA N#Cc1cccc2cc(OC[C@@H]3CO3)cnc12 1875379436 QICAIRJRVMZYRO-GFCCVEGCSA-N 226.235 1.884 30 50 BDEA C#C[C@@](C)(CC)NC(=O)c1ccc(C(N)=O)cc1 491426204 FIOQWGPPGFEOLR-AWEZNQCLSA-N 244.294 1.317 30 50 BDEA CC(=O)Nc1ccc(NCCC#N)cc1 2464360 NBHHORSSNGGFQE-UHFFFAOYSA-N 203.245 1.971 30 50 BDEA CCc1c(C)nc(N)nc1N1N=C1SCC#N 2871962 DLOHALUYYBFMDI-UHFFFAOYSA-N 248.315 1.277 30 50 BDEA Cc1c(C#N)c(N)n(CCCn2ccnc2)c1C 6668662 MMYQRTKHSDSNRR-UHFFFAOYSA-N 243.314 1.846 30 50 BDEA CC(C)c1nnc(Cn2cc(C#N)cn2)o1 282306768 SAYCXVZJFBQVOJ-UHFFFAOYSA-N 217.232 1.309 30 50 BDEA CCOc1cnccc1B1OC(C)(C)C(C)(C)O1 198023600 VDEDYIMLJVFTCQ-UHFFFAOYSA-N 249.119 1.780 30 50 BDEA N#CCc1cc(C(F)(F)F)cnc1N 238678483 POMSFOCSEIYGGB-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA N#Cc1coc(I)n1 238587952 GARZCDZQSLWKBX-UHFFFAOYSA-N 219.969 1.151 30 50 BDEA N#Cc1ccc(NC[C@H](CO)[C@@H]2CCOC2)cn1 330073846 KSGHRLXMLKOYAF-GHMZBOCLSA-N 247.298 1.010 30 50 BDEA C#C[C@@](C)(CC)OC[C@@H](O)CN1CCCCC1 12421386 OJTTYYYGLUPSRM-KBPBESRZSA-N 239.359 1.652 30 50 BDEA CC1(C)CCC(=O)C2=C1C(=O)C[C@@H]2CC(=O)O 393025 ONJVZUQGBSNDBS-SSDOTTSWSA-N 236.267 1.736 30 50 BDEA N#Cc1ccccc1O[C@@H]1CCCNC1 12359830 IRNZLBNNIBEIFM-LLVKDONJSA-N 202.257 1.689 30 50 BDEA COCc1c([N+](=O)[O-])c(C)[nH]c(=S)c1C#N 15636158 FHRHRXGYTQJHNG-UHFFFAOYSA-N 239.256 1.979 30 50 BDEA C=CCOC(=O)[C@@H](N)Cc1ccccc1 19594746 CDFATPKAADNQOR-NSHDSACASA-N 205.257 1.286 30 50 BDEA CC1(C)OB(c2ccc(N)cc2)OC1(C)C 169743285 ZANPJXNYBVVNSD-UHFFFAOYSA-N 219.093 1.568 30 50 BDEA O=C1OCc2cc(OC[C@H]3CO3)ccc21 1875378634 INFPIYPECXVEGM-VIFPVBQESA-N 206.197 1.135 30 50 BDEA N#Cc1ccc(=NCC2CCSCC2)[nH]c1N 408523569 LHQPMSFSSBOKPX-UHFFFAOYSA-N 248.355 1.512 30 50 BDEA N/C(S)=N/N=C/c1cccc([N+](=O)[O-])c1 28071 LLRJOBJZEOGDLA-BJMVGYQFSA-N 224.245 1.173 30 50 BDEA COC[C@@]1(CNc2cc(C#N)ccn2)CCCN1 261585612 TXVIWVMMQMHUIP-ZDUSSCGKSA-N 246.314 1.134 30 50 BDEA O=C(Oc1ccccc1)ON1C(=O)C=CC1=O 196748759 DCDVGWBIRNCZLK-UHFFFAOYSA-N 233.179 1.042 30 50 BDEA C=C(C)[C@@H]1CC=C(CNCC(=O)N(C)C)CC1 952873139 GXQZHPLQBOZYHQ-CYBMUJFWSA-N 236.359 1.967 30 50 BDEA C=CCN(C)CCN(CC)C(=O)c1c[nH]cc1C 408523288 QQOOBNTZEJKWIG-UHFFFAOYSA-N 249.358 1.903 30 50 BDEA C=CCn1c([P@@](C)(=O)O)nc2ccccc21 169293896 UTQIUQMVVNEFAV-UHFFFAOYSA-N 236.211 1.748 30 50 BDEA Cc1nc(N[C@@H]2CCC[C@@H]2C(=O)O)ccc1C#N 311232337 LCFLWTXYJHWGFG-WDEREUQCSA-N 245.282 1.927 30 50 BDEA COCCNC=C1C(=O)c2ccccc2C1=O 100433663 NMHCHOKXOFDGRX-UHFFFAOYSA-N 231.251 1.186 30 50 BDEA CC1(C)OB(c2cccnc2S)OC1(C)C 170006683 ZBAFACWWHQJKDB-UHFFFAOYSA-N 237.133 1.670 30 50 BDEA N#Cc1ccc(NC[C@H]2CCCO2)cn1 131877175 QTWWCXICJJZBHY-LLVKDONJSA-N 203.245 1.544 30 50 BDEA C(=Nn1cnnc1)c1c[nH]c2ccccc12 244874435 XBDRNNWKGLPRIX-UHFFFAOYSA-N 211.228 1.642 30 50 BDEA Cc1nc2ccc(OC[C@H]3CO3)cc2o1 206479560 MZLFOLBPFCGKCR-VIFPVBQESA-N 205.213 1.914 30 50 BDEA CC#CCNC(=O)Nc1cnc(C2CC2)nc1 170604261 HSLWDHZPLGZVJO-UHFFFAOYSA-N 230.271 1.499 30 50 BDEA CN(CC(C)(C)C#N)C(=O)c1cc(F)c[nH]1 336150593 HNSROCXNGHHGAN-UHFFFAOYSA-N 223.251 1.776 30 50 BDEA N#Cc1cccnc1N1CC[C@H]2COCC[C@@H]21 1875271552 IDCNFSLFOXAUDK-RYUDHWBXSA-N 229.283 1.568 30 50 BDEA C=CCn1c(CCCNC=O)nc2ccccc21 4810131 SKSCULSZZXXKIN-UHFFFAOYSA-N 243.310 1.901 30 50 BDEA CCOC(=O)c1cccn2c(C#N)cnc12 309148938 NMXCKQTVHDQQON-UHFFFAOYSA-N 215.212 1.383 30 50 BDEA C=CCC[C@@H](C)NC[C@H]1CCCS1(=O)=O 126883120 KGZDGMSGBYFKGC-GHMZBOCLSA-N 231.361 1.508 30 50 BDEA CC(C)(C)OC(=O)ON1C(=O)CCC1=O 156777 VTGFSVGZCYYHLO-UHFFFAOYSA-N 215.205 1.002 30 50 BDEA biogenic,in-vitro NC(N)=Nc1cccc(Cl)c1Cl 39191364 PNYMBNYUYXFJCQ-UHFFFAOYSA-N 204.060 1.898 30 50 BDEA N#Cc1ccnc(N[C@H]2CCO[C@H](C3CC3)C2)n1 295086191 RREUSSWYDPFISV-JQWIXIFHSA-N 244.298 1.718 30 50 BDEA Cc1oc(C#N)cc1C(=O)N1CC[C@H]([C@H](C)O)C1 408403409 BGABRYHLGBMTDQ-WPRPVWTQSA-N 248.282 1.303 30 50 BDEA N#Cc1cccc(CNC[C@H]2COCO2)c1 585117045 PVGCXCXQDIIPHT-LBPRGKRZSA-N 218.256 1.021 30 50 BDEA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)cn1 191896372 TWOJWLPYTBSBIG-KOLCDFICSA-N 245.282 1.707 30 50 BDEA Cc1ccc2c(c1)C(=O)[C@H]([N+](=O)[O-])C2=O 139871752 OCJFPAUIRWLATM-MRVPVSSYSA-N 205.169 1.019 30 50 BDEA in-vitro C[C@@H]1S/C(=N/N=C/c2cccs2)NC1=O 4567291 JLEITFULSIRKPA-UEEORIODSA-N 239.325 1.690 30 50 BDEA c1nnc(-c2ccc(OC[C@H]3CO3)cc2)s1 1875390107 YWUURIYJGBKHKQ-JTQLQIEISA-N 234.280 1.983 30 50 BDEA CCNC(=S)N/N=C/c1c[nH]c2ccccc12 4335794 YLHXQEICYDZJSX-OVCLIPMQSA-N 246.339 1.986 30 50 BDEA C/C(O)=N/S(=O)(=O)c1ccccc1[N+](=O)[O-] 48423020 CUQSQUHHFLEMRA-UHFFFAOYSA-N 244.228 1.260 30 50 BDEA CC#CCOc1ncccc1C(N)=S 263624862 UTXZEIHJJZTDKP-UHFFFAOYSA-N 206.270 1.118 30 50 BDEA C#CCCCOc1ccc(C(=N)N)cn1 263622764 ASFZVQRBONXNOY-UHFFFAOYSA-N 203.245 1.158 30 50 BDEA c1cc(OC[C@@H]2CO2)cc(-n2cccn2)c1 1875378646 IVCRUVWTQSIKAD-GFCCVEGCSA-N 216.240 1.650 30 50 BDEA COC(=O)c1ccc(OC[C@@H]2CO2)cc1 523625 GVMPCQYYYYFGMV-SNVBAGLBSA-N 208.213 1.251 30 50 BDEA in-vitro C#C[C@](C)(CC1(C)OCCO1)OC(C)=O 4948114 KMKWAVBZUBIPHF-SNVBAGLBSA-N 212.245 1.095 30 50 BDEA CN(CC1(O)CCCC1)c1ccc(C#N)nc1 127455636 OGYBGYDXTFUGIN-UHFFFAOYSA-N 231.299 1.695 30 50 BDEA Cc1nc(N[C@H]2CCCC[C@H]2O)ccc1C#N 291667669 PPXYDVHGNPJHOI-NWDGAFQWSA-N 231.299 1.977 30 50 BDEA COc1ccc2[nH]cc(/C(N)=N\O)c2c1 95617109 NFFNHELMHYDQDF-UHFFFAOYSA-N 205.217 1.271 30 50 BDEA Cc1nnc(C)n1/N=C/c1cccc([N+](=O)[O-])c1 228458 VETJYUVSYKWIIH-KPKJPENVSA-N 245.242 1.685 30 50 BDEA C=CCNC(=O)[C@H](C)Oc1ccc(OC)cc1 2848468 ZYDSUOIBFDBWCY-JTQLQIEISA-N 235.283 1.765 30 50 BDEA O=C1CCS[C@@H]2SCCC(O)=C12 4552413 KJQHMFAMKQLFEE-QMMMGPOBSA-N 202.300 1.968 30 50 BDEA CN1CCN(CCOc2ccc(C#N)cc2)CC1 20653091 ZSNYOUGKGZGYDP-UHFFFAOYSA-N 245.326 1.184 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@](F)(C=O)C1 114699003 MPYNWEUJDBXJRL-JTQLQIEISA-N 217.240 1.534 30 50 BDEA N#Cc1cnn2ccn(CC3(C#N)CCC3)c12 333594541 VPXDYVMNERGKCM-UHFFFAOYSA-N 225.255 1.701 30 50 BDEA C=CCOC(=O)[C@@H]1[C@H](C)C[C@@]2(C)C[C@H]1C(=O)O2 253575666 UWVYEALGVAJYLZ-PRFIWBCESA-N 238.283 1.693 30 50 BDEA COc1ccc2c(c1)CC[C@@H](C=O)C2=O 100066590 NTVKOYKLIKUWHM-VIFPVBQESA-N 204.225 1.639 30 50 BDEA in-vitro C#CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 167253201 LSBDNGORVFMNSJ-UHFFFAOYSA-N 245.238 1.525 30 50 BDEA N#Cc1ccc2c(c1)N(CCC1OCCO1)CC2 274519490 YLMHDOVHAKSHHC-UHFFFAOYSA-N 244.294 1.684 30 50 BDEA Cc1cc([C@H]2CCCN2C(=O)CC#N)on1 408314017 PKCNWLRTRZCPRI-SECBINFHSA-N 219.244 1.560 30 50 BDEA C=CCc1cccc2cc(C(=O)NC)c(=O)oc12 2871425 SHKOWFIARHGPRR-UHFFFAOYSA-N 243.262 1.881 30 50 BDEA N#Cc1cnc(NCC#Cc2ccccn2)cn1 225457264 DQYCLEKGDHMDMN-UHFFFAOYSA-N 235.250 1.207 30 50 BDEA N#CCc1nc(-c2ccc(F)cc2)no1 9941186 CAHAOTGVJZPDHW-UHFFFAOYSA-N 203.176 1.942 30 50 BDEA CC(C)(C)[C@H](C#N)NC(=O)Cc1cncnc1 331203914 OCBWDBWILUHESA-JTQLQIEISA-N 232.287 1.074 30 50 BDEA Cc1nn(CC2CCC2)c(=O)c(C#N)c1C 336335482 LOUAVDKYBPPBEL-UHFFFAOYSA-N 217.272 1.532 30 50 BDEA CC1(C)OB(c2cnn(CCF)c2)OC1(C)C 169810397 DPULQKXQKDFFPR-UHFFFAOYSA-N 240.087 1.152 30 50 BDEA in-vitro CC#CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 764254227 PEURUWCWYRVQPU-ZDUSSCGKSA-N 242.322 1.652 30 50 BDEA C[C@@H]1CCC[C@@H](C(=O)O)N1C(=O)CCS 235505 UHIOKYGCFGNNCU-SFYZADRCSA-N 231.317 1.161 30 50 BDEA biogenic,in-vitro CC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 169988746 PUYOTRMLWYCWSJ-UHFFFAOYSA-N 247.103 1.583 30 50 BDEA N/N=C(/Nc1ccccc1)c1ccccn1 5336523 ASMOKPFWGLGHCS-UHFFFAOYSA-N 212.256 1.814 30 50 BDEA C=CCN1C(=O)[C@@H](CCCC)NC1=S 2127080 ODHVRFSUUJZFNT-MRVPVSSYSA-N 212.318 1.448 30 50 BDEA O=C(/C=C/c1ccc(O)cc1)c1cc[n+]([O-])cc1 6863153 JTPFLXTZSCUSBT-ZZXKWVIFSA-N 241.246 1.922 30 50 BDEA Cc1noc([C@@H](C)/N=C(/O)c2cn[nH]c2)n1 330406775 YWFDZZRYOAURBN-RXMQYKEDSA-N 221.220 1.167 30 50 BDEA CC(C)(C)OC(=O)NC1CC(CC=O)C1 143728559 VGPJTIFKZYJWDP-UHFFFAOYSA-N 213.277 1.879 30 50 BDEA CCN1CC[C@H](Nc2ccc(C#N)cc2F)C1=O 241588258 PBJQXOWOCLLZMV-LBPRGKRZSA-N 247.273 1.730 30 50 BDEA CCn1nc(C)cc1-c1cn(C)nc1C#N 1616038439 MOXJGDUKSJEADJ-UHFFFAOYSA-N 215.260 1.484 30 50 BDEA Cc1cc(C)nc(/N=C(\N)N2CCCC[C@@H]2C)n1 55490046 YSIBJCIJRKLKCC-NSHDSACASA-N 247.346 1.914 30 50 BDEA CSCC(=O)Nc1ccc(F)cc1C#N 135154186 KNCOXSUQFAAGIZ-UHFFFAOYSA-N 224.260 1.999 30 50 BDEA N#Cc1ccc(N2C(=O)CSCC2=O)cc1 1385802 QDGLXYFFLSYQOW-UHFFFAOYSA-N 232.264 1.165 30 50 BDEA CS(=O)(=O)c1cc(C(F)(F)F)ccc1C#N 217045998 HGLJZCFSFNCPHL-UHFFFAOYSA-N 249.213 1.981 30 50 BDEA C[C@@H]1O[C@H](C)CN(c2cnc(C#N)cn2)[C@H]1C 408444383 SNGGQAPXPIIMRQ-UTLUCORTSA-N 232.287 1.350 30 50 BDEA C#CCN1CC(c2nc3ccccc3[nH]2)C1 766942634 ZATFYKZAUGMRPJ-UHFFFAOYSA-N 211.268 1.595 30 50 BDEA Cc1ccc(S(=O)(=O)OCCF)cc1 1631138 XNRDLSNSMTUXBV-UHFFFAOYSA-N 218.249 1.670 30 50 BDEA in-vitro N#Cc1cncc(N2CCOCC3(CCC3)C2)n1 333817283 GVZAHRNUFCCHBY-UHFFFAOYSA-N 244.298 1.355 30 50 BDEA C=CCOc1ccc(C(=O)Nc2nc[nH]n2)cc1 13152759 KJDXNWBNELPEAI-UHFFFAOYSA-N 244.254 1.622 30 50 BDEA CC#CC(=O)N1C[C@H](C)Cc2cccc(O)c21 1875367582 RLODMVGSKWALPI-SNVBAGLBSA-N 229.279 1.941 30 50 BDEA Cc1ccc2c(C)nc(N=C(N)N)nc2c1 4178401 VQPFEJKCILQIMC-UHFFFAOYSA-N 215.260 1.152 30 50 BDEA C=CCNC(=O)c1c(O)[nH]c2ccccc2c1=O 9042696 SBZLTQMYRFIERR-UHFFFAOYSA-N 244.250 1.150 30 50 BDEA C=CCC[C@H](O)CN1CC[C@@H]2CCN(C)C[C@H]21 328586879 XTHKWFARLYXNLP-MELADBBJSA-N 238.375 1.340 30 50 BDEA C[S@@](=O)CSc1ccccc1C#N 43191106 CMPMBYHPLZPKKZ-ZDUSSCGKSA-N 211.311 1.986 30 50 BDEA COc1cccc2c1C(=O)C(O)=CC2=O 337785 FYKICSYZKOGCIS-UHFFFAOYSA-N 204.181 1.516 30 50 BDEA biogenic COc1ccc(/C=C/C(=O)C(=O)O)cc1OC 2167958 SHUJCNYJGLPHKM-HWKANZROSA-N 236.223 1.371 30 50 BDEA CC(C)(C)OC(=O)N1CC(=O)C=C(O)C1 203063814 GSKQFQOAXWWFLO-UHFFFAOYSA-N 213.233 1.248 30 50 BDEA O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CO1 1875372877 ONKUMCYIYSHXDC-AGIUHOORSA-N 247.294 1.422 30 50 BDEA N#Cc1ccc(Cl)cc1N[C@H]1CNC(=O)C1 225825566 HZTRUFNNFRYAAH-SECBINFHSA-N 235.674 1.512 30 50 BDEA CCOC(=O)Cc1sc(N)c(C#N)c1C 188463 MBZGSYPMRPOJIA-UHFFFAOYSA-N 224.285 1.616 30 50 BDEA C#CCSc1nnc2nc(C)cc(C)n12 2883621 IVNJHAGTZMOPLH-UHFFFAOYSA-N 218.285 1.466 30 50 BDEA Cc1occc1C(=O)O/N=C(\N)c1cccnc1 4303819 BWUDEKIWNYYZCI-UHFFFAOYSA-N 245.238 1.460 30 50 BDEA C=CCNC(=S)Nc1nc(C)cs1 5375165 RAWFJBZBLQSJSS-UHFFFAOYSA-N 213.331 1.924 30 50 BDEA COC(OC)c1c(C#N)ccnc1Cl 38534033 GJWYBPKJLNAJEQ-UHFFFAOYSA-N 212.636 1.898 30 50 BDEA CC(C)(C)OC(=O)[C@@H](C#N)c1cnccn1 12505561 LWVNNGDSNSDZKD-QMMMGPOBSA-N 219.244 1.425 30 50 BDEA in-vitro C=CCNC(=S)NC(=O)c1ccccc1 2905914 FXSMGTPJMTTXAH-UHFFFAOYSA-N 220.297 1.477 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@](F)(C=O)C1 114699001 MPYNWEUJDBXJRL-SNVBAGLBSA-N 217.240 1.534 30 50 BDEA CCn1nncc1/C(O)=N/[C@H]1C=CCCC1 328921642 UCFPYYRTECDKSK-VIFPVBQESA-N 220.276 1.711 30 50 BDEA N#Cc1cc(Br)c(C(=O)O)cc1O 263624567 RQEJWQRMWAKSFR-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CN(CC#N)Cc1nc2ccc(F)cc2o1 163320485 BFJCSZWDLVYVDI-UHFFFAOYSA-N 219.219 1.922 30 50 BDEA Cn1cc[n+](CC(=O)c2ccc(Cl)cc2)c1 13154410 VAPRSYGEPKZLNA-UHFFFAOYSA-N 235.694 1.849 30 50 BDEA N#Cc1ccc(N2CC[C@](F)(CO)C2)c(F)c1 253392875 KGTJXZHWLFHMFX-GFCCVEGCSA-N 238.237 1.608 30 50 BDEA C=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2 4980702 VDFSEFFJKNQVLG-UHFFFAOYSA-N 248.370 1.847 30 50 BDEA N#Cc1ccc(N2CCC[C@@H](CO)C2)cn1 131881723 MOGZMQHUQNEBNM-SNVBAGLBSA-N 217.272 1.162 30 50 BDEA CCCCCC(=O)N[C@@H](C#N)[C@H]1CCOC1 1875363323 YFQYJGXBUDMTEG-QWRGUYRKSA-N 224.304 1.612 30 50 BDEA C[C@@H](NC(=O)CC#N)[C@@H]1C[C@H]2CC[C@H]1C2 100909081 LFQOMKVFNXQTFL-RCWTZXSCSA-N 206.289 1.841 30 50 BDEA CC1(C)OB(c2ccc(/C=N\O)cc2)OC1(C)C 170008880 CSKICNHBCQCNIQ-DHDCSXOGSA-N 247.103 1.794 30 50 BDEA Cc1cccc(-n2ncc(C#N)c2N)c1C 3884317 PZTPZIBTGRHMFG-UHFFFAOYSA-N 212.256 1.943 30 50 BDEA in-vitro Cc1nc(N2CCC[C@@H]([C@@H](C)N)C2)ccc1C#N 261582462 RFPLZISAQWJFKO-ZWNOBZJWSA-N 244.342 1.825 30 50 BDEA C=C(C)CS(=O)(=O)N1CCC[C@H]1CF 334429545 ZBBUBLZPAPPOIK-VIFPVBQESA-N 221.297 1.326 30 50 BDEA C=CCn1ncc([N+](=O)[O-])c1Br 95704770 OVLPNJYNWUTVBZ-UHFFFAOYSA-N 232.037 1.740 30 50 BDEA CO[C@@H]1CN(C(=O)[C@H](C)CC#N)CC[C@H]1C 597540707 NNRMIMPKCZBBME-GMTAPVOTSA-N 224.304 1.420 30 50 BDEA N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC1=O 66054976 TUUPQWMVTFXWOW-LLVKDONJSA-N 244.250 1.348 30 50 BDEA in-vitro CC1(C)OB(C2=COCCO2)OC1(C)C 169988517 PQUXXLGCBJLNMN-UHFFFAOYSA-N 212.054 1.506 30 50 BDEA N/C(=N\O)c1ccc(CN2CCCCC2)cc1 4344096 IMKYXWQLXCGGAQ-UHFFFAOYSA-N 233.315 1.767 30 50 BDEA N#Cc1ccc(C[C@H]2CN[C@H](C(=O)O)C2)cc1 4241471 XTGWBSMJMPPTAC-NEPJUHHUSA-N 230.267 1.163 30 50 BDEA O/N=C1\C2CCN(CC2)[C@@H]1Cc1ccccc1O 100467744 KWQUZXOUFBPJDU-XROPSADXSA-N 246.310 1.859 30 50 BDEA CCCOc1ccc(CN=C(NC)NC)cc1 170610603 ZAANONMWAKOTRW-UHFFFAOYSA-N 235.331 1.770 30 50 BDEA CN(C(=O)c1cncnc1)c1ccccc1C#N 230879475 HBKMVMBMOUQYNF-UHFFFAOYSA-N 238.250 1.625 30 50 BDEA CC1(C)OB(c2cncc(Cl)n2)OC1(C)C 169858415 OBTWHVVHJBRISW-UHFFFAOYSA-N 240.499 1.429 30 50 BDEA O=C(N[C@H]1CCCc2ccccc21)[C@H]1CO1 1875372335 DBBCIMMNKPFMLA-NWDGAFQWSA-N 217.268 1.579 30 50 BDEA C=C1C[C@@H]1CNC(=O)c1c(C)cc(C)oc1=O 2325786940 GUSOHYMMZHWMNX-SNVBAGLBSA-N 233.267 1.563 30 50 BDEA C=CCOC(=O)NCCCCCCO 2386842 FQFRACFUQCJOMP-UHFFFAOYSA-N 201.266 1.451 30 50 BDEA Cc1n(C)cc[n+]1CC(=O)c1ccccc1 2895892 FUOIPNTYXURDIW-UHFFFAOYSA-N 215.276 1.504 30 50 BDEA CC(C)n1ccc(B2OC(C)(C)C(C)(C)O2)n1 169956577 LWGNAJWTBRYFJZ-UHFFFAOYSA-N 236.124 1.763 30 50 BDEA in-vitro CC1(C)OB(c2cnn3c2CCC3)OC1(C)C 205513542 LJCFTIMGDJYWHD-UHFFFAOYSA-N 234.108 1.129 30 50 BDEA in-vitro C#C[C@@H](NC(=O)C1(O)CCCC1)c1ccccc1 843967236 KHKKUUOFBLDKSP-CYBMUJFWSA-N 243.306 1.782 30 50 BDEA CC#CC(=O)N[C@@H]1c2cccc(F)c2O[C@H]1C 1875363216 GTWWQHFQJSMNSX-UFBFGSQYSA-N 233.242 1.787 30 50 BDEA N#CCCSN1C(=O)c2ccccc2C1=O 2387251 MVZDBGUIRMGSOY-UHFFFAOYSA-N 232.264 1.844 30 50 BDEA C=CCSc1[nH]c(=O)cc(C)c1C(N)=O 8584514 QTBJDNYTZAYIHD-UHFFFAOYSA-N 224.285 1.060 30 50 BDEA Cc1cn(C)nc1B1OC(C)(C)C(C)(C)O1 225140330 RLFVYYOHIPWPAB-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA C#CCCCN1CCOC[C@H]1c1nnc(C)o1 375730752 LPTLYRYKMAZEQS-NSHDSACASA-N 235.287 1.165 30 50 BDEA C#CCSc1nnc(SCC#C)n1C 241657622 PXUXNPDGCMSFJB-UHFFFAOYSA-N 223.326 1.266 30 50 BDEA Cc1ccc(CN)cc1B1OC(C)(C)C(C)(C)O1 224680348 DYSAVNQPEUGNIH-UHFFFAOYSA-N 247.147 1.753 30 50 BDEA N#Cc1ccc(N2CCC[C@H]2CF)cn1 292652059 BRYLTRSFCLATMZ-JTQLQIEISA-N 205.236 1.892 30 50 BDEA COc1cc(C(C)=Nn2cnnc2)ccc1O 252429401 LELONAQBDZFHES-UHFFFAOYSA-N 232.243 1.265 30 50 BDEA N#CC1(c2cccc(F)n2)CCNCC1 35287568 OFPOKRRERSALBC-UHFFFAOYSA-N 205.236 1.365 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CC=C[C@]1(C)C=O 1857786643 VOZKGADERGXAFT-LLVKDONJSA-N 211.261 1.751 30 50 BDEA CC(C)(O)CONc1nc(C#N)ccc1Cl 1875368949 KFHUHGCMIHDNQP-UHFFFAOYSA-N 241.678 1.721 30 50 BDEA O=C(NC1(c2ccc(Cl)cc2)CC1)[C@H]1CO1 1875373040 SIAWOGJRBLGOHU-SNVBAGLBSA-N 237.686 1.844 30 50 BDEA O=C(NCCc1cccc2ccccc12)[C@H]1CO1 1875373177 VPZCCXIRDVRVRI-CQSZACIVSA-N 241.290 1.897 30 50 BDEA CCN1C[C@H](Nc2ccc(C#N)nn2)C(C)(C)C1 722276774 OKJAUSPGXJDKKA-NSHDSACASA-N 245.330 1.490 30 50 BDEA N#Cc1cc([N+](=O)[O-])ccc1-n1ccnc1 23245572 WWJXPYOQIWGJIS-UHFFFAOYSA-N 214.184 1.652 30 50 BDEA CC#CC(=O)N(C)Cc1ncc(C)c(OC)c1C 283085592 FMZYFYMKEFYLPS-UHFFFAOYSA-N 246.310 1.689 30 50 BDEA CC[C@@H](CC#N)NC(=O)C1=COCCC1 183816151 DYJPUMOCGQHWNU-JTQLQIEISA-N 208.261 1.489 30 50 BDEA CC#CC(=O)NC[C@@H]1OCc2ccccc21 1351035703 FQZDGXGZNXYBGF-LBPRGKRZSA-N 215.252 1.397 30 50 BDEA CC1(C)COB(c2cc(F)cc(F)c2)OC1 169807950 OLHRAEPCGZMMTI-UHFFFAOYSA-N 226.031 1.733 30 50 BDEA in-vitro COc1ccc(B2O[C@H](C)CC(C)(C)O2)cc1 169807893 LXPXXDGLEYPUQK-SNVBAGLBSA-N 234.104 1.994 30 50 BDEA in-vitro CC1(C)OB(c2cnsc2)OC1(C)C 198055046 IBFHUXAMFFTLKO-UHFFFAOYSA-N 211.095 1.442 30 50 BDEA in-vitro O=C(OCc1ccccc1)N1C[C@@H]2O[C@@H]2C1 26898274 FZDACFZWWMAUBO-PHIMTYICSA-N 219.240 1.406 30 50 BDEA in-vitro C#CCN(C)C(=O)c1ccc(O)cc1F 234245485 MJCZVYVNLSYSQZ-UHFFFAOYSA-N 207.204 1.237 30 50 BDEA COc1ccc(C(=O)/C=C/N(C)C)cc1OC 1394484 SUPCYQIUOSDKPA-BQYQJAHWSA-N 235.283 1.962 30 50 BDEA Oc1ccccc1/C=N/Nc1n[nH]c(=S)[nH]1 6335739 UDOBGCYHJCUAPV-BJMVGYQFSA-N 235.272 1.619 30 50 BDEA O/N=C/C(/C=N/O)=NNc1ccccc1 97947786 GLLXEPRJNSLUNP-JMQWPVDRSA-N 206.205 1.375 30 50 BDEA Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1 169743560 HPNBWHDRLCVZFV-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro C=CCn1c(O)nnc1SCC(C)(F)F 1615571305 IRZGXHWOCYZIQN-UHFFFAOYSA-N 235.259 1.917 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C#N 39326146 QAKRZINKSNCLEV-SFYZADRCSA-N 214.240 1.857 30 50 BDEA in-vitro N#Cc1ccsc1C(=O)N1CCC(O)CC1 408150311 PTULWSQALSKCHE-UHFFFAOYSA-N 236.296 1.217 30 50 BDEA C=CC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 228970756 YDPNQGABOGKVRF-GFCCVEGCSA-N 227.304 1.934 30 50 BDEA in-vitro N#Cc1ccc(I)nc1 12471965 OSZBCDXCSFPFSX-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA in-vitro CC#CC(=O)N(C)C1CC(c2cccnc2)C1 1875370540 SMYIBIFILUMBRD-UHFFFAOYSA-N 228.295 1.809 30 50 BDEA COC(=O)c1c(N)c(C#N)c2n1CCCCC2 287073 ZMUPFTILIONKHM-UHFFFAOYSA-N 233.271 1.455 30 50 BDEA C#CCN(CC#N)C(=O)c1cccc(OC)c1 225564189 VPXSUSPZWZOKSL-UHFFFAOYSA-N 228.251 1.294 30 50 BDEA CCC(=O)O[C@]1(C#N)C[C@@H](C)N(C)C[C@@H]1C 22205487 AOXVKLXGIXLVEW-UMNHJUIQSA-N 224.304 1.562 30 50 BDEA Cc1noc(C)c1N/C(O)=N/Cc1cnn(C)c1 330571756 FTWJLCTZSFJXHD-UHFFFAOYSA-N 249.274 1.551 30 50 BDEA CN(C)C(=O)COc1cc(F)cc(C#N)c1 289633440 MOOGLRCSWWVCIG-UHFFFAOYSA-N 222.219 1.164 30 50 BDEA CC[C@@H](C(=O)N1CCC(C#N)CC1)N(C)CC 822544878 UIQJNHQGFHUNQW-LBPRGKRZSA-N 237.347 1.479 30 50 BDEA CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C 169746826 IXTBQKLZPOYJFJ-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro C=C[C@@H]1CCN(c2cc(N(C)C)nc(N)n2)C1 1704311422 IWGVWHNPWITCCD-SECBINFHSA-N 233.319 1.137 30 50 BDEA N#Cc1ccccc1OCCCn1cncn1 2845155 RYXZALPLWZEMKM-UHFFFAOYSA-N 228.255 1.619 30 50 BDEA in-vitro C#Cc1ncoc1C1CN(C(=O)OC(C)(C)C)C1 1857780611 XDUIHRCQANQIKZ-UHFFFAOYSA-N 248.282 1.990 30 50 BDEA Cc1c(-c2ccoc2)cc(C#N)c(=O)n1C 1875339000 SJZCRYGULUIDAM-UHFFFAOYSA-N 214.224 1.825 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](C#N)C(=O)C12CC2 91690676 DNIYOGZTRAUIBF-MRVPVSSYSA-N 236.271 1.479 30 50 BDEA N#Cc1cc(O)c(C(=O)O)c(Br)c1 263623362 GUGYTPPBEBMQAL-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C#CCCCCCCN1CC[C@@H](C(N)=O)C1 583650743 AEAXTJFICQELNP-GFCCVEGCSA-N 222.332 1.377 30 50 BDEA N#Cc1cc(F)ccc1N1CCC(C(=O)O)CC1 111025674 NXGXXQTYLAETER-UHFFFAOYSA-N 248.257 1.998 30 50 BDEA in-vitro CC#CC(=O)NCc1nccc(C(F)F)n1 1117714571 GCBZRJHSVDZUIN-UHFFFAOYSA-N 225.198 1.054 30 50 BDEA CCSc1cccnc1C(=O)N1CC(C#N)C1 590766322 XCQOQYSIHYBHKU-UHFFFAOYSA-N 247.323 1.789 30 50 BDEA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21C=O 1857780846 VJNXTYPBBWDBGA-KBVBSXBZSA-N 225.288 1.879 30 50 BDEA C=C1CC(N(C)c2ccc3nncn3n2)C1 1875294629 KXEMXEKDJXRXGP-UHFFFAOYSA-N 215.260 1.279 30 50 BDEA C[C@H]1S/C(=N/C(=O)c2ccco2)NC1=O 8816979 FDLRGFCBXMSKBP-RXMQYKEDSA-N 224.241 1.027 30 50 BDEA C#CCOc1cc(OCC#C)cc(OCC#C)c1 35962984 WVZIFQJSKQJHDU-UHFFFAOYSA-N 240.258 1.723 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)o1 199593383 KKXBGDVHCQOKBO-UHFFFAOYSA-N 209.054 1.282 30 50 BDEA CCCCOc1cccc(CC(=O)NO)c1 198971267 WRRCDZYAJXERQT-UHFFFAOYSA-N 223.272 1.913 30 50 BDEA C#CC(=O)N(C)[C@H](C)c1ccccc1F 692929853 HRSRLJPIHPUTGJ-SECBINFHSA-N 205.232 1.978 30 50 BDEA C=CCN(CC=C)C(=O)c1ccncc1 475063 RHYPFEJHEMLRKI-UHFFFAOYSA-N 202.257 1.896 30 50 BDEA C[C@@H]1CN(C(=O)[C@@H]2CO2)[C@H](c2ccccc2)CO1 1875372431 FXVHKMKKDMTKDH-WXHSDQCUSA-N 247.294 1.374 30 50 BDEA C=CCN1CCN(C(=O)c2ccccc2F)CC1 59880428 AKXSCYJADDQULG-UHFFFAOYSA-N 248.301 1.770 30 50 BDEA O=C1C=CC(=O)C(c2ccc(F)cc2)=C1 540207 POJNEPOPFVPIIX-UHFFFAOYSA-N 202.184 1.917 30 50 BDEA COc1ccc(NC(=O)CSCC#N)cc1 2877191 WMAWMKYWFMWFGD-UHFFFAOYSA-N 236.296 1.890 30 50 BDEA CN(C)CC(=O)Nc1ccccc1C#N 4832134 JFANJAKGRPPATD-UHFFFAOYSA-N 203.245 1.058 30 50 BDEA CC[C@@H](C#N)NC(=O)Cc1ccc2c(c1)CCO2 263806165 LZUUMEQEVKFKLE-LBPRGKRZSA-N 244.294 1.582 30 50 BDEA COC(=O)C[C@@H](C#N)c1ccc(O)cc1 98213350 SBRXCXMQSXUVHX-VIFPVBQESA-N 205.213 1.562 30 50 BDEA in-vitro C[C@@H]1CN(c2cc(C#N)cnn2)C[C@H](C2CC2)O1 408522875 DPYZEIWDZAMVSM-BXKDBHETSA-N 244.298 1.352 30 50 BDEA CCc1ccc(CN2CC(O)(CC#N)C2)cc1 170086098 DSRKXXYDNKFEOZ-UHFFFAOYSA-N 230.311 1.709 30 50 BDEA N#Cc1c[nH]c(C(=O)N2CCC=C(F)C2)c1 273042373 GLTDCWFWBCDEMJ-UHFFFAOYSA-N 219.219 1.586 30 50 BDEA C#CCN(C)C(=O)c1ccc(F)c(NC(C)=O)c1 191116897 OAOAFLHINMKESW-UHFFFAOYSA-N 248.257 1.489 30 50 BDEA C=CC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 228970743 YDPNQGABOGKVRF-LBPRGKRZSA-N 227.304 1.934 30 50 BDEA in-vitro C[C@H](C#N)CS(=O)(=O)c1ccccc1 20223317 BHDLMZJQXYZHBO-SECBINFHSA-N 209.270 1.620 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)C2CCOCC2)C1 612244605 FISBCMUZNWARQG-ZDUSSCGKSA-N 236.315 1.565 30 50 BDEA C[C@H](CN(C)c1ccc(F)cc1C#N)C(=O)O 111026001 ZUYKHVRMVDCDJD-MRVPVSSYSA-N 236.246 1.854 30 50 BDEA N#Cc1cc([N+](=O)[O-])ccc1-n1cccn1 58824556 WEXDLUQSKVCVHE-UHFFFAOYSA-N 214.184 1.652 30 50 BDEA C#CCCCN1CCOC[C@@H]1c1nnc(C)o1 375730749 LPTLYRYKMAZEQS-LLVKDONJSA-N 235.287 1.165 30 50 BDEA CC#CCNC(=O)[C@H]1CCC(F)(F)C1 334639281 BRKKRXIZNQKGGY-QMMMGPOBSA-N 201.216 1.561 30 50 BDEA CC1=C[C@@H]2C=C[C@@H]3C[C@H](OS(C)(=O)=O)[C@H]1[C@H]32 253589474 GIANXRWUNDVYDF-OSUNSFLBSA-N 240.324 1.729 30 50 BDEA N#Cc1ccc(N[C@@H]2CCC[C@@H]2O)cn1 195575423 DITIACMFQFXZLJ-MNOVXSKESA-N 203.245 1.279 30 50 BDEA C[C@H]1CN(c2ncncc2C#N)C[C@@H](C2CC2)O1 408522120 DDZQCPDHBFXFBJ-CABZTGNLSA-N 244.298 1.352 30 50 BDEA C#C[C@H](OCC)n1nnc2ccccc21 5334558 AWZFBWSBIRBMNW-NSHDSACASA-N 201.229 1.600 30 50 BDEA N#Cc1ccc(C(=O)O[C@H](C#N)C2CC2)[nH]1 154499672 LBGWGWKDRDSUKW-SNVBAGLBSA-N 215.212 1.345 30 50 BDEA CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 849422228 SLRDLHUFNPHKSS-CYBMUJFWSA-N 229.283 1.485 30 50 BDEA Cc1ccoc1CN=C1N[C@@H]2CCC[C@H]2N1 1776004814 YFAUVVNJUYPDEN-NXEZZACHSA-N 219.288 1.558 30 50 BDEA N#Cc1ccc(=N[C@H]2CC[C@@H](F)C2)[nH]c1 336494811 PRQSFQUFJIZJCH-ZJUUUORDSA-N 205.236 1.678 30 50 BDEA O/N=c1\sc2ccccc2n1CCS 4948200 LOXRZEGJJDSLSP-KTKRTIGZSA-N 226.326 1.923 30 50 BDEA O/N=C/c1ccc(Br)cn1 115740321 REIWTWVVFCFHCB-RUDMXATFSA-N 201.023 1.652 30 50 BDEA CC[C@](C)(C#CCN1CCCC1)OC(C)=O 52912 NLETVZCVZIVNST-CYBMUJFWSA-N 223.316 1.817 30 50 BDEA CO[C@@H](C)C(=O)Nc1ccc(C#N)c(F)c1 291427509 GOMMSHKPZMGGPX-ZETCQYMHSA-N 222.219 1.671 30 50 BDEA Cc1[nH]nc(CNc2ncccc2C#N)c1C 716452310 SNYYBPDPTBSOAL-UHFFFAOYSA-N 227.271 1.905 30 50 BDEA COC(=O)[C@@H]1O[C@@H]1c1ccc(C#N)cc1 12336842 BGZXIMFTXAMVRB-NXEZZACHSA-N 203.197 1.171 30 50 BDEA C[C@H]1CN(c2ncncc2C#N)C[C@H](C2CC2)O1 408522121 DDZQCPDHBFXFBJ-JOYOIKCWSA-N 244.298 1.352 30 50 BDEA O=C([C@@H]1CO1)N1C[C@@H](F)C[C@H]1c1ccccc1 1875373043 SKRPVYRFNZKIDP-SRVKXCTJSA-N 235.258 1.697 30 50 BDEA Cc1nc(N2CC[C@@H](N)C2)c(Cl)cc1C#N 261592752 WDNZDUDOLUBMES-SECBINFHSA-N 236.706 1.453 30 50 BDEA FC(F)(F)C(F)(F)COC[C@@H]1CO1 16082649 ABTNQISXTOWQTC-SCSAIBSYSA-N 206.110 1.599 30 50 BDEA in-vitro CCOC(=O)c1c(C)[nH]c(/C=N/O)c1O 100208557 WLZLJGKPIZGSMP-ONNFQVAWSA-N 212.205 1.014 30 50 BDEA Cc1cn(C)nc1CNc1ncccc1C#N 723522741 SFXGVRIPYHBBHD-UHFFFAOYSA-N 227.271 1.607 30 50 BDEA CC(C)OS(=O)(=O)c1ccccc1 2525445 YQZZXXKFKTWDPY-UHFFFAOYSA-N 200.259 1.800 30 50 BDEA in-vitro C=CCn1c(CCNC=O)nc2ccccc21 4810262 YIZHPTRWDSSDBG-UHFFFAOYSA-N 229.283 1.511 30 50 BDEA CC(C)(C)OC(=O)N1CCC(O)(CC#N)CC1 21303845 WQWMUDUIUQIEII-UHFFFAOYSA-N 240.303 1.662 30 50 BDEA NC1=C(Cl)C(=O)c2ccccc2C1=O 1506256 OBLNWSCLAYSJJR-UHFFFAOYSA-N 207.616 1.475 30 50 BDEA biogenic,in-vitro CC(C)[C@H]1OCC[C@@H]1CNc1cnc(C#N)cn1 126378523 USSYLVOSHZRBMY-ZWNOBZJWSA-N 246.314 1.821 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](C=O)C2(CC2)C1 675050714 JYMNJYSFLRQUPF-VIFPVBQESA-N 225.288 1.832 30 50 BDEA CC1(C)OB(c2ccc(O)c(N)c2)OC1(C)C 169743556 RXHWPAXQYXTPJB-UHFFFAOYSA-N 235.092 1.274 30 50 BDEA in-vitro N#Cc1ccc(CNc2[nH]ncc2C#N)cc1 241446972 NQCGZYRFNKVKMI-UHFFFAOYSA-N 223.239 1.765 30 50 BDEA CN(C)c1ncccc1B1OC(C)(C)C(C)(C)O1 206104771 CZXCVLVXSBIKNK-UHFFFAOYSA-N 248.135 1.447 30 50 BDEA C#CCCN(C(=O)C#CC)C1CCOCC1 1875367310 UGFHJMDHPQRTTP-UHFFFAOYSA-N 219.284 1.041 30 50 BDEA COc1ccc(C[C@H]2CCN2C(=O)[C@@H]2CO2)cc1 1875372296 CCBZSLIUFOUCDA-YPMHNXCESA-N 247.294 1.237 30 50 BDEA CN(CCC#N)c1ncc(C#N)cc1Cl 268072765 FPBHRUOJMHOHOD-UHFFFAOYSA-N 220.663 1.957 30 50 BDEA CCOC(=O)[C@H](C#N)C(=S)Nc1ccccn1 391021 QKQNKXIZVDRTQF-MRVPVSSYSA-N 249.295 1.524 30 50 BDEA C=C[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O 6692423 MFZPVVWDHKXMOL-UTUOFQBUSA-N 206.241 1.648 30 50 BDEA C=CCN(Cc1ccccn1)[C@@H]1CCCNC1 67604038 KMUSAMPTPVJAAP-CQSZACIVSA-N 231.343 1.822 30 50 BDEA CN1[C@H]2CC[C@H]1CN(c1ccc(C#N)nc1)CC2 250645955 VHPRAULUNBLAQK-JSGCOSHPSA-N 242.326 1.626 30 50 BDEA CNS(=O)(=O)c1ccc(C#N)cc1Cl 145367840 CCOFBSBDGFHIEZ-UHFFFAOYSA-N 230.676 1.120 30 50 BDEA Cc1ccncc1B1OC(C)(C)C(C)(C)O1 169986678 GZYZXNXJTPRMKF-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA in-vitro CC#CC(=O)N[C@H]1CCOC[C@H]1CC(C)C 1875379159 NYPYNMZMNTZQPX-NEPJUHHUSA-N 223.316 1.577 30 50 BDEA C=CCc1c(C)nc(C)nc1NCCO 2066623 XLUBGKFCQBYKCD-UHFFFAOYSA-N 207.277 1.226 30 50 BDEA N#Cc1nncn1Cc1c(F)cccc1Cl 9315150 WFMJHUCZRWXODE-UHFFFAOYSA-N 236.637 1.991 30 50 BDEA N#C[C@@H](c1cscn1)N1CCOCC1 126728888 NAAZCFFWMHFVPO-VIFPVBQESA-N 209.274 1.040 30 50 BDEA CCN(CC#N)C(=O)[C@@H]1CCCO[C@H]1C 336082599 FTVJBGHZTRVFNS-VHSXEESVSA-N 210.277 1.174 30 50 BDEA CC(C)(C)C(=O)Nc1cc(C=O)cnc1C#N 66054234 FRQDOYCGDQZWFA-UHFFFAOYSA-N 231.255 1.750 30 50 BDEA in-vitro C[Si](C)(C)C#Cc1cccnc1C(N)=O 169794042 OGACQPYTBNGLQD-UHFFFAOYSA-N 218.332 1.409 30 50 BDEA in-vitro C#CC[C@@H](CO)NC(=O)Nc1c(C)cccc1C 583651660 QJOSGNFZJRFLLJ-LBPRGKRZSA-N 246.310 1.809 30 50 BDEA N#Cc1ccc(N2CCNCC2)c(F)c1 5616215 VMOBEAUQUPPPON-UHFFFAOYSA-N 205.236 1.107 30 50 BDEA in-vitro CCOC(=O)[C@H](C#N)c1ccc([N+](=O)[O-])cc1 34617051 KVRRHMXPWJVDRK-SNVBAGLBSA-N 234.211 1.765 30 50 BDEA in-vitro N#CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 162681372 SRKUXNZMNFXIBC-GHMZBOCLSA-N 206.289 1.843 30 50 BDEA COC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)C(C)=O 2546498 WARDNZKOILNKQP-YVMONPNESA-N 239.183 1.333 30 50 BDEA C=C1C[C@H]1C(=O)NO[C@@H](C)c1ccncc1 1875297976 KHFROEAFUNMHFO-GXSJLCMTSA-N 218.256 1.767 30 50 BDEA c1cn(-c2ccc(OC[C@@H]3CO3)cc2)nn1 1875379460 QSQRSOIDKOANKG-LLVKDONJSA-N 217.228 1.045 30 50 BDEA CS(=O)(=O)c1nc2c(cc1C#N)CCCC2 4099775 KUOFRRPLEGSJPH-UHFFFAOYSA-N 236.296 1.236 30 50 BDEA C=C[C@](C)(O)CC(=O)N[C@H](CO)CC(C)(C)C 225707707 CQJRXODXSPFWDJ-GWCFXTLKSA-N 243.347 1.227 30 50 BDEA CC(C)[C@]1(CO)CCN(c2ccnc(C#N)c2)C1 377974525 DENOSZSDMGQLQZ-CQSZACIVSA-N 245.326 1.798 30 50 BDEA Cc1cc(C)n(N=Cc2ccco2)c(=O)c1C#N 252438217 DWVOZJJPKRMKDG-UHFFFAOYSA-N 241.250 1.812 30 50 BDEA C=C[C@@H](C)OC(=O)c1cccc(-n2cccn2)n1 187575627 KXFYWSSMGMEZTQ-SNVBAGLBSA-N 243.266 1.999 30 50 BDEA Cc1cn(C)nc1COC(=O)c1ccc(C#N)o1 909341493 XUAKXYMRXBWDLO-UHFFFAOYSA-N 245.238 1.550 30 50 BDEA CC(=O)C1=C(NCc2ccccc2)CCC1=O 100660352 ADNHFRGBMXSNAP-UHFFFAOYSA-N 229.279 1.982 30 50 BDEA N#CCNC(=O)c1ccc(C#N)c(Cl)c1 124690983 HNAXXCHCGILGOU-UHFFFAOYSA-N 219.631 1.465 30 50 BDEA CCc1nnc(CN(CC#N)C2CC2)o1 331543681 URMGNFFCHIWAKX-UHFFFAOYSA-N 206.249 1.120 30 50 BDEA CCCCCCCN1C[C@@H](O)C[C@H]1C(=O)O 71788289 QWMDYNIEGNYUSY-QWRGUYRKSA-N 229.320 1.477 30 50 BDEA in-vitro CCC#CCN1CCCN(C(=O)C2(C)CC2)CC1 1772812464 JOUONRBBXZHDBB-UHFFFAOYSA-N 248.370 1.734 30 50 BDEA C[C@@H]1CN(C(=O)[C@@H]2CO2)C[C@H](c2ccccc2)O1 1875372473 GULUYBSFPPQENK-RTXFEEFZSA-N 247.294 1.374 30 50 BDEA CC#CC(=O)N[C@H]1CC[C@@H](Oc2ccncc2)C1 1875376577 BJCUPDCWBTYRHJ-WCQYABFASA-N 244.294 1.521 30 50 BDEA CC(=O)C(=Cc1ccccc1O)C(C)=O 289306 DDMYUHBSCSXTAY-UHFFFAOYSA-N 204.225 1.954 30 50 BDEA N#CCNC(=O)c1coc(-c2ccccc2)n1 157915583 FYKAMVQFGURQNB-UHFFFAOYSA-N 227.223 1.595 30 50 BDEA COc1cccc(C#N)c1OCC(=O)O 2581968 WSXLKIGRQBXNKN-UHFFFAOYSA-N 207.185 1.030 30 50 BDEA Cc1cc(Cn2cc(C#N)ccc2=O)on1 253393522 FKBUGAVDNVUKJQ-UHFFFAOYSA-N 215.212 1.065 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H]2CC1 140450053 QNJVBPPJFXYXHP-RKDXNWHRSA-N 213.277 1.785 30 50 BDEA Cc1nc(N[C@@H]2CCCC[C@H]2O)ccc1C#N 291667672 PPXYDVHGNPJHOI-VXGBXAGGSA-N 231.299 1.977 30 50 BDEA CC(C)(C)OC(=O)N[C@H]1CCNC[C@H]1C#N 259589013 DYTDNFOYOXANOW-BDAKNGLRSA-N 225.292 1.013 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@H]2O[C@@H]2C1 100055957 PHSSLYCBJRMEEV-VXGBXAGGSA-N 233.267 1.796 30 50 BDEA in-vitro Cc1cc(/C=N/N2CCOCC2)cc(C)c1O 434747 IIISMYDMRFFSSY-NTEUORMPSA-N 234.299 1.675 30 50 BDEA CC(C)[C@@]1(CO)CCN(c2cnccc2C#N)C1 368177030 ONJDMLDHKCERSP-AWEZNQCLSA-N 245.326 1.798 30 50 BDEA CCCCOC(=O)C1=CC(=O)CC(C)(C)O1 1687164 OKIJSNGRQAOIGZ-UHFFFAOYSA-N 226.272 1.982 30 50 BDEA in-man COCCNC(=O)[C@H](C#N)c1ccccc1 2845904 OFKIGQQRGRUQSL-LLVKDONJSA-N 218.256 1.056 30 50 BDEA N#CCc1nn2c(-c3ccco3)ccnc2c1C#N 4072965 AQXVBKITINVVIH-UHFFFAOYSA-N 249.233 1.927 30 50 BDEA N#CCN1C(=O)N2CCN=C2c2ccccc21 40385429 ZKYXCICSALQPCO-UHFFFAOYSA-N 226.239 1.212 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C=O)C1 216161927 ZLATZYJENAGYJD-CABZTGNLSA-N 225.288 1.832 30 50 BDEA CNC(=NC[C@H](C)c1ccc(F)cc1F)NC 170642344 FDGALZXQORTWKG-QMMMGPOBSA-N 241.285 1.863 30 50 BDEA CC(C)CCCN(C)CCCNC(=O)/C=N\O 12382200 SWUUJKQPUILMTP-UVTDQMKNSA-N 243.351 1.321 30 50 BDEA COc1cccc([C@@H]2C[C@H]2NC(=O)[C@H]2CO2)c1 1875372755 MGSFLGGJCFUCCC-QJPTWQEYSA-N 233.267 1.066 30 50 BDEA O=C1CCCC(=O)C1=CNCc1ccccc1 100918108 FBPZOSSSYCMJRT-UHFFFAOYSA-N 229.279 1.982 30 50 BDEA N#CCS(=O)(=O)Cc1ccc(Cl)cc1 95006 FEOYOHMXFJDACL-UHFFFAOYSA-N 229.688 1.778 30 50 BDEA in-vitro CC1(CNC(=O)Nc2ccc(C#N)nc2)COC1 299771789 UQGRPNYKZBRPJS-UHFFFAOYSA-N 246.270 1.111 30 50 BDEA CC[C@](O)(CCCO)CNc1cc(C#N)ccn1 828747883 LDUSBZLXDMXJNF-ZDUSSCGKSA-N 249.314 1.279 30 50 BDEA C=C(C)C[C@H](C)C(=O)Nc1nncn1C 188820336 FZEQISJAXBQPTE-QMMMGPOBSA-N 208.265 1.356 30 50 BDEA COc1cc(CC#N)c([N+](=O)[O-])cc1C 113277511 QDEXOWJAFUXQEB-UHFFFAOYSA-N 206.201 1.978 30 50 BDEA in-vitro C[C@@H]1C[C@@H]1c1nc(C#N)c(N2CCOCC2)o1 1775965065 TYRSKDOMUQCVQB-BDAKNGLRSA-N 233.271 1.506 30 50 BDEA O=C1CC[C@@H](Cc2cccc(OC[C@H]3CO3)c2)O1 1875379496 RJAYKMUMXYMKBZ-STQMWFEESA-N 248.278 1.712 30 50 BDEA O=C(N[C@@H]1CC[C@@H]1c1ccccc1)[C@@H]1CO1 1875373356 YWTXSJOBYZNGHE-UTUOFQBUSA-N 217.268 1.448 30 50 BDEA CC#CC(=O)N1c2ccccc2C[C@H]1C(=O)OC 1875363019 PANSXFCFDWMYEF-LBPRGKRZSA-N 243.262 1.141 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccc(C)cc1C 2838117 MGCQVCUZWKGVJJ-UHFFFAOYSA-N 232.283 1.544 30 50 BDEA N#CCCn1nc(-c2ccc(F)cc2)ccc1=O 4324655 DIUYQLFOJVJPMC-UHFFFAOYSA-N 243.241 1.963 30 50 BDEA C=CCn1nnnc1NC/C=C/c1ccccc1 6856369 KTROWSIIOTUKTD-RMKNXTFCSA-N 241.298 1.984 30 50 BDEA CC(C)/N=C(/S)NCc1cccnc1 8683490 AAEULRSAZVNPNS-UHFFFAOYSA-N 209.318 1.865 30 50 BDEA C=CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 176484288 ZTMWNHDPAUPDKF-UWVGGRQHSA-N 223.320 1.097 30 50 BDEA CCCCCCCC(=O)NCC[C@H](O)C(=O)O 232928128 BZNGYHNJPYQQMP-JTQLQIEISA-N 245.319 1.299 30 50 BDEA C#C[C@]1(C)CCCN1CC(=O)OC(C)(C)C 725239842 IOVIFYGNRCQCJE-CYBMUJFWSA-N 223.316 1.816 30 50 BDEA CC1(C)OB(c2ccc(C(=O)O)o2)OC1(C)C 170019559 GQNVIDPLCCFIIN-UHFFFAOYSA-N 238.048 1.277 30 50 BDEA in-vitro COC(=O)[C@@H](C#N)[C@H](C#N)c1ccccc1 393760 CCUQFUPPDNKKGG-MNOVXSKESA-N 214.224 1.607 30 50 BDEA in-vitro C[C@]1(C#N)CCCN(CC(=O)N2CCCC2)C1 612158310 KFVKZIOVFXQPNW-CYBMUJFWSA-N 235.331 1.234 30 50 BDEA CC(NCCCO)=C1C(=O)c2ccccc2C1=O 100558666 DCFNBZVVIOIGLO-UHFFFAOYSA-N 245.278 1.312 30 50 BDEA Cc1ccc(N2CC[C@H](C#N)C2=O)cc1 12336632 RCFHBENPHFOKST-SNVBAGLBSA-N 200.241 1.872 30 50 BDEA in-vitro CC(=O)N=C1C(=O)[C@H](c2ccccc2)N(C)N1C 409415871 NYUXDJQDANIFPU-NSHDSACASA-N 245.282 1.034 30 50 BDEA Cc1nn(-c2ccccc2F)c(N)c1C#N 38537067 QNBKHEZBLNRZEU-UHFFFAOYSA-N 216.219 1.774 30 50 BDEA in-vitro CC1(C)OB(c2cc(C#N)ccc2O)OC1(C)C 206121636 NMUWCXXOUQWGAW-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA C[C@@H](CC#N)N1CCC[C@@H](Cn2ccnn2)C1 221673362 QFBGPRWATJXKON-NWDGAFQWSA-N 233.319 1.292 30 50 BDEA CC#CC(=O)NC[C@@H](C)c1ccsc1 1875363232 JTAWBONDBOEJHC-SECBINFHSA-N 207.298 1.991 30 50 BDEA O=[N+]([O-])c1ccc(C=Nn2cnnc2)cc1 14137728 IMKCCYNECUHUSO-UHFFFAOYSA-N 217.188 1.069 30 50 BDEA CC#CC(=O)N[C@H]1CN(CC)Cc2ccccc21 1875377135 UANHWZLEEGYQJI-AWEZNQCLSA-N 242.322 1.703 30 50 BDEA Cc1nnc(C/N=C(/O)c2ccoc2)n1C 330641995 DEVNNCMOAWFMPT-UHFFFAOYSA-N 220.232 1.221 30 50 BDEA O=C(C[n+]1ccccc1)c1cccs1 1669509 WKUPZTGABKYWSI-UHFFFAOYSA-N 204.274 1.919 30 50 BDEA Cc1ccc(S(=O)(=O)ON=C(C#N)C#N)cc1 2140884 XNCHCTURBIVYBC-UHFFFAOYSA-N 249.251 1.103 30 50 BDEA CC(/C=C/c1ccccc1)=N/NS(C)(=O)=O 4989732 YAWXBOSEEMXFAI-ZLNDROGTSA-N 238.312 1.625 30 50 BDEA CCn1cnnc1CNc1ccc(C#N)nc1 158183275 VVHIMOAIAHLUDE-UHFFFAOYSA-N 228.259 1.177 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@](N)(C#N)C1 84193656 IKNNCAWTKRMFSG-NSHDSACASA-N 225.292 1.238 30 50 BDEA CC1(C)OB(c2cccnc2F)OC1(C)C 169745935 YYOZFGQOPNTVGM-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro CCOC(=O)Cc1ccc(N)c(C#N)c1 1249882050 JKYVGEOYNJFFMM-UHFFFAOYSA-N 204.229 1.246 30 50 BDEA CCCc1nc(O)c(C(N)=O)c(C#N)c1C 257540342 DBKIQKSLMBYCMM-UHFFFAOYSA-N 219.244 1.019 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnn1 169936636 MQWXDVWVTXQWQR-UHFFFAOYSA-N 220.081 1.084 30 50 BDEA COc1ccc(N2CC[C@H](C#N)C2=O)cc1 12336639 WJNKWJPPJNXMOJ-SECBINFHSA-N 216.240 1.572 30 50 BDEA in-vitro N#Cc1cccc(C(=O)NCC2(CO)CCC2)c1 183189091 SHTLQCMJVOPVQA-UHFFFAOYSA-N 244.294 1.451 30 50 BDEA CC[C@@]1(O)CCN(c2cccnc2C#N)C1 575633687 ZKHUPLZFBKOPJF-GFCCVEGCSA-N 217.272 1.304 30 50 BDEA O=C1C=C(Cl)C(=O)C(Cl)=C1Cl 1593823 KSFNQTZBTVALRV-UHFFFAOYSA-N 211.431 1.950 30 50 BDEA COCc1cncc(B2OC(C)(C)C(C)(C)O2)c1 199476041 HVUZCEBLLIWKEE-UHFFFAOYSA-N 249.119 1.527 30 50 BDEA C#CCN(C)Cc1nnc(C)n1CCC 170611973 XKDPVPCSUZNMKD-UHFFFAOYSA-N 206.293 1.062 30 50 BDEA CC(C)CN1CCN(c2ccc(C#N)nc2)CC1 156839879 YTTUSGJNBRHIBW-UHFFFAOYSA-N 244.342 1.731 30 50 BDEA CCOc1ccccc1/C(O)=N/c1nn[nH]n1 8325564 JZGRVVCXRKFNFF-UHFFFAOYSA-N 233.231 1.235 30 50 BDEA OCC#CCSc1nnc(-c2ccccc2)o1 2832729 CRMXTXDNDFATGJ-UHFFFAOYSA-N 246.291 1.824 30 50 BDEA O=C1C=C(N2CCCC2)C(=O)C=C1N1CCCC1 3077803 GYUIXAPAIDKHJA-UHFFFAOYSA-N 246.310 1.098 30 50 BDEA C#CCN(C)[C@H](CC(N)=O)c1ccccc1 280335296 HYROYAHXRIVTIC-GFCCVEGCSA-N 216.284 1.168 30 50 BDEA C=CCC1(CC=C)CCCN1C(=O)C1(N)CC1 71745861 YYFDRUZDMOPYGK-UHFFFAOYSA-N 234.343 1.991 30 50 BDEA COc1cccc([C@@H]2C[C@@H](O)CN2CC#N)c1 282217896 OUEQGGZTUAVNAJ-YPMHNXCESA-N 232.283 1.326 30 50 BDEA CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169746467 KSAMKARQFVLMFC-UHFFFAOYSA-N 248.135 1.447 30 50 BDEA in-vitro CC#CC(=O)NCc1ncc(-c2cccs2)[nH]1 801194637 ODEUGWXULQHXBU-UHFFFAOYSA-N 245.307 1.778 30 50 BDEA C=CCOC(=O)N1CCCC2(CCNCC2)C1 498050511 JIXMEXHXBPOKPK-UHFFFAOYSA-N 238.331 1.775 30 50 BDEA C/C(=N\NC(N)=S)c1cccc([N+](=O)[O-])c1 12403569 NFJPLHYZNDOBTD-IZZDOVSWSA-N 238.272 1.152 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(O)c1 189745 WKUHDHCCESEGAD-GFCCVEGCSA-N 246.266 1.609 30 50 BDEA N#C[C@@H]([C@H]1CC=CCC1)N1CCOCC1 20413673 CQZNTLAXGNDCHI-RYUDHWBXSA-N 206.289 1.567 30 50 BDEA NC(=S)NN=CC=Cc1ccccc1 1875408616 SHUQFXIRXYXNOZ-UHFFFAOYSA-N 205.286 1.519 30 50 BDEA Fc1ccc(/C=N/c2nnc3[nH]cnn23)cc1 5731086 GLRYMWGFUPUQAN-LFYBBSHMSA-N 230.206 1.342 30 50 BDEA CC(=O)/C(=C/c1ccc(N(C)C)cc1)[N+](=O)[O-] 2831807 NCABOQCGLCVXAA-WQLSENKSSA-N 234.255 1.959 30 50 BDEA C#C[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1 167051257 SYNSVBXIOADCBP-ZCFIWIBFSA-N 249.744 1.702 30 50 BDEA Cc1cc(C(=O)N2CCC[C@H](C#N)C2)nnc1C 1875308903 GXOUQZPVXZZPQM-LLVKDONJSA-N 244.298 1.469 30 50 BDEA CC1(NS(=O)(=O)c2ccc(C#N)cc2)CC1 135474997 GQYVOEGTZSJVHC-UHFFFAOYSA-N 236.296 1.389 30 50 BDEA CCOC(=O)[C@H](C#N)C(=O)c1ccc(N)cc1 51013 KKXODNXRKUAVRF-SNVBAGLBSA-N 232.239 1.154 30 50 BDEA Cc1c(Cl)ccc2c1NC(=O)/C2=N\O 6556443 PNSCLWDBNGJLCG-UHFFFAOYSA-N 210.620 1.779 30 50 BDEA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCC#N 247848749 QGQOPXUGUQJGBN-UTUOFQBUSA-N 236.315 1.706 30 50 BDEA CC#CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 283917917 YEJYIFQWKMUOMJ-VIFPVBQESA-N 233.267 1.168 30 50 BDEA C#CCOCCOCCNC(=O)OC(C)(C)C 149508563 WBOOWEAGRWGHMV-UHFFFAOYSA-N 243.303 1.178 30 50 BDEA C=C(Br)Cn1cncc(OC)c1=O 585134728 HSAGIJHLPAWWSK-UHFFFAOYSA-N 245.076 1.161 30 50 BDEA C#CC[C@H](O)c1ccccc1[C@H](O)CC#C 18043757 XBBNTCTUWOYKJA-OKILXGFUSA-N 214.264 1.800 30 50 BDEA C=CCNC(=O)CN1CC=C(c2cccnc2)C1 1875274963 HLOJLNJDXAZZFC-UHFFFAOYSA-N 243.310 1.083 30 50 BDEA C#CCOc1nnc(-c2ccccc2)o1 225440237 SGANNZIHJBMURC-UHFFFAOYSA-N 200.197 1.749 30 50 BDEA N#CCSc1n[nH]c(NN=C2CCCC2)n1 6855113 ONYYCZZLAJQDQH-UHFFFAOYSA-N 236.304 1.762 30 50 BDEA CCn1cc(CN(C)C[C@H]2CCOC2)cc1C#N 826773352 XUPLMKAVONBJQV-GFCCVEGCSA-N 247.342 1.848 30 50 BDEA COc1cncc(C#N)c1[Si](C)(C)C 169794073 ZCNLVKRBBKJZFI-UHFFFAOYSA-N 206.321 1.507 30 50 BDEA in-vitro O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CO1 1875373338 YTLNMJSIHPOLIP-VIFPVBQESA-N 245.200 1.720 30 50 BDEA CC#CC(=O)N[C@H]1CCOC[C@@H]1CC(C)C 1875379162 NYPYNMZMNTZQPX-RYUDHWBXSA-N 223.316 1.577 30 50 BDEA Cc1nc(SCC(N)=O)c(C#N)c(C)c1C 289354 GLKSCENDYULCJF-UHFFFAOYSA-N 235.312 1.456 30 50 BDEA c1cc(OC[C@H]2CO2)cc(OC[C@H]2CO2)c1 1707983 WPYCRFCQABTEKC-RYUDHWBXSA-N 222.240 1.242 30 50 BDEA in-vitro N#Cc1cccc(NC(=O)N[C@H]2C[C@@H](O)C2)c1 297569252 WQHOBNYOBSFKMP-PHIMTYICSA-N 231.255 1.203 30 50 BDEA C#CCCCCCCN1CC[C@H](C(N)=O)C1 583650744 AEAXTJFICQELNP-LBPRGKRZSA-N 222.332 1.377 30 50 BDEA CC[C@@H]1CN(c2nc(C#N)ncc2C)CCN1C 1875290028 KJCWNSUHAIDHJM-LLVKDONJSA-N 245.330 1.187 30 50 BDEA C=CCCc1noc([C@H]2CCCc3nn[nH]c32)n1 952893376 IVJSZTBOSKBYLK-QMMMGPOBSA-N 245.286 1.775 30 50 BDEA C[C@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CO1 1875325362 MCWJNKMJWCKKDU-TZMCWYRMSA-N 231.295 1.791 30 50 BDEA C[C@@]1(C#N)CCCN(CC(=O)N2CCCC2)C1 612158311 KFVKZIOVFXQPNW-ZDUSSCGKSA-N 235.331 1.234 30 50 BDEA C=CCNCc1cc(OC)ccc1OC 3882416 ZEPMUDBSVAADKW-UHFFFAOYSA-N 207.273 1.979 30 50 BDEA C=CCn1nc(CC#N)cc(C(F)(F)F)c1=O 225553125 GLPZLAURKKDETC-UHFFFAOYSA-N 243.188 1.514 30 50 BDEA C#C[C@@H](NC(=O)N[C@@H]1CCSC1)C(C)C 252479536 BHFRQKPMEIHWQY-NXEZZACHSA-N 226.345 1.449 30 50 BDEA Cc1cc(C(=O)NCC#N)ccc1Cl 125220509 JMIKHKPZJJJJRH-UHFFFAOYSA-N 208.648 1.902 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 169746153 XYNDKPYVNTVDAH-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA in-vitro C=C(C)C[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 186401185 YOTVYHIKYBJCON-QMMMGPOBSA-N 243.270 1.694 30 50 BDEA C[C@H]1C[C@@H](C)N1C(=O)CC1(C#N)CCOCC1 597592488 VRZHQSCMJMEXKQ-PHIMTYICSA-N 236.315 1.706 30 50 BDEA CC#CC(=O)N(CCC#N)[C@H](C)C1CC1 1875363169 YDPVOQOMWJFWQY-SNVBAGLBSA-N 204.273 1.550 30 50 BDEA COc1ccc2cc(C#N)c(=O)oc2c1 57991 GGAFPIBJPYCFGR-UHFFFAOYSA-N 201.181 1.673 30 50 BDEA biogenic,in-vitro C#CCCN1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 685939553 UHRQCQCYMXKZGT-WDNDVIMCSA-N 246.354 1.200 30 50 BDEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 1604343 SLRAUCUDDYGPJP-BDAKNGLRSA-N 211.261 1.180 30 50 BDEA CCOC(=O)C(CCC#N)(CCC#N)C(C)=O 1666622 QGRUOYKBWHYSJE-UHFFFAOYSA-N 236.271 1.732 30 50 BDEA CC1(C)OB([C@@H]2CCNC(=O)C2)OC1(C)C 170008805 WBSJJIXTNFHHGJ-MRVPVSSYSA-N 225.097 1.359 30 50 BDEA C=C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)O1 86014509 FNTSQPKTSPKZHB-SSDOTTSWSA-N 213.233 1.928 30 50 BDEA O[C@@H]1C=C[C@]23C[C@@H]4O[C@H]4C[C@]2(C1)C[C@H]1O[C@H]1C3 257359357 ZVJFGHAQBXCDEG-BKZLMLJWSA-N 234.295 1.402 30 50 BDEA C=CC[C@H]1CCN(C(=O)CCC(=O)O)C1 630230961 SLHURQWMUPTKRI-VIFPVBQESA-N 211.261 1.276 30 50 BDEA COc1cccc(C2(NC(=O)[C@H]3CO3)CC2)c1 1875372647 KEORXLAVRQRVMA-LLVKDONJSA-N 233.267 1.199 30 50 BDEA C=CC[C@H]1CCCC[C@@]12NC(=O)NC2=O 284125 KWWFSXZQXDGLHW-GZMMTYOYSA-N 208.261 1.331 30 50 BDEA Cc1ccc(C(=O)C[n+]2ccn(C)c2)cc1 4905801 RAHXUJLUDCBYKS-UHFFFAOYSA-N 215.276 1.504 30 50 BDEA C=CCn1nnc(NC(=O)c2cccs2)n1 10010773 UDEVMHYZBYAULZ-UHFFFAOYSA-N 235.272 1.173 30 50 BDEA CCCCN/C(C)=C1/C(=O)CSC1=O 103085532 YPEYBKVSMFCVFS-CLFYSBASSA-N 213.302 1.493 30 50 BDEA CCO/C=C(\C(=O)CC)C(=O)OCC 34450771 QXPMTJPDLMLQDR-BQYQJAHWSA-N 200.234 1.449 30 50 BDEA COCCc1ccc(OC[C@H]2CO2)cc1 5997888 UEOWFGJMGUIGHC-LBPRGKRZSA-N 208.257 1.653 30 50 BDEA biogenic,in-vitro C[C@@H]1COCCN(c2c(C#N)cccc2C#N)C1 373047564 RRWUNZRVPUEAKG-NSHDSACASA-N 241.294 1.903 30 50 BDEA C=CCC[C@H](C)N[C@H](C)C(=O)N1CCOCC1 130582881 AIBVYOIAJFLUIT-NWDGAFQWSA-N 240.347 1.178 30 50 BDEA CC1(C)OB(c2cccc3c2OCC3)OC1(C)C 169743681 HCAAUTYLSSDHFV-UHFFFAOYSA-N 246.115 1.921 30 50 BDEA in-vitro C#C[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 307442635 AGKAYQWMUSFFPK-CABZTGNLSA-N 207.273 1.877 30 50 BDEA in-vitro O=C(NO)c1cc(-c2cccs2)on1 143886332 JWBVEWGOOLGDHP-UHFFFAOYSA-N 210.214 1.522 30 50 BDEA C=CCn1c(C2CCCCC2)n[nH]c1=O 65501471 SATOVXSOPKFHSI-UHFFFAOYSA-N 207.277 1.805 30 50 BDEA CC1(C)OB(c2cncc(F)c2)OC1(C)C 169747633 VFMTUTYBMBTIGA-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro COc1ccc(-c2n[nH]nc2C#N)cc1 5210850 KHRXUZBXDSNCBO-UHFFFAOYSA-N 200.201 1.352 30 50 BDEA c1cc([C@H]2CCOC2)ccc1OC[C@@H]1CO1 1875379111 NKEXXRNTNMXBAW-WCQYABFASA-N 220.268 1.968 30 50 BDEA C#CCN1CCC[C@@H]1C(=O)Nc1ccccc1 1775988754 GKAQTAZELOPPGY-CYBMUJFWSA-N 228.295 1.723 30 50 BDEA C=CCNC(=O)c1ccc(Cn2ccnc2)cc1 38832469 FSAAPUMMCKWVIT-UHFFFAOYSA-N 241.294 1.847 30 50 BDEA C[C@@H](C#N)CN(C)C(=O)c1cc(F)c[nH]1 294451137 FWDMCXBBYOKFGV-ZETCQYMHSA-N 209.224 1.385 30 50 BDEA CC#CC(=O)N[C@@H](CC)c1nccs1 801158133 FFRHRRWDBHFBAK-QMMMGPOBSA-N 208.286 1.734 30 50 BDEA CC1(C)C(C(=O)ON2C(=O)CCC2=O)C1(C)C 296805 WMFZEBUYYHEXEM-UHFFFAOYSA-N 239.271 1.276 30 50 BDEA CNC(=O)/N=C1\SCCN1c1ccccc1 2546652 SYYZLBCVHXFRID-QBFSEMIESA-N 235.312 1.935 30 50 BDEA CC#CC(=O)N(C)[C@@H](C#N)c1cccc(O)c1 1875309064 PGYILPXIVSLILH-LBPRGKRZSA-N 228.251 1.439 30 50 BDEA CC(C)[C@@H](CO)C/N=C(/O)c1ccoc1 330666255 AMCYHJFYEMRPGW-SNVBAGLBSA-N 211.261 1.849 30 50 BDEA CC1(C)OB(c2cc(N)cnc2F)OC1(C)C 170006150 XHKSDGSXOKAVHD-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA Cc1ocnc1C/N=C(/O)N1CCC(F)(F)C1 329487289 RKDRHHASYHWSGV-UHFFFAOYSA-N 245.229 1.738 30 50 BDEA COc1cc(C#N)cc(OC[C@H]2CO2)c1 234972956 YNBJAALQOCKUGK-NSHDSACASA-N 205.213 1.344 30 50 BDEA CCOC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 426546100 HFZZLYVPXMZIKS-LLVKDONJSA-N 247.298 1.527 30 50 BDEA CC[C@@H](Oc1ccccc1)/C(O)=N/c1nn[nH]n1 8326525 FERNKODRBWPYEQ-SECBINFHSA-N 247.258 1.645 30 50 BDEA Cc1noc(=O)n1Cc1ccccc1C#N 1875391329 IUFFUYHYBGBIFJ-UHFFFAOYSA-N 215.212 1.065 30 50 BDEA CSc1nnc2n(/N=C/c3ccco3)cnn12 51145 HBTIOOKGIKRFEC-BJMVGYQFSA-N 248.271 1.123 30 50 BDEA CCOC(=O)[C@]12C[C@H]1C(=NO)c1ccccc1O2 306146349 FXCTZFMSAHZQTR-ZANVPECISA-N 247.250 1.579 30 50 BDEA in-vitro N#Cc1cnc(N2CCC[C@@H]2c2ncc[nH]2)cn1 368427193 RFELTGSBEBTJFR-SNVBAGLBSA-N 240.270 1.413 30 50 BDEA CC#CCN(C)C(=O)N[C@H]1CC[C@@H](F)C1 335575282 UMFISEVKZBKQTB-ZJUUUORDSA-N 212.268 1.542 30 50 BDEA N#Cc1cnc(S[C@H]2CCOC2)cn1 408353640 CPUHKVYTXJBHQW-QMMMGPOBSA-N 207.258 1.229 30 50 BDEA CN(C(=O)c1cnns1)C1(C#N)CCC1 408022844 ZNKOFHSFODBROZ-UHFFFAOYSA-N 222.273 1.056 30 50 BDEA N#CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 162681245 SRKUXNZMNFXIBC-WDEREUQCSA-N 206.289 1.843 30 50 BDEA NC(=O)C1=C2CCCc3cccc(c32)C1=O 396802 SFRLORUXHRMRMQ-UHFFFAOYSA-N 213.236 1.458 30 50 BDEA C[C@@H]1CCCC/C1=N\NS(C)(=O)=O 4989755 MYBKPXYOSITVRL-BDGYDECCSA-N 204.295 1.102 30 50 BDEA N#Cc1cccc(Cn2ccnc2C#N)c1F 223555458 AVIYSKRTOLCZHQ-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA CC(C)(C)OC(=O)N[C@H](C=O)CC1CC1 139918217 ZXCJNTBHTFXMTR-VIFPVBQESA-N 213.277 1.879 30 50 BDEA CCOC(=O)COc1cccc(C#N)c1 16682845 ISWSRQNCRDFATO-UHFFFAOYSA-N 205.213 1.500 30 50 BDEA CC#CC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 885478893 MJKAKEREHDXZTK-DGCLKSJQSA-N 221.300 1.331 30 50 BDEA CC1(C)CN(c2cnc(C#N)cn2)[C@@H]2COC[C@@H]21 333693137 MSTKJWXUWNWBFJ-WDEREUQCSA-N 244.298 1.209 30 50 BDEA C=CCn1c(=O)[nH]c2cc(N)c(OC)cc21 337719 KLINYODUCJYYQJ-UHFFFAOYSA-N 219.244 1.106 30 50 BDEA Nc1ccc[n+](CC(=O)c2ccccc2)c1 2923793 QZGRGWMVJFNRDB-UHFFFAOYSA-N 213.260 1.439 30 50 BDEA N#CCCn1cc(C(N)=O)c(-c2cccs2)n1 3410551 WIWOJOGGRKHHAR-UHFFFAOYSA-N 246.295 1.624 30 50 BDEA CCC(=O)O[C@]1(C#N)C[C@H](C)N(C)C[C@@H]1C 22205492 AOXVKLXGIXLVEW-NHCYSSNCSA-N 224.304 1.562 30 50 BDEA COC(=O)c1c(N)c(C)nc(Cl)c1C#N 62722026 DRZMJZRIOIDFGS-UHFFFAOYSA-N 225.635 1.284 30 50 BDEA CC[C@H](C#N)C(=O)N1CC[C@@H](C)[C@H](OC)C1 300026926 XRQPDWIOMNQWNZ-GMTAPVOTSA-N 224.304 1.420 30 50 BDEA CC(C)(O)[C@@H]1CCCN1c1cc(C#N)ccn1 330031852 DZIDINSMVQASRB-NSHDSACASA-N 231.299 1.693 30 50 BDEA C=CCc1c(O)c(OC)cc(O)c1C=O 333772 CJYSXPHNPCYSPX-UHFFFAOYSA-N 208.213 1.647 30 50 BDEA CC(C)(C)OC(=O)N1CCC(C=O)CC1 1436268 JYUQEWCJWDGCRX-UHFFFAOYSA-N 213.277 1.832 30 50 BDEA in-vitro CCOC(=O)c1cc(C#N)c(SC)nc1O 4637550 UCDROSIPSKGDQH-UHFFFAOYSA-N 238.268 1.557 30 50 BDEA C#CCN(C)C(=O)[C@H](OCC)c1ccccc1 191140011 LIMVPJGFQSYOKD-CYBMUJFWSA-N 231.295 1.856 30 50 BDEA C#CCN(C)CC(=O)Nc1ccc(F)cc1F 192223166 PKVRWTGJPDOUKA-UHFFFAOYSA-N 238.237 1.468 30 50 BDEA O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl 155167 IPPWILKGXFOXHO-UHFFFAOYSA-N 208.984 1.155 30 50 BDEA in-vitro Cc1occc1C(=O)O/N=C(\N)c1ccccn1 4303822 DBKMVPJOHNDKON-UHFFFAOYSA-N 245.238 1.460 30 50 BDEA C=C1N(N(C(C)=O)C(C)=O)C(=O)OC1(C)C 1427184 CCOOJBWRLKZCIA-UHFFFAOYSA-N 226.232 1.041 30 50 BDEA Cc1nc(N2CCC[C@H](CCN)C2)ccc1C#N 261581324 QOQXWOJUEJNPNJ-GFCCVEGCSA-N 244.342 1.827 30 50 BDEA C#CC[C@@H](C)NC(=O)NCCCSCC 241132916 JNDIMBFTANIIIA-SNVBAGLBSA-N 228.361 1.841 30 50 BDEA C#C[C@@H](NC(=O)C#CC)c1ccc(F)cc1 491638945 WJJRYHAYKLRCOD-GFCCVEGCSA-N 215.227 1.640 30 50 BDEA COC(=O)C[C@@H](CC=O)NC(=O)OC(C)(C)C 145545048 QZIIRPKRWDCOAY-MRVPVSSYSA-N 245.275 1.032 30 50 BDEA CC(C)n1nncc1B1OC(C)(C)C(C)(C)O1 725271170 IOOPFKJBVQTLFP-UHFFFAOYSA-N 237.112 1.158 30 50 BDEA CCCc1cc(NCC#N)n2ncnc2n1 225618862 IZKBYQWJQYCNEH-UHFFFAOYSA-N 216.248 1.012 30 50 BDEA Oc1cc(O)nc(N/N=C/c2ccc(F)cc2)n1 15778118 GGZDJSFGJSNWGC-AWNIVKPZSA-N 248.217 1.473 30 50 BDEA N/C(=N\O)c1cccc(NC(=O)C2CC2)c1 4207394 FKBGFJXTRPWHNK-UHFFFAOYSA-N 219.244 1.130 30 50 BDEA in-vitro N#Cc1ccc(CSCC(=O)O)cc1 5010151 YAPZRBCKDSHRQX-UHFFFAOYSA-N 207.254 1.876 30 50 BDEA in-vitro Cn1cnc2cc(OC[C@@H]3CO3)ccc21 1857779593 MDWUTDLZOGUFPB-SECBINFHSA-N 204.229 1.351 30 50 BDEA CC#CC(=O)N(C)C[C@@H]1CCc2nc(C)cn2C1 1875363287 VHKJRZXMLDLNMZ-LBPRGKRZSA-N 245.326 1.236 30 50 BDEA C[C@]1(C(=O)N[C@@H]2CCCc3ccccc32)CO1 1875325584 PVKJQZAAFDPVND-TZMCWYRMSA-N 231.295 1.969 30 50 BDEA C#CC1(O)CCN(Cc2ccccc2)CC1 4343168 GUGAZNNGWOJESU-UHFFFAOYSA-N 215.296 1.647 30 50 BDEA C/C(O)=N/c1nc(-c2cccnc2)n[nH]1 4785050 NSXVBNKKXBLWPX-UHFFFAOYSA-N 203.205 1.475 30 50 BDEA C#CC[C@@H](C)N1C(=O)[C@H]2CCCCN2C1=O 225558630 BMHNKBSKAYZMFZ-NXEZZACHSA-N 220.272 1.215 30 50 BDEA C#CCN(C)C(=O)c1ccc(C(C)=O)cc1 225636456 TUUXPWKGOHVMIF-UHFFFAOYSA-N 215.252 1.594 30 50 BDEA N#Cc1cc(NCC2CCSCC2)ncn1 309384969 DMTQGECCNZGZOV-UHFFFAOYSA-N 234.328 1.903 30 50 BDEA C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101743862 VYQODKJEXGSTJT-ZNSHCXBVSA-N 229.279 1.370 30 50 BDEA CN(C)CCOc1ccc(F)cc1C#N 110877988 DUDJMIGCQKXLPV-UHFFFAOYSA-N 208.236 1.638 30 50 BDEA CCOC(=O)c1ccc(C#N)c(Cl)n1 218452979 KNDJEEFHGLNAHI-UHFFFAOYSA-N 210.620 1.783 30 50 BDEA CC#CCCNC(=O)N1CCC=C(F)C1 335753135 AOYLICHCNZSMLG-UHFFFAOYSA-N 210.252 1.669 30 50 BDEA CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)C#N)CCO1 181201783 QRYNFAGLRGTKBP-DCAQKATOSA-N 224.304 1.610 30 50 BDEA C#C[C@@H](C)NS(=O)(=O)CC1CCCCC1 167045599 ATOJPMGZRFZULD-SNVBAGLBSA-N 229.345 1.508 30 50 BDEA C=CCN[C@@H]1CCCC[C@@H]1[S@@](=O)CC 221907730 XXFRUDOBXDWEJT-SUNKGSAMSA-N 215.362 1.842 30 50 BDEA N#Cc1nc(C(F)(F)F)oc1N1CCOCC1 1775965168 WFYBNJWXOWQVIR-UHFFFAOYSA-N 247.176 1.402 30 50 BDEA N#Cc1ccccc1CSc1n[nH]c(N)n1 18194202 CYTVBFHOFLRUKS-UHFFFAOYSA-N 231.284 1.551 30 50 BDEA N#Cc1cnn(-c2cccc(Cl)c2)c1N 150146 VRKRSWGTAMOYEV-UHFFFAOYSA-N 218.647 1.980 30 50 BDEA in-vitro CC(=O)/C(C)=N/OCc1cccc(N(C)C)n1 1775985445 FLSVFBVLDVJNFM-NTEUORMPSA-N 235.287 1.629 30 50 BDEA OC[C@H](/N=C(/O)[C@H]1CCC(O)=N1)C1CCCC1 330325066 UJVDSSKUZCPXJJ-ZJUUUORDSA-N 240.303 1.613 30 50 BDEA COC(C)(OC)c1ccc(C#N)c(S)n1 124198 VYPUNPMKCZCECI-UHFFFAOYSA-N 224.285 1.707 30 50 BDEA C=CCNC(=S)NC(=O)C1CCCCC1 2917931 VHDUOZREVRYYDA-UHFFFAOYSA-N 226.345 1.743 30 50 BDEA CCOC(=O)C1=C(O)c2ccccc2C1=O 100477408 LYWLBOMXHHNZHD-UHFFFAOYSA-N 218.208 1.715 30 50 BDEA O=C1c2ccccc2C(=O)N1[C@@H]1CC/C(=N/O)C1 306303536 AXDDETXWXIGFAP-ZJTXEKFPSA-N 244.250 1.665 30 50 BDEA CNC(=NCCOc1ccc(F)c(F)c1)NC 242242363 XUEBTQYHJHKLIN-UHFFFAOYSA-N 243.257 1.138 30 50 BDEA N#Cc1cc(Br)cc(CO)c1 91297108 NDZGRXPTEKVBMA-UHFFFAOYSA-N 212.046 1.813 30 50 BDEA C#CCN(C)C[C@H](O)Cc1ccccc1 192223944 IIIDJOUUQXRXNN-CYBMUJFWSA-N 203.285 1.155 30 50 BDEA Cc1cnc(CNc2ccc(C#N)nc2)o1 192732709 UJEMVDPLYRBCLS-UHFFFAOYSA-N 214.228 1.862 30 50 BDEA COc1cc(OCc2ncnn2C)ccc1C#N 194509319 ZFINFPSDUIMVLA-UHFFFAOYSA-N 244.254 1.274 30 50 BDEA CN1CCCN(C)C1=NCc1ccccc1 1775993765 KAKNXLZVPHXRMW-UHFFFAOYSA-N 217.316 1.810 30 50 BDEA CC(=O)N/C(C)=C1\C(=O)C[C@@H]2[C@@H]1C2(C)C 100069449 HBRUIULKBDKADW-CYXLKIKXSA-N 207.273 1.642 30 50 BDEA biogenic C=CCOC1CN(C(=O)OC(C)(C)C)C1 66309166 PZYUTLNRBHWRIR-UHFFFAOYSA-N 213.277 1.808 30 50 BDEA Cc1nc(N2CC[C@H]3CNC[C@H]3C2)ccc1C#N 261561920 GFMJPFCJBXLWCL-STQMWFEESA-N 242.326 1.307 30 50 BDEA CC(C)Cn1ccnc1CNC(=O)C(C)(C)C#N 130822594 WOSHSBGPIIYALM-UHFFFAOYSA-N 248.330 1.705 30 50 BDEA C=C(C)C(=O)NCCCNC(=O)OC(C)(C)C 72266055 QLWQBUVPOLBDCD-UHFFFAOYSA-N 242.319 1.594 30 50 BDEA N#Cc1ccc2[nH]c(C(=O)O)cc(=O)c2c1 96029257 WWPIHIYRDBLORM-UHFFFAOYSA-N 214.180 1.098 30 50 BDEA CC#CCNC(=O)Nc1nnc(CCC)s1 170604221 NIMKXTMQTBHTQI-UHFFFAOYSA-N 238.316 1.635 30 50 BDEA C[C@H](C#N)NC(=O)c1ccc2nc(S)oc2c1 170647513 RESYFQBOPVGYFU-ZCFIWIBFSA-N 247.279 1.758 30 50 BDEA C=CCN(CCOC)C(=O)c1ccco1 189419659 SGGMOUDXHJSLLF-UHFFFAOYSA-N 209.245 1.554 30 50 BDEA C#CCN(C)CC(=O)N[C@H]1CCCC[C@H]1C 192232231 XRDKHCJIOMNLFH-NEPJUHHUSA-N 222.332 1.246 30 50 BDEA C[C@@]1(F)CCN(C(=O)c2cc(C#N)c[nH]2)C1 335287941 IFNYKPSQLSYJII-LLVKDONJSA-N 221.235 1.460 30 50 BDEA N#Cc1cc(F)ccc1NC(=O)c1cncnc1 230879297 AVYHATRXIDTICG-UHFFFAOYSA-N 242.213 1.740 30 50 BDEA C#C[C@](C)(CC)OC[C@@H](O)CN1CCCCC1 12421387 OJTTYYYGLUPSRM-UONOGXRCSA-N 239.359 1.652 30 50 BDEA C[C@H](c1ccccc1)[C@@H](C#N)SCC(N)=O 1875393911 QOESPTJHYYXWQQ-MWLCHTKSSA-N 234.324 1.901 30 50 BDEA Cc1cc(C#N)cc(N2CCC(C)(CO)CC2)n1 401941839 PDPITLGFUYQEGF-UHFFFAOYSA-N 245.326 1.861 30 50 BDEA COc1ccc(N/C(S)=N/CCO)cc1 2816727 KGDNJJRUJMQSLZ-UHFFFAOYSA-N 226.301 1.385 30 50 BDEA C=CCN1CCN(C(=O)C2CCC2)CC1 20160873 LXUOICSEGKEGEO-UHFFFAOYSA-N 208.305 1.117 30 50 BDEA Cc1ccc(F)cc1-n1ncc(C#N)c1N 114685793 OGTRPFVQRHYOOT-UHFFFAOYSA-N 216.219 1.774 30 50 BDEA O=C1C=CC(=O)c2[nH]c(C(F)(F)F)nc21 4023725 CKPHSLLNPQFTBR-UHFFFAOYSA-N 216.118 1.364 30 50 BDEA N#CCc1c(C(F)(F)F)ccnc1O 238709898 JHAKFUKVGHHRRZ-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA CC#CC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 293782171 RSHHMHFGJHIOKH-QMMMGPOBSA-N 249.232 1.578 30 50 BDEA C#CCN(C)C(=O)COc1ccccc1F 191128636 PZCGILBITHRMJJ-UHFFFAOYSA-N 221.231 1.296 30 50 BDEA Cc1cc(/C=N/n2cnnc2)c(O)c([N+](=O)[O-])c1 295618 SMUYMBZSRSAOJA-YIXHJXPBSA-N 247.214 1.083 30 50 BDEA CC#CC(=O)NC[C@](C)(CO)c1ccccc1 1875365050 HGCMZPZSCWQBCR-CQSZACIVSA-N 231.295 1.076 30 50 BDEA O=C(O)/C=C/C(=O)[C@@H]1CNc2ccccc2O1 1772718245 QIOUBBYPJLWZDV-QRGHLMKCSA-N 233.223 1.069 30 50 BDEA NC(=O)[C@@]12O[C@]1(Cl)CCCC2(Cl)Cl 5134594 RJDOGZFPFXYFDM-RQJHMYQMSA-N 244.505 1.534 30 50 BDEA COc1cc(OC)cc(C(=O)CC#N)c1 2531004 LKMXJVUYRSDTPZ-UHFFFAOYSA-N 205.213 1.800 30 50 BDEA in-vitro O=C([C@H]1CO1)N(Cc1ccccc1)CC1CC1 1875372370 DUSXMFJWUSJVLG-CYBMUJFWSA-N 231.295 1.824 30 50 BDEA N#C[C@H](NC(=O)CCCC1CC1)[C@H]1CCOC1 1875365270 GJRNZLOVOQZION-RYUDHWBXSA-N 236.315 1.612 30 50 BDEA N#Cc1ccnc(NCC2(CO)CCOCC2)c1 286202904 MICSQRCFOASQPV-UHFFFAOYSA-N 247.298 1.154 30 50 BDEA O=C1CCCC(=O)C1=CNCc1cccnc1 100724085 BYSHOTQLMDRAEC-UHFFFAOYSA-N 230.267 1.377 30 50 BDEA CC(=O)Nc1ccc(O)c(C(=O)/C=C/N(C)C)c1 26461434 AGGMFSFGXUUSRA-VOTSOKGWSA-N 248.282 1.609 30 50 BDEA C#C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C1CC1 152591135 FJIDBXNXVSGQIN-LLVKDONJSA-N 214.224 1.455 30 50 BDEA C#CC(C)(C)OC[C@@H](O)CN1CCCC[C@H]1C 35052907 PPWHBFZZVWTMPM-OLZOCXBDSA-N 239.359 1.650 30 50 BDEA C[C@H](C#N)C(=O)N1CCC(F)(F)[C@H](C)C1 336019724 WNHXRVNOZIEPCK-HTQZYQBOSA-N 216.231 1.650 30 50 BDEA CC(C)OC1CN(c2ncccc2C#N)C1 585136855 VYCJVJSDTTZFJO-UHFFFAOYSA-N 217.272 1.567 30 50 BDEA Cc1cc(C#N)nc(N[C@@H](CO)C(C)(C)C)n1 241435120 NKUGVXRXWGCGEN-JTQLQIEISA-N 234.303 1.476 30 50 BDEA CCn1nc(C)cc1B1OC(C)(C)C(C)(C)O1 203600057 OEIOIWLEZPKVFD-UHFFFAOYSA-N 236.124 1.511 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(O)c1 189749 WKUHDHCCESEGAD-LBPRGKRZSA-N 246.266 1.609 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@H](C=O)C12CC2 1775954871 RBSXPYZULLWVFN-SECBINFHSA-N 225.288 1.975 30 50 BDEA N#Cc1ccc(Cn2ccncc2=O)cc1F 334169742 AFXIHEIAMQKLII-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA CC[C@H](CC#N)NC(=O)[C@H]1CCCc2[nH]ncc21 183812626 FHDCOQZZXJMGMU-ZJUUUORDSA-N 246.314 1.638 30 50 BDEA CC[C@@](O)(CCCO)CNc1cc(C#N)ccn1 828747882 LDUSBZLXDMXJNF-CYBMUJFWSA-N 249.314 1.279 30 50 BDEA C=CCNC(=O)CN(CC)c1cccc(O)c1 170608662 UFNKGMJLEZOMOU-UHFFFAOYSA-N 234.299 1.521 30 50 BDEA CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 169743796 UGCRHVPUHAXAAE-UHFFFAOYSA-N 222.097 1.202 30 50 BDEA in-vitro CC(=O)c1[nH]c(C)c(C(=O)N2CC(C#N)C2)c1C 1857687989 OJRXLSRRMXRIQS-UHFFFAOYSA-N 245.282 1.430 30 50 BDEA N#Cc1nccnc1N1CC[C@@H](c2ccco2)C1 360143574 YITRHOHNQHMDLU-SNVBAGLBSA-N 240.266 1.935 30 50 BDEA CN(C(=O)N1CCCCC1)c1ncccc1C#N 2325797968 CMMRKFWXIBVSTO-UHFFFAOYSA-N 244.298 1.995 30 50 BDEA C=CCn1nnc(NC(=O)c2cccc(F)c2)n1 10010701 WNQUZPLADABWTD-UHFFFAOYSA-N 247.233 1.251 30 50 BDEA N#CCC(=O)N1CC=C(C(F)(F)F)CC1 158896292 SMSJWCFMCKQLLV-UHFFFAOYSA-N 218.178 1.621 30 50 BDEA O=CC1CCN(c2ccnc3nsnc23)CC1 45796085 WQEOCVXZFQGPSX-UHFFFAOYSA-N 248.311 1.502 30 50 BDEA CN1CC[C@H]2CCN(c3cc(C#N)ccn3)[C@H]2C1 284892028 HCNXPJZQDPHACW-STQMWFEESA-N 242.326 1.484 30 50 BDEA C=C1CN=C(NCc2ccccc2)NC1 1775998587 ZKSQPHCMSOUYBG-UHFFFAOYSA-N 201.273 1.292 30 50 BDEA C=CCNC(=O)Nc1ccc2nccnc2c1 2829550 QWGQCDKWVANITN-UHFFFAOYSA-N 228.255 1.937 30 50 BDEA CC#CC(=O)NCc1nc2ccccc2o1 1141591840 QFNKVWQTXFAMTM-UHFFFAOYSA-N 214.224 1.467 30 50 BDEA Cc1nc2ccnn2c(C)c1CCC#N 2798878 UBBRATPVNCYGKH-UHFFFAOYSA-N 200.245 1.802 30 50 BDEA C#CCOc1ccccc1/C=C/C(=O)O 2585621 DGBJZHZBHGQIEW-BQYQJAHWSA-N 202.209 1.796 30 50 BDEA CCN(C)c1ccnc(N2CCC(C#N)CC2)n1 1529173002 KQEYBYVANZWXMB-UHFFFAOYSA-N 245.330 1.673 30 50 BDEA C=CCCCCNC(=O)N1CC[C@H](C)[C@H]1CO 252487021 HQNCLEUKNIATCN-NWDGAFQWSA-N 240.347 1.755 30 50 BDEA CC(C)(O)[C@H]1CCCN1c1cc(C#N)ccn1 330031851 DZIDINSMVQASRB-LLVKDONJSA-N 231.299 1.693 30 50 BDEA C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C#CC1CC1 924029184 WPGDUTDAGKPFMD-FOUMNBMASA-N 217.312 1.808 30 50 BDEA N#Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 3877942 QXNHTFMTMLNJPO-UHFFFAOYSA-N 233.227 1.303 30 50 BDEA CC/N=C(/S)N1C[C@@H](C)O[C@H](C)C1 8829834 AKNOKLYPXHYXNV-HTQZYQBOSA-N 202.323 1.401 30 50 BDEA Cc1noc([C@H](C)/N=C(/O)c2cn[nH]c2)n1 330406776 YWFDZZRYOAURBN-YFKPBYRVSA-N 221.220 1.167 30 50 BDEA O=C(/C=C\c1ccccn1)c1cccc[n+]1[O-] 33758832 LLWNFIMCDIXLQQ-FPLPWBNLSA-N 226.235 1.611 30 50 BDEA Cn1c(/C=N/n2cnnc2)nc2ccccc21 439620 IOFQNWOEQOCMTP-MKMNVTDBSA-N 226.243 1.047 30 50 BDEA CO[C@](C)(CNC(=O)[C@H]1CO1)c1ccccc1 1875372221 AGDGTHQHMZVTQR-DGCLKSJQSA-N 235.283 1.063 30 50 BDEA CC#CC(=O)NCCN1CC=C(C(C)(C)C)CC1 1875363777 AXENMQYCPXZTFZ-UHFFFAOYSA-N 248.370 1.804 30 50 BDEA C/C(Nc1ccccc1)=C1\C(=O)O[C@@H](C)C1=O 100319880 GFGCEKCOCLVJOZ-OHMLCJAVSA-N 231.251 1.887 30 50 BDEA COc1ccc([C@]2(C)O[C@H]2C#N)c(OC)c1 309510683 TURGEJKDKJHGRW-RYUDHWBXSA-N 219.240 1.841 30 50 BDEA O=C1C=CC23C[C@@H]4O[C@@H]4CC2(C1)C[C@H]1O[C@H]1C3 257359096 YLAHPFRJAQDBQQ-HRASCPFESA-N 232.279 1.611 30 50 BDEA COC(=O)c1cc(=O)c2cc(C#N)ccc2[nH]1 96029256 HWPAIPTYSWLOCZ-UHFFFAOYSA-N 228.207 1.186 30 50 BDEA in-vitro CC1(C)OB(c2sccc2C=O)OC1(C)C 169745252 VKSNHTCPMPMGNN-UHFFFAOYSA-N 238.117 1.860 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CC(F)(C#N)C1 253496202 VLCFNAIYELAULW-UHFFFAOYSA-N 200.213 1.469 30 50 BDEA in-vitro Cc1nsc(N[C@H]2CC[S@](=O)C2)c1C#N 328667839 LCOVXLBBWIKTSV-ZIDLFYJRSA-N 241.341 1.256 30 50 BDEA Cc1cc(C(=O)OCC#CC2CC2)n[nH]1 2325780785 OUONKYNLNWVJRQ-UHFFFAOYSA-N 204.229 1.288 30 50 BDEA C=CCNC(=S)NC(=O)c1ccc(C)cc1 2902453 FYGVEXLVGIVQSS-UHFFFAOYSA-N 234.324 1.785 30 50 BDEA N#CCCNC(=O)c1ccc(Cl)cc1 32151155 CXBXWIVEMGBDTH-UHFFFAOYSA-N 208.648 1.983 30 50 BDEA C#CCN(CC#N)C(=O)Cc1ccsc1 225564071 BVUSRKGSMMNWEC-UHFFFAOYSA-N 218.281 1.276 30 50 BDEA C=CC[C@H](C)NC(=O)Nc1cnns1 170612381 KLEQCHLKYQFBOC-LURJTMIESA-N 212.278 1.624 30 50 BDEA C=CCNc1nnc([C@H](N)Cc2ccccc2)o1 1772701159 CLLKUVQSNYGVDK-LLVKDONJSA-N 244.298 1.910 30 50 BDEA N#Cc1ccccc1NC(=O)CN1CCCCC1 2880932 FIVOWCMAMVREHC-UHFFFAOYSA-N 243.310 1.983 30 50 BDEA C#CCCC1(CCC(=O)N2C[C@@H]3C[C@H]2CO3)N=N1 952881997 LCTSUPXHFMIFTQ-QWRGUYRKSA-N 247.298 1.342 30 50 BDEA O=C(NCC1(Cc2ccccc2)CCC1)[C@H]1CO1 1875372865 OBOJUZKDJBVJDC-CYBMUJFWSA-N 245.322 1.914 30 50 BDEA Cc1ccc(N2CCN(C(=O)[C@H]3CO3)CC2)cc1 1875372433 GCKPDSQZLOIDOI-CYBMUJFWSA-N 246.310 1.042 30 50 BDEA C[C@](C#N)(c1ccccc1)N1CCOCC1 57497699 ZNSYKTBYWPYKBX-ZDUSSCGKSA-N 216.284 1.758 30 50 BDEA C#C[C@](C)(CC)NC(=O)c1ccccc1C(=O)O 1432609 VZGYZZMXHDWMKP-CQSZACIVSA-N 245.278 1.917 30 50 BDEA CC1=C[C@@]2(C)C[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12 828238030 WYEUOKRQYOEJHM-KMLBCRHOSA-N 202.253 1.913 30 50 BDEA CCOC(=O)/C=C/B1OC(C)(C)C(C)(C)O1 169747155 ZXDDITJXZPTHFE-BQYQJAHWSA-N 226.081 1.737 30 50 BDEA in-vitro COCCCOC(=O)c1cc(C#N)[nH]c1C 835094187 NMQYNNKNIUWJTM-UHFFFAOYSA-N 222.244 1.388 30 50 BDEA O=C(NCc1cc(-c2ccccc2)no1)[C@@H]1CO1 1875372713 LENRAISUVBTLNN-LBPRGKRZSA-N 244.250 1.357 30 50 BDEA CCC#CCN1CCC[C@@H](CCCO)C1 828748573 MAYKRTNQGCFLFP-ZDUSSCGKSA-N 209.333 1.884 30 50 BDEA C[C@@]1(C(=O)N2CCc3cc(O)ccc3C2)CO1 2325899522 IXLDNZKMJFLNBP-ZDUSSCGKSA-N 233.267 1.066 30 50 BDEA Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1 20231 IEJXVRYNEISIKR-UHFFFAOYSA-N 245.113 1.756 30 50 BDEA fda CC(C)=NNS(=O)(=O)c1ccc(C)cc1 40161 XJXJLURHJAVZJI-UHFFFAOYSA-N 226.301 1.669 30 50 BDEA biogenic C[C@H]1CN(C(=O)[C@H](C)C#N)CCC1(F)F 336019726 WNHXRVNOZIEPCK-SFYZADRCSA-N 216.231 1.650 30 50 BDEA C=CC[C@@H](C)NC(=O)Nc1cnns1 170612383 KLEQCHLKYQFBOC-ZCFIWIBFSA-N 212.278 1.624 30 50 BDEA C#CCC(C)(C)COC(=O)Cc1ccnn1C 170615549 PSVIOURMFJZKPE-UHFFFAOYSA-N 234.299 1.555 30 50 BDEA CC#CCCNC1(c2noc(C)n2)CCC1 120396448 ZZORLFRCHVCPOI-UHFFFAOYSA-N 219.288 1.760 30 50 BDEA N#CCN1C(=O)C2(OCCCO2)c2ccccc21 12899007 HMEXUVVGIGEURJ-UHFFFAOYSA-N 244.250 1.146 30 50 BDEA O=Cc1ccc(C#Cc2cncnc2)cc1 40828510 CRJWJEBGNGSAHW-UHFFFAOYSA-N 208.220 1.689 30 50 BDEA in-vitro C#CCN(CC#N)C(=O)c1ccc2ncccc2c1 225564027 RJCNUWCJMFXBDE-UHFFFAOYSA-N 249.273 1.834 30 50 BDEA O/N=C1\ON=C(c2ccccc2)\C1=N/O 100662232 GTSUJBNNRZEMIG-GOOGBFEESA-N 205.173 1.039 30 50 BDEA CC1=CC(C)(C)N2C(=O)/C(=N/N)c3cccc1c32 100097191 CBNKUBXXQIEEHT-LFIBNONCSA-N 241.294 1.892 30 50 BDEA CC1(C)CC(=O)C2=C(C1)O[C@H]1OC(=O)C[C@]21C 4108626 QPOSCSLQBMCJNX-WCQYABFASA-N 236.267 1.939 30 50 BDEA N#Cc1ccc(N[C@H]2CCC[C@H]2O)cn1 195575428 DITIACMFQFXZLJ-WDEREUQCSA-N 203.245 1.279 30 50 BDEA C=CCn1c(=S)n(C)c(=O)c2nccnc21 337861 JEYAOQXLYPKDMA-UHFFFAOYSA-N 234.284 1.045 30 50 BDEA Cn1nnc(C/N=C(/O)[C@H]2CC23CCCC3)n1 330175707 JIVWQZUITQEYMT-MRVPVSSYSA-N 235.291 1.247 30 50 BDEA C=CC[C@@]1(CO)CCCN(C(=O)c2ccc[nH]2)C1 91452547 PHVRADUNLYENOZ-CQSZACIVSA-N 248.326 1.806 30 50 BDEA C=CCNC(=O)c1cc(-c2ccco2)on1 3908398 OSERHTYSAYXLLF-UHFFFAOYSA-N 218.212 1.850 30 50 BDEA C=CCC[C@@H](C)NC[C@]1(O)CCSC1 134927029 UMKPMUDXHLRZBP-GHMZBOCLSA-N 215.362 1.799 30 50 BDEA CC(=O)C1=C(O)N2c3ccccc3N[C@@H]2N=C1 100097225 XTVOAPXXHFQWOH-LBPRGKRZSA-N 229.239 1.645 30 50 BDEA C=C/C(O)=N/[C@H]1CCCn2nc(C)nc21 328599763 TYMGGICJPFLRAH-QMMMGPOBSA-N 206.249 1.564 30 50 BDEA CC#CC(=O)NC1(Cc2ccccc2)CC1 283935240 YWMKOQGMWJVDBM-UHFFFAOYSA-N 213.280 1.901 30 50 BDEA COC(=O)c1cccc(OC)c1CC#N 82049810 DAWBZAJVUJBYMZ-UHFFFAOYSA-N 205.213 1.548 30 50 BDEA CC(C)N(CC(N)=O)Cc1ccc(C#N)s1 161699805 BFGJEQGEEJNPMH-UHFFFAOYSA-N 237.328 1.315 30 50 BDEA CC[C@H](O)Cn1ncnc1-c1ccc(C#N)cc1 91616588 RTLDJTNVDCFSGF-LBPRGKRZSA-N 242.282 1.588 30 50 BDEA Cc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 169794296 LOOBNTHIWCHTCR-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro CNC(=NC[C@@H](C)c1ccc(F)cc1F)NC 170642346 FDGALZXQORTWKG-MRVPVSSYSA-N 241.285 1.863 30 50 BDEA C#CCN(C)S(=O)(=O)c1ccccc1CC 192946561 JSJXNQHZSLDDKV-UHFFFAOYSA-N 237.324 1.503 30 50 BDEA C=C[C@H](C)NC(=O)N[C@H](CO)Cc1ccccc1 153835648 HRLAEKNYNMLSSS-AAEUAGOBSA-N 248.326 1.464 30 50 BDEA CC#CC(=O)N[C@@H]1CCc2ccccc2NC1=O 848269891 UBYZCEDFNGHKIA-GFCCVEGCSA-N 242.278 1.079 30 50 BDEA CC#CC(=O)N[C@H]1[C@H](C#N)CCC12CCOCC2 1875367691 FHEJHWFQYXYEQN-AAEUAGOBSA-N 246.310 1.225 30 50 BDEA C=CCOc1nc(NCC)nc(NCC)n1 2011027 IWYRETLKNNKQRK-UHFFFAOYSA-N 223.280 1.300 30 50 BDEA N#C[C@]1(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CCSC1 136640650 ASYIJGSVHNTXBK-MRBYEJRBSA-N 248.351 1.714 30 50 BDEA N#CC1(NC(=O)Cc2ccc3c(c2)CCC3)CC1 172106327 YHSMWFMUFOERAY-UHFFFAOYSA-N 240.306 1.890 30 50 BDEA CCOC(=O)c1ncc(Cl)cc1C#N 71788933 DINJFKOBTCQUIC-UHFFFAOYSA-N 210.620 1.783 30 50 BDEA CC#CC(=O)NCCC(=O)OC1CCCCC1 282587706 WQTCXLRGNMGPDY-UHFFFAOYSA-N 237.299 1.392 30 50 BDEA C#CN(C)S(=O)(=O)c1ccc(C)cc1 199327104 VRNLIJIYOKNEOP-UHFFFAOYSA-N 209.270 1.206 30 50 BDEA CC#CCN(C)C(=O)Nc1cncc(F)c1 296843795 UCPAFQKNPQKJAO-UHFFFAOYSA-N 221.235 1.708 30 50 BDEA C#CCNC(=O)/C=C/c1ccc2c(c1)OCO2 2077425 XKDARMWSBOVCRS-GQCTYLIASA-N 229.235 1.178 30 50 BDEA Cc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1 6295337 BINBCNYZPVEZEC-RIYZIHGNSA-N 242.282 1.833 30 50 BDEA Cn1cnc2ccc(OC[C@@H]3CO3)cc21 1857779862 SLSCQZGPCNHDSM-SECBINFHSA-N 204.229 1.351 30 50 BDEA CC(=O)NC1=C(C(C)=O)[C@H]2[C@@H](C1)C2(C)C 2132383 TUMHSTQCTFKTOS-LDYMZIIASA-N 207.273 1.642 30 50 BDEA biogenic C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C=O 113152727 UDAVIPHGUXCSOK-RKDXNWHRSA-N 213.277 1.831 30 50 BDEA CN(CCn1cc(C#N)cn1)c1ccccc1 337932976 MRYMHESFRMOHFU-UHFFFAOYSA-N 226.283 1.891 30 50 BDEA COC[C@H]1CCN1c1cccc(F)c1C#N 292957147 GHLLDUYUDMDBSI-SECBINFHSA-N 220.247 1.922 30 50 BDEA CN(C)CC#CC[C@H](O)C(Cl)(Cl)Cl 96027528 XJFULSVVEBEZQN-ZETCQYMHSA-N 244.549 1.673 30 50 BDEA CN1C[C@@H]2CCc3ccccc3[C@]2(O)[C@@H](C#N)C1 242574948 NLKVUWURUUEGKV-KCQAQPDRSA-N 242.322 1.522 30 50 BDEA biogenic,in-vitro C[C@@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)O 700402279 GFAVNKLTLDALGH-YUMQZZPRSA-N 242.275 1.514 30 50 BDEA N#C[C@H]1CN(C(=O)OCc2ccccc2)CC1=O 66054975 TUUPQWMVTFXWOW-NSHDSACASA-N 244.250 1.348 30 50 BDEA in-vitro C=CCNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 100147213 HAMXQRSEDGZKRF-QEYWKRMJSA-N 223.272 1.036 30 50 BDEA in-vitro N#CCN(CCCN1CCCOCC1)C1CC1 1875338369 VOIQBHSDPQFRJW-UHFFFAOYSA-N 237.347 1.087 30 50 BDEA Cc1cccc(Nc2nc(N)nc(N)c2C#N)c1 8672890 HECYJLRUSFMGNA-UHFFFAOYSA-N 240.270 1.565 30 50 BDEA C/C(CC(=O)n1cnnc1)=N\Nc1ccccc1 4947671 CKMDCKNHXYJIID-XNTDXEJSSA-N 243.270 1.796 30 50 BDEA CC(=O)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 221672979 INYGWUFTISSLHX-BVDGUUGYSA-N 208.257 1.361 30 50 BDEA O/N=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 253393461 SVFZGSIUSSQSRE-XNFZBICBSA-N 204.229 1.035 30 50 BDEA C=C(CC)Cn1cnc2c(cnn2CC)c1=O 331347650 SHZZDEHYVPIIRA-UHFFFAOYSA-N 232.287 1.579 30 50 BDEA CC(=O)C1=C(O)C(=O)N[C@H]1c1ccc(F)cc1 444244 UMWWZQVBTIPVTI-JTQLQIEISA-N 235.214 1.398 30 50 BDEA Cc1cc([N+](=O)[O-])ccc1NN=C(C#N)C#N 4947570 TXEGJMKARLVHJF-UHFFFAOYSA-N 229.199 1.718 30 50 BDEA COc1ccc(OC[C@H]2CO2)cc1OC 59467701 NXZRPCSZNMYJTR-VIFPVBQESA-N 210.229 1.481 30 50 BDEA CO/N=C(\C)c1ccc(N2CCOCC2)cc1 140746461 QCTHKLFGOWJZLW-SDNWHVSQSA-N 234.299 1.894 30 50 BDEA N#Cc1ccc(CN[C@H]2CC[C@H](N)CC2)cc1 242688576 VTFCSWLEKMNQEL-HDJSIYSDSA-N 229.327 1.918 30 50 BDEA COC(=O)c1cc(C#N)cc([N+](=O)[O-])c1 15442550 ZMVKXPKHCOWFDJ-UHFFFAOYSA-N 206.157 1.253 30 50 BDEA in-vitro Cc1sc2ncn(CCC#N)c(=O)c2c1C 5319322 FYKPMNDYOIQYGO-UHFFFAOYSA-N 233.296 1.989 30 50 BDEA C=C(Br)CSCC(=O)NC 225642616 GDVVWKANUZXDAD-UHFFFAOYSA-N 224.123 1.374 30 50 BDEA C=CC[C@]1(CO)CCCN(CCCC(=O)O)C1 91574664 XJKPMNWZDAXMCH-ZDUSSCGKSA-N 241.331 1.502 30 50 BDEA COc1c(C#N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2168212 BKJAXBDANXXYKI-UHFFFAOYSA-N 223.144 1.383 30 50 BDEA C=CCOc1ccccc1CNc1ncn[nH]1 6192736 TVEHWKSQIVPDOQ-UHFFFAOYSA-N 230.271 1.982 30 50 BDEA CS[C@@H](C)C(=O)NC1(C#N)CCCC1 121860829 ZMDIWDDCFLSCQI-QMMMGPOBSA-N 212.318 1.690 30 50 BDEA CC(C)[C@@H](C=O)NC(=O)OC(C)(C)C 11974801 YMNBXYLOSIKZGL-MRVPVSSYSA-N 201.266 1.735 30 50 BDEA CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 138309371 PFSWASUQURIOOR-UHFFFAOYSA-N 239.319 1.836 30 50 BDEA in-vitro C=C1CN(C(=O)NC[C@@H]2CCO[C@@H](C)C2)C1 1478309843 NDQLYNQFAFGNKP-WDEREUQCSA-N 224.304 1.383 30 50 BDEA CN(C)C(=O)COc1ccc(C#N)cc1 19474626 ZZPXICLPMWMKIK-UHFFFAOYSA-N 204.229 1.025 30 50 BDEA in-vitro CCOC1=C(OCC)C(=O)c2occc2C1=O 407451 QUKHLSFSKVWICO-UHFFFAOYSA-N 236.223 1.943 30 50 BDEA C=CCC[C@@H](C)N[C@H](C)C(=O)N1CCOCC1 130583101 AIBVYOIAJFLUIT-VXGBXAGGSA-N 240.347 1.178 30 50 BDEA CC(C)(C)OC(=O)N[C@@]1(C#N)CCCNC1 238133184 YGSLFUAWXQWPQH-LLVKDONJSA-N 225.292 1.157 30 50 BDEA N#Cc1ccc(NC[C@@]2(CCO)CCOC2)nc1 131654519 HNYCLHMXHQNJHR-CYBMUJFWSA-N 247.298 1.154 30 50 BDEA N#Cc1ccc(Br)cc1CC(=O)O 238678339 UNMJILWVOSRMMY-UHFFFAOYSA-N 240.056 1.948 30 50 BDEA N#Cc1cnn2c(O)cc(-c3ccccc3)nc12 253625871 OZSBIGQJMBPSOO-UHFFFAOYSA-N 236.234 1.974 30 50 BDEA COC[C@@H]1CN(c2nc(C#N)ccc2C)CCO1 408513803 WRXLABUFCISYMQ-LBPRGKRZSA-N 247.298 1.113 30 50 BDEA Cc1c(C#N)c2ccccc2n1CC(=O)O 555461 JKRYSSLJLLGUDE-UHFFFAOYSA-N 214.224 1.906 30 50 BDEA in-vitro C=CCNc1csc(CC(=O)OCC)n1 18194475 PBNBOJMHEQUVRP-UHFFFAOYSA-N 226.301 1.847 30 50 BDEA CC1(C)OB(c2cnn3cccnc23)OC1(C)C 169810115 ZPGVBVUVOXWXDJ-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA COc1ccc(C[C@@H]2CCN2C(=O)[C@H]2CO2)cc1 1875372295 CCBZSLIUFOUCDA-WCQYABFASA-N 247.294 1.237 30 50 BDEA N#Cc1cncc(CC(=O)Nc2cccnc2)c1 1875327655 DQOFNGNCBXHENB-UHFFFAOYSA-N 238.250 1.529 30 50 BDEA CC1(C)C[C@@H](O)CCN(c2cccc(C#N)n2)C1 296054823 QSEVAIPCWCDAJR-LBPRGKRZSA-N 245.326 1.941 30 50 BDEA Cc1nc(N2CC(CF)C2)ccc1C#N 334578457 HCZAFILEPAEFKE-UHFFFAOYSA-N 205.236 1.667 30 50 BDEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccco1 281217602 DMZQQDWZUCBOME-JQWIXIFHSA-N 235.283 1.991 30 50 BDEA CC#CC(=O)Nc1ccc(O)cc1CC 283397065 BCYFGMAVLLECDV-UHFFFAOYSA-N 203.241 1.916 30 50 BDEA C#C[C@H](CO)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 408522745 CUZIIVAJMMJNRC-SNVBAGLBSA-N 248.238 1.203 30 50 BDEA CC[C@H](CN=C(NC)NC)c1ccccc1 170610645 FWPXQLZGENANJO-LLVKDONJSA-N 219.332 1.975 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)CCCC(=O)O)C1 534674674 YUCCWQOJZFSLOG-GFCCVEGCSA-N 238.287 1.394 30 50 BDEA CC(C)(C)OC(=O)N[C@H](CCS)C(=O)O 118082880 PQADCRYOPOVXDV-ZCFIWIBFSA-N 235.305 1.284 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@H](C(=O)CC#N)C1 95707471 PCLWTBWRXMOPOV-VIFPVBQESA-N 238.287 1.726 30 50 BDEA Cn1cc([C@H]2[C@H](C#N)CC(=O)N2C(C)(C)C)cn1 170619132 GMDWLJGACLJDNT-JOYOIKCWSA-N 246.314 1.632 30 50 BDEA C=C(C)CN1CCN(CC[C@@H]2CCOC2)CC1 1506424700 LCCPVRDIKSZNFR-CQSZACIVSA-N 238.375 1.607 30 50 BDEA CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169745934 GXUHWEZZHFBDFA-UHFFFAOYSA-N 249.119 1.780 30 50 BDEA NC(=O)[C@@H]1O[C@H]1c1ccc(CC2CCC2)cc1 1776005988 KVAWKTMGRIZDEU-QWHCGFSZSA-N 231.295 1.954 30 50 BDEA C=CCOC(=O)CN1C(=O)c2ccccc2C1=O 2898859 ZTCPHGMXIAGWGA-UHFFFAOYSA-N 245.234 1.012 30 50 BDEA COc1cc2c(cc1OC)[C@H](CC#N)NCC2 19418799 UVGYAOQHGGLHHV-NSHDSACASA-N 232.283 1.804 30 50 BDEA C[C@H]1CCCN([C@H](C)C/N=C(\N)NC2CC2)C1 253416442 BZBRWOUNGHKXGU-WDEREUQCSA-N 238.379 1.174 30 50 BDEA C=C/C(O)=N/CCc1nnc2n1CCCCC2 328594559 UJVXJDZOACDMJW-UHFFFAOYSA-N 234.303 1.690 30 50 BDEA C=CCNC(=O)[C@@H](C)Oc1ccccc1OC 8480753 WWLBPQHWNAEVQV-SNVBAGLBSA-N 235.283 1.765 30 50 BDEA C=CCOC(=O)[C@@H](C)NC(=O)c1ccccc1 4656269 NMSMGTPFNVKGPF-SNVBAGLBSA-N 233.267 1.534 30 50 BDEA Cc1ccc(O)c(/C(CCC(=O)O)=N/O)c1 5541882 HWVIVTWXKCSQBG-FMIVXFBMSA-N 223.228 1.744 30 50 BDEA COC(=O)[C@@H](C#N)[C@@H]1CCOC(C)(C)C1 670419813 BSWIPSIIGDOSRV-BDAKNGLRSA-N 211.261 1.504 30 50 BDEA CC(C)(C)OC(=O)Oc1cccnc1C#CCO 35270527 AFKPRRLPJAMUTN-UHFFFAOYSA-N 249.266 1.739 30 50 BDEA in-vitro Cc1nsc(N[C@@H]2CC[S@@](=O)C2)c1C#N 328667836 LCOVXLBBWIKTSV-KWKYVRJSSA-N 241.341 1.256 30 50 BDEA N#Cc1c[nH]ccc1=NC(=O)CC(F)(F)F 334475697 MLWCYNMEFIGCME-UHFFFAOYSA-N 229.161 1.266 30 50 BDEA C=CC[C@@H]1CCCC[C@@]12NC(=O)NC2=O 284126 KWWFSXZQXDGLHW-LDYMZIIASA-N 208.261 1.331 30 50 BDEA COc1ccc(/C=N/N=C(/N)SC)cc1 4760219 OQUDGLCSWWLRSD-KPKJPENVSA-N 223.301 1.707 30 50 BDEA CCOc1nc(N=C(N)N)nc2c(C)cccc12 8829687 FIIINVTXWYOJPG-UHFFFAOYSA-N 245.286 1.242 30 50 BDEA in-vitro COc1cc(N=CN(C)C)c(C#N)cc1[N+](=O)[O-] 301054801 KRQJJPTWQAWICH-UHFFFAOYSA-N 248.242 1.696 30 50 BDEA N#Cc1ccc(C(=O)NO[C@H]2CCCCO2)[nH]1 120972607 HWRUQYQKKMAZCY-JTQLQIEISA-N 235.243 1.074 30 50 BDEA C=CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1338395831 XUEJQIHMNFUORO-LBPRGKRZSA-N 212.252 1.328 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)n1C 169936105 KDIWNNXNKFMYHU-UHFFFAOYSA-N 235.136 1.941 30 50 BDEA in-vitro COc1cc2[nH]ccc(=O)c2cc1C#N 117443117 IMBAJWICJYRSBK-UHFFFAOYSA-N 200.197 1.408 30 50 BDEA C=CCNC[C@@H](O)COc1ccccc1OC 16648440 OOXOJCLWFFQCPT-LLVKDONJSA-N 237.299 1.211 30 50 BDEA O=C(N[C@H](CC(F)F)c1ccccc1)[C@H]1CO1 1875372439 GGBCVAJVXKATPC-NXEZZACHSA-N 241.237 1.898 30 50 BDEA Cc1noc(CCNc2oc(C)nc2C#N)n1 1857798934 GVOAHTNKQFYTGY-UHFFFAOYSA-N 233.231 1.201 30 50 BDEA CS(=O)(=O)OCC1(C(F)(F)F)CC1 114956551 TUFQPWHECWZNKA-UHFFFAOYSA-N 218.196 1.305 30 50 BDEA C#CCN(C)[C@@H](CC(N)=O)c1ccccc1 280335297 HYROYAHXRIVTIC-LBPRGKRZSA-N 216.284 1.168 30 50 BDEA C#CCN(C)C(=O)[C@H]1CCO[C@H](CC)C1 191126188 QMMAXIGYDCJSQV-WDEREUQCSA-N 209.289 1.283 30 50 BDEA C[C@H]1CCCC[C@@H]1OCC/N=C(\N)NC1CC1 195522505 NQBZFQFYXLOXLI-JQWIXIFHSA-N 239.363 1.648 30 50 BDEA N#Cc1c(F)cccc1NCC(F)(F)CN 164923671 LVILBIXABZCFRD-UHFFFAOYSA-N 229.205 1.703 30 50 BDEA N#Cc1cccc(N2CCC[C@@H](F)C2)n1 335206806 MKKQHLKXOGKVFB-SECBINFHSA-N 205.236 1.892 30 50 BDEA COC(=O)CC(=O)Nc1ccccc1C#N 20113710 QZCBDEJPHFPJEY-UHFFFAOYSA-N 218.212 1.060 30 50 BDEA Cc1nc(-c2ccccc2)oc1C(=O)NCC#N 172729451 VJXDNSNIEWNWMJ-UHFFFAOYSA-N 241.250 1.903 30 50 BDEA CCc1c(C)nc2c(C#N)cnn2c1C 711929274 RVCKEMMPYQZODU-UHFFFAOYSA-N 200.245 1.780 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@](F)(C#N)C1 95802953 BCSZDQPVZFNVPF-SNVBAGLBSA-N 214.240 1.859 30 50 BDEA in-vitro C#CCN(C)S(=O)(=O)c1c(C)cccc1F 192946514 YTRQFKFITWERNT-UHFFFAOYSA-N 241.287 1.388 30 50 BDEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1nc(N)n[nH]1 216739544 XZBIIMGTMLCERP-IUCAKERBSA-N 247.302 1.122 30 50 BDEA Cc1ccnc(N2CCO[C@H](C3CC3)C2)c1C#N 373599144 WQBNVDMAXIKRTI-ZDUSSCGKSA-N 243.310 1.877 30 50 BDEA N#CCN(CC#N)C(=O)c1cccs1 101684 UKNXXMRBUFQJHI-UHFFFAOYSA-N 205.242 1.237 30 50 BDEA C=CCNC(=S)NC(=O)c1ccco1 2998325 FDNUZLDUHDGEKV-UHFFFAOYSA-N 210.258 1.070 30 50 BDEA Oc1ccccc1/C=N\N=c1/cccc[nH]1 4974623 VZOPTEASQLBLJX-ZROIWOOFSA-N 213.240 1.655 30 50 BDEA CN(C)/C=C1/CN(Cc2ccccc2)CCC1=O 20215475 ALNLRGKJASPTJG-KAMYIIQDSA-N 244.338 1.907 30 50 BDEA C#CC(O)(C#C)C[C@@H]1CO[C@H]2[C@@H]1C(=O)CC2(C)C 71786750 JJHPIGIKYLPYQY-WXHSDQCUSA-N 246.306 1.004 30 50 BDEA C=CCNC(=O)N1CCC(F)(F)[C@@H](C)C1 290667989 OPDGCLQYGLSBFI-QMMMGPOBSA-N 218.247 1.859 30 50 BDEA COC(=O)c1ccc(C#CC(C)(C)O)cc1 169944 HPQVSXSPVIQMCE-UHFFFAOYSA-N 218.252 1.596 30 50 BDEA CC(C)(C)OC(=O)N1CCN(CCC#N)CC1 26423653 UWZSMTGOKZRFGS-UHFFFAOYSA-N 239.319 1.453 30 50 BDEA CO[C@@H]1C[C@@H](CO)N(Cc2ccccc2C#N)C1 284498420 HAIJERMLCORVDK-UONOGXRCSA-N 246.310 1.140 30 50 BDEA C=C[C@H](O)C(=O)N1CC[C@@](F)(c2ccccc2)C1 614530974 GDKDJDFMJGDIDT-JSGCOSHPSA-N 249.285 1.631 30 50 BDEA N#Cc1ccc(NC(=O)N[C@H]2CCNC2)c(F)c1 97527955 JLBFRXAVCKESNM-VIFPVBQESA-N 248.261 1.181 30 50 BDEA C=CCN[C@@H](C)c1cnc2ccnn2c1C 225475816 JJYOAFZMRGJXFH-VIFPVBQESA-N 216.288 1.874 30 50 BDEA Cc1cc(NC(=O)C#CC2CC2)cn2ccnc12 837671239 MMVANNOJLDCFBD-UHFFFAOYSA-N 239.278 1.995 30 50 BDEA CN/C(=N/C#N)SCC(=O)c1ccccc1 6760869 SZUGRSSJWUMQJD-UHFFFAOYSA-N 233.296 1.659 30 50 BDEA C#CCSc1nc(=O)ccn1C(C)C 252494075 NKIXYTTXKQIDHQ-UHFFFAOYSA-N 208.286 1.550 30 50 BDEA CC(=O)[C@H](C)Sc1ncc(C#N)cn1 1388217 KKWJIFXHUJQYPR-ZETCQYMHSA-N 207.258 1.418 30 50 BDEA C=C[C@@]12CCC(=O)N1[C@@H](C(C)(C)C)O[C@H]2O 215637197 DAGVYBNUTMALEB-FOGDFJRCSA-N 225.288 1.254 30 50 BDEA C[C@@H]1COCCN1CC/N=C(/O)c1ccoc1 330628669 ZIPQBBXIYGZDJF-SNVBAGLBSA-N 238.287 1.305 30 50 BDEA C[C@H](C#N)CN(C)C(=O)c1cc(F)c[nH]1 294451130 FWDMCXBBYOKFGV-SSDOTTSWSA-N 209.224 1.385 30 50 BDEA Cc1n[nH]cc1CN(C)Cc1cc(C#N)c(C)[nH]1 584892911 VMTHCCYEIBSKNU-UHFFFAOYSA-N 243.314 1.858 30 50 BDEA Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1 169743689 IZNGYNMIIVJWSO-UHFFFAOYSA-N 236.124 1.336 30 50 BDEA in-vitro C#C[C@H]1CCCN(C(=O)c2ccncc2F)C1 585091019 LQIZQLGHRARONK-JTQLQIEISA-N 232.258 1.706 30 50 BDEA OCCc1ccc(OC[C@H]2CO2)c(Cl)c1 1857780062 FFTAXMNKHMXFJY-SECBINFHSA-N 228.675 1.652 30 50 BDEA CC1(C)OB(c2ccc(C=O)c(O)c2)OC1(C)C 206122677 TYXXCDNEYPPDBA-UHFFFAOYSA-N 248.087 1.504 30 50 BDEA C#CCCCS(=O)(=O)NC(=O)C[C@@H](C)CC 1875291282 UEXCPCZOINXLQZ-JTQLQIEISA-N 245.344 1.282 30 50 BDEA O=C1NCCCN1/N=C/[C@@H]1CCSC1 2325750021 HDCRZKIOYZKMHY-KIFNTFBYSA-N 213.306 1.141 30 50 BDEA CCOC(=O)CCc1nc(C#N)c(N(C)C)o1 2050024771 LCXRZGOUHAKBFM-UHFFFAOYSA-N 237.259 1.108 30 50 BDEA Cc1nn(CCC#N)c(=O)c2ccccc12 4542358 AMPKYZKTSQSMHG-UHFFFAOYSA-N 213.240 1.619 30 50 BDEA N#Cc1cccc(C#N)c1N1CCOCC1 8855254 FKUSBHWNJJXNKR-UHFFFAOYSA-N 213.240 1.267 30 50 BDEA N#CCNC(=O)c1ccc(N2CCCC2=O)cc1 162029483 NVLZVFBSWFWRAQ-UHFFFAOYSA-N 243.266 1.067 30 50 BDEA N#CCc1ccnc(O)c1C(F)(F)F 238710362 VIHUPFPKKLIUHS-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](C=O)C2CC1C2 2325904048 KFDBVVGMELFDEU-KYHHOPLUSA-N 225.288 1.831 30 50 BDEA CC(C)c1ccc(C#N)c(NCC[C@@H](O)CO)n1 584886767 OJTWASNXSFDASZ-LLVKDONJSA-N 249.314 1.232 30 50 BDEA CC#CC(=O)NCc1ncc(C(F)(F)F)[nH]1 1875368836 AOLMETRIIUTFKV-UHFFFAOYSA-N 231.177 1.068 30 50 BDEA CCOc1ccc(/C(N)=N/O)cc1OC 6790867 SKBPYIRIQWBRAR-UHFFFAOYSA-N 210.233 1.188 30 50 BDEA in-vitro CN(C)c1ccc(/C=N\O)cc1[N+](=O)[O-] 6226687 YUMCLIQOJIWPEI-POHAHGRESA-N 209.205 1.469 30 50 BDEA C=CCNC(=O)c1ccc2c(c1)OCCO2 4539396 DSIOAGMVSFOZHE-UHFFFAOYSA-N 219.240 1.374 30 50 BDEA N#Cc1cccc(Cn2cnc([N+](=O)[O-])n2)c1 4866669 MVRHKUZQOYECRS-UHFFFAOYSA-N 229.199 1.106 30 50 BDEA C=CCN1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 100383919 KTONYTBRRCJAMP-NSHDSACASA-N 248.257 1.551 30 50 BDEA N#Cc1ccc(I)c(N)c1 82046560 JURDBYHADODTPF-UHFFFAOYSA-N 244.035 1.745 30 50 BDEA N#Cc1ccc(=NCc2noc(C3CC3)n2)[nH]c1 536536205 CTLPDFMGRLANSA-UHFFFAOYSA-N 241.254 1.248 30 50 BDEA CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 169968674 AESRWWTWEGTKGL-UHFFFAOYSA-N 234.108 1.338 30 50 BDEA C#CCN(C)Cc1csc(NC(C)=O)n1 192227358 FMKAHHGEQFAVNF-UHFFFAOYSA-N 223.301 1.167 30 50 BDEA Cc1cc(C#N)cc(NC(=O)[C@H]2CCCO2)n1 585124579 IJVCSLXBQFVHIT-SNVBAGLBSA-N 231.255 1.379 30 50 BDEA COc1ccc(C(=O)/C=N/O)cc1OC 2532398 GUCIRPFGGOUFKJ-IZZDOVSWSA-N 209.201 1.347 30 50 BDEA CCOC(=O)c1nccc(C#N)c1Cl 169620367 NQROQWMDTBVLPB-UHFFFAOYSA-N 210.620 1.783 30 50 BDEA c1cc2c(cc1OC[C@@H]1CO1)OCCCO2 1875378465 DLDXYJNKQPUUIU-SNVBAGLBSA-N 222.240 1.626 30 50 BDEA C#CCN(CC#N)C(=O)c1ccccc1C 252500733 TUSHKZORGJZBIP-UHFFFAOYSA-N 212.252 1.594 30 50 BDEA CC1(C)OC(=CC=NC(N)=O)OC1(C)C 254606075 JHVNOPBNMRILPL-UHFFFAOYSA-N 212.249 1.581 30 50 BDEA N#Cc1cnc(Br)c(F)c1 263625053 WIQBZSUOVUGUNZ-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA C[C@@H]1O[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 2325892931 UGJXTZVLVBIAIR-XWLWVQCSSA-N 209.289 1.565 30 50 BDEA C=CCN(C)C(=O)c1ccc2c(c1)CCNCC2 262463431 XKXKUZQLSFNVHC-UHFFFAOYSA-N 244.338 1.633 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1 169746717 ZWZCQNDLGZWCQG-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA in-vitro Cc1c(C(=O)N(C)C)sc(N)c1C#N 2387641 ZWMYVHMLPWMQOR-UHFFFAOYSA-N 209.274 1.212 30 50 BDEA in-vitro Cc1cc(C)nc(/N=C(\N)NCc2ccco2)n1 4124431 IIFYCIMQRWWGHD-UHFFFAOYSA-N 245.286 1.422 30 50 BDEA N#C[C@@H](/C=C/c1ccccc1)N1CCOCC1 19201957 JMNIJLJLTJRWIM-PSKZRQQASA-N 228.295 1.924 30 50 BDEA C[C@H]1C[C@H](N(C)c2nccc(C#N)n2)CCN1C 297133074 NCOOXKJQOQEDEH-CMPLNLGQSA-N 245.330 1.267 30 50 BDEA Cc1cc(N(C)Cc2cnccn2)cc(C#N)n1 342417566 RKODIGTUTTUGII-UHFFFAOYSA-N 239.282 1.688 30 50 BDEA c1ccc(C/N=C2/NC[C@H]3CCCN23)cc1 1775993805 LCELCVFCVXFSMS-GFCCVEGCSA-N 215.300 1.610 30 50 BDEA Cc1c(/C=N\n2cnnc2)c2ccccc2n1C 452400 NEYBDDPRTAQYRG-APSNUPSMSA-N 239.282 1.960 30 50 BDEA C=CCNC(=O)C[C@@H]1Nc2ccccc2NC1=O 5015925 FWWXCEAHLOQJJW-NSHDSACASA-N 245.282 1.112 30 50 BDEA N#Cc1ccccc1OCCn1ccnc1CO 2325880022 QQTZZNRVUXRBMH-UHFFFAOYSA-N 243.266 1.326 30 50 BDEA CCS(=O)(=O)Cc1cccc(C#N)c1 58239199 VAOSJHQNSGVYRK-UHFFFAOYSA-N 209.270 1.493 30 50 BDEA CNc1nc(C)cc(C(=O)NC2(C#N)CCC2)n1 225802218 QDEOGMDECIVLCN-UHFFFAOYSA-N 245.286 1.003 30 50 BDEA N#Cc1cccn(Cc2ccc(Cl)nc2)c1=O 71783024 ATBKIGOJNCYCIL-UHFFFAOYSA-N 245.669 1.817 30 50 BDEA C[S+](C)Cc1cc([N+](=O)[O-])ccc1O 35024584 NDJYMLKYQOXZIA-UHFFFAOYSA-O 214.266 1.678 30 50 BDEA O=C(N=C1N[C@@H]2CCCC[C@H]2N1)c1ccccc1 49749967 WWYKJYPDLWLCMO-VXGBXAGGSA-N 243.310 1.687 30 50 BDEA C=CCC1(C(=O)Nc2nc(C)n(C)n2)CCC1 293817955 ZFDIJESJLFOGLQ-UHFFFAOYSA-N 234.303 1.808 30 50 BDEA CNCc1ccccc1B1OC(C)(C)C(C)(C)O1 169904413 KWMMOAKRTGRWBD-UHFFFAOYSA-N 247.147 1.705 30 50 BDEA in-vitro N#CCC1(O)CN(Cc2ccc3c(c2)CCO3)C1 191913391 VYRXYIGMBFFIMB-UHFFFAOYSA-N 244.294 1.082 30 50 BDEA C=CCOCC(CC)(CO)COCC=C 1850944 BDKDHWOPFRTWPP-UHFFFAOYSA-N 214.305 1.780 30 50 BDEA in-vitro CC#CC(=O)N1CCC[C@@]2(C=CCO2)CC1 1875370090 BHKSOITYCGRMBY-CYBMUJFWSA-N 219.284 1.347 30 50 BDEA CCOC(=O)c1ccc(NC(=O)CC#N)cc1 3177310 KQSPTNNCXGBAKE-UHFFFAOYSA-N 232.239 1.715 30 50 BDEA Cc1ccc([C@@H]2CN([C@@H](C)C#N)CCO2)o1 182254649 RDNVEZOYESPRKP-CABZTGNLSA-N 220.272 1.873 30 50 BDEA C=C1[C@H]2[C@@H]3C[C@H](C)[C@@]1(C)CC[C@]2(CO)C(=O)O3 104301394 LGVRUXHWICRLFE-FTSPSDRYSA-N 236.311 1.903 30 50 BDEA Cc1cccc(CN2C[C@H](/C(N)=N/O)CC2=O)c1 221630725 YJWMNHVICCUOTH-LLVKDONJSA-N 247.298 1.090 30 50 BDEA CC[C@H](C#N)C(=O)N1CC[C@H](C)[C@H](OC)C1 300026927 XRQPDWIOMNQWNZ-HBNTYKKESA-N 224.304 1.420 30 50 BDEA CN1CC[C@@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C1 272206604 PNCBSBVGEZOMEF-BXUZGUMPSA-N 242.326 1.484 30 50 BDEA CC1(C)OB(C2=CCNCC2)OC1(C)C 169747123 AIPUNCFCQBDNDJ-UHFFFAOYSA-N 209.098 1.538 30 50 BDEA in-vitro N#CCCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337273397 CRSLVKIMANTPJJ-YNEHKIRRSA-N 222.332 1.916 30 50 BDEA C=C(C)CNC(=S)Nc1ccccn1 273469 PHBYXKMBARAIJL-UHFFFAOYSA-N 207.302 1.944 30 50 BDEA N#Cc1ncc(-c2ccccc2)nc1C#N 336209 KSVMJUBGOLBDJX-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA CC(C)NS(=O)(=O)Cc1ccc(C#N)cc1 8037224 JPGWZGPXJCIUHP-UHFFFAOYSA-N 238.312 1.386 30 50 BDEA COC(=O)CSc1cccc(F)c1C#N 2550043 IAOOECWHCYANCK-UHFFFAOYSA-N 225.244 1.962 30 50 BDEA in-vitro C#CCOC(=O)N[C@H](C)Cc1c(C)noc1C 583651713 RQYFAKKZIARDHS-MRVPVSSYSA-N 236.271 1.582 30 50 BDEA C#CCOCCOCCC(=O)OC(C)(C)C 222188674 DPARWKDJMUCBKM-UHFFFAOYSA-N 228.288 1.385 30 50 BDEA in-vitro C=CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 4776604 GRHHTPVRSZOONH-UHFFFAOYSA-N 221.216 1.902 30 50 BDEA in-vitro N#Cc1cccc(O[C@@H]2CCCNC2)c1 12359860 OSURJDMYHKQISX-GFCCVEGCSA-N 202.257 1.689 30 50 BDEA in-vitro O=C(Nc1cccc(Cl)c1)OCC#CCO 5785077 ACYQQFWLJXHFND-UHFFFAOYSA-N 239.658 1.884 30 50 BDEA Cc1cc(C)c(F)c(N2C[C@@H](O)[C@H](CC#N)C2)n1 2325789297 IOZIXDJVHFIPGP-GHMZBOCLSA-N 249.289 1.548 30 50 BDEA C=C(CCCC1(C)OCCO1)C(=O)OC 3075318 AJHWQYHJELJXSY-UHFFFAOYSA-N 214.261 1.649 30 50 BDEA CC(=O)C1=C(O)N2c3ccccc3N[C@H]2N=C1 100097228 XTVOAPXXHFQWOH-GFCCVEGCSA-N 229.239 1.645 30 50 BDEA COc1ccc2c(c1)CC[C@@H](C#N)C2=O 71773966 WRHKGRFEYPLASV-VIFPVBQESA-N 201.225 1.964 30 50 BDEA N#Cc1ccnc(Br)c1F 263623667 JMTKEYNXPPEWFG-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA CC(C)(C)C(=O)Nc1ccc(C#N)cn1 51952860 VKBUZEJNXFACJG-UHFFFAOYSA-N 203.245 1.938 30 50 BDEA in-vitro CC(C)(CO)[C@@H](NC(=O)CC#N)c1ccccc1 562964587 FZCSHWJYWPCTDE-ZDUSSCGKSA-N 246.310 1.776 30 50 BDEA Cn1ncc(C2CC2)c1B1OC(C)(C)C(C)(C)O1 575596700 BMNFSWIRHCGCMD-UHFFFAOYSA-N 248.135 1.597 30 50 BDEA N#CCCCS(=O)(=O)N[C@@H]1C[C@H]1C1CCC1 583651730 RWUHRONELMGWLA-WDEREUQCSA-N 242.344 1.398 30 50 BDEA O=C(/C=C/c1ccccc1)ON1C(=O)CCC1=O 114814 HWJDKYQDNRUICL-RMKNXTFCSA-N 245.234 1.307 30 50 BDEA biogenic,in-vitro C=C(C)CNc1nc2nonc2nc1NC1CC1 14950245 ASKUWGRWNQTSFG-UHFFFAOYSA-N 246.274 1.575 30 50 BDEA Cc1cc(CNC(=O)[C@H]2CO2)ccc1Cl 1875373173 VKMFHLKCUOMDDR-SNVBAGLBSA-N 225.675 1.663 30 50 BDEA Cn1c(NC(=O)C2CC2)nc2ccc(C#N)cc21 2325736886 IFELACYKYJUVOF-UHFFFAOYSA-N 240.266 1.793 30 50 BDEA N#Cc1cnn(-c2ccc(Cl)cc2)c1N 93021 WIWSALMJHPGFDY-UHFFFAOYSA-N 218.647 1.980 30 50 BDEA in-vivo CSc1nc(SC)c(C#N)c(=O)[nH]1 337096 VABZIQBBIOAIOS-UHFFFAOYSA-N 213.287 1.085 30 50 BDEA C[C@H]1[C@@H](C)O[C@H](C)CN1c1cnc(C#N)cn1 408444380 SNGGQAPXPIIMRQ-KXUCPTDWSA-N 232.287 1.350 30 50 BDEA CCN(CCS(C)(=O)=O)CC1(CC#N)CC1 585116660 DPCJCXVUCPQWJK-UHFFFAOYSA-N 244.360 1.047 30 50 BDEA CC(=O)c1cccc(NC(=O)CC#N)c1 5900579 LAFYQDRMYJMVTJ-UHFFFAOYSA-N 202.213 1.741 30 50 BDEA O=C1CN[C@@H](c2ccc(Cl)cc2Cl)N1O 19608499 ZRJJLCAXBJSTKG-SECBINFHSA-N 247.081 1.813 30 50 BDEA Cc1c(Cl)cccc1/N=C(\N)NC(=N)N 13153427 ADAYMJIUZHEBPP-UHFFFAOYSA-N 225.683 1.078 30 50 BDEA CC#CC(=O)NC1(c2ccncc2)CC1 1875377347 XXUXHNPYVBEYPG-UHFFFAOYSA-N 200.241 1.210 30 50 BDEA Cc1cc(CNC(=O)[C@@H]2CO2)ccc1Cl 1875373172 VKMFHLKCUOMDDR-JTQLQIEISA-N 225.675 1.663 30 50 BDEA COC(=O)c1ccccc1CO/N=C(\C)C(C)=O 1775984642 KWOYHSIGKVQLLD-NTEUORMPSA-N 249.266 1.955 30 50 BDEA COC(=O)c1cc(C)sc1NC(=O)CC#N 6796568 OQEVUDVRKCTMPX-UHFFFAOYSA-N 238.268 1.695 30 50 BDEA C[C@H](O)[C@H]1CCN(c2ccc(C#N)nc2)C1 165853612 CGMRLXYKUHAGAO-UWVGGRQHSA-N 217.272 1.160 30 50 BDEA CC1(C)OB(c2cccc3c2CCO3)OC1(C)C 170022975 UPWYEWDEBPZMJX-UHFFFAOYSA-N 246.115 1.921 30 50 BDEA CCOC(=O)COc1ccccc1/C(C)=N/O 5592167 YGTSQPPVNUFXAS-UKTHLTGXSA-N 237.255 1.827 30 50 BDEA C[C@@H](C#N)C(=O)N[C@@H]1CCCC(F)(F)C1 335884926 PZDDMWYKSGNKBI-JGVFFNPUSA-N 216.231 1.840 30 50 BDEA CCOC(=O)CNc1nc(Cl)c(C#N)s1 406005 PXVIWSTWEYYIOC-UHFFFAOYSA-N 245.691 1.643 30 50 BDEA CC(C)N(C)C/C(O)=N/C[C@@H]1NCCC[C@H]1C 328600342 XDAQQGOVBJFQJH-NEPJUHHUSA-N 241.379 1.671 30 50 BDEA C[C@H](F)CC/N=C(/O)c1cccnc1O 330769770 ALQHODYUZDZEIQ-ZETCQYMHSA-N 212.224 1.840 30 50 BDEA CC(C)(CC#N)CNC(=O)N1CC(F)C1 335589414 JRDSVBLAMXZWMF-UHFFFAOYSA-N 213.256 1.290 30 50 BDEA N#Cc1ccc(N2CCC[C@@H]2CF)nc1 292770869 LBDDOJKDAPDJAU-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA C[C@H]1C[C@@H](C(=O)O)CN(c2cnccc2C#N)C1 263286386 YBRIIUVNUQQKDQ-GXSJLCMTSA-N 245.282 1.500 30 50 BDEA C=C(C)CN/C(N)=N/C[C@H]1CCC=CO1 239722519 CDCFOAKHVXKWLS-SNVBAGLBSA-N 209.293 1.160 30 50 BDEA CN(CC(C)(C)C#N)c1cccc(C(=O)O)n1 263399598 IOFUCRZKBYWWQN-UHFFFAOYSA-N 233.271 1.766 30 50 BDEA CCOS(=O)(=O)c1ccc(NC(C)=O)cc1 230573482 AIBLOOGGNOYFSG-UHFFFAOYSA-N 243.284 1.370 30 50 BDEA Cc1cc(N2CCN(CCCC#N)CC2)n[nH]1 187268481 WVXAZFMAPHVQGM-UHFFFAOYSA-N 233.319 1.144 30 50 BDEA CNCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 170006038 SRHDQHSHCQIKAU-UHFFFAOYSA-N 247.147 1.705 30 50 BDEA in-vitro C#CCCCCN1C(=O)CN(CCCF)C1=O 1875313176 IVOASCBDHJHEFX-UHFFFAOYSA-N 240.278 1.414 30 50 BDEA COCC1CN(c2nnc(C)c(C)c2C#N)C1 601186660 UCFZGLXSPJWFNS-UHFFFAOYSA-N 232.287 1.048 30 50 BDEA CC(=N/O)/C(=N\O)C(=O)N1CCCCCC1 5369821 HQJKPDLGLARMCB-QABOREQESA-N 227.264 1.069 30 50 BDEA C=CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 2325884984 RTJVXUKJEDGZRZ-NSHDSACASA-N 243.266 1.119 30 50 BDEA N/C(COc1cccc(C(F)(F)F)c1)=N/O 3883504 SKUBUDPNDFNCOV-UHFFFAOYSA-N 234.177 1.831 30 50 BDEA N#Cc1ccc2nccn2c1Br 306293143 WMLIQBHERPYMGO-UHFFFAOYSA-N 222.045 1.968 30 50 BDEA C=C/C(O)=N/[C@@H]1CCCn2nc(C)nc21 328599762 TYMGGICJPFLRAH-MRVPVSSYSA-N 206.249 1.564 30 50 BDEA C=CCNC(=S)Nc1ccc(O)cc1 5498634 UCVFACUXEHCDOR-UHFFFAOYSA-N 208.286 1.865 30 50 BDEA COc1ccc(C(=O)N(CC#N)CC#N)cc1 101593 AMTRVAQRJIKPLH-UHFFFAOYSA-N 229.239 1.185 30 50 BDEA biogenic N#Cc1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1 3132409 ZOUCDMQULCOBMZ-UHFFFAOYSA-N 240.242 1.802 30 50 BDEA C[C@@H](CN(C)c1ccc(F)cc1C#N)C(=O)O 111025999 ZUYKHVRMVDCDJD-QMMMGPOBSA-N 236.246 1.854 30 50 BDEA Cc1cncc(N2CCC[C@H](C=O)C2)n1 12370615 NVGILFLKKKTQML-JTQLQIEISA-N 205.261 1.200 30 50 BDEA in-vitro N#Cc1ccc(OC[C@H]2C[C@@H](O)C2)cc1F 335512699 SCXTZAUVJJMQNA-WAAGHKOSSA-N 221.231 1.847 30 50 BDEA N/C(S)=N\N=C\c1ccc([N+](=O)[O-])cc1 13571510 HSDCBIHJEGDMDO-BJMVGYQFSA-N 224.245 1.173 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccco1 340415 YZVTZMKFPYZHSA-SNVBAGLBSA-N 220.228 1.497 30 50 BDEA COC1=C(C)C(=O)c2ccccc2C1=O 402385 CNZJAOOYWYLTEC-UHFFFAOYSA-N 202.209 1.986 30 50 BDEA C[C@@H](CO)n1ccnc1-c1cccc(C#N)c1 71747502 RMXCBRBVCLIFNT-JTQLQIEISA-N 227.267 1.975 30 50 BDEA C=CC(C)(C)C(=O)N1CCO[C@H](CF)C1 335224960 RNHVHHWFDJDATF-SECBINFHSA-N 215.268 1.396 30 50 BDEA CO[C@@H]1CN(C(=O)[C@H](C)C#N)CC[C@@H]1C 221267367 FDYXKTTZTAUIGU-IVZWLZJFSA-N 210.277 1.029 30 50 BDEA C=CCN1CCC[C@H]1C(=O)Nc1cn(C)nc1C 1529181798 PNTBBKKUVKXJHQ-LBPRGKRZSA-N 248.330 1.317 30 50 BDEA Cc1oncc1B1OC(C)(C)C(C)(C)O1 169747281 VWYZENWRLMNXDO-UHFFFAOYSA-N 209.054 1.282 30 50 BDEA CC(C)N1CCc2c(sc(N)c2C#N)C1 49943 GRVDEWDYQKUPSB-UHFFFAOYSA-N 221.329 1.968 30 50 BDEA aggregator,in-vitro C#CCN(C)[C@@H](C(=O)O)c1cc(C)ccc1OC 55413647 UPDHNKBTCZSGOF-CYBMUJFWSA-N 247.294 1.694 30 50 BDEA C=CCN(C(=O)c1cn(C(C)(C)C)nn1)C1CC1 331428457 CKPRQHAKSFBYCJ-UHFFFAOYSA-N 248.330 1.824 30 50 BDEA C[C@H]1CCCN([C@@H](C)C/N=C(\N)NC2CC2)C1 253416440 BZBRWOUNGHKXGU-QWRGUYRKSA-N 238.379 1.174 30 50 BDEA CC1=C[C@@]2(C)C[C@H]1[C@@H]1C(=O)C=CC(=O)[C@H]12 139810958 WYEUOKRQYOEJHM-STRQVWJDSA-N 202.253 1.913 30 50 BDEA CCCn1nccc1B1OC(C)(C)C(C)(C)O1 169747962 FLLUYNSHSZMQPN-UHFFFAOYSA-N 236.124 1.592 30 50 BDEA in-vitro N#Cc1cnn2cc(Br)cnc12 3164471 IDYCEZBYNPADDN-UHFFFAOYSA-N 223.033 1.363 30 50 BDEA in-vitro CC1(C#N)CN(C(=O)c2cnn3ccccc23)C1 330161641 TYYSGEIEWOXCLN-UHFFFAOYSA-N 240.266 1.320 30 50 BDEA C=CCc1ccccc1OCCN(C)CC(=O)O 55281275 FPCJCLJKKFBCSK-UHFFFAOYSA-N 249.310 1.810 30 50 BDEA C[C@@H]1CC[S@@](=O)CCN1c1ccc(C#N)cn1 252480034 BSNPXWMKNCPFKU-BMLIUANNSA-N 249.339 1.301 30 50 BDEA CCn1nncc1/C(O)=N/[C@@H]1C=CCCC1 328921641 UCFPYYRTECDKSK-SECBINFHSA-N 220.276 1.711 30 50 BDEA CS(=O)(=O)OCCC1=CCCCC1 196107962 ALBFKWYZSTXVDI-UHFFFAOYSA-N 204.291 1.853 30 50 BDEA COC(=O)[C@H](C#N)c1ccc([N+](=O)[O-])cc1F 675050340 AZSJUMIYXYSMEK-MRVPVSSYSA-N 238.174 1.514 30 50 BDEA c1ccc(CN=C2N[C@H]3CCC[C@H]3N2)cc1 1775994030 PZBBXEHKFITWLH-TXEJJXNPSA-N 215.300 1.657 30 50 BDEA C#CC[C@H](CC(=O)O)NC(=O)OC(C)(C)C 2385798 QZRLAJLEZVWLOV-MRVPVSSYSA-N 227.260 1.378 30 50 BDEA in-vitro Cc1cc(C)cc(N/C(S)=N/CCO)c1 2783843 QLCDUUVPJBSQEZ-UHFFFAOYSA-N 224.329 1.993 30 50 BDEA c1cc2c(c(OC[C@@H]3CO3)c1)CCOC2 1857780819 RMGHVXZCSKWOLT-JTQLQIEISA-N 206.241 1.537 30 50 BDEA CC(=O)N(C1CC1)[C@H](C#N)c1ccc(O)cc1 1857778859 LFOHKIROWSPTBD-CYBMUJFWSA-N 230.267 1.968 30 50 BDEA C=C[C@]1(C=O)COCCN1C(=O)OC(C)(C)C 1857782231 XCDSCCUFSRAPRY-LBPRGKRZSA-N 241.287 1.377 30 50 BDEA Cn1cnc(-c2ccc(OC[C@@H]3CO3)cc2)n1 1875379753 WGKLUIFEZSFRNK-LLVKDONJSA-N 231.255 1.260 30 50 BDEA C=CCN1C(=O)C2(OCCO2)c2ccccc21 3121065 ZGOFJTSJOCTAMY-UHFFFAOYSA-N 231.251 1.419 30 50 BDEA CC[C@H](C#CCN(CC)CC)OC(C)=O 3669703 PVJSISAHRZNWAJ-GFCCVEGCSA-N 211.305 1.673 30 50 BDEA N/C(=N\OC(=O)C1CCCCC1)c1ccccn1 8553192 RGUBZOCFUPLIRW-UHFFFAOYSA-N 247.298 1.825 30 50 BDEA CC(C)(C)OC(=O)N[C@]1(C#N)CCOC1 218619690 BQRYMWAOQMEASJ-JTQLQIEISA-N 212.249 1.194 30 50 BDEA in-vitro CC(C)N/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328619910 GKHZBJNKOFRAHW-GHMZBOCLSA-N 228.336 1.960 30 50 BDEA N#CCCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 334151861 LMJFMLBDJQFPGV-CHWSQXEVSA-N 234.274 1.847 30 50 BDEA N#CCC(=O)NC[C@@H]1CCCCC1(F)F 335414818 DJKHBJDVBWCLDT-QMMMGPOBSA-N 216.231 1.842 30 50 BDEA C#C[C@@H](NC(=O)NCCOCC(=C)C)C(C)C 225593108 ZOMUWAPKPWTIJT-GFCCVEGCSA-N 238.331 1.536 30 50 BDEA Cn1cc(-c2n[nH]c3c(C#N)cccc23)cn1 170622774 MQOAPUOCEWVFDC-UHFFFAOYSA-N 223.239 1.835 30 50 BDEA C=CCN(Cc1cccnc1)C(=O)[C@@H]1CCOC1 67872907 FMPXPMAWKOJDNG-CYBMUJFWSA-N 246.310 1.633 30 50 BDEA CC1CCN(/C(N)=N/C[C@@H]2CCC=CO2)CC1 253392977 OIOCPBBGDRRYDH-LBPRGKRZSA-N 237.347 1.726 30 50 BDEA C=C(C)C[C@@](O)(C(=O)OCC)C(F)(F)F 16159324 OUJRZMYAWPFRSV-MRVPVSSYSA-N 226.194 1.809 30 50 BDEA in-vitro C=C(C)CN(C)C(=O)c1ccc(C(=O)O)cn1 135313648 PHAHAZXLTWLXER-UHFFFAOYSA-N 234.255 1.428 30 50 BDEA C=CCNC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 5029996 XUXGLCYDDIKPIP-GFCCVEGCSA-N 248.257 1.621 30 50 BDEA Cc1nnc(C)n1/N=C\c1ccccc1[N+](=O)[O-] 4855017 RZSYOLVVOXLAGC-GHXNOFRVSA-N 245.242 1.685 30 50 BDEA CC#CC(=O)NC[C@@H](C)Oc1ccccc1C 283324207 VZNRZPZBFKFHMH-GFCCVEGCSA-N 231.295 1.902 30 50 BDEA C=CCOc1cccc(C(=O)N2CCOCC2)c1 137887372 BPRKLVGDSYTCKM-UHFFFAOYSA-N 247.294 1.724 30 50 BDEA CCS(=O)(=O)N[C@@]1(C#N)CCC[C@H](C)C1 130492503 ICFCZNLJNQCWKC-UWVGGRQHSA-N 230.333 1.398 30 50 BDEA COc1ccc(Br)c(CC#N)n1 238431231 IQHNHYDGJHATOP-UHFFFAOYSA-N 227.061 1.919 30 50 BDEA COCC#CCOc1ccc(F)cc1C=O 585137145 KEPMFCMPSGERPP-UHFFFAOYSA-N 222.215 1.667 30 50 BDEA N#Cc1cccc(NC(=O)N[C@H](CO)CF)c1 1875298897 RGWDHBKGGRBIKS-JTQLQIEISA-N 237.234 1.010 30 50 BDEA N#Cc1cnn2c1NCC[C@H]2C(F)(F)F 2537087 YTBDJQJHTBGQDN-LURJTMIESA-N 216.166 1.674 30 50 BDEA NC(=O)[C@@](F)(OC(F)(F)F)C(F)(F)F 4528482 RODHNODFUBONAV-UWTATZPHSA-N 229.051 1.236 30 50 BDEA C#C[C@H](CN1CCCCC1)N1CCCCC1 20033150 GTCGNFDJRRVHIB-CQSZACIVSA-N 220.360 1.960 30 50 BDEA CC(C)n1cnnc1C/N=C(/O)c1cn[nH]c1 330738977 ZTFYFRBPKKOKRC-UHFFFAOYSA-N 234.263 1.087 30 50 BDEA CCn1c(/C=N/n2cnnc2)nc2ccccc21 304262 SUXAEUUHEMWNQY-VIZOYTHASA-N 240.270 1.530 30 50 BDEA O=C(OC1CCCC1)ON1C(=O)CCC1=O 2525166 MKHDXOXWZKDUKB-UHFFFAOYSA-N 227.216 1.146 30 50 BDEA in-vitro Cc1cnc(B2OC(C)(C)C(C)(C)O2)s1 169906757 LOEFTPIZRSSKLD-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA C=CCN(CCO)C(=O)c1ccccc1 158784765 KXVNVUCBWGJRSU-UHFFFAOYSA-N 205.257 1.307 30 50 BDEA O=C([C@@H]1CO1)N1COCC[C@@H]1c1ccccc1 1875373032 SCHKTNQSKUWMBJ-NEPJUHHUSA-N 233.267 1.333 30 50 BDEA C#CC[C@@H](CO)N=c1[nH]c2ccccc2o1 408518510 LEJZLAOTPYHYOR-VIFPVBQESA-N 216.240 1.046 30 50 BDEA C#CCN/C(=N/C)NCC1(CC)CCC1 225510874 SGVVPLQCIAUSCB-UHFFFAOYSA-N 207.321 1.365 30 50 BDEA COc1cc(Br)cnc1/C=N/O 35270389 BMQGIVOUQGZCMY-ONNFQVAWSA-N 231.049 1.661 30 50 BDEA CCS(=O)(=O)Nc1cccc(C)c1C#N 130315269 JPIRAWACWLUZGH-UHFFFAOYSA-N 224.285 1.628 30 50 BDEA Cn1cc(I)cc1C#N 226033310 QBOJBXKGSDIAPG-UHFFFAOYSA-N 232.024 1.501 30 50 BDEA C=CCNC(=O)CN[C@@H](C)c1ncc(C)s1 184983510 OSZHMIZFRXYAEE-VIFPVBQESA-N 239.344 1.404 30 50 BDEA CO[C@@](C)(CNC(=O)[C@@H]1CO1)c1ccccc1 1875372220 AGDGTHQHMZVTQR-AAEUAGOBSA-N 235.283 1.063 30 50 BDEA CC#CC(=O)N1Cc2cc(F)c(F)cc2C1 848315305 ZVYPNXVJRFBOAM-UHFFFAOYSA-N 221.206 1.830 30 50 BDEA CCn1ncc(C(=O)N(C)[C@H](C)CC#N)c1C 601036427 CHFKFCZALVFCFZ-SECBINFHSA-N 234.303 1.586 30 50 BDEA Cn1nnc(C/N=C(/O)C[C@H]2C=CCC2)n1 330207226 FVKZITZHXQOAAJ-QMMMGPOBSA-N 221.264 1.023 30 50 BDEA CN[C@@H]1CCCN(c2ccc(C#N)c(C)n2)C1 261545108 FOABIAGBIICUDK-GFCCVEGCSA-N 230.315 1.450 30 50 BDEA C=CC[C@@]1(C(=O)O)CCCN(CCOC)C1 92064845 FPKOUCRJCOMEEB-GFCCVEGCSA-N 227.304 1.376 30 50 BDEA N#Cc1cc(CO)ccc1Br 95935111 QGKIDJKOPKESAI-UHFFFAOYSA-N 212.046 1.813 30 50 BDEA C=C[C@](C)(OC)n1nnc2ccccc21 1534067566 WNZPJEUWAPBXAE-NSHDSACASA-N 203.245 1.936 30 50 BDEA C=C1CC(NC(=O)c2cc(O)nc(C3CC3)n2)C1 1875298534 DOMDCXIMUMBUND-UHFFFAOYSA-N 245.282 1.508 30 50 BDEA O=S(=O)(NN=C1CCCC1)c1ccccc1 444150 HDCHKNOYXSKAPN-UHFFFAOYSA-N 238.312 1.895 30 50 BDEA COC(=O)COc1ccc(C#N)cc1OC 4825834 BCIDELBIJDWZQH-UHFFFAOYSA-N 221.212 1.119 30 50 BDEA CN/C(=N/C[C@H]1CCC=CO1)NCc1ccco1 241776776 RSKZQTKTFODTFA-LLVKDONJSA-N 249.314 1.637 30 50 BDEA O=c1[nH]c(SCC#CCO)nc2ccccc12 5129306 APBSPZWDIAFYSQ-UHFFFAOYSA-N 246.291 1.011 30 50 BDEA CC1(C)OB(c2ccc3nonc3c2)OC1(C)C 169743459 MQXANAGMQAYTMV-UHFFFAOYSA-N 246.075 1.522 30 50 BDEA CCOC(=O)[C@]12C[C@H]1/C(=N/O)c1ccccc1O2 100322623 FXCTZFMSAHZQTR-DRYKPYBASA-N 247.250 1.579 30 50 BDEA in-vitro C#CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 2385930 QZRLAJLEZVWLOV-QMMMGPOBSA-N 227.260 1.378 30 50 BDEA in-vitro C=C1CN(C(=O)NC[C@H](c2ccco2)N(C)C)C1 952878359 CQUWLUUQWAESND-LLVKDONJSA-N 249.314 1.464 30 50 BDEA C=CC[C@H](C(=O)N1CCC[C@H](C)C1)N(C)C 1875273675 AGZBZAPUDONJKK-NWDGAFQWSA-N 224.348 1.751 30 50 BDEA Cc1ccc(C(=O)O)c(N2CCC[C@H](C#N)C2)n1 32587028 BJDOBGJPUDABSJ-SNVBAGLBSA-N 245.282 1.828 30 50 BDEA O=C(C[n+]1cccc(CO)c1)c1ccccc1 1559951 WOFCHVGESUUAEM-UHFFFAOYSA-N 228.271 1.349 30 50 BDEA C=CCNS(=O)(=O)c1ccc(C)c(C)c1 3249590 LASQOEJEPXWIAV-UHFFFAOYSA-N 225.313 1.768 30 50 BDEA O=C1[C@H]2C=C[C@@H](C2)[C@@H]1[C@]1(O)/C(=N/O)[C@H]2C=C[C@H]1C2 257356927 LDKPYNVLEBYVCG-HDANRKNOSA-N 245.278 1.145 30 50 BDEA CC1(C)COB(c2ccc(C(=O)O)cc2)OC1 169807903 IGZPAPRBHZGJHV-UHFFFAOYSA-N 234.060 1.153 30 50 BDEA C=CC[C@@]1(C(=O)Nc2cc[nH]n2)CCCN1 635527729 LEWPPMJJNWXPOP-NSHDSACASA-N 220.276 1.047 30 50 BDEA C=CCC[C@@H](C)N[C@@H]1CCC(=O)N(C)C1 126845419 VPKODQMAZWKQKZ-GHMZBOCLSA-N 210.321 1.552 30 50 BDEA CC#CC(=O)N(CC(F)F)C[C@@H]1CCC=CO1 1875363242 MPAHKKPDDXNHML-JTQLQIEISA-N 243.253 1.796 30 50 BDEA CCNC(=S)N/N=C/c1ccc(O)cc1 2530353 QCKDCHJLJGOWCP-KPKJPENVSA-N 223.301 1.210 30 50 BDEA C=CCOc1ccc(=O)n(-c2ccccc2)n1 2814443 ROWMLNFIJAKPQQ-UHFFFAOYSA-N 228.251 1.797 30 50 BDEA O=C(O/N=C1/CCCc2nonc21)C(F)(F)F 4953573 VCCDFJTXWSPIPH-QCDXTXTGSA-N 249.148 1.216 30 50 BDEA CC[C@]1(C)OC(=O)N(CCC#N)[C@@]1(C)O 4491450 GAFYBIUOVSDPML-UWVGGRQHSA-N 212.249 1.229 30 50 BDEA C=C1CC(NC(=O)OC(C)(C)C)(C(=O)O)C1 238121304 YGUJQBVBGCZLPJ-UHFFFAOYSA-N 227.260 1.685 30 50 BDEA N#Cc1cnc2ccc(Br)cn12 89202024 PJSBOEVNEUCHIG-UHFFFAOYSA-N 222.045 1.968 30 50 BDEA in-vitro COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169745940 QOGNDJLSYMJGPP-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA in-vitro C#C[C@H](NC(=O)C=C)c1ccc(F)cc1 1120461702 JZWGYPJNELTOGP-NSHDSACASA-N 203.216 1.802 30 50 BDEA N#Cc1ccc(N2CCOCC2)c(F)c1 860142 QRRSOXPTKLNRCM-UHFFFAOYSA-N 206.220 1.534 30 50 BDEA in-vitro CC1(CC/N=C(/O)[C@H]2CCc3nncn3C2)CC1 329064335 KMGPPSNUFULPLZ-JTQLQIEISA-N 248.330 1.987 30 50 BDEA N/C(=N/O)c1ccc(Br)cc1 16082759 KCHIZOZPSSURRB-UHFFFAOYSA-N 215.050 1.544 30 50 BDEA in-vitro COC(=O)/C(=C/C(F)=C/N(C)C)C(C)=O 18120486 UWYGGQPAZKIDKR-POEMVANMSA-N 215.224 1.047 30 50 BDEA CCOc1ccc(C(=O)/C=C/C(=O)O)cc1 129057 WKIKNOMECIZQHQ-BQYQJAHWSA-N 220.224 1.909 30 50 BDEA in-vitro CC(C)(O)c1ccc(OC[C@H]2CO2)c(F)c1 1875379905 ZHALXDKQGVKIAH-SECBINFHSA-N 226.247 1.831 30 50 BDEA CC(C)Cn1ncnc1Cn1cc(C#N)cn1 282184684 GOLQMCLOXBELIJ-UHFFFAOYSA-N 230.275 1.051 30 50 BDEA CC#CC(=O)N(Cc1ccccn1)C1CC1 277282625 BHRWERGIVBNUJQ-UHFFFAOYSA-N 214.268 1.596 30 50 BDEA Cc1ccc(S(=O)(=O)OCF)cc1 98180668 RFCGZPLGJZELOK-UHFFFAOYSA-N 204.222 1.627 30 50 BDEA in-vitro COc1ccc(CCNC(=O)CC#N)cc1OC 165210 NMUPQXBMCWDTSX-UHFFFAOYSA-N 248.282 1.276 30 50 BDEA in-vitro C(=N/n1ccnn1)\[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2325791753 ILCZOLPRBIUFLP-PZTUYMDISA-N 202.261 1.404 30 50 BDEA CC(C)[C@H]1NC(=O)NC2=C1C(=O)CC(C)(C)C2 390473 SZYNKKZRZOLFQE-LLVKDONJSA-N 236.315 1.967 30 50 BDEA C=CCOc1cccc(CNc2nnn[nH]2)c1 6192717 ROUDXHAABXVAAN-UHFFFAOYSA-N 231.259 1.377 30 50 BDEA O=C1[C@H]([C@@]2(O)/C(=N/O)[C@H]3C=C[C@H]2C3)[C@H]2C=C[C@H]1C2 104304477 LDKPYNVLEBYVCG-PJQUOODXSA-N 245.278 1.145 30 50 BDEA O=C1/C(=C/c2ccco2)N2CCC1CC2 39315673 HNLJEHXLQINNQQ-FLIBITNWSA-N 203.241 1.915 30 50 BDEA C=CCOc1nc(OCC=C)nc(OCC=C)n1 1680407 BJELTSYBAHKXRW-UHFFFAOYSA-N 249.270 1.566 30 50 BDEA biogenic,in-vitro Cc1nnccc1N=C(O)N1CCC(F)(F)C1 330125732 LZZYWUQPRTUDEN-UHFFFAOYSA-N 242.229 1.672 30 50 BDEA C=CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4071516 CVVBGDBIKFBSTO-UHFFFAOYSA-N 242.256 1.059 30 50 BDEA N#CC[C@@H]1CNCCN1Cc1ccccc1 165626687 RSBDWVSKPHPULI-CYBMUJFWSA-N 215.300 1.374 30 50 BDEA C[C@@H]1S/C(=N/C(=O)c2ccco2)NC1=O 18088984 FDLRGFCBXMSKBP-YFKPBYRVSA-N 224.241 1.027 30 50 BDEA CC1(C)OB(c2cn3ccccc3n2)OC1(C)C 206110263 GKDAMYHJOCAZFN-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA COC[C@@H]1CN(CCCC#N)C[C@@H](C)O1 225488660 GYKFUKQHHFTXJL-MNOVXSKESA-N 212.293 1.026 30 50 BDEA CC#CC(=O)N[C@@H]([C@H]1CCCOC1)C(F)(F)F 1875367511 JBTUGHGZADVCCK-WPRPVWTQSA-N 249.232 1.483 30 50 BDEA CCOC(=O)c1cc(C#N)c(N)nc1C 20389275 BBBXNFJPLSWDRO-UHFFFAOYSA-N 205.217 1.021 30 50 BDEA COC(=O)C(=O)C1=C(O)c2ccccc2CC1 111442199 UHGSWZFWUMAHPQ-UHFFFAOYSA-N 232.235 1.644 30 50 BDEA COC(=O)c1scc(C)c1NC(=O)CC#N 1026393 QXKMIUNWFGNKID-UHFFFAOYSA-N 238.268 1.695 30 50 BDEA N#CCNc1ncncc1Br 252478650 ARDIKGMLOGAZCL-UHFFFAOYSA-N 213.038 1.175 30 50 BDEA CC(C)/C(O)=N/S(=O)(=O)c1ccc(N)cc1 257855 QXFGFBHGALLBRK-UHFFFAOYSA-N 242.300 1.570 30 50 BDEA CC(C)(C)OC(=O)N1CCN(CC#N)CC1 17112837 OJUKCGDZZNLDPC-UHFFFAOYSA-N 225.292 1.063 30 50 BDEA in-vitro C#CCN(C)C/C=C/C(=O)N1C[C@H](C)C[C@@H](C)C1 1875387577 OKGOVQYEUIOTIS-JLVOYYQZSA-N 248.370 1.612 30 50 BDEA C=C1CC(CC(=O)N(Cc2nn[nH]n2)C2CC2)C1 2325806838 JXEHLSYMSAGEDQ-UHFFFAOYSA-N 247.302 1.047 30 50 BDEA C=CCSc1nc2c(N)ncnc2[nH]1 1670202 DOYSLTRBQNHREN-UHFFFAOYSA-N 207.262 1.213 30 50 BDEA C=CCNc1c(CC)c(C)nc2nc(C)nn12 6747150 VYHYHIKZSGKSNC-UHFFFAOYSA-N 231.303 1.901 30 50 BDEA N#Cc1cccc(-c2cc(C(=O)O)[nH]n2)c1 81558842 BMAFEVVYEWGVTD-UHFFFAOYSA-N 213.196 1.647 30 50 BDEA C=CCn1nc(CNc2ccc(C)cc2)[nH]c1=O 65364742 RRXHKGSCJUHMLE-UHFFFAOYSA-N 244.298 1.678 30 50 BDEA CC(C)(C#N)n1cc(Br)cn1 575435727 WMUZLSJLUDHWTO-UHFFFAOYSA-N 214.066 1.904 30 50 BDEA C=C[C@@](C)(O)CC(=O)Nc1cccnc1 279129325 BMONHKMVHUDCOY-LLVKDONJSA-N 206.245 1.347 30 50 BDEA C[C@@H](C[C@H]1CCOC1)N=c1ccc(C#N)c(N)[nH]1 594562676 GSWWGTJXXDQCCC-VHSXEESVSA-N 246.314 1.184 30 50 BDEA CC[C@@]1(CO)CCCN(c2cccc(C#N)n2)C1 91270229 CTEZCDRBFBWVFI-CQSZACIVSA-N 245.326 1.942 30 50 BDEA O=C[C@H]1CCCN1C(=O)OCc1ccccc1 16124510 ASNHSGGMNWXBEI-GFCCVEGCSA-N 233.267 1.987 30 50 BDEA in-vitro N#Cc1cccnc1N[C@H]1CCCN2CCC[C@@H]12 1772807156 KWBQVPDQHCIEFH-STQMWFEESA-N 242.326 1.992 30 50 BDEA COCC(C)(C)C(=O)NCC#Cc1cccnc1 1775988400 YZQJPRMOKIFFSS-UHFFFAOYSA-N 246.310 1.222 30 50 BDEA CC(=O)/C=C/C(=O)N1CCC2(CC1)CC2(F)F 1776005993 LLRCWNIVAOPEJL-NSCUHMNNSA-N 243.253 1.779 30 50 BDEA C=C[C@H](C)NC(=O)Nc1cncc(F)c1 336158825 FFBQBEPBONYJGD-ZETCQYMHSA-N 209.224 1.917 30 50 BDEA CC[C@H](C)Cn1c(N)nc(C#N)c1C#N 170592230 ZTOIYQDYCYCCFN-ZETCQYMHSA-N 203.249 1.255 30 50 BDEA CC/C(=N\OC)c1ccc2c(c1)CC(=O)N2C 222114993 LMPTXDYTXGJNLJ-SDNWHVSQSA-N 232.283 1.966 30 50 BDEA O=C(/C=N/O)Nc1cccc(F)c1F 141748690 YMBBUGISGQLGIK-NYYWCZLTSA-N 200.144 1.363 30 50 BDEA C#C[C@@]1(C)CN1n1c(C)nc2ccccc2c1=O 5122026 GBPPCUJFVCFJAK-LBAUFKAWSA-N 239.278 1.048 30 50 BDEA C=C[C@@]12CC[C@H](O)N1[C@@H](C(C)(C)C)OC2=O 261508005 OSMNXSOTZQLTFX-SBMIAAHKSA-N 225.288 1.254 30 50 BDEA in-vitro Cn1ccc2ccc(OC[C@H]3CO3)cc21 1875379502 ROFNRWMBUUTHOF-NSHDSACASA-N 203.241 1.956 30 50 BDEA C=CCNC(=O)CN1CCCC(C)(C)[C@H]1C#N 277829809 RJUWEUGXCQBRFC-LLVKDONJSA-N 235.331 1.303 30 50 BDEA Cc1ccccc1NC(=S)[C@@H](C#N)C(N)=O 2785572 NRHNNRIGAAUEQL-QMMMGPOBSA-N 233.296 1.359 30 50 BDEA Cc1ccnc(N/N=C/c2ccco2)n1 4996234 CLVVRORPZDHZOZ-KPKJPENVSA-N 202.217 1.824 30 50 BDEA CCOC(=O)[C@@H](C#N)c1ccccc1[N+](=O)[O-] 169129 JUGQARWTQZEZRI-VIFPVBQESA-N 234.211 1.765 30 50 BDEA biogenic,in-vitro Oc1cccc(/C=N/N2CCCCC2)c1O 110323 FSGFSLJXMWANGU-UKTHLTGXSA-N 220.272 1.918 30 50 BDEA CCOC(=O)c1ncc(C#N)cc1Cl 43827533 UJGWCVFJCXXNFZ-UHFFFAOYSA-N 210.620 1.783 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@H](/C(N)=N/O)C1 95483678 KCVBHZWEPHUWBW-QMMMGPOBSA-N 243.307 1.380 30 50 BDEA C=C1[C@H](CN)[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 299738111 RJZWRJGLAKZSDZ-AXFHLTTASA-N 238.331 1.899 30 50 BDEA C#CCCOC(=O)c1cccc2[nH]ncc12 727041561 UYSDVTSLUDNHSE-UHFFFAOYSA-N 214.224 1.743 30 50 BDEA N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](F)C2)c1 335454580 ZSRQONPSPMJITQ-DTWKUNHWSA-N 221.235 1.507 30 50 BDEA c1cc([C@@H]2CCOC2)ccc1OC[C@H]1CO1 1875379113 NKEXXRNTNMXBAW-YPMHNXCESA-N 220.268 1.968 30 50 BDEA Cc1nc(N2CCN(CCF)CC2)ccc1C#N 402817542 OYWGGKIHTXPANS-UHFFFAOYSA-N 248.305 1.353 30 50 BDEA C=CCNC(=O)C(=O)Nc1cccc(Cl)c1 2494645 GYYIFNCREMZMSU-UHFFFAOYSA-N 238.674 1.581 30 50 BDEA N#CCCCN1C(=O)c2ccccc2C1=O 1598528 VORDNGFQVIFSBE-UHFFFAOYSA-N 214.224 1.586 30 50 BDEA biogenic,in-vitro O=C[C@@H]1C[C@H](OC(=O)c2ccccc2)C=CO1 43762675 XYLKBGHVRZKRMB-NEPJUHHUSA-N 232.235 1.714 30 50 BDEA Cc1nn(Cc2ccc(C#N)cc2)cc1C(=O)O 80044746 HVLQTKTXQWHECX-UHFFFAOYSA-N 241.250 1.810 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@@]2(CO2)C1 95077819 VCBLXRNFGAAMHH-ZDUSSCGKSA-N 233.267 1.798 30 50 BDEA C[C@@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1 182888610 UPEJIEBJGSRWKD-DGCLKSJQSA-N 244.294 1.541 30 50 BDEA NN=C(C(=NN)c1ccccc1)c1ccccc1 254502170 ZWPOAAKGAFHAEX-UHFFFAOYSA-N 238.294 1.712 30 50 BDEA CC(=O)NC1CN(c2cccc(F)c2C#N)C1 276157761 QWSKRXZPMAKLQW-UHFFFAOYSA-N 233.246 1.022 30 50 BDEA N#Cc1ccccc1Nc1nc(N)nc(Cl)n1 186140 JGBXEPKWFDZPNI-UHFFFAOYSA-N 246.661 1.722 30 50 BDEA C=CC[C@]1(C(=O)Nc2cc[nH]n2)CCCN1 635527728 LEWPPMJJNWXPOP-LLVKDONJSA-N 220.276 1.047 30 50 BDEA CC#CC(=O)NCCCn1nccc1C1CC1 1875376713 GMFZWOPNXJSNBD-UHFFFAOYSA-N 231.299 1.290 30 50 BDEA Cc1ccc2c(c1)C(=O)[C@@H]([N+](=O)[O-])C2=O 139871893 OCJFPAUIRWLATM-QMMMGPOBSA-N 205.169 1.019 30 50 BDEA in-vitro C=CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1 12343873 NXFKUPQUBYOFGJ-DHZHZOJOSA-N 244.250 1.432 30 50 BDEA CN(C(=O)[C@H]1CO1)[C@@H]1C[C@H]1c1ccccc1 1875372897 PERZPVYOKLSJBQ-QJPTWQEYSA-N 217.268 1.400 30 50 BDEA C=CCNC(=O)N1CCC(F)(F)[C@H](C)C1 290667986 OPDGCLQYGLSBFI-MRVPVSSYSA-N 218.247 1.859 30 50 BDEA CC(=O)N/C(C)=C1\C(=O)C[C@H]2[C@H]1C2(C)C 100594997 HBRUIULKBDKADW-XXCJAHOESA-N 207.273 1.642 30 50 BDEA biogenic C=C/C(O)=N/C(C)(C)CCS(C)(=O)=O 328596855 AWTIGHXRZFEGAT-UHFFFAOYSA-N 219.306 1.342 30 50 BDEA COc1cccc([C@@H]2C[C@H](O)CN2CC#N)c1 282217891 OUEQGGZTUAVNAJ-AAEUAGOBSA-N 232.283 1.326 30 50 BDEA CC#CC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 836832078 JFWKLGQZWILCLT-VXGBXAGGSA-N 223.316 1.577 30 50 BDEA C=C(C)C[C@](O)(C(=O)OCC)C(F)(F)F 16159322 OUJRZMYAWPFRSV-QMMMGPOBSA-N 226.194 1.809 30 50 BDEA in-vitro N#Cc1c[nH]c(C(=O)NCc2ccncc2F)c1 1857692771 TWDNKIGRYWBPGU-UHFFFAOYSA-N 244.229 1.350 30 50 BDEA N#CCN(C(=O)[C@H]1CC1(F)F)C1CCCC1 336228216 ZSIILOQOVWABGG-SECBINFHSA-N 228.242 1.936 30 50 BDEA O[C@@H]1C=C[C@@]23C[C@@H]4O[C@@H]4C[C@@]2(C1)C[C@@H]1O[C@@H]1C3 257359360 ZVJFGHAQBXCDEG-YJIVIRPOSA-N 234.295 1.402 30 50 BDEA COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1N 199347031 SCONHACZFQZWPB-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA in-vitro CCC(=O)N1CC[C@H](Nc2cc(C#N)ccn2)C1 585706921 BTWMANOYGYSZAF-NSHDSACASA-N 244.298 1.376 30 50 BDEA Fc1ccccc1OCC#CCN1CCOCC1 16624230 VIFLUCJXNMUYBQ-UHFFFAOYSA-N 249.285 1.540 30 50 BDEA C[C@@H](F)CCOC(=O)c1cc(C#N)c[nH]1 1875255909 NCTZCUFYTLVLOV-SSDOTTSWSA-N 210.208 1.791 30 50 BDEA COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(C)=O 1857524558 APKKCRAKPMSAEI-UHFFFAOYSA-N 249.222 1.740 30 50 BDEA CC(=O)/C=C1/Nc2ccc([N+](=O)[O-])cc2OC1=O 100069035 HXJFOWQJVAPSDE-RUDMXATFSA-N 248.194 1.399 30 50 BDEA CN(C)C/C(=N\O)C(=O)c1ccccc1 25629473 ZHAOQYSEVOYXEU-ZRDIBKRKSA-N 206.245 1.261 30 50 BDEA CCN(/C(O)=N/Cc1ccno1)C(C)C 330899961 NZGYCNONTHDASL-UHFFFAOYSA-N 211.265 1.819 30 50 BDEA N#Cc1ccc(N)c(I)n1 71864155 CSGBAAUMIULLPT-UHFFFAOYSA-N 245.023 1.140 30 50 BDEA C[C@@]12CC[C@@H]3C[C@]1(C#N)N(NC=O)C[C@]32C 244811624 SIAMOYDZPWGQIM-WISYIIOYSA-N 219.288 1.052 30 50 BDEA Cc1ncc(CN2CCC[C@](C)(C#N)C2)[nH]1 670446890 DHCGWWDFEDCTEG-GFCCVEGCSA-N 218.304 1.844 30 50 BDEA C=CCCn1c(C(=O)OCC)csc1=O 128135396 NKXVTJZPXWEOAQ-UHFFFAOYSA-N 227.285 1.663 30 50 BDEA CCCn1c(N)[n+](CC(C)=O)c2ccccc21 5311316 SPZPFODBAQEKEM-UHFFFAOYSA-O 232.307 1.510 30 50 BDEA C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1531428 AOHCBEAZXHZMOR-ZDUSSCGKSA-O 247.318 1.870 30 50 BDEA biogenic,in-man N#Cc1cc(F)ccc1N1CCCOCC1 110877908 MJTZINFVWYAAHU-UHFFFAOYSA-N 220.247 1.924 30 50 BDEA C=CCNC(C)=C1C(=O)CC(C)(C)CC1=O 100319073 ODDWYYKKERDYCA-UHFFFAOYSA-N 221.300 1.994 30 50 BDEA N#CC1(c2ccc(F)cc2)CCNCC1 35287585 RQYTTWXPAPNGEO-UHFFFAOYSA-N 204.248 1.970 30 50 BDEA CCOC(=O)CC(=O)C[C@H]1C(=O)C=C(C)[C@H]1C 45028109 HMNGYYNWYHZVGT-MWLCHTKSSA-N 238.283 1.680 30 50 BDEA N#CCC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 335159689 QSJWIKAEKDJHQV-ZYHUDNBSSA-N 218.231 1.654 30 50 BDEA CN(CC1(CO)CCCC1)c1cc(C#N)ccn1 670441041 BPMZNPLLAIRFPD-UHFFFAOYSA-N 245.326 1.942 30 50 BDEA CN(C)/C(=N/CCCC#N)NCc1ccccc1 170594107 RPMHEXKKAPRNSX-UHFFFAOYSA-N 244.342 1.998 30 50 BDEA O/C(=N/c1nnn[nH]1)C1C2CC3CC(C2)CC1C3 12343422 MVDKOOLABHVERJ-UHFFFAOYSA-N 247.302 1.860 30 50 BDEA O=C([C@H]1CO1)N(CC1CCCCC1)C1CC1 1875372534 HWTPEEUWYZCDSZ-GFCCVEGCSA-N 223.316 1.957 30 50 BDEA O=C(N[C@@H]1CCCCc2ccccc21)[C@@H]1CO1 1875373304 YDJDIGNXTSMRNY-OLZOCXBDSA-N 231.295 1.969 30 50 BDEA c1cc(OC[C@H]2CO2)cc(-n2ccnn2)c1 1875379080 MRKREGNLSXXVDZ-NSHDSACASA-N 217.228 1.045 30 50 BDEA C=CCN1CCN(C(=O)c2ccc(C)o2)CC1 6742093 YTMQOESMNDCBLP-UHFFFAOYSA-N 234.299 1.532 30 50 BDEA COC(C/N=C/c1cccc([N+](=O)[O-])c1)OC 44124038 BONAMSWJKRXUOV-KPKJPENVSA-N 238.243 1.633 30 50 BDEA C=C(CN[C@H](C)c1ccccc1)C(=O)O 232424478 KFXGYWNKHRLYMJ-SNVBAGLBSA-N 205.257 1.978 30 50 BDEA C#CCN/C(=N/C)NCC[C@@H](OCC)C(C)C 170651898 BCUVKECWLYZFER-GFCCVEGCSA-N 239.363 1.236 30 50 BDEA C=CC(=O)N(CC#N)CCC(F)(F)F 1875391455 SWIJPEZBOLTLIW-UHFFFAOYSA-N 206.167 1.477 30 50 BDEA CC#CC(=O)NCCN(C)[C@@H](C)c1ccccn1 1875370522 RXRJIBMRYSVMSE-LBPRGKRZSA-N 245.326 1.214 30 50 BDEA CC1(C#N)CCN(c2cnccn2)CC1 272544368 SEWUVULFMHGZCO-UHFFFAOYSA-N 202.261 1.607 30 50 BDEA CCOC(=O)CCNC1=CC(=O)CC(C)(C)C1 4552368 USABFYMIXMBSOK-UHFFFAOYSA-N 239.315 1.802 30 50 BDEA C#CCNS(=O)(=O)c1ccc2ccccc2c1 2380999 LMNMTWYMLFANQJ-UHFFFAOYSA-N 245.303 1.751 30 50 BDEA Cc1nn(C)c(C)c1N=C(O)c1cnns1 330390225 GEMKJCWKSNANPZ-UHFFFAOYSA-N 237.288 1.525 30 50 BDEA C=C(C)CN(C)C(=O)[C@H]1[C@H](C)C1(F)F 336018616 ZTRUJDPKXKPQFN-JGVFFNPUSA-N 203.232 1.922 30 50 BDEA O=C1C=C[C@@]23C[C@@H]4O[C@@H]4C[C@@]2(C1)C[C@H]1O[C@@H]1C3 257359097 YLAHPFRJAQDBQQ-KLVXDSBYSA-N 232.279 1.611 30 50 BDEA N/C(=N\OC(=O)C1CCCCC1)c1ccncc1 18251040 JNOCFJKSPXZFOI-UHFFFAOYSA-N 247.298 1.825 30 50 BDEA C=CCOc1ccccc1/C=N/NC(N)=S 3636392 GSHZWJCRVYNISZ-MDWZMJQESA-N 235.312 1.419 30 50 BDEA CC(C)(C)CC(=O)O/N=C(\N)c1ccccn1 4351546 SYYARHZLNPPQMA-UHFFFAOYSA-N 235.287 1.681 30 50 BDEA C#C[C@H](OC(=O)c1ccc(C#N)[nH]1)C1CC1 152591052 FJIDBXNXVSGQIN-NSHDSACASA-N 214.224 1.455 30 50 BDEA C#CCN(C)C(=O)CCc1ccncc1 191115966 GEDQWTWVHPCOPF-UHFFFAOYSA-N 202.257 1.106 30 50 BDEA Cc1[nH]c2c(C#N)cnn2c(=O)c1C(C)C 126409148 UHVUUCAAVHIPKM-UHFFFAOYSA-N 216.244 1.326 30 50 BDEA in-vitro C=CCN[C@H](C)c1ccc(-n2cnnn2)cc1 130669698 RKLIXCCTEQPQRW-SNVBAGLBSA-N 229.287 1.499 30 50 BDEA NC(=O)/N=C(\N)Cc1ccc(Cl)c(Cl)c1 4794415 PSUZSLJCOWNJOM-UHFFFAOYSA-N 246.097 1.972 30 50 BDEA CN1C(=O)S[C@H](Cc2ccc(C#N)cc2)C1=O 1390594 YJUDTODRMSCDNZ-SNVBAGLBSA-N 246.291 1.795 30 50 BDEA C=CCNC(=O)[C@@H](C)Oc1ccc(F)cc1 45479838 RERYUIBEDRDPGJ-SECBINFHSA-N 223.247 1.895 30 50 BDEA C#C[C@](C)(CC)NCC12COC(C)(C1)C2 1460134567 IEGVOPYGKXZGRV-PNESKVBLSA-N 207.317 1.947 30 50 BDEA Cc1c(C#N)cnc2nc(-c3ccccc3)nn12 1848442658 DQUSZNRMXJXPJP-UHFFFAOYSA-N 235.250 1.971 30 50 BDEA COP(=O)(C[C@H](CCC#N)CC(=O)O)OC 5915154 HWSUEGNBBNSWBQ-MRVPVSSYSA-N 249.203 1.867 30 50 BDEA Cc1cnc(B(OC(C)C)OC(C)C)s1 208327992 FYRIOAKWAWHYCM-UHFFFAOYSA-N 227.138 1.997 30 50 BDEA CC#CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1875365889 CBDQKFWGXYQQSC-ZDUSSCGKSA-N 242.278 1.073 30 50 BDEA C=CCN(C)C(=O)c1ccn([C@H]2CCCNC2)n1 262370205 LNTCRSUMEQVTIZ-NSHDSACASA-N 248.330 1.066 30 50 BDEA CC[C@@](C)(C#N)C(=O)N1CCO[C@@H](CF)C1 335225095 UUHYPBXCBXQCKC-ONGXEEELSA-N 228.267 1.123 30 50 BDEA C=CCN(C)C(=O)N[C@H]1CC[C@@H](F)C1 336149092 UAEWTZYSWHDPIG-BDAKNGLRSA-N 200.257 1.704 30 50 BDEA CCO/C=C(\C(=O)OCC)C(=O)C(F)(F)F 2510243 XNGGOXOLHQANRB-WAYWQWQTSA-N 240.177 1.601 30 50 BDEA in-vitro N#CCC(=O)Nc1ccc([N+](=O)[O-])cc1 4056635 FIZKBWOSZUORJF-UHFFFAOYSA-N 205.173 1.447 30 50 BDEA in-vitro N#Cc1ccc(N[C@@H]2CCCC[C@@H]2O)cn1 131900567 FFZLGSBCSOGCJZ-NEPJUHHUSA-N 217.272 1.669 30 50 BDEA Oc1ccccc1/C=N/N1CCOCC1 3576199 ZXMHDJXTIBYQCJ-FMIVXFBMSA-N 206.245 1.058 30 50 BDEA CC(C)c1ccc(CCNC(=O)[C@@H]2CO2)cc1 1875373205 WFWHYWVIFRNYQN-ZDUSSCGKSA-N 233.311 1.868 30 50 BDEA NC(=O)[C@H]1O[C@@H]1c1ccc(CC2CCC2)cc1 1776005987 KVAWKTMGRIZDEU-OLZOCXBDSA-N 231.295 1.954 30 50 BDEA CC(C)(C)C(=O)Nc1ncccc1C#CCO 39961285 UPGMOHGJJCWVEC-UHFFFAOYSA-N 232.283 1.410 30 50 BDEA in-vitro CC1(C)OB([C@@H]2COCCO2)OC1(C)C 238175719 LBYNRZXPAOCFGY-QMMMGPOBSA-N 214.070 1.033 30 50 BDEA N#C[C@H]1CN(C(=O)OCc2ccccc2)CCN1 199703322 LDFKVLLZTZZDMJ-LBPRGKRZSA-N 245.282 1.121 30 50 BDEA O=C(O)c1ccccc1/N=C/C[N+](=O)[O-] 100164122 RJUMNVLNDMQVJW-BJMVGYQFSA-N 208.173 1.364 30 50 BDEA in-vitro O=C1C[C@@H](c2ccccc2)CC(=N/O)/C1=N\O 169621098 UFWIQFLJKIESDI-AYGVJVDVSA-N 232.239 1.794 30 50 BDEA CC#CC(=O)N(Cc1cn(CC)nc1C)C1CC1 1875376828 JRRZILLHKIFLKZ-UHFFFAOYSA-N 245.326 1.726 30 50 BDEA Cc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)o1 371325372 DJJUYOCFRILWML-ZDUSSCGKSA-N 245.326 1.760 30 50 BDEA Cc1nc(N(C)Cc2cnccn2)ccc1C#N 488089443 NZIKKNMUKOAUOF-UHFFFAOYSA-N 239.282 1.688 30 50 BDEA C=CCN[C@@H](C)[C@@H]1COc2ccccc2O1 4964897 JTFITJUNSSBSEH-GWCFXTLKSA-N 219.284 1.991 30 50 BDEA N#CCc1ccc(NC(=O)c2ccnnc2)cc1 135206320 NDJIQCIYSUUIAB-UHFFFAOYSA-N 238.250 1.795 30 50 BDEA C#CCCOC(=O)C(C)(C)Br 86032134 MOHWQOXHTWRDGD-UHFFFAOYSA-N 219.078 1.726 30 50 BDEA CCc1c(C#N)c(N)nc(S)c1C#N 13764548 ROBDHYDRYYGIBT-UHFFFAOYSA-N 204.258 1.258 30 50 BDEA N#Cc1nc(C2CCC2)oc1N1CCOCC1 616574773 XQYLKQXIUBSLDE-UHFFFAOYSA-N 233.271 1.650 30 50 BDEA N#Cc1cc2c(nc1C1=CCCNC1)CCC2 1240652714 DERRBXOCBWBISB-UHFFFAOYSA-N 225.295 1.819 30 50 BDEA C=CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2959979 VCLYHEWJGVNZRC-VMPITWQZSA-N 232.239 1.910 30 50 BDEA COC(C/N=C1\COc2ccccc2N1)OC 34295349 GQWADPKYGZVLBV-UHFFFAOYSA-N 236.271 1.508 30 50 BDEA N#Cc1cnn2c(Cl)cc(Cl)nc12 71475520 KDFQVEDUSUYBCO-UHFFFAOYSA-N 213.027 1.908 30 50 BDEA C#Cc1cncc(C(=O)NCCC(C)C)c1 241401134 NBKGSQGWZHOING-UHFFFAOYSA-N 216.284 1.839 30 50 BDEA N#CC1(c2ccc(Br)cn2)CNC1 1775956585 OMMQNUBNOMGRKE-UHFFFAOYSA-N 238.088 1.209 30 50 BDEA N#Cc1c(C#N)c(O)c2ccccc2c1O 155089 JJBQXTABLSZHGC-UHFFFAOYSA-N 210.192 1.994 30 50 BDEA CC(=O)C1=C(O)C(=O)c2occc2C1=O 101369776 ITYREAMSZMEKKK-UHFFFAOYSA-N 206.153 1.060 30 50 BDEA CC1(C)OB(c2csc(C=O)n2)OC1(C)C 170006616 XQXAQADHIJGXCY-UHFFFAOYSA-N 239.105 1.255 30 50 BDEA CC(C)(C)OC(=O)N1CCCC[C@@H]1/C(N)=N/O 40555401 XZCPIKZHYXKFQO-MRVPVSSYSA-N 243.307 1.522 30 50 BDEA CC1(C)OB(c2ccc(F)cc2C#N)OC1(C)C 169747396 IMEIHRCZDURBEC-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro Cc1ccc(C[C@H](C#N)SCC(N)=O)cc1 566219933 NYLGWQNGMGRSSG-LLVKDONJSA-N 234.324 1.648 30 50 BDEA CCOC(=O)C1=C(Nc2ccccc2)OCC1=O 100151309 ODJBFSHHCNDWOS-UHFFFAOYSA-N 247.250 1.473 30 50 BDEA in-vitro C=CCOc1ccc(C(=O)O)cc1OC 4219210 JAQPASQMIRCHIU-UHFFFAOYSA-N 208.213 1.958 30 50 BDEA in-vitro COc1cccc(B2OCC(C)(C)CO2)c1 306377861 MKCVEYYIUNSTFL-UHFFFAOYSA-N 220.077 1.463 30 50 BDEA Cc1cc(/C=N/N2CCN(C)CC2)cc(C)c1O 19771813 UMMLKEDTOOVMOC-XNTDXEJSSA-N 247.342 1.590 30 50 BDEA CCOC(=O)C[N+](C)(C)Cc1ccccc1 4349178 WMRSGVFOEKCJJL-UHFFFAOYSA-N 222.308 1.826 30 50 BDEA CCOc1c(O)ccc(C#N)c1[N+](=O)[O-] 4858384 DAHBQHFSPKWBIA-UHFFFAOYSA-N 208.173 1.571 30 50 BDEA O=C(NO)c1ncc(C(F)(F)F)cc1Cl 1039283 IOYMFPOBWHMORA-UHFFFAOYSA-N 240.568 1.873 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 195895956 WUHMOCPMZNQLGY-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA CN(N)c1ccc(C#N)c(Br)c1 95217829 CAJYCBDLTAKZGP-UHFFFAOYSA-N 226.077 1.631 30 50 BDEA N#Cc1ccnc(-n2cnc(Cl)n2)c1 253407479 JXDACTZFNALPNW-UHFFFAOYSA-N 205.608 1.187 30 50 BDEA C[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H](C2CC2)O1 408515356 YLQGTSAZDQRXTQ-SKDRFNHKSA-N 244.298 1.352 30 50 BDEA CC#CC[C@@H](CO)NC[C@H]1CCSC1 585118515 RUAKIDQKVHBNKY-MNOVXSKESA-N 213.346 1.103 30 50 BDEA CC(=O)C1=CN(C)C(=O)N[C@@H]1c1ccccc1 245391896 NFMSSWGHUAYBGG-GFCCVEGCSA-N 230.267 1.856 30 50 BDEA C=C(C)CN1C(=O)c2ccccc2C1=O 410043 UYKVKZZKIUBBOK-UHFFFAOYSA-N 201.225 1.859 30 50 BDEA C[N+](C)(C)CC(=O)OCc1ccccc1 3106402 GMODHUBUICWGRS-UHFFFAOYSA-N 208.281 1.436 30 50 BDEA C=C(Cl)Cn1ncc(N2CCCC2)cc1=O 23192373 TVJLNKAXODTKRR-UHFFFAOYSA-N 239.706 1.596 30 50 BDEA Cc1c(CNCC2(O)CCCC2)cc(C#N)n1C 134514722 XLZTUFYGHOKEND-UHFFFAOYSA-N 247.342 1.600 30 50 BDEA CN(CCc1cnccn1)[C@H]1CC[C@H](C#N)C1 293710237 DSAFNPKOMSFBDT-AAEUAGOBSA-N 230.315 1.643 30 50 BDEA CC1(C)OB(c2c[nH]nc2C(F)F)OC1(C)C 953061902 FOHCJQLHKNWPQA-UHFFFAOYSA-N 244.050 1.647 30 50 BDEA CC(C)c1ccc(C#N)c(NCC[C@H](O)CO)n1 584886768 OJTWASNXSFDASZ-NSHDSACASA-N 249.314 1.232 30 50 BDEA CC(=O)N[C@](C)(C#N)Cc1ccc(F)cc1 584879942 USCQWAKNYIJAJP-LBPRGKRZSA-N 220.247 1.787 30 50 BDEA C=C(C)CN1CCN(Cc2ncc(C)[nH]2)CC1 952869852 NKQMRINOMDLMFF-UHFFFAOYSA-N 234.347 1.412 30 50 BDEA Cc1cccc(B2OCC(C)(C)CO2)c1 169807403 FPHZOLPTFFTLBD-UHFFFAOYSA-N 204.078 1.763 30 50 BDEA in-vitro C#C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 307442657 AGKAYQWMUSFFPK-JOYOIKCWSA-N 207.273 1.877 30 50 BDEA in-vitro N/N=C(\S)Nc1cccc(Cl)c1 13685566 YUSLJYYTYKWSHL-UHFFFAOYSA-N 201.682 1.911 30 50 BDEA in-vitro C[C@@H]1CCC[C@@H]1Nc1nccc(C#N)n1 231901421 RCPDNYBHQRUPPH-SCZZXKLOSA-N 202.261 1.949 30 50 BDEA COc1ccc(CN2C[C@H](C#N)CC2=O)cc1 11893967 AYIUHYQCJLNMEK-NSHDSACASA-N 230.267 1.567 30 50 BDEA CC(C)(O)C#C[C@H](O)c1cccc([N+](=O)[O-])c1 12381152 MTBHOBUEIOXYRC-NSHDSACASA-N 235.239 1.403 30 50 BDEA C[C@]1(c2cccs2)C[C@@H]1CNC(=O)[C@@H]1CO1 1875372420 FTZYFJFEFADFDE-PTRXPTGYSA-N 237.324 1.541 30 50 BDEA C=CCN1CCN(C(=O)c2ccncc2)CC1 20161001 AXKOQRDAFCBGNS-UHFFFAOYSA-N 231.299 1.025 30 50 BDEA O=C(CS)Nc1cccc(C(=O)O)c1 454078 CFCZEUSSNNHZOJ-UHFFFAOYSA-N 211.242 1.253 30 50 BDEA CCOC(=O)[C@H](C)[C@](C)(C#N)C(=O)OCC 1695185 GBHOITGWOMPVEV-KWQFWETISA-N 227.260 1.279 30 50 BDEA CC1(C)OB(C2=CCCNC2)OC1(C)C 170023230 OWRFJRVFHBJODM-UHFFFAOYSA-N 209.098 1.538 30 50 BDEA N#Cc1cn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O 166407 UTWHPUGRDCGNEG-UHFFFAOYSA-N 247.641 1.051 30 50 BDEA N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 241287066 LJODZCIPDGTQDM-GMTAPVOTSA-N 246.266 1.134 30 50 BDEA C#CCNc1ncnc2c1cnn2C(C)(C)C 159503752 OXRIAJKJXOEXLQ-UHFFFAOYSA-N 229.287 1.626 30 50 BDEA Cc1ccc(C#N)nc1N1CCCO[C@H](C)C1 408518335 BHFKWLFKKUMHCT-LLVKDONJSA-N 231.299 1.877 30 50 BDEA N#Cc1ccc(N[C@H]2CCCC[C@H]2O)cn1 131901180 FFZLGSBCSOGCJZ-NWDGAFQWSA-N 217.272 1.669 30 50 BDEA N#Cc1ccc(CN2CCOCC2)cc1 19309136 BCZLYNFDOJXWGN-UHFFFAOYSA-N 202.257 1.390 30 50 BDEA in-vitro O=C1c2ccccc2C(=O)C1(Cl)[N+](=O)[O-] 2810215 RIZXHLXOTDUKKJ-UHFFFAOYSA-N 225.587 1.277 30 50 BDEA CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)O 116639296 DAKRJQCYDKDOLN-QMMMGPOBSA-N 242.275 1.658 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1ccc(F)cc1O 183913244 LTGLXMLNUKCFJA-VIFPVBQESA-N 236.246 1.953 30 50 BDEA CC1(C)OB(c2ccc(CCO)cc2)OC1(C)C 170025685 JPJTXRVZVGVVSY-UHFFFAOYSA-N 248.131 1.521 30 50 BDEA in-vitro CC#CC(=O)NCc1nc2cnccc2s1 1644486871 LHWOAAMTRDLDNJ-UHFFFAOYSA-N 231.280 1.331 30 50 BDEA CC1(C)OB(c2cc(C#N)ccn2)OC1(C)C 169794643 OVGLWUDRGKKEPK-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA CCC#CCN1CCn2nc([C@@H](C)O)cc2C1 217743040 DTHAJAYRFCMOCP-LLVKDONJSA-N 233.315 1.165 30 50 BDEA C[C@@H]1c2nnc(C3CCCC3)n2CCN1CC#N 376505546 GZZSGDNGDTXKSA-SNVBAGLBSA-N 245.330 1.836 30 50 BDEA C#CCN(C)CCCNC[C@H]1CCSC1 382096251 AJPPMNFNJCJHCB-GFCCVEGCSA-N 226.389 1.284 30 50 BDEA CCOC(=O)c1cnc(/C=N/O)s1 2325791726 YHDDDQMHAGNEFJ-RUDMXATFSA-N 200.219 1.128 30 50 BDEA C#C[C@@]1(C)CCCN1CC(=O)OC(C)(C)C 725239844 IOVIFYGNRCQCJE-ZDUSSCGKSA-N 223.316 1.816 30 50 BDEA N#CC1(NC(=O)OCc2ccccc2)CC1 77028079 OKPPFSCYFICDPU-UHFFFAOYSA-N 216.240 1.969 30 50 BDEA in-vitro O/N=C/Nc1ccc(Br)cn1 95495984 KUIRVDIKMORUFM-UHFFFAOYSA-N 216.038 1.674 30 50 BDEA in-vitro C=C(C)Cn1ccnc1CN1CCOCC1 585122880 FPHOXBCJABVOGW-UHFFFAOYSA-N 221.304 1.291 30 50 BDEA CCOC(=O)/C(=C/c1ccc(O)cc1)C(C)=O 448272 NGAAYIDPOBVPMJ-XYOKQWHBSA-N 234.251 1.928 30 50 BDEA CCNS(=O)(=O)c1ccc(Cl)cc1C#N 156017587 BQRDQLNMPUFQRY-UHFFFAOYSA-N 244.703 1.510 30 50 BDEA O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1CO1 1875372798 MOJHYONHPOXZGX-WCQYABFASA-N 231.295 1.622 30 50 BDEA O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CO1 1875372799 MOJHYONHPOXZGX-YPMHNXCESA-N 231.295 1.622 30 50 BDEA CCC1=NN(C(=O)CC#N)[C@@](O)(C(F)(F)F)C1 4487011 UGNOUERJZGHMBN-QMMMGPOBSA-N 249.192 1.149 30 50 BDEA COC(=O)c1cc([N+](=O)[O-])c(C#N)cc1F 98086061 BWXKIOJKNHOIID-UHFFFAOYSA-N 224.147 1.392 30 50 BDEA COc1ccc2c(c1)NC(=O)C[C@H]2C#N 96300844 KCZDGDWURFYGIW-ZETCQYMHSA-N 202.213 1.645 30 50 BDEA CN(C)/C=C/C(=O)c1cc(O)ccc1O 601189949 WQQUKNFAIHIJOJ-AATRIKPKSA-N 207.229 1.356 30 50 BDEA C#CCN(C)C(=O)Cc1ccc2c(c1)CCC2 191130403 MDVXYQVOXSWBEL-UHFFFAOYSA-N 227.307 1.809 30 50 BDEA N#Cc1ccccc1C[N+]1=C(N)c2ccccc2C1 12340541 AAQXKENJNQTXEG-UHFFFAOYSA-O 248.309 1.990 30 50 BDEA Cc1cc(C)c(C#N)c(N2CCOCC2)n1 19117525 LUTZBWBXBMVIOV-UHFFFAOYSA-N 217.272 1.407 30 50 BDEA Cc1ccc(C#N)c(N2CC(CF)C2)n1 334582695 VRRKCULGLMTFNX-UHFFFAOYSA-N 205.236 1.667 30 50 BDEA C=CCc1cccc2cc(C(N)=O)c(=O)oc12 295701 WXZSUYCHNLGRJH-UHFFFAOYSA-N 229.235 1.620 30 50 BDEA CCOc1ccc2nc(N=C(N)N)nc(C)c2c1 4008855 JGHODIDPXRXPOY-UHFFFAOYSA-N 245.286 1.242 30 50 BDEA C[C@H]1OCC[C@@H]1Nc1cccnc1C#N 134559456 ZDVLDNLAJZYINI-BDAKNGLRSA-N 203.245 1.543 30 50 BDEA CC(C)(C)OC(=O)N1CC/C(=N\O)[C@H](F)C1 306963994 DDCRUWCZTZEPRX-MEEZGBQKSA-N 232.255 1.796 30 50 BDEA C[C@H]1CN([C@H](C#N)c2ccco2)CCO1 238923630 PDADWWPXGAKEOP-VHSXEESVSA-N 206.245 1.565 30 50 BDEA Cc1cc(C)c(C#N)c(NCC(F)(F)CN)n1 162662626 PVFLEZOYFGBKPD-UHFFFAOYSA-N 240.257 1.576 30 50 BDEA O=C1C=C(Cl)C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 239338987 LNRANVGBMBSCMY-DERVNVNRSA-N 208.644 1.699 30 50 BDEA COc1ccc([C@]2(C)O[C@@H]2C#N)cc1OC 380495998 BKULVQXBYQJVMR-NEPJUHHUSA-N 219.240 1.841 30 50 BDEA CCN(CCN1CCCC1)c1cccc(C#N)n1 1529120069 SBWXCSVGODRSBW-UHFFFAOYSA-N 244.342 1.875 30 50 BDEA COC(=O)[C@H](C#N)[C@H]1CCOC(C)(C)C1 670419814 BSWIPSIIGDOSRV-DTWKUNHWSA-N 211.261 1.504 30 50 BDEA CCNc1nc(C)cc(COC)c1C#N 19300813 AFKRJIMQUGNUQS-UHFFFAOYSA-N 205.261 1.840 30 50 BDEA O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CO1 1875372466 GRDKMBWUNGEGGR-UPJWGTAASA-N 231.295 1.838 30 50 BDEA C[C@H](C#N)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 402696747 DUKATVXOTAVDPN-RHYQMDGZSA-N 218.300 1.865 30 50 BDEA Cc1nccn1CC(=O)N1CCC[C@](C)(C#N)C1 670455096 FMPVNYKIURKIDH-CYBMUJFWSA-N 246.314 1.344 30 50 BDEA COc1ccc(C2C(C#N)(C#N)C2(C#N)C#N)cc1 137883 RRNQCBSXGOYEDE-UHFFFAOYSA-N 248.245 1.860 30 50 BDEA CN(Cc1cc(C#N)n(C)c1)C[C@H]1CCOC1 191428393 ZAFASHWZXFPGKD-LLVKDONJSA-N 233.315 1.365 30 50 BDEA COc1ccc([C@H](C)NC(=O)CC#N)cc1 34404904 ULLRLUHVSBEXDY-VIFPVBQESA-N 218.256 1.786 30 50 BDEA in-vitro C/C(=N\NC(N)=S)c1ccc(Cl)cc1 12362587 SIGLNNLOFZKOCC-WUXMJOGZSA-N 227.720 1.897 30 50 BDEA C=CCN1CCN(C(=O)c2ccccc2)CC1 55062627 RIMBUINHOPRHAF-UHFFFAOYSA-N 230.311 1.630 30 50 BDEA Cc1cc(N2C[C@H](F)[C@H](F)C2)c(C#N)cn1 335093147 HSWQBAGCJJPFRG-AOOOYVTPSA-N 223.226 1.758 30 50 BDEA CC(=O)O/N=C/c1cccc([N+](=O)[O-])c1 1386760 AXHFCXXSDCCLOA-UXBLZVDNSA-N 208.173 1.492 30 50 BDEA CC1(C)O[C@H]2C=C(Br)C(=O)C[C@H]2O1 38436788 GMFPUAKVPGTSLG-JGVFFNPUSA-N 247.088 1.758 30 50 BDEA N#Cc1ccc(N2CCC(CO)CC2)c(F)c1 36886686 BJKHPBLNTOEBFD-UHFFFAOYSA-N 234.274 1.906 30 50 BDEA CCN(CC#N)C(=O)[C@H]1CCCO[C@@H]1C 336082601 FTVJBGHZTRVFNS-ZJUUUORDSA-N 210.277 1.174 30 50 BDEA CC1(C)OB(c2ccccc2CN)OC1(C)C 169810444 QHGKJHOITXTFBC-UHFFFAOYSA-N 233.120 1.445 30 50 BDEA in-vitro CC1(C)OB(c2cnc3c(c2)CCN3)OC1(C)C 169988688 PKVWIOHGIGBZAN-UHFFFAOYSA-N 246.119 1.349 30 50 BDEA in-vitro CC#CCn1c(=O)ncn1-c1cc(C)ccc1C 124277468 GBOOBRSHJQMVJW-UHFFFAOYSA-N 241.294 1.674 30 50 BDEA N#Cc1ccc(CN2CCO[C@@H](CF)C2)o1 334866620 YUOUQSDVQYZSQA-NSHDSACASA-N 224.235 1.322 30 50 BDEA CC1(C)OB(c2ccccc2NN)OC1(C)C 170007962 SDCCPICUUPERBM-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA CC(C)C[C@@](C)(C#N)NC(=O)c1cncnc1 354739563 MVPWVBPBFQESPE-LBPRGKRZSA-N 232.287 1.535 30 50 BDEA C[C@@H]1CN(C(=O)NCCC#N)C[C@@H](C2CC2)O1 335881127 GHIKCNMSZWKNMF-KOLCDFICSA-N 237.303 1.109 30 50 BDEA C=CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O 86003083 HAMXQRSEDGZKRF-XFWSIPNHSA-N 223.272 1.036 30 50 BDEA N#Cc1cc(C[C@H]2CCNC2)ccc1F 215216066 QKMDZZLKKQHXLA-SNVBAGLBSA-N 204.248 1.849 30 50 BDEA COc1ccc(/C=N/N2CCOCC2)cc1 434764 KLMQXJSKEKLRTG-JLHYYAGUSA-N 220.272 1.361 30 50 BDEA CN(C)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1388174 LIOPOMJNIUNMRH-BQYQJAHWSA-N 220.228 1.853 30 50 BDEA in-vitro N#CCCN(Cc1csnn1)CC1CC1 119103704 ZXSUMZAWGJZSDB-UHFFFAOYSA-N 222.317 1.664 30 50 BDEA C#CC1(OC[C@H](O)CNC(C)C)CCCCC1 12382632 SYOIRJKDWLVLMS-CYBMUJFWSA-N 239.359 1.698 30 50 BDEA CC1(C)OB(c2ccccc2CCN)OC1(C)C 170005164 LDLZXRIRYOVJFB-UHFFFAOYSA-N 247.147 1.487 30 50 BDEA C=C1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 34733662 CEEDNDKFZGTXOZ-VIFPVBQESA-N 241.287 1.725 30 50 BDEA in-vitro C[C@H]1[C@@H](CO)CCCN1c1ncccc1C#N 591200659 AIUVFEHJSARTQQ-CMPLNLGQSA-N 231.299 1.550 30 50 BDEA O=C(C[N+]12CCN(CC1)CC2)c1ccccc1 5318633 QTNQVHRZHVXYDC-UHFFFAOYSA-N 231.319 1.015 30 50 BDEA N#Cc1ccc(N2CCC(=O)CC2)nc1 19519073 QLKYOINYKWSUIO-UHFFFAOYSA-N 201.229 1.123 30 50 BDEA CC#CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1 1875363171 YNSGLRJXOMZIEZ-UHFFFAOYSA-N 249.314 1.742 30 50 BDEA N#Cc1cnc2sc3ccccc3n2c1=N 187104 YRIBTSMAKJWVNU-UHFFFAOYSA-N 226.264 1.900 30 50 BDEA CCOC=C1C(=O)c2ccccc2C1=O 2562038 QBJNVZNTAUXLHG-UHFFFAOYSA-N 202.209 1.986 30 50 BDEA CC1=C(C(=O)O)C(=O)CN1c1ccccc1 227148989 JCNBFDYETUBFOZ-UHFFFAOYSA-N 217.224 1.434 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1cc(C#N)ccc1O 408514551 QRCMCFZNWRTBJH-JTQLQIEISA-N 243.266 1.686 30 50 BDEA C=C[C@H](C)OC(=O)c1cnn(C)c1-n1cccc1 187510911 BFTLSMAYIUBEAX-JTQLQIEISA-N 245.282 1.942 30 50 BDEA C[C@@H](O)C1CN(c2ccc([N+](=O)[O-])cc2C#N)C1 585092664 ISDQXWLMZATYDD-MRVPVSSYSA-N 247.254 1.283 30 50 BDEA CC1(C)OB([C@H]2CC=CCN2)OC1(C)C 1857787075 DMJSIKPIDVTHIM-SECBINFHSA-N 209.098 1.536 30 50 BDEA C[C@@]1(C/N=C(/O)Nc2ccncn2)CCOC1 331301073 RHVKVGUDBPIYBP-NSHDSACASA-N 236.275 1.229 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 169993769 WWKXCYNPIQEAKJ-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA CCC(F)(F)CN=C1N[C@@H](C)[C@H](C)N1 1776003714 FOCPUFRXWQHLNA-BQBZGAKWSA-N 205.252 1.358 30 50 BDEA C=CCNC(=O)c1ccccc1NC(=O)CC 6702802 SVJOBOJVOJMWBQ-UHFFFAOYSA-N 232.283 1.951 30 50 BDEA O=C1C=C[C@H](OC(=O)c2ccccc2)OC1 34623350 YAUKGDKPHTTWIQ-NSHDSACASA-N 218.208 1.325 30 50 BDEA CC(C)(C)[S@@](=O)N/C=N/CC(F)(F)F 195967595 XLJPZSNYPFXYHP-CQSZACIVSA-N 230.255 1.629 30 50 BDEA C=CC[N@@+]12CCCC[C@@H]1[C@H](CO)CCC2 245310430 JICULMBMGKWYJH-MJBXVCDLSA-N 210.341 1.944 30 50 BDEA biogenic C#CC[C@@H](C)N1C(=O)CN(CC(C)C)C1=O 170592677 WJIAZYNZKQCIAX-SNVBAGLBSA-N 222.288 1.318 30 50 BDEA N#CC1(NC(=O)CCOCC(F)F)CCC1 170611139 GKKBBOVJCVACCP-UHFFFAOYSA-N 232.230 1.221 30 50 BDEA C=CCOC1=NS(=O)(=O)c2ccccc21 2564893 WHHIPMZEDGBUCC-UHFFFAOYSA-N 223.253 1.338 30 50 BDEA in-vitro C/N=C1/S[C@H](Cc2ccccc2)[C@H](O)N1C 4759820 SQWBXSNKPBAHFQ-DDAMBWEPSA-N 236.340 1.581 30 50 BDEA C#CCSc1nnc(-c2ccccc2)c(O)n1 8607227 IYVDBGOPIFHJPC-UHFFFAOYSA-N 243.291 1.970 30 50 BDEA C=CCO[C@@H]1CCN(CCC2OCCO2)C1 125848833 FXCRSWJIZDZFLF-LLVKDONJSA-N 227.304 1.026 30 50 BDEA CS(=O)(=O)n1cc(C#N)c2ccccc21 216942371 ZCTOJGMNQPWCOP-UHFFFAOYSA-N 220.253 1.321 30 50 BDEA CCCn1cc(C(O)=Nc2nc(C)n(C)n2)cn1 330673960 PQKIYWBKLSGFTP-UHFFFAOYSA-N 248.290 1.366 30 50 BDEA C=CCOc1ccc(C(=O)NCCOC)cc1 4841737 VHKPBMCVGFHLBP-UHFFFAOYSA-N 235.283 1.628 30 50 BDEA CC1(C)OB(c2cnc3[nH]ncc3c2)OC1(C)C 169919017 TZNNEHGHACAHPF-UHFFFAOYSA-N 245.091 1.257 30 50 BDEA N#Cc1cccnc1N1CC(NC2CCC2)C1 952995774 YHVOZHATDRGIKC-UHFFFAOYSA-N 228.299 1.284 30 50 BDEA COC(=O)c1ccc(OC[C@@H]2CO2)c(F)c1 1875379439 QKICNLYNMCSPCH-QMMMGPOBSA-N 226.203 1.390 30 50 BDEA CCNC(=S)N/N=C/c1cccc(OC)c1 2521739 SWNHPGRAMPEZLE-MDWZMJQESA-N 237.328 1.513 30 50 BDEA CCOC(=O)/C(=C/NCc1ccccc1)C(C)=O 100311519 PMEVTYCXHKSCTN-JLHYYAGUSA-N 247.294 1.812 30 50 BDEA COc1cccc(CNc2[nH]ncc2C#N)c1O 4344057 GMYJMPWPIZUPMN-UHFFFAOYSA-N 244.254 1.608 30 50 BDEA N#CCN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253099953 VTODMRVSKVQITH-UTUOFQBUSA-N 208.305 1.525 30 50 BDEA Cn1nnc(C/N=C(/O)C[C@@H]2C=CCC2)n1 330207225 FVKZITZHXQOAAJ-MRVPVSSYSA-N 221.264 1.023 30 50 BDEA N#Cc1ccc(-c2cnc(C(=O)O)nc2)s1 675069915 MIWKAVDAIJMHDQ-UHFFFAOYSA-N 231.236 1.775 30 50 BDEA C#CCN(C)CC(=O)NCc1ccc(F)cc1 192220236 UXFUUZODSMESDM-UHFFFAOYSA-N 234.274 1.007 30 50 BDEA Cc1cc(C(=O)N2CCC[C@@H](C#N)C2)nnc1C 1875308904 GXOUQZPVXZZPQM-NSHDSACASA-N 244.298 1.469 30 50 BDEA CC(C)(C)C(=O)[C@@H]1[C@@]2(C#N)C(=N)N=C(O)[C@@]12C#N 208312962 CEAUOTALZQQKAH-LKXWSVAYSA-N 244.254 1.199 30 50 BDEA C#CCNC(=O)c1cc(Cl)ccc1OC 22760496 GMNBYIQFDPEWCG-UHFFFAOYSA-N 223.659 1.712 30 50 BDEA CCSC(=S)N[C@@H]1CC[S@@+](=O)(O)C1 409415407 GMFWWWRXSCJENM-ZCFIWIBFSA-P 240.395 1.359 30 50 BDEA O=[N+]([O-])c1ccc(OC[C@@H]2CO2)c(O)c1 144587449 CTRHKWRKWVRFBW-ZETCQYMHSA-N 211.173 1.078 30 50 BDEA Cc1oc(C#N)cc1C(=O)N1CC[C@@H]([C@H](C)O)C1 408403407 BGABRYHLGBMTDQ-WCBMZHEXSA-N 248.282 1.303 30 50 BDEA C#CCN(C)C(=O)CCc1ccsc1 191130607 OCIYCYFTHUGPSG-UHFFFAOYSA-N 207.298 1.772 30 50 BDEA COC(=O)c1cc(O)c2cccc(C#N)c2n1 34364917 UWUBBAPAMGSTNU-UHFFFAOYSA-N 228.207 1.599 30 50 BDEA in-vitro NC(N)=Nc1cc(Cl)cc(Cl)c1 13858911 PXNBOFBSFXZTES-UHFFFAOYSA-N 204.060 1.898 30 50 BDEA N/C(=N\O)c1c[nH]c2cc(Cl)ccc12 14808192 DWLJGJLTENYVAQ-UHFFFAOYSA-N 209.636 1.916 30 50 BDEA C=CCSc1nc(N)c(C#N)cc1C#N 19537762 NDKFTLUHUKENMG-UHFFFAOYSA-N 216.269 1.685 30 50 BDEA C=CCN(CC(=O)O)C(=O)OC(C)(C)C 21298008 FTLUYABUJZUQON-UHFFFAOYSA-N 215.249 1.494 30 50 BDEA in-vitro CN(Cc1ccnc2ccccc12)C(=O)[C@@H]1CO1 1875372290 BSNAIGXDGIRKHF-ZDUSSCGKSA-N 242.278 1.592 30 50 BDEA C=C(Cl)CSc1n[nH]c(=N)n1C1CC1 330031791 DJIINPHTCTWDCJ-UHFFFAOYSA-N 230.724 1.870 30 50 BDEA COc1ccc(C(=O)C[n+]2ccncc2)cc1 1667429 SOYFTZJQZNKWSM-UHFFFAOYSA-N 229.259 1.261 30 50 BDEA C=CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2966977 MGFHJSIJOSNXPD-UHFFFAOYSA-N 242.256 1.059 30 50 BDEA CO[C@H]1C[C@@H](CO)N(c2ccc(C#N)cc2)C1 310172826 UKBSFOIDDAOISU-STQMWFEESA-N 232.283 1.144 30 50 BDEA N#Cc1ccc(Nc2nccc(=O)[nH]2)cc1 8700471 BBNOJNASJQRRSH-UHFFFAOYSA-N 212.212 1.385 30 50 BDEA in-vitro C[C@@H]1CN(C(=O)NCCC#N)C[C@H](C2CC2)O1 335881128 GHIKCNMSZWKNMF-MWLCHTKSSA-N 237.303 1.109 30 50 BDEA C=CCC(O)(CC=C)[C@H](C)NCc1nccn1C 952960955 PCCFNOVGLMQFPS-LBPRGKRZSA-N 249.358 1.782 30 50 BDEA O=CC(C=O)c1cnc2ccccc2n1 100000521 TWFAHKDFMOBRJS-UHFFFAOYSA-N 200.197 1.111 30 50 BDEA in-vitro C[C@H]1CCCC[C@H]1CN1CC(O)(CC#N)C1 170089708 CGEHHOVCTJXFFN-RYUDHWBXSA-N 222.332 1.773 30 50 BDEA N/C(COc1cccc2ccccc12)=N/O 5669701 YXGUKKZSQSABDK-UHFFFAOYSA-N 216.240 1.965 30 50 BDEA in-vitro C=CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1875375110 RGHBQWDZICABHZ-GFCCVEGCSA-N 230.267 1.236 30 50 BDEA N#Cc1ccc(C(=O)NCC(F)(F)F)o1 335587773 GCFUFJYVOUNSAK-UHFFFAOYSA-N 218.134 1.443 30 50 BDEA N#C[C@]1(c2ccccc2)CCC(=O)N1CCO 618946 GYAYRWGMDFZAEF-ZDUSSCGKSA-N 230.267 1.020 30 50 BDEA N#Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2O3)cn1 247295899 FGMSHLFPZRERPR-IJLUTSLNSA-N 215.256 1.685 30 50 BDEA C=C/C(O)=N/C1(c2ncon2)CCOCC1 328594354 FIHPUXQKGAJMMT-UHFFFAOYSA-N 223.232 1.218 30 50 BDEA COC(=O)c1ccsc1/N=C/N(C)C 5477516 KFUNYBLJEOERSZ-UXBLZVDNSA-N 212.274 1.756 30 50 BDEA CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 221673038 INYGWUFTISSLHX-NFCQPTKZSA-N 208.257 1.361 30 50 BDEA C[C@@H]1C[C@@H](C)N1C(=O)CC1(C#N)CCOCC1 597592487 VRZHQSCMJMEXKQ-GHMZBOCLSA-N 236.315 1.706 30 50 BDEA C=CCC(C(=O)OCC)C(=O)OCC 1648224 GDWAYKGILJJNBB-UHFFFAOYSA-N 200.234 1.305 30 50 BDEA in-vitro NS(=O)(=O)c1ccc(/N=C/c2ccc[nH]2)cc1 288485 RVWRCAGVSNVGKQ-RIYZIHGNSA-N 249.295 1.413 30 50 BDEA COC(=O)C(=O)[C@H](C#N)c1ccccc1Cl 1616324 WFCBJNYCCHZSHP-MRVPVSSYSA-N 237.642 1.689 30 50 BDEA COC(=O)[C@]1(C)O[C@H]1c1ccc2c(c1)OCO2 231226589 NEWFBAYQRLTJTP-CMPLNLGQSA-N 236.223 1.418 30 50 BDEA N/N=C1\C(=O)Nc2c(Br)cccc21 245197920 WCUUOZSMUGFCNP-UHFFFAOYSA-N 240.060 1.064 30 50 BDEA CCCN=C1NC[C@@H](c2ccccc2)N1 2325771368 BDRBACGFXVNNSM-NSHDSACASA-N 203.289 1.687 30 50 BDEA C#CCN(Cc1ccc(C)cc1)C(=O)C#CC 1875363006 HPXLMZXKEWXLCQ-UHFFFAOYSA-N 225.291 1.980 30 50 BDEA C[C@H](c1ccccc1)[C@H](C#N)SCC(N)=O 1875393910 QOESPTJHYYXWQQ-KOLCDFICSA-N 234.324 1.901 30 50 BDEA C[C@H]1NC(=NCc2ccc(F)cc2)N[C@@H]1C 1776003779 GYZAWALOCKAWFY-RKDXNWHRSA-N 221.279 1.652 30 50 BDEA COCCNc1cc(C#N)sc1[N+](=O)[O-] 407113923 KWHJEYHUJGTBEP-UHFFFAOYSA-N 227.245 1.586 30 50 BDEA C#CCNc1ccc(Cl)c(S(C)(=O)=O)c1 309083720 UHBXPNDFINGKEP-UHFFFAOYSA-N 243.715 1.789 30 50 BDEA COc1ccc([C@]2(C)O[C@H]2C#N)cc1F 307081967 PPBGTQTXFMZXAE-QWRGUYRKSA-N 207.204 1.972 30 50 BDEA CC[C@H]1CN(c2cccc(C#N)n2)CC[C@@]1(C)O 67755381 OBUOGOQWZPKEJJ-SMDDNHRTSA-N 245.326 1.941 30 50 BDEA N#CCC1(O)CCN(Cc2ccccc2)CC1 197950062 BJIFRLOUKMIDPW-UHFFFAOYSA-N 230.311 1.927 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C/C(=N/O)[C@@H]4[C@H]3C[C@H]2[C@H]14 245231834 JWHDYBQMUQNNIA-SHRQRCTQSA-N 206.245 1.569 30 50 BDEA ON=C1[C@H]2C[C@H]3C(=NO)[C@@H]4C[C@@H]1[C@H]1[C@@H]2[C@@H]3[C@@H]14 257358444 UMQYUJYCQHPIRM-YOSPVNOZSA-N 218.256 1.425 30 50 BDEA N#CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 298312555 RRSFYTXPKXFCGL-UHFFFAOYSA-N 243.266 1.431 30 50 BDEA CC(C)(C)[C@](C)(O)C#CCN1CCCC1 68633 ARRWQQOLYYCQKF-CYBMUJFWSA-N 209.333 1.883 30 50 BDEA COC[C@@H]1C[C@@H](OC)CN1c1ccc(C#N)cc1 343678208 CPOVLYATCISPOO-UONOGXRCSA-N 246.310 1.798 30 50 BDEA C=CCn1cc([C@@H]2NCCc3[nH]cnc32)c(C)n1 67692150 BTPFARGOYCFUDR-LBPRGKRZSA-N 243.314 1.336 30 50 BDEA COC[C@](C)(C#N)/N=C(/O)c1cc[nH]c1 331215030 NPSAESFBKJENAK-JTQLQIEISA-N 207.233 1.248 30 50 BDEA CC#CC(=O)NCCCn1cnc2ccccc21 278726862 TYJYJLWHMHPHTH-UHFFFAOYSA-N 241.294 1.566 30 50 BDEA Clc1cccc(/C=N/n2cnnc2)c1 4040029 PPOCFLFCIGLMNN-WLRTZDKTSA-N 206.636 1.814 30 50 BDEA C=CCOC(=O)Cn1c(=O)oc2ccccc21 5495013 OBMPCBAACKNLQR-UHFFFAOYSA-N 233.223 1.324 30 50 BDEA CN(C)CCCCCCCCNC(=O)/C=N\O 16671139 JIWZBKHTRLAKFD-KAMYIIQDSA-N 243.351 1.465 30 50 BDEA N#CCSc1nc(N)c(C#N)cc1C#N 18240434 KQVLMTMFFSPBKC-UHFFFAOYSA-N 215.241 1.023 30 50 BDEA CO[C@](C)(CNC(=O)[C@@H]1CO1)c1ccccc1 1875372222 AGDGTHQHMZVTQR-WCQYABFASA-N 235.283 1.063 30 50 BDEA CN(c1cccc(C#N)n1)[C@H]1C[C@@H](C(=O)O)C1 693052723 TYOYWIYPZSEXJM-WAAGHKOSSA-N 231.255 1.253 30 50 BDEA CC1(C)C(=O)NC(=O)[C@@H](C#N)[C@H]1c1ccccc1 4751684 AXFSGAGJHJHOBM-WDEREUQCSA-N 242.278 1.593 30 50 BDEA COc1ccc(OC)c([C@]2(C)O[C@H]2C#N)c1 309495155 KSOMTNLFCACHNE-RYUDHWBXSA-N 219.240 1.841 30 50 BDEA Cc1cccc(N(CCO)CCC#N)c1 1574582 OSNNWHRYDJYFJL-UHFFFAOYSA-N 204.273 1.707 30 50 BDEA CC[C@@H](C#N)NC(=O)c1ccc(O)cc1F 234030620 MGXDPPUOAGSODG-ZETCQYMHSA-N 222.219 1.563 30 50 BDEA CC1(C)OB(c2ccccc2C#N)OC1(C)C 169746023 SKQNWSBNAIOCOC-UHFFFAOYSA-N 229.088 1.857 30 50 BDEA in-vitro O=C(O)/C(O)=C/C(=O)c1ccc(F)cc1 3605214 UMALHHQFQYHFMX-UITAMQMPSA-N 210.160 1.535 30 50 BDEA CC#CC(=O)NCc1ccnn1C1CCCC1 1875379659 SUSFCVRRCBIVBN-UHFFFAOYSA-N 231.299 1.638 30 50 BDEA C(=N/n1ccnn1)\[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2325791756 ILCZOLPRBIUFLP-XNESQXSMSA-N 202.261 1.404 30 50 BDEA COCc1c(N)c(C)nc(Cl)c1C#N 35808 LKJVOGPXZAZBHH-UHFFFAOYSA-N 211.652 1.644 30 50 BDEA Cc1ccc(/C=N/n2cc(C)nc2N)cc1 216961895 HPFFXBXSHAUWMB-VGOFMYFVSA-N 214.272 1.964 30 50 BDEA CCCCCCCC(=O)OC(CO)CO 85809177 NIZDYFWLWAFJLJ-UHFFFAOYSA-N 218.293 1.243 30 50 BDEA N#C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O 169804479 XZYDMOVDIBVPOL-QWHCGFSZSA-N 216.284 1.393 30 50 BDEA C[C@H]1C[C@@H]1c1nc(C#N)c(N2CCOCC2)o1 1775965068 TYRSKDOMUQCVQB-IUCAKERBSA-N 233.271 1.506 30 50 BDEA CC1(C)OB(c2cc(O)ccc2F)OC1(C)C 169951831 GXQGRXFGHPKHTH-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1O 206119224 XDPMAZPUYCEWDV-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA N#Cc1ccc(N)c(I)c1 2526542 UOWVTQFTEAYDLM-UHFFFAOYSA-N 244.035 1.745 30 50 BDEA in-vitro N#Cc1cccnc1N[C@@H]1CCn2nccc2C1 585382151 CKQJEIFONVGKQF-LLVKDONJSA-N 239.282 1.577 30 50 BDEA N#CCN(CC#N)C(=O)c1ccccc1Cl 126141 OGSINZYZKRKSPS-UHFFFAOYSA-N 233.658 1.829 30 50 BDEA CC1(C)OB(c2ccc(C#N)c(N)c2)OC1(C)C 170006135 RBOXRZXIUAJBOD-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA COc1ccc(C(=O)N[C@@H](C)C#N)c(F)c1 125699429 YQDKXOQCTZZBPG-ZETCQYMHSA-N 222.219 1.476 30 50 BDEA COc1cc(C#N)cc(OC[C@@H]2CO2)c1 234970739 YNBJAALQOCKUGK-LLVKDONJSA-N 205.213 1.344 30 50 BDEA CCn1nc(C)c(Br)c1C#N 44125656 BSZNNTQDXVKZEA-UHFFFAOYSA-N 214.066 1.846 30 50 BDEA N#CCN1CCCN(c2ccccn2)CC1 183778843 PLPYNSTWBHZWPK-UHFFFAOYSA-N 216.288 1.117 30 50 BDEA COC(=O)[C@@H](C#N)c1ccc(F)cc1[N+](=O)[O-] 82046484 JXZFDKZJFAHOIK-QMMMGPOBSA-N 238.174 1.514 30 50 BDEA in-vitro C[C@H]1CN(c2ccc(C#N)nn2)C[C@@H](C2CC2)O1 408515354 YLQGTSAZDQRXTQ-CABZTGNLSA-N 244.298 1.352 30 50 BDEA C#CCN(C)C(=O)c1ccc(O)cc1C 234245463 QLWSIBHUQYYPJK-UHFFFAOYSA-N 203.241 1.406 30 50 BDEA C=C1CN(C(=O)NC[C@@H](c2ccco2)N(C)C)C1 952878360 CQUWLUUQWAESND-NSHDSACASA-N 249.314 1.464 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H](C=O)C12CC2 1775954872 RBSXPYZULLWVFN-VIFPVBQESA-N 225.288 1.975 30 50 BDEA CC(C)N(CC#N)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 136418145 IVSNEEOFOIHOQA-SRVKXCTJSA-N 218.300 1.959 30 50 BDEA C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@H](C)C1 336019725 WNHXRVNOZIEPCK-JGVFFNPUSA-N 216.231 1.650 30 50 BDEA N#Cc1nccc(I)c1F 95911229 CLBCNDXLHUIEBW-UHFFFAOYSA-N 247.998 1.697 30 50 BDEA in-vitro N#Cc1ccnc(N[C@H]2CCO[C@@H](C3CC3)C2)n1 295086186 RREUSSWYDPFISV-CMPLNLGQSA-N 244.298 1.718 30 50 BDEA N#C[C@H]([C@@H]1CC=CCC1)N1CCOCC1 20413678 CQZNTLAXGNDCHI-VXGBXAGGSA-N 206.289 1.567 30 50 BDEA CC#CC(=O)N[C@@H](CCN(C)C)c1cccnc1 928831224 MOHYNRZFVIZMMH-ZDUSSCGKSA-N 245.326 1.214 30 50 BDEA CC(C)(C)NC[C@@H](O)COc1ccccc1C#N 104 VCVQSRCYSKKPBA-GFCCVEGCSA-N 248.326 1.686 30 50 BDEA in-man C[C@@H](C#N)NC(=O)c1ccc(O)cc1F 226427034 BUNWEOOLTYRURE-LURJTMIESA-N 208.192 1.173 30 50 BDEA COc1ccc([C@@]2(C)O[C@H]2C#N)c(OC)c1 309510682 TURGEJKDKJHGRW-NWDGAFQWSA-N 219.240 1.841 30 50 BDEA CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)CN(C)C 328631403 QVMDEELBARNVRF-ZYHUDNBSSA-N 228.336 1.566 30 50 BDEA CC(=O)/C(=C/N(C)C)C(=O)OC(C)(C)C 2570338 KJFFPNCTSYAOCU-CLFYSBASSA-N 213.277 1.363 30 50 BDEA N#Cc1ncn(-c2nc(C3CCCC3)ns2)n1 333844222 LXHNGPDAWBXENC-UHFFFAOYSA-N 246.299 1.648 30 50 BDEA CC(C)(C#N)CN=c1ccc(C(F)(F)F)n[nH]1 611617938 VFZREBKGHODPNJ-UHFFFAOYSA-N 244.220 1.879 30 50 BDEA N#Cc1ncc(F)cc1Br 66322836 OLOSREGULYFXDD-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA in-vitro CC1(/N=C(\O)OC(C)(C)C)CC(O)C1 200499085 SWADYQXRAYVLDH-UHFFFAOYSA-N 201.266 1.629 30 50 BDEA C#CC(C)(C)N(C)S(=O)(=O)c1cccs1 192850458 IADOOYOSUVTGPN-UHFFFAOYSA-N 243.353 1.780 30 50 BDEA CC(C)(C)OC(=O)NC12CC(C=O)(C1)C2 238122462 XIUDXZJLBOFVKS-UHFFFAOYSA-N 211.261 1.633 30 50 BDEA in-vitro Cn1c(=O)cc(/C=N/O)c2ccccc21 55175556 DRKPVNLRMQAERW-KPKJPENVSA-N 202.213 1.347 30 50 BDEA biogenic,in-vitro N#C[C@]1(N)CCN(Cc2ccccc2)C1 20596084 COESXKHUIKDTRP-GFCCVEGCSA-N 201.273 1.113 30 50 BDEA CC(=O)C[C@H](C)/N=C(/O)c1ccn(C)c1 330588357 YPKCWFIVDAOPJI-QMMMGPOBSA-N 208.261 1.697 30 50 BDEA N#Cc1ccnc(N[C@@H]2CCO[C@H](C3CC3)C2)n1 295086196 RREUSSWYDPFISV-PWSUYJOCSA-N 244.298 1.718 30 50 BDEA CC1(C)OB(c2cccnc2C#N)OC1(C)C 169745930 CZYZGSPKMBKQBK-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro N#Cc1cc(C(=O)N[C@@H]2CCCOCC2)ccn1 193763499 DWUAISMFAIXFIK-LLVKDONJSA-N 245.282 1.252 30 50 BDEA C=CCC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 12020701 CIBSOCPDQCWHMM-SNVBAGLBSA-N 238.331 1.326 30 50 BDEA C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)O 659229001 MTMSCODJMZQOMS-AOOOYVTPSA-N 223.272 1.561 30 50 BDEA C=CCC(O)(CC=C)CNc1nccc(N)n1 1529161651 NRULSPYUJBOWQW-UHFFFAOYSA-N 234.303 1.354 30 50 BDEA CCc1nnc2ccc(N(C)CCC#N)nn12 610908686 WRBJOMUAMKQHKH-UHFFFAOYSA-N 230.275 1.037 30 50 BDEA COc1ccccc1OCC#CCn1ccnc1 13153160 JDGGBXCBSULEDX-UHFFFAOYSA-N 242.278 1.974 30 50 BDEA Cc1nc(C#N)c(N2CCC(C(=O)O)CC2)o1 19702782 SDPFWQCYDIGLMG-UHFFFAOYSA-N 235.243 1.156 30 50 BDEA in-vitro C=CC[C@H](C)NC(=O)[C@H]1Cc2c(O)cccc2N1 952884222 KRJXKHKBKXGXBK-JOYOIKCWSA-N 246.310 1.810 30 50 BDEA CC#CC(=O)NC[C@H](CO)Cc1ccsc1 1875363010 KRPBQKGESDZXMF-LLVKDONJSA-N 237.324 1.039 30 50 BDEA CC#CC(=O)NC[C@H]1CCCn2cc(C)nc21 1875363257 OZQCFAYFEDIJGO-LLVKDONJSA-N 231.299 1.208 30 50 BDEA C=C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2517015 YDGRSOXTMWVLOJ-NSHDSACASA-N 249.266 1.640 30 50 BDEA N#Cc1ncn(CCc2ccccc2F)n1 336137418 UYRVMLVWHJCRBT-UHFFFAOYSA-N 216.219 1.532 30 50 BDEA Cc1nnc(N(C)Cc2ncc[nH]2)c(C#N)c1C 609839800 UMRJECPIXZGLPB-UHFFFAOYSA-N 242.286 1.325 30 50 BDEA C[C@@H]1CN(C(=O)c2ccccc2)CCN1CC#N 40450044 CEQYZJUTBLWYOG-GFCCVEGCSA-N 243.310 1.356 30 50 BDEA N#CCCn1nc(-c2ccccc2)nc1N 238600851 YPHMDHUEMFBXBQ-UHFFFAOYSA-N 213.244 1.441 30 50 BDEA C=CCNC(=O)COc1ccccc1C 2948739 OLLWSSFNIQURDU-UHFFFAOYSA-N 205.257 1.676 30 50 BDEA C[C@@H](O)[C@H]1CCN(c2ccc(C#N)nc2)C1 165853724 CGMRLXYKUHAGAO-ZJUUUORDSA-N 217.272 1.160 30 50 BDEA Cc1cccc(C)c1NC(=O)C[n+]1ccn(C)c1 5883188 CZHSEWISTFECCI-UHFFFAOYSA-O 244.318 1.568 30 50 BDEA COC(=O)/C(C#N)=N/Nc1ccccc1Cl 5510629 HTBDBXAMHVMIAX-NTEUORMPSA-N 237.646 1.804 30 50 BDEA Cc1ccc(S(=O)(=O)CCC#N)cc1 1715168 UUALZLNCEFPJNN-UHFFFAOYSA-N 209.270 1.682 30 50 BDEA in-vitro OCc1cc(F)c(OC[C@@H]2CO2)c(F)c1 1857780145 OFWKIYIIIKCCAH-ZETCQYMHSA-N 216.183 1.235 30 50 BDEA c1cc(OC[C@H]2CO2)cc(-n2ccnc2)c1 1857779868 ULMMZKQYBGAIDF-LBPRGKRZSA-N 216.240 1.650 30 50 BDEA Cc1nc(C#N)c(C#N)n1C[C@@H]1CCCO1 135479122 VGBFADBCTICMHE-VIFPVBQESA-N 216.244 1.114 30 50 BDEA O=C1C(Cl)=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 229606711 LNRANVGBMBSCMY-XYMMMQBSSA-N 208.644 1.699 30 50 BDEA COc1cccc(CNC(=O)CC#N)c1 38078084 YRUROVCSGZJLIT-UHFFFAOYSA-N 204.229 1.225 30 50 BDEA Cc1ccc([C@H]2CN([C@@H](C)C#N)CCO2)o1 182254668 RDNVEZOYESPRKP-JOYOIKCWSA-N 220.272 1.873 30 50 BDEA O/N=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 257345152 SVFZGSIUSSQSRE-HRMNHIKPSA-N 204.229 1.035 30 50 BDEA CCNc1ccc(C#N)cc1NCCO 195551559 NZTDOGATIORKKC-UHFFFAOYSA-N 205.261 1.394 30 50 BDEA CC#CC(=O)NCc1noc2c1CC(C)(C)CC2 834718608 PQCCKWHLRHIUEV-UHFFFAOYSA-N 246.310 1.829 30 50 BDEA CC#CC(=O)N1CCN(c2ccccc2F)CC1 763902782 RCOLBXVODUNMII-UHFFFAOYSA-N 246.285 1.498 30 50 BDEA C=CCNC(=S)NC(=O)/C=C/c1ccco1 4953549 UETFWWXQICFALF-AATRIKPKSA-N 236.296 1.470 30 50 BDEA CCOC(=O)[C@]12C[C@@H]1C(=NO)c1ccccc1O2 306146347 FXCTZFMSAHZQTR-RNCFNFMXSA-N 247.250 1.579 30 50 BDEA in-vitro C=C[C@@H]1OCC[C@H]1NC(=O)Cc1ccco1 331322074 LCULGJKXSXNWKK-MNOVXSKESA-N 221.256 1.282 30 50 BDEA C=CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 169810200 RHFBKZWRCYFZMG-UHFFFAOYSA-N 234.108 1.368 30 50 BDEA in-vitro CC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccccc1F 52705 OMNLPRSJMBPUKQ-LLVKDONJSA-N 249.241 1.740 30 50 BDEA N#Cc1c(NCC2(F)CCC2)cc[nH]c1=N 2325775396 ANPDQJGEQBHPFQ-UHFFFAOYSA-N 220.251 1.670 30 50 BDEA CC#CC(=O)N(CC#N)CCC(F)(F)F 1875252602 HHXQPSVTBXQLCA-UHFFFAOYSA-N 218.178 1.314 30 50 BDEA COc1ccc2c(O)c(C#N)cnc2c1 39246713 BRANBXSWAAPZNW-UHFFFAOYSA-N 200.197 1.821 30 50 BDEA in-vitro C=CCOS(=O)(=O)c1ccc(C)cc1 2173395 ZSBJCQGJFPHZRC-UHFFFAOYSA-N 212.270 1.886 30 50 BDEA in-vitro C=CCC[C@H](C)N[C@@H]1CCN(C(C)C)C1=O 134931439 MEZKZUNJDONCNA-NWDGAFQWSA-N 224.348 1.940 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cn1 249437591 FHIJOGVXAZKJFO-PWHOCRISSA-N 241.294 1.159 30 50 BDEA C[C@H](O)C[C@@H](C)/N=C(/O)c1ccn(C)c1 330805833 KYIFQKPUCILMLY-BDAKNGLRSA-N 210.277 1.489 30 50 BDEA N#Cc1c(Cl)cc(C(F)(F)F)c[n+]1[O-] 238567002 CNZAIWZKCCBSHM-UHFFFAOYSA-N 222.553 1.864 30 50 BDEA in-vitro C#CCSC(N)=NN=Cc1ccc(F)cc1 252428126 QVFFXHHDTZNEEE-UHFFFAOYSA-N 235.287 1.841 30 50 BDEA N#CCC(=O)NCc1ccc(F)c(F)c1 49578144 FBGRNLMUCCWSNW-UHFFFAOYSA-N 210.183 1.495 30 50 BDEA in-vitro N#Cc1cc(I)ccc1O 2583730 LWXJFPSARBURQS-UHFFFAOYSA-N 245.019 1.868 30 50 BDEA in-vitro N#C[C@@]1(c2ccccc2)CCC(=O)N1CCO 618947 GYAYRWGMDFZAEF-CYBMUJFWSA-N 230.267 1.020 30 50 BDEA COc1ccc([C@H](C#N)C(C#N)C#N)cc1 196488132 YMPLGHMCLVOWGP-LBPRGKRZSA-N 211.224 1.966 30 50 BDEA C=CCNC[C@H]1COc2ccccc2C1=O 96026767 GZLVIVCUBCXGSQ-JTQLQIEISA-N 217.268 1.654 30 50 BDEA N#Cc1cc(Br)ccc1NCCO 134505708 JACIQZIQTFYZJU-UHFFFAOYSA-N 241.088 1.725 30 50 BDEA C[C@@H](O)[C@H]1CCN(c2cnccc2C#N)C1 161854762 AUWLJCJOCQJXFD-KOLCDFICSA-N 217.272 1.160 30 50 BDEA CNC(=S)N(C)/N=C/c1ccc(OC)cc1 164964151 IOGANMXBTZXGGU-MDWZMJQESA-N 237.328 1.465 30 50 BDEA CC#CC(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 1875363245 MSNCJTYAWNTUQB-GFCCVEGCSA-N 245.326 1.461 30 50 BDEA CC#CC(=O)N[C@H]1[C@@H](C#N)CCC12CCOCC2 1875367694 FHEJHWFQYXYEQN-YPMHNXCESA-N 246.310 1.225 30 50 BDEA C#CCCc1cc(O)nc([C@H](C)OCC)n1 1776003688 DPVXZOHYNQSSMY-VIFPVBQESA-N 220.272 1.846 30 50 BDEA CSc1nc(O)c([N+](=O)[O-])cc1C#N 1428573 KVVFAGDGXINNEL-UHFFFAOYSA-N 211.202 1.289 30 50 BDEA N#CCN(C(=O)[C@@H]1CC1(F)F)C1CCCC1 336228217 ZSIILOQOVWABGG-VIFPVBQESA-N 228.242 1.936 30 50 BDEA CC(=O)N[C@](C)(C#N)Cc1ccccc1F 584879939 PSLADMKLNPXUAZ-LBPRGKRZSA-N 220.247 1.787 30 50 BDEA N#Cc1cc(CNCc2cccc(CO)c2)c[nH]1 952977224 PLTINCCBLWLFGK-UHFFFAOYSA-N 241.294 1.668 30 50 BDEA CC(=O)Nc1cncc(C#C[Si](C)(C)C)c1O 169794121 WIFGXFSIJSLBTJ-UHFFFAOYSA-N 248.358 1.975 30 50 BDEA in-vitro CC[C@H](CC#N)NC(=O)Cc1ccc(C)nc1 170595492 ZUDHILQSEXMLCH-GFCCVEGCSA-N 231.299 1.741 30 50 BDEA O=C([C@@H]1CO1)N1CC[C@H]1c1cccc(F)c1 1875373327 YOCKVEIHGRZDIF-QWRGUYRKSA-N 221.231 1.498 30 50 BDEA O=C([C@@H]1CO1)N1COCC[C@H]1c1ccccc1 1875373034 SCHKTNQSKUWMBJ-RYUDHWBXSA-N 233.267 1.333 30 50 BDEA N#Cc1cc(N2CCC[C@@H](F)C2)ccn1 336355500 RRZHZWPGGJRGTP-SECBINFHSA-N 205.236 1.892 30 50 BDEA O=C(COc1ccc(Cl)cc1Cl)NO 265617 YUBQYFJKIYWZBD-UHFFFAOYSA-N 236.054 1.878 30 50 BDEA C=CCNC(=S)Nc1cc(C)ccn1 2275740 YVMMBJRRURFJHG-UHFFFAOYSA-N 207.302 1.862 30 50 BDEA CCOC(=O)[C@@H](C#N)c1ccc(OC)c(OC)c1 2530108 YHESBDUINPOZFB-JTQLQIEISA-N 249.266 1.874 30 50 BDEA COc1cccc([C@H]2C[C@@H](O)CN2CCC#N)c1 225729885 YDHHYLLYJLTCPY-TZMCWYRMSA-N 246.310 1.717 30 50 BDEA COc1cc(N2CCOCC2)ccc1C#N 215597159 QXMLGLOAMFVYRC-UHFFFAOYSA-N 218.256 1.403 30 50 BDEA C[C@H](C#N)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 700361134 XDJOLFSBHBPDNR-YUMQZZPRSA-N 242.275 1.514 30 50 BDEA C[C@H](O)[C@H]1CCN(c2cccnc2C#N)C1 161854215 USNOHTGVWWHIJM-UWVGGRQHSA-N 217.272 1.160 30 50 BDEA N#C/C(=N/OCC1OCCO1)c1ccccc1 12338475 WFVUIONFJOAYPK-KAMYIIQDSA-N 232.239 1.304 30 50 BDEA in-vitro N/C(CC(=O)Nc1ccc(F)cc1F)=N\O 14807974 DOYHIFBORKGZLQ-UHFFFAOYSA-N 229.186 1.040 30 50 BDEA N#Cc1ccc(C(=O)O[C@@H](C#N)C2CC2)[nH]1 154499566 LBGWGWKDRDSUKW-JTQLQIEISA-N 215.212 1.345 30 50 BDEA Cn1ccnc1/C(=N\O)c1ccc([N+](=O)[O-])cc1 4632176 UBFIBGGMSWQPDE-RAXLEYEMSA-N 246.226 1.555 30 50 BDEA N#CCN(CC#N)C(=O)c1cccc(Cl)c1 126186 MCAVEAMXWWEXPR-UHFFFAOYSA-N 233.658 1.829 30 50 BDEA C#CCn1c([C@@H](C)O)nc2ccccc21 1926769 AGAMGSQTBNVJMR-SECBINFHSA-N 200.241 1.723 30 50 BDEA CCOC(=O)COC1=CC(=O)CC(C)(C)C1 4795651 LASWQVHOTADXQP-UHFFFAOYSA-N 226.272 1.839 30 50 BDEA CC(C)(C)OC(=O)N1CCC(=O)[C@H](C#N)C1 33359054 VPFTZTMJPFIRAN-MRVPVSSYSA-N 224.260 1.336 30 50 BDEA CO/N=C/[C@@H](C#N)[C@H]1OC(=O)c2ccccc21 5248309 WYFRJKLUFWTNAF-QMGANUGASA-N 230.223 1.670 30 50 BDEA N#Cc1c(F)cccc1N[C@@H]1C[C@H]1CO 308928928 LLEKZUOGLCPBNB-WRWORJQWSA-N 206.220 1.490 30 50 BDEA C=CCNc1nc(Cl)nc(N(CC)CC)n1 2472687 MGIWKKYMZJSLTI-UHFFFAOYSA-N 241.726 1.969 30 50 BDEA NC(N)=Nc1ccc(Br)cc1F 34936092 XCMLFVHORWEGTR-UHFFFAOYSA-N 232.056 1.493 30 50 BDEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12 252427857 INYGWUFTISSLHX-YOHLKZDQSA-N 208.257 1.361 30 50 BDEA CC1(C)OB(c2ccc(/C=N/O)cc2)OC1(C)C 169975152 CSKICNHBCQCNIQ-OQLLNIDSSA-N 247.103 1.794 30 50 BDEA in-vitro O=C(NCC1(Cc2ccccc2)CCC1)[C@@H]1CO1 1875372866 OBOJUZKDJBVJDC-ZDUSSCGKSA-N 245.322 1.914 30 50 BDEA CC[C@]1(O)CCN(c2cccnc2C#N)C1 575633688 ZKHUPLZFBKOPJF-LBPRGKRZSA-N 217.272 1.304 30 50 BDEA O=C1C=CC(=O)C(c2ccc(O)cc2)=C1 2173669 ZQTOAGFBKREYIO-UHFFFAOYSA-N 200.193 1.484 30 50 BDEA CC#CCOS(=O)(=O)c1ccc(C)cc1 2555331 HGZKJNHJABSJTC-UHFFFAOYSA-N 224.281 1.724 30 50 BDEA CCOc1ccc(N/C=C2/C(=O)CNC2=O)cc1 100306316 UIKWOKOYYNAJKJ-XFFZJAGNSA-N 246.266 1.080 30 50 BDEA C=CCCC(=O)N[C@H](CC(C)(C)F)C(=O)O 196276597 WYIWQFPRFJLFKZ-MRVPVSSYSA-N 231.267 1.660 30 50 BDEA C#CC(C)(C)NC(=O)Cc1c(C)n[nH]c1C 276604828 YMHVOOXQGWEWKP-UHFFFAOYSA-N 219.288 1.097 30 50 BDEA C#CCN(C)C(=O)CCC(=O)c1ccccc1 191060066 KPLXTYRGURPEJF-UHFFFAOYSA-N 229.279 1.741 30 50 BDEA CC(C)(C)OC(=O)NC1(C#CC(=O)O)CC1 1772796207 QFMHBVNKJIYFMA-UHFFFAOYSA-N 225.244 1.132 30 50 BDEA Cc1ccc(/C=N/[C@@H]2CCS(=O)(=O)C2)cc1 1449284 HRSBLCJLZGSLOG-FMNNIJNLSA-N 237.324 1.601 30 50 BDEA CC(C)COCCN1CCC(C#N)CC1 232654168 XQQSIRQUKNJPIM-UHFFFAOYSA-N 210.321 1.895 30 50 BDEA CC[C@H](CO)NCC#Cc1ccccc1 19871712 LTDPAXYPZLABGD-CYBMUJFWSA-N 203.285 1.399 30 50 BDEA Cc1nn(-c2ccc(F)cc2)c(N)c1C#N 14985518 UOLYBVRDNJTPRJ-UHFFFAOYSA-N 216.219 1.774 30 50 BDEA in-vitro CC1(C)Cc2[nH]c(=O)c(C#N)cc2CO1 226334 WIOGEJFYWIFDCQ-UHFFFAOYSA-N 204.229 1.098 30 50 BDEA C[C@H](C#N)NC(=O)OCc1ccccc1 39185927 RKPTZVZVBGXQSI-SECBINFHSA-N 204.229 1.825 30 50 BDEA CC#CCCNC(=O)N1CC[C@](C)(F)C1 335789170 PCDOLBUJUGLQGA-NSHDSACASA-N 212.268 1.543 30 50 BDEA Cc1nccc(C(C)(C)C)c1/C(N)=N\O 72447002 SLNAQBZAIMTCAC-UHFFFAOYSA-N 207.277 1.782 30 50 BDEA CC#CCN[C@@H](COC)c1ccc(C)o1 159673194 RLTSUHFGGUIEOQ-NSHDSACASA-N 207.273 1.888 30 50 BDEA C[C@@H]1COCCN1CC/N=C(/O)c1cc[nH]c1 330688556 UZJGBCANUDEQER-SNVBAGLBSA-N 237.303 1.040 30 50 BDEA c1cc(OC[C@H]2CO2)cc(-n2cncn2)c1 1875379718 VGVWAGYONMVLRB-NSHDSACASA-N 217.228 1.045 30 50 BDEA CC(C)NC(=O)c1ccc(NC(=O)CC#N)cc1 298211599 UZGUBYMGLZOGBU-UHFFFAOYSA-N 245.282 1.677 30 50 BDEA N#Cc1ccc(=NCC2CC(F)(F)C2)[nH]c1 335918555 XFMPCASFKKMCPI-UHFFFAOYSA-N 223.226 1.832 30 50 BDEA CCOC(=O)[C@H](C#N)c1ncccc1[N+](=O)[O-] 209732 MKAXEULUCDDLLB-SSDOTTSWSA-N 235.199 1.160 30 50 BDEA COc1cc(/C=C(/C(C)=O)[N+](=O)[O-])ccc1O 2837243 BSHJAMOPTIPPEH-UITAMQMPSA-N 237.211 1.607 30 50 BDEA C=CCn1nnnc1NCc1ccccc1 4512851 LSOYFRYWEQMLLE-UHFFFAOYSA-N 215.260 1.471 30 50 BDEA Cc1ccc([N+](=O)[O-])c(/C=N\O)c1[N+](=O)[O-] 4764975 IKNYXGVSIZONGY-WTKPLQERSA-N 225.160 1.620 30 50 BDEA CC(C)(C#N)CNC(=O)c1ccccc1CCN 122372638 DYWTVDFBRWZARN-UHFFFAOYSA-N 245.326 1.467 30 50 BDEA N#Cc1ccc(NCC2=COCCO2)cn1 195535372 HKXHUVRVODZIGG-UHFFFAOYSA-N 217.228 1.253 30 50 BDEA C[C@H]1S/C(=N\N=C\c2ccc(O)cc2)NC1=O 5729915 ZAQZHDNVZVNEJI-LFKKQGMHSA-N 249.295 1.334 30 50 BDEA CC1(C)OB(c2cc(F)ncc2F)OC1(C)C 169978281 GTNGEJWJUSJPBO-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA N#CCC(=O)NC[C@@H]1OCCc2ccccc21 107622 JTYJZVCQVJQMQY-LBPRGKRZSA-N 230.267 1.330 30 50 BDEA CCOC(=O)[C@@H](C#N)CC(OCC)OCC 6758501 AHKACZDKUNMFBD-SECBINFHSA-N 229.276 1.478 30 50 BDEA in-vitro COc1cc(C)ccc1NC(=O)/C=N/O 170626200 GMODTBHQFJOLOS-IZZDOVSWSA-N 208.217 1.402 30 50 BDEA COCCCOS(=O)(=O)c1ccc(C)cc1 34079502 HWZUQAKHJDKBOE-UHFFFAOYSA-N 244.312 1.737 30 50 BDEA N#CCCn1nc(-c2cccs2)oc1=O 4109986 ULJYCMJLRCCNQG-UHFFFAOYSA-N 221.241 1.478 30 50 BDEA CN(C)[C@H]1CCCN(c2ccc(C#N)cn2)CC1 72168723 DKJXCJJPPUULKW-ZDUSSCGKSA-N 244.342 1.874 30 50 BDEA Cc1nn(-c2cccc(F)c2)c(N)c1C#N 84192820 GBLKIHMOOVCVNC-UHFFFAOYSA-N 216.219 1.774 30 50 BDEA C#CCN1CCN(CC#C)C2(CCCCC2)C1 170652160 VKRJDFOBKUJOEK-UHFFFAOYSA-N 230.355 1.573 30 50 BDEA O/N=C/c1cc(Br)ccc1O 11884746 YSDJVLAQRCCLPB-RUDMXATFSA-N 216.034 1.963 30 50 BDEA CC/N=C(/S)N1CCCC[C@H]1CO 13519314 RKWFNIPYQROVGF-QMMMGPOBSA-N 202.323 1.139 30 50 BDEA C=CCNS(=O)(=O)Cc1ccccc1F 12343808 YPTZFZRJTRKSKR-UHFFFAOYSA-N 229.276 1.431 30 50 BDEA CN(C)C(=O)C[n+]1csc2ccccc21 3106451 IHZHZVHACUPYSG-UHFFFAOYSA-N 221.305 1.277 30 50 BDEA O=C1CCS[C@H]2SCCC(O)=C12 101022106 KJQHMFAMKQLFEE-MRVPVSSYSA-N 202.300 1.968 30 50 BDEA CC(=O)n1c(N)c(C#N)c2c1CCCC2 3160975 PPPCPXAXJIRZOP-UHFFFAOYSA-N 203.245 1.481 30 50 BDEA CC#CC(=O)NCc1c(CC)nn(C)c1CC 283110612 GUIWOQCVDYHVDV-UHFFFAOYSA-N 233.315 1.184 30 50 BDEA CN1[C@H]2CC[C@H]1CN(c1ccc(C#N)cn1)CC2 245343944 WPHDVDDZTLKMEA-STQMWFEESA-N 242.326 1.626 30 50 BDEA C[C@H]1CN(c2ccc(C#N)cn2)C[C@]1(O)C1CC1 1565525909 JVXRRTKBJUJIKY-IINYFYTJSA-N 243.310 1.550 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C#N)n1C 169936108 IHNFRCFQDGZXRM-UHFFFAOYSA-N 246.119 1.504 30 50 BDEA in-vitro CC(C)c1cc(N2CCC[C@@H](C#N)C2)nc(N)n1 91754686 MHSDMNNXGQVORM-JTQLQIEISA-N 245.330 1.922 30 50 BDEA CC[C@@]12C[C@H]1CN(C(=O)c1ccc(C#N)nc1)C2 1772804940 GZVRWSSLNKRXMC-FZMZJTMJSA-N 241.294 1.825 30 50 BDEA N#CCCCC(=O)N1CCC(c2cnc[nH]2)CC1 330885220 FKTCPDXZEMQVKT-UHFFFAOYSA-N 246.314 1.810 30 50 BDEA C=CCNS(=O)(=O)Cc1ccc(C)cc1 16578945 KGCUSAAJLMGMGJ-UHFFFAOYSA-N 225.313 1.600 30 50 BDEA C=CCNC(=S)NC(=O)c1ccc(F)cc1 2910847 WXQBXQDEMKUGTL-UHFFFAOYSA-N 238.287 1.616 30 50 BDEA COc1ccc(C(=O)/C=C(/O)C(=O)O)cc1 100339750 ORNVKJLDTIFUFH-UXBLZVDNSA-N 222.196 1.404 30 50 BDEA O=C1C=C[C@]23CC=CC(=O)[C@@]2(CC=CC3=O)C1 101051854 RBQUNVQDXTWFMG-UONOGXRCSA-N 228.247 1.546 30 50 BDEA C=C(C)CN(C)C(=O)[C@H]1[C@@H](C)C1(F)F 336018615 ZTRUJDPKXKPQFN-HTQZYQBOSA-N 203.232 1.922 30 50 BDEA C#CC(OCC)(OCC)C(OCC)OCC 96029519 PFYMVPKFTQBRIR-UHFFFAOYSA-N 230.304 1.788 30 50 BDEA O=C1[C@H]2CC[C@@H](C2)[C@H]1[C@]1(O)/C(=N/O)[C@H]2CC[C@H]1C2 257355793 CSDDVTKWNGAZNC-HEDVKMIVSA-N 249.310 1.593 30 50 BDEA CCC#CCN1CCC(CCNC(C)=O)CC1 670445204 BSEABMFRIMAMJV-UHFFFAOYSA-N 236.359 1.638 30 50 BDEA CC(C)(C)OC(=O)N1CC2(C[C@H](C#N)CO2)C1 91304663 BHFLELXWSBJKPH-SECBINFHSA-N 238.287 1.536 30 50 BDEA in-vitro COc1ccccc1C1(C=O)CCOCC1 12359749 PHVVYGPJGWZSGW-UHFFFAOYSA-N 220.268 1.942 30 50 BDEA in-vitro N#C[C@@H]([C@@H]1CC=CCC1)N1CCOCC1 20413677 CQZNTLAXGNDCHI-NEPJUHHUSA-N 206.289 1.567 30 50 BDEA Cc1ccc(/C=N/N=C2/NC(=O)[C@H](C)S2)cc1 8048433 REPACSONFWLYSC-PBJWJZLWSA-N 247.323 1.936 30 50 BDEA CC[C@@H]1CCN/C(=N/CCc2ccoc2)N1 1776003624 BDWKQXUUOORGTO-LLVKDONJSA-N 221.304 1.540 30 50 BDEA CC(C)(C)OC(=O)N1CCO[C@H](CC=O)C1 38530153 XEPDBSLMMIBFBX-SECBINFHSA-N 229.276 1.211 30 50 BDEA in-vitro CC[C@H](CC#N)NC(=O)[C@H]1C[C@H]1C1CC1 242197046 XHJADPWIDDUEOL-VWYCJHECSA-N 206.289 1.841 30 50 BDEA CO[C@H]1CN(C(=O)CCCC#N)CC[C@H]1C 408239012 WLEZAMDYKLYFCH-MNOVXSKESA-N 224.304 1.564 30 50 BDEA Cn1ccc(C#CC(=O)c2ccccc2)n1 752134 UARGEMSQFSJZLG-UHFFFAOYSA-N 210.236 1.655 30 50 BDEA CN(C)/C(N)=N/Cc1ccc(Cl)cc1F 252536213 HWMHAFFRIGHCBR-UHFFFAOYSA-N 229.686 1.855 30 50 BDEA O=C1/C(=C\c2ccco2)N2CCC1CC2 79875 HNLJEHXLQINNQQ-DHZHZOJOSA-N 203.241 1.915 30 50 BDEA CC(C)(CF)NC(=O)c1ccc(C#N)o1 335938937 AEXDNPIBYHDVTB-UHFFFAOYSA-N 210.208 1.629 30 50 BDEA Cc1cccnc1C/N=C(/O)N1CC[C@H](CO)C1 330797337 ARLQFJBPSJXMLR-NSHDSACASA-N 249.314 1.118 30 50 BDEA CCCCCCC[C@@H](O)CCC(N)=O 238230185 QTSYNGDMPSZXFH-SNVBAGLBSA-N 201.310 1.973 30 50 BDEA C[C@@H]1C[C@@H](O)CN1c1ccc(C#N)cc1F 334803467 AJYRKWDFRVMZKB-PSASIEDQSA-N 220.247 1.657 30 50 BDEA C=CCN(CCOC)c1ncnc(N)c1Cl 225491940 GFAHPYCAHOVKEF-UHFFFAOYSA-N 242.710 1.351 30 50 BDEA C=CCC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 307277635 RYVFABKHPULMNH-UHFFFAOYSA-N 241.287 1.884 30 50 BDEA N#Cc1cccc(C#N)c1N1C[C@H](O)C2(CC2)C1 366774449 IUWABGARUBXJJU-LBPRGKRZSA-N 239.278 1.391 30 50 BDEA COC[C@@H]1C[C@H](OC)CN1c1ccc(C#N)cc1 284450690 CPOVLYATCISPOO-KBPBESRZSA-N 246.310 1.798 30 50 BDEA Cc1cnc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)[nH]1 426522955 PQXLIHQJWSKLLQ-QMMMGPOBSA-N 243.270 1.409 30 50 BDEA N#Cc1cc(Cn2ccnn2)ccc1F 334977891 KFXHPCLLIPOEIP-UHFFFAOYSA-N 202.192 1.337 30 50 BDEA N#CCC(=O)Nc1n[nH]c2cc(F)ccc12 335045654 SOVVQVXGQAIORU-UHFFFAOYSA-N 218.191 1.554 30 50 BDEA C#C[C@@H](NC(=O)c1ccncc1F)[C@H]1CCCO1 585139962 ROESVNJFAIGECK-VXGBXAGGSA-N 248.257 1.131 30 50 BDEA C[C@@H]1[C@H]2C[C@@H](C/C2=N/NC(N)=S)C1(C)C 169683695 FFVDDDDYYODYEL-SSMYMOIGSA-N 225.361 1.878 30 50 BDEA CCN/C(N)=N/C(=O)c1cc(Cl)ccc1O 6462981 KKJHPQQJQNKHHG-UHFFFAOYSA-N 241.678 1.110 30 50 BDEA COc1ccc(CC#N)c(OC)c1OC 2528055 RZVUKELRMABJPI-UHFFFAOYSA-N 207.229 1.778 30 50 BDEA in-vitro C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CO2)C1 1875373364 ZEXKHVDPAIUKFL-ZFWWWQNUSA-N 245.322 1.966 30 50 BDEA COC(OC)c1c(/C=N/O)ccnc1Cl 38530310 JTNFUKQAQOCFIE-LFYBBSHMSA-N 230.651 1.835 30 50 BDEA C=CCN[C@H](C)Cn1cc(Br)cn1 130647277 PUPGAGYALRHBOR-MRVPVSSYSA-N 244.136 1.810 30 50 BDEA CN/C=C/C(=O)c1ccccc1[N+](=O)[O-] 43190994 UBKIMLHUGUJNEY-VOTSOKGWSA-N 206.201 1.511 30 50 BDEA Cc1nnc(NC[C@@H](C)CN(C)C)c(C#N)c1C 291815384 KKOBDWQRPADPMD-SECBINFHSA-N 247.346 1.575 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)CCC(=O)O)C1 534670097 BGRZRSJFHIOQAO-NSHDSACASA-N 224.260 1.003 30 50 BDEA CCn1cc(CN(C)CC2(C)COC2)cc1C#N 826773309 JPLWKOHWJHLFOO-UHFFFAOYSA-N 247.342 1.848 30 50 BDEA CC(C)(O)C#C[C@H](O)c1ccccc1F 77191 XVCIDCBYFGOPKQ-NSHDSACASA-N 208.232 1.633 30 50 BDEA N#C[C@H](C(=O)CN1CCCC1)c1ccccc1 3214897 MIQBODALSIZJJE-ZDUSSCGKSA-N 228.295 1.959 30 50 BDEA C=CCC[C@H](C)NC[C@]1(O)CCSC1 134927013 UMKPMUDXHLRZBP-WDEREUQCSA-N 215.362 1.799 30 50 BDEA CC(=O)Nc1ccc(/C=N\OC(C)=O)cc1 25724886 CGWARIMIEYOTLN-GHXNOFRVSA-N 220.228 1.542 30 50 BDEA CC1(C)OB(c2ncc(F)cc2N)OC1(C)C 170006045 AJHFZSLQDQQZSF-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA O=C1C=C[C@]2(CO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2 71786830 QZMWTKATHSHJJI-MFRQRWLDSA-N 214.264 1.723 30 50 BDEA C=CCOc1ccccc1NC(=O)NCCNC 96163478 DTQTUDFYKPKHBJ-UHFFFAOYSA-N 249.314 1.592 30 50 BDEA CC1(C)OB([C@H]2CCCNC2)OC1(C)C 203138562 OMKRUOMSWUJNBY-VIFPVBQESA-N 211.114 1.832 30 50 BDEA Cc1cc(B2OCC(C)(C)CO2)ccc1F 197988079 IONBNTLDYCNOQH-UHFFFAOYSA-N 222.068 1.902 30 50 BDEA O=C(COc1ccc(Cl)cc1)NO 19435664 PDBUPNZIGMKVIC-UHFFFAOYSA-N 201.609 1.224 30 50 BDEA CC1=CC(=O)C(C2=CC(=O)C(C)=CC2=O)=CC1=O 1718621 UKRBOJBKGKKYFW-UHFFFAOYSA-N 242.230 1.035 30 50 BDEA O=C1C=C2CC[C@H]3C[C@H](O)C=C[C@@]2(CC1)C3=O 101140537 DDXUUWFTZLMLRV-PXWWUCIGSA-N 232.279 1.562 30 50 BDEA Cc1ccc(C(=O)NC2(C#N)CCOCC2)cn1 115466484 LZBHUMGURMAFBM-UHFFFAOYSA-N 245.282 1.193 30 50 BDEA CC#CC[C@@H](CO)NC[C@@H]1CCSC1 585118516 RUAKIDQKVHBNKY-QWRGUYRKSA-N 213.346 1.103 30 50 BDEA C=CCOC(=O)Cn1cnc2ccccc21 5495015 BBGHLJIKOZENLN-UHFFFAOYSA-N 216.240 1.766 30 50 BDEA N#CCCn1c(=O)sc2ccccc21 19880460 QVXNXMVVAJDUHI-UHFFFAOYSA-N 204.254 1.977 30 50 BDEA C[n+]1cccc(/C(=N/O)c2ccccc2)c1 100500291 NZNHLIPAQFDTIM-BUHFOSPRSA-O 213.260 1.738 30 50 BDEA CC#CC(=O)NCCc1ccc2c[nH]nc2c1 803562152 HAZYMQKIHIDFPC-UHFFFAOYSA-N 227.267 1.245 30 50 BDEA O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CO1 1875373179 VQAVLOYUOXWXRX-LBPRGKRZSA-N 231.295 1.623 30 50 BDEA C=C1C[C@H]1CNC(=O)c1cc(O)nc(C2CC2)n1 1875302036 XNHILPQIQIPMLT-VIFPVBQESA-N 245.282 1.366 30 50 BDEA CCOC1(CNc2cc[nH]c(=N)c2C#N)CCC1 2325800515 OWHJACLRSANGJB-UHFFFAOYSA-N 246.314 1.737 30 50 BDEA O=C(/C=C/c1ccncc1)c1cc[n+]([O-])cc1 25664558 MAHAWWMCRNKDQQ-OWOJBTEDSA-N 226.235 1.611 30 50 BDEA O/N=C(/c1cccnc1)c1ccc(O)cc1O 32502201 HZURBZXRYDMRDT-OWBHPGMISA-N 230.223 1.719 30 50 BDEA CCCCCCCCNC(=O)CC(=O)O 126011262 HBVNXRIQVTWNJQ-UHFFFAOYSA-N 215.293 1.938 30 50 BDEA O[C@@H]1C=C[C@@]23C[C@@H]4O[C@@H]4C[C@@]2(C1)C[C@H]1O[C@@H]1C3 257359358 ZVJFGHAQBXCDEG-JANNVIMPSA-N 234.295 1.402 30 50 BDEA CCOCCN1CCN([C@@H](C)CC#N)C[C@H]1C 247136657 KQHKEJWOVFHYPY-QWHCGFSZSA-N 239.363 1.331 30 50 BDEA C#C[C@H](N[C@@H]1CC[C@H](C)C1)[C@@H]1CCCO1 170084548 VFBFWHCAKXKXKZ-RNJOBUHISA-N 207.317 1.945 30 50 BDEA Cc1cccc(C)c1NC(=O)C/C(N)=N/O 4865575 FVLYMSBTULCXHQ-UHFFFAOYSA-N 221.260 1.378 30 50 BDEA CNC(=S)N/N=C/c1ccc2c(c1)CCC2 5566397 SSKZTZOOYQMGTL-RIYZIHGNSA-N 233.340 1.603 30 50 BDEA N#CCSc1nnc2[nH]c3ccccc3n12 17946122 FPZKLQYBNTWPNY-UHFFFAOYSA-N 229.268 1.826 30 50 BDEA CCC1=[N+]([O-])[C@](C)(C(C)=O)N(O)C1(C)C 7974777 SBVMGWKYARZAAX-JTQLQIEISA-N 214.265 1.136 30 50 BDEA C=CCN1CCN(C(=O)Cc2ccccc2)CC1 20160936 DGRQBZNAZVTIEG-UHFFFAOYSA-N 244.338 1.559 30 50 BDEA O=C(/C=N/O)CCCCCCN1CCOCC1 20160748 MNERSNSJDXXISQ-ACCUITESSA-N 242.319 1.298 30 50 BDEA CO/N=C/c1c(-c2ccccc2)nn(C)c1O 4084909 LFPHNEQZEHQTQT-MDWZMJQESA-N 231.255 1.773 30 50 BDEA CN(C)CCCOc1ccc(/C=N/O)cc1 11959039 YPYBCXBQMYSANJ-JLHYYAGUSA-N 222.288 1.825 30 50 BDEA N#Cc1ccc(NC(=O)NC[C@H]2CCCO2)cn1 299791691 GFQMKOPZRVNZHI-LLVKDONJSA-N 246.270 1.254 30 50 BDEA CC#CC(=O)NCc1cn(C2CCCC2)nc1C 1875378619 HZVFWAWPHCEVTC-UHFFFAOYSA-N 245.326 1.946 30 50 BDEA O=C1NCCCN1/N=C/[C@H]1CCSC1 2325750020 HDCRZKIOYZKMHY-JMUHATKESA-N 213.306 1.141 30 50 BDEA N#Cc1c(F)cccc1N1CC(CCO)C1 334256133 OSAGEAJHJQONLN-UHFFFAOYSA-N 220.247 1.516 30 50 BDEA C#CCn1c(-c2nonc2N)nc2ccccc21 51485 BKGOWPYQEFOGAO-UHFFFAOYSA-N 239.238 1.302 30 50 BDEA CCSCCCNC(=O)NCCC#N 252478464 AMUNDEUEDOZNHQ-UHFFFAOYSA-N 215.322 1.342 30 50 BDEA C=C/C(O)=N/CC1=CS(=O)(=O)c2ccccc21 328599991 VIPZFHIZPPVLPZ-UHFFFAOYSA-N 249.291 1.957 30 50 BDEA N#C[C@H]1C(=O)NC(=O)[C@H](C#N)C1C1CCCCC1 2187230 WMZXODFFONLYGA-NXEZZACHSA-N 245.282 1.119 30 50 BDEA O=C1C[C@@H](c2ccccc2)CC(=N/O)/C1=N/O 169621099 UFWIQFLJKIESDI-IELXBSFMSA-N 232.239 1.794 30 50 BDEA C[C@H]1C[C@@H](N(C)c2nccc(C#N)n2)CCN1C 297133082 NCOOXKJQOQEDEH-JQWIXIFHSA-N 245.330 1.267 30 50 BDEA CC1=NOC(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1 22204683 HZYPLFZLATZRCW-XFXZXTDPSA-N 248.198 1.295 30 50 BDEA c1cc(OC[C@H]2CO2)ccc1OC[C@H]1CO1 40713 FSYPIGPPWAJCJG-RYUDHWBXSA-N 222.240 1.242 30 50 BDEA CCNC(=S)N/N=C/c1ccccc1 2390769 WFIJEOHXOXINNT-XYOKQWHBSA-N 207.302 1.505 30 50 BDEA C=CCOc1ccc(C(=O)Nn2cnnc2)cc1 4841937 FTJVXWPSQQCIDR-UHFFFAOYSA-N 244.254 1.227 30 50 BDEA CN(C)/C=N/c1c(C#N)cnn1-c1ccccc1 100250519 GZSMAOJCHPIUAN-XNTDXEJSSA-N 239.282 1.965 30 50 BDEA CC#CCN(C)C(=O)N[C@H]1CC[C@H](F)C1 335575280 UMFISEVKZBKQTB-UWVGGRQHSA-N 212.268 1.542 30 50 BDEA Cc1c(CNC[C@H]2CCCOC2)cc(C#N)n1C 132390340 HZVUUTMRAOJMEV-GFCCVEGCSA-N 247.342 1.721 30 50 BDEA C#CCc1ncccc1-c1nc(C#N)c(C#N)[nH]1 328578439 LLVXJBDGPASYMO-UHFFFAOYSA-N 233.234 1.391 30 50 BDEA CCc1ccc(N2C[C@@H](/C(N)=N/O)CC2=O)cc1 221630532 ZMCWMQJZTWZLEV-JTQLQIEISA-N 247.298 1.348 30 50 BDEA CN(CCc1cnccn1)[C@@H]1CC[C@@H](C#N)C1 293710239 DSAFNPKOMSFBDT-DGCLKSJQSA-N 230.315 1.643 30 50 BDEA Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CO2)C1 1875372309 CMBNAPNWQMVMTE-YPMHNXCESA-N 231.295 1.710 30 50 BDEA COC(=O)[C@H](C#N)Cc1ccccc1F 49813648 SRPVOGCOJSGGBW-VIFPVBQESA-N 207.204 1.681 30 50 BDEA in-vitro COC(=O)c1cccc(NCC[C@H](C)O)c1C#N 170603433 KLSDWLUVAUVEIX-VIFPVBQESA-N 248.282 1.528 30 50 BDEA C#CCC(C)(C)COC(=O)CC1OCCCO1 170619591 SCWSXAWFBDFUAZ-UHFFFAOYSA-N 240.299 1.732 30 50 BDEA N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1N 336283 OAPYCPXMCXWPHI-UHFFFAOYSA-N 229.199 1.234 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C#N)C1 33359053 VPFTZTMJPFIRAN-QMMMGPOBSA-N 224.260 1.336 30 50 BDEA C#CCN[C@H](COC)c1ccc(OCC)cc1 284902247 WYUUPPMAJJTJRI-CQSZACIVSA-N 233.311 1.996 30 50 BDEA C[C@H](C#N)n1cc(-c2ccncc2N)cn1 1875330892 HPHNWTFXZCRTFM-MRVPVSSYSA-N 213.244 1.612 30 50 BDEA N#Cc1ncn(Cc2cnc(Cl)s2)n1 86777117 ABZRZZNQHIUHLZ-UHFFFAOYSA-N 225.664 1.308 30 50 BDEA C/C(=N\NC(N)=S)[C@H]1C[C@H]2CC[C@H]1C2 101116595 CNMKSHVOZNSRQB-SMIQASJSSA-N 211.334 1.632 30 50 BDEA C#C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 307198327 AGKAYQWMUSFFPK-SKDRFNHKSA-N 207.273 1.877 30 50 BDEA in-vitro N#Cc1cccc(Cn2ccnc2)c1F 146362617 MNAYMXCPSYJNOO-UHFFFAOYSA-N 201.204 1.942 30 50 BDEA CCOc1c(OC)cc(C#N)cc1C(=O)O 6702984 NPHAUMPOXRYPRA-UHFFFAOYSA-N 221.212 1.664 30 50 BDEA N#Cc1c(N)nc2c(c1C1CC1)C[C@H](N)CC2 71751217 BEKOTGNHGCWUBK-MRVPVSSYSA-N 228.299 1.229 30 50 BDEA CN1C(=O)[C@]2(C)C[C@@](C)(C#N)N2c2ccccc21 252533124 FXIHRMMKOYBUIQ-KBPBESRZSA-N 241.294 1.914 30 50 BDEA O=C(c1ccc(OC[C@H]2CO2)cc1)N1CCCC1 1875378488 DWKCRKBXUTZZNF-ZDUSSCGKSA-N 247.294 1.700 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)[nH]1 203613425 GRGUAFXGRRCERQ-UHFFFAOYSA-N 208.070 1.017 30 50 BDEA C[C@@H](CN1CC(O)(CC#N)C1)c1ccccc1 194754693 LRJBTRNHRNRHIB-LBPRGKRZSA-N 230.311 1.750 30 50 BDEA COC(=O)c1cc([N+](=O)[O-])ccc1C#N 199820931 VWINUIIJHHBLKR-UHFFFAOYSA-N 206.157 1.253 30 50 BDEA Cc1cn(/N=C/c2ccccc2)c(N)n1 5646606 JWPMBZWAQDWVQI-NTUHNPAUSA-N 200.245 1.656 30 50 BDEA N#Cc1c(N)ccn(Cc2ccccc2)c1=O 296747 CSSONWUZPGGDKI-UHFFFAOYSA-N 225.251 1.350 30 50 BDEA N#Cc1cc(F)cnc1Br 198440028 BETGXNHMWBYWJF-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA CN1CCN/C1=N/Nc1ccc2ccccc2n1 96027923 CSWLRTMSNUIIHB-UHFFFAOYSA-N 241.298 1.453 30 50 BDEA CC#CCNC(=O)Nc1ncc(CC)s1 186616581 QIDUSLFFKKGWHQ-UHFFFAOYSA-N 223.301 1.850 30 50 BDEA C=CC[C@@H](C)NC(=O)Nc1ccnn1C 170599690 DAAMXZXENMATKI-MRVPVSSYSA-N 208.265 1.506 30 50 BDEA Cc1cc(CN)ccc1B1OC(C)(C)C(C)(C)O1 170003824 STIGNHHIKXQVKE-UHFFFAOYSA-N 247.147 1.753 30 50 BDEA CC#CCN1CCC[C@H]1CN(C(C)=O)C1CC1 328638951 PGRAOEUJWGZIGL-AWEZNQCLSA-N 234.343 1.485 30 50 BDEA C[C@H]1[C@@H](/N=C(/O)CC2CC2)CCS1(=O)=O 329100061 DJNSKPHJVVAZEG-CBAPKCEASA-N 231.317 1.319 30 50 BDEA N#Cc1ncn(CC[C@H]2CCCO2)c1C#N 156290958 WKOSEMBJPYTAMP-SECBINFHSA-N 216.244 1.196 30 50 BDEA C=C1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(C)C 43214642 QWMYRPDDYHEJES-JTQLQIEISA-N 240.299 1.941 30 50 BDEA CCc1cccc(CO)c1OC[C@@H]1CO1 1875389770 KZISBPBKVCZZCH-NSHDSACASA-N 208.257 1.519 30 50 BDEA N#CCC1(Cn2cc(C3CC3)nn2)CC1 594653343 ZSXNADMGLIEVNZ-UHFFFAOYSA-N 202.261 1.849 30 50 BDEA CCc1csc(CNc2nccnc2C#N)n1 32565419 UZFUGEFFASGSMT-UHFFFAOYSA-N 245.311 1.979 30 50 BDEA Cc1cc(C)nc(N=C2N[C@H]3CCCC[C@@H]3N2)n1 6922203 KIPAFZNQLYQZBG-QWRGUYRKSA-N 245.330 1.585 30 50 BDEA C#CCN(CC#N)C(=O)c1ccc(F)c(F)c1 225563986 VXZVQAXXALXEDS-UHFFFAOYSA-N 234.205 1.564 30 50 BDEA CC1(C)OB(c2cnc(C3CC3)o2)OC1(C)C 307620994 BKPBHAYPDJQEPC-UHFFFAOYSA-N 235.092 1.851 30 50 BDEA N#C[C@@]1(N)CCN(Cc2ccccc2)C1 20596085 COESXKHUIKDTRP-LBPRGKRZSA-N 201.273 1.113 30 50 BDEA COCC1(/C(O)=N/[C@@H]2C=C[C@H](CO)C2)CCC1 328825207 RUQOEPOHJCMCCC-WDEREUQCSA-N 239.315 1.697 30 50 BDEA C[C@H]1C[C@]1(C#N)C(=O)Nc1cncc(F)c1 334813107 XKPWKGKUYNWBGY-WRWORJQWSA-N 219.219 1.709 30 50 BDEA Oc1cnnc(N/N=C/c2ccc(F)cc2)n1 3901913 IWXVAICVSXYJKA-LFYBBSHMSA-N 233.206 1.162 30 50 BDEA C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)nc1O 2325771226 KTDFUAZJMYWOSF-DTORHVGOSA-N 245.282 1.672 30 50 BDEA C=C1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 2386287 ULLGRIBXGPATMA-MRVPVSSYSA-N 227.260 1.637 30 50 BDEA C=C(CC)Cn1cc(S(=O)(=O)N(C)C)cn1 330647326 HRBLUALTZSBZEB-UHFFFAOYSA-N 243.332 1.100 30 50 BDEA Cc1cc(C#N)cc(C)c1OCc1nnn(C)n1 235756860 MYYSJFWPCFRMMI-UHFFFAOYSA-N 243.270 1.278 30 50 BDEA Cc1ccnc(NC(=O)c2cc(C#N)oc2C)n1 242302425 YSMLOLRJWJGNOF-UHFFFAOYSA-N 242.238 1.810 30 50 BDEA CC(C)[C@](C)(O)C(=O)OCC#Cc1ccccc1 791448198 UMOIIYMUGYLKQA-HNNXBMFYSA-N 246.306 1.988 30 50 BDEA Cc1cc(C)nc(N=C2N[C@H]3CCCC[C@H]3N2)n1 13153390 KIPAFZNQLYQZBG-PHIMTYICSA-N 245.330 1.585 30 50 BDEA C=C[C@@H](C)NC(=O)c1ccnc(C2CC2)n1 331429108 GCQQMBRNVRWFHZ-MRVPVSSYSA-N 217.272 1.658 30 50 BDEA C[C@]1(O)C[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 334885097 DIJYMZMWYWGJEV-BJHJDKERSA-N 245.282 1.593 30 50 BDEA C=C1[C@H]2[C@H]3C[C@H](C)[C@@]1(C)CC[C@@]2(CO)C(=O)O3 216486043 LGVRUXHWICRLFE-XTICLGABSA-N 236.311 1.903 30 50 BDEA Cc1[nH]c2ccccc2c1/C=N/n1cncn1 248324 OCYZIEXNDVLVMU-MKMNVTDBSA-N 225.255 1.950 30 50 BDEA C[C@H]1CN(c2cc(C#N)ncn2)C[C@@H](C2CC2)O1 328595661 ZXOYYNXLFAWRDD-CABZTGNLSA-N 244.298 1.352 30 50 BDEA C#CCN(Cc1nnc(Cl)s1)C1CC1 2325885545 VPQXGJHDFWKXIE-UHFFFAOYSA-N 227.720 1.789 30 50 BDEA Cc1cc(C#N)c(NCC2(CO)CC2)nc1C 534672291 HYFNMKSBZZOHQH-UHFFFAOYSA-N 231.299 1.755 30 50 BDEA CC(=O)N[C@](C)(C#N)Cc1ccccc1 6692572 JNZYCZFKIRTRDW-LBPRGKRZSA-N 202.257 1.647 30 50 BDEA CNC(=O)O/N=C(/C[S@](C)=O)C(C)(C)C 25721557 NLMRMVVMKCKWFL-OCOPJHETSA-N 234.321 1.123 30 50 BDEA N#Cc1ccc(O[C@H]2CCCNC2)cc1F 85223912 BRTDLDNCKGWBSU-NSHDSACASA-N 220.247 1.828 30 50 BDEA CNC(=O)c1ccc(NC(C)(C)C#N)cc1F 95828748 FUBVMSRDTICINT-UHFFFAOYSA-N 235.262 1.899 30 50 BDEA COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C 201903065 MHWWFGMASJPHHQ-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA Cc1nonc1CC(=O)N1CCC[C@@](C)(C#N)C1 584891139 DKMOGPLOQFYUGW-LBPRGKRZSA-N 248.286 1.073 30 50 BDEA C=C(C)CN(CC(=O)OC)C1CCCC1 167613918 GRRGLAHTLQHVDA-UHFFFAOYSA-N 211.305 1.980 30 50 BDEA Cc1ccc(C#N)c(N[C@H]2C[C@@](C)(O)C2)n1 591369422 MCVNANRBLNXLKZ-KLPPZKSPSA-N 217.272 1.587 30 50 BDEA CC(C)N1CC(=O)C(c2ccccc2)=C1N 3182756 JUUYYDOKALZXFG-UHFFFAOYSA-N 216.284 1.607 30 50 BDEA O/N=C1\CCCc2nnc3c(c21)CCCC3 100051076 TVZHVEVFGFUYLP-RVDMUPIBSA-N 217.272 1.870 30 50 BDEA N#CCC(=O)NC1CCN(CC2CCCC2)CC1 154033665 XBJPPSVCHDNTLG-UHFFFAOYSA-N 249.358 1.671 30 50 BDEA C=CCOn1c(=O)ccc2ccccc21 45069181 IFPKYZDAXHXECX-UHFFFAOYSA-N 201.225 1.616 30 50 BDEA CC1(C)OB(c2ccccc2NC=O)OC1(C)C 169809906 GXTTWKFHLLCWMJ-UHFFFAOYSA-N 247.103 1.554 30 50 BDEA N#Cc1cnn(-c2ccc(F)cc2)c1N 57696 SZEJYPAPBGNEMH-UHFFFAOYSA-N 202.192 1.465 30 50 BDEA in-vitro CC1(C)OB([C@@H]2C[C@H]2C(=O)O)OC1(C)C 307155055 VJJABIMANCDOSQ-RNFRBKRXSA-N 212.054 1.553 30 50 BDEA CC(C)(C)OC(=O)NCc1ccnc(C#N)c1 35269646 RVMVGHFPBFHBTD-UHFFFAOYSA-N 233.271 1.978 30 50 BDEA C=CCC[C@H](C)N[C@@H](C)C(=O)N1CCOCC1 130582472 AIBVYOIAJFLUIT-RYUDHWBXSA-N 240.347 1.178 30 50 BDEA CC(C)(C)O/C(O)=N/[C@H]1CCC(=O)O1 328578870 YIKQPWXXCAOTKY-ZCFIWIBFSA-N 201.222 1.379 30 50 BDEA CC1(C)OB(c2c[nH]c3ncccc23)OC1(C)C 169984265 UDWFQODVYQOMET-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA CC[C@@H](C)n1ncc(N=C(O)c2cnn[nH]2)c1C 331107032 GWYWXANQHMGYLS-SSDOTTSWSA-N 248.290 1.917 30 50 BDEA N#CCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 334151862 LMJFMLBDJQFPGV-OLZOCXBDSA-N 234.274 1.847 30 50 BDEA C[C@@H]1O[C@H]1C(=O)N1CCOc2ccccc2C1 2325892868 LSSQUVXWUHERIN-JOYOIKCWSA-N 233.267 1.195 30 50 BDEA CCOC(=O)C1(C#N)Cc2ccccc2C1 1698838 ACZZMTFXNCKOIK-UHFFFAOYSA-N 215.252 1.858 30 50 BDEA CC(NC#N)=C1C(=O)c2ccccc2C1=O 2738819 SROJJXNADDTCQS-UHFFFAOYSA-N 212.208 1.410 30 50 BDEA O=C1/C(=N/O)Sc2nc3ccccc3n21 6646146 AUSIEZHJGMQEMW-XFFZJAGNSA-N 219.225 1.570 30 50 BDEA Cc1nnnn1CC#Cc1ccc(F)cc1 135311601 WRRRFTSJYRBZMC-UHFFFAOYSA-N 216.219 1.172 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 169745774 WZHOBXRNVCZJGB-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA in-vitro CC(=O)Nc1ccccc1OC[C@@H]1CO1 164789 SENIMHNFLVMDJV-VIFPVBQESA-N 207.229 1.423 30 50 BDEA in-vitro c1cc(OC[C@@H]2CO2)cc(OC[C@H]2CO2)c1 12359983 WPYCRFCQABTEKC-TXEJJXNPSA-N 222.240 1.242 30 50 BDEA in-vitro COc1ccc(/C(C)=N/NC(N)=S)cc1 5005072 JPXKIPVPEBSPLT-KPKJPENVSA-N 223.301 1.252 30 50 BDEA in-vivo C=CCNC(=S)N/N=C/c1ccc(O)cc1 2606309 BSLURLFFMJZNEN-MDWZMJQESA-N 235.312 1.376 30 50 BDEA COC(=O)c1ccc(C#N)c([N+](=O)[O-])c1 139658540 PSZYWMHNXWCCLS-UHFFFAOYSA-N 206.157 1.253 30 50 BDEA C[C@H]1C[C@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1 952892550 OKTZWYKMODVIDX-TVQRCGJNSA-N 244.298 1.234 30 50 BDEA C=CC[C@H](C)NC(=O)[C@@H]1Cc2c(O)cccc2N1 952884220 KRJXKHKBKXGXBK-CABZTGNLSA-N 246.310 1.810 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@H]1c1ccccc1 1875372785 MNPDUZZHIAMZLF-NWDGAFQWSA-N 217.268 1.749 30 50 BDEA CC#CC(=O)NC[C@@H]1OCCc2ccsc21 1875378441 DAMXCZGNKWMAGT-JTQLQIEISA-N 235.308 1.501 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1cnc2[nH]cncc1-2 1775987989 ODMCZRJTNDPQRE-QMMMGPOBSA-N 243.270 1.332 30 50 BDEA C=CC(=O)N1CCc2c(C#N)cccc2C1 1776007341 XXCSMXKXZVKLIK-UHFFFAOYSA-N 212.252 1.629 30 50 BDEA Cc1cccc(N(CCC(N)=O)C(=O)CC#N)c1 273890930 BESHHLKCIKAIKI-UHFFFAOYSA-N 245.282 1.117 30 50 BDEA Cc1cnccc1B1OC(C)(C)C(C)(C)O1 169747218 MMCGEOWPLNVYGO-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA NC(=S)N/N=C/c1c[nH]nc1-c1ccccc1 6493992 CNUFVDRGRFSWEU-VGOFMYFVSA-N 245.311 1.244 30 50 BDEA C=CCc1cc(C[C@@](C)(N)C(=O)O)ccc1O 71774330 RXYLCSLPFGMSKZ-CYBMUJFWSA-N 235.283 1.465 30 50 BDEA N#CC1CN(C(=O)OCc2ccccc2)C1 39952164 OWGOVPJMOBRPON-UHFFFAOYSA-N 216.240 1.779 30 50 BDEA in-vitro N#CCNC(=O)[C@H]1C[C@]1(F)c1ccccc1 334806878 BSLUYDHPRHMPIP-PWSUYJOCSA-N 218.231 1.511 30 50 BDEA Cc1cccc(N2C[C@H](/C(N)=N/O)CC2=O)c1 221629369 GFIHENZMCDVFIU-SECBINFHSA-N 233.271 1.094 30 50 BDEA O=[N+]([O-])c1ccc(OC[C@H]2CO2)c(O)c1 144587642 CTRHKWRKWVRFBW-SSDOTTSWSA-N 211.173 1.078 30 50 BDEA CCOC(=O)/C(O)=C/C(=O)c1ccco1 95470222 SZUCOPVRWOIJKL-VURMDHGXSA-N 210.185 1.467 30 50 BDEA CC1(C)OB(C=C2CCNCC2)OC1(C)C 205971484 LKBLOFBYILPVKQ-UHFFFAOYSA-N 223.125 1.928 30 50 BDEA CS(=O)(=O)OCCc1ccccc1Cl 167825680 ZNHIBZIUMHTTKD-UHFFFAOYSA-N 234.704 1.859 30 50 BDEA in-vitro Cc1ccc([C@@H]2CN([C@H](C)C#N)CCO2)o1 248464414 RDNVEZOYESPRKP-SKDRFNHKSA-N 220.272 1.873 30 50 BDEA N#CC1(NC(=O)c2ccnnc2)CCCC1 135471393 JZGZEVBOXHRKJP-UHFFFAOYSA-N 216.244 1.043 30 50 BDEA C=CCN1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 5016183 KTONYTBRRCJAMP-LLVKDONJSA-N 248.257 1.551 30 50 BDEA CC1(C)OB(c2cnn3c2CCCC3)OC1(C)C 169810241 CGAYURSTZWQWLD-UHFFFAOYSA-N 248.135 1.519 30 50 BDEA CC1(C)OB(c2cnccc2O)OC1(C)C 169992964 CBTQFHBTLKCIGI-UHFFFAOYSA-N 221.065 1.086 30 50 BDEA C=CCNC(=O)c1ccc(OC)c(OC)c1 1855591 DISIZJPNVAUNCI-UHFFFAOYSA-N 221.256 1.620 30 50 BDEA C[C@@H]1C[C@H]1N/C(O)=N/Cc1noc(C2CC2)n1 328940709 SPHIKPLKSNJGFA-HTRCEHHLSA-N 236.275 1.359 30 50 BDEA C#CCCCOc1ncccc1C(=N)N 263623479 HUEWZUUKQBIAMM-UHFFFAOYSA-N 203.245 1.158 30 50 BDEA CC#CC(=O)NCCc1nnc(C(C)C)s1 1875365051 LMUVRNDJGGKUGZ-UHFFFAOYSA-N 237.328 1.344 30 50 BDEA CC#CC(=O)N(Cc1c(C)noc1C)C1CC1 1875363170 YESXVTNYDOJLDU-UHFFFAOYSA-N 232.283 1.806 30 50 BDEA C[C@@H]1CC(C)(C)OB(c2cccc(C#N)c2)O1 169808874 HSTJHADZDZUIFL-SNVBAGLBSA-N 229.088 1.857 30 50 BDEA in-vitro Cn1nccc1[C@H]1Nc2ccccc2C(=O)N1O 5598852 KWFPTSOBUYBTRM-NSHDSACASA-N 244.254 1.376 30 50 BDEA N#Cc1ncn(Cc2ccccc2F)c1C#N 156283243 XMPWIBJFGGIOHL-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 335688339 JPMSBMLZCCWUNI-NWDGAFQWSA-N 222.288 1.460 30 50 BDEA Cc1cnccc1CC(=O)N[C@H](C#N)C(C)(C)C 292153416 VMZLZEYVGSZCTL-GFCCVEGCSA-N 245.326 1.987 30 50 BDEA C[C@@H](c1ccccc1)[C@H](C#N)SCC(N)=O 1875393912 QOESPTJHYYXWQQ-ONGXEEELSA-N 234.324 1.901 30 50 BDEA CC[C@H](CC#N)NCc1cn(C(C)(C)C)nn1 189953586 RWDZYLBYJRWEMM-SNVBAGLBSA-N 235.335 1.815 30 50 BDEA Cc1nnc(C)n1/N=C\c1cccc(O)c1 5034513 IZHPNYOASSSBIR-GHXNOFRVSA-N 216.244 1.483 30 50 BDEA CN/C(N)=N\c1nc(C)c2cc(OC)ccc2n1 13475952 JUEQNUBCSZGNAT-UHFFFAOYSA-N 245.286 1.112 30 50 BDEA CC(C)(C)[C@](C)(O)C#CCN1CCOCC1 19595327 BSMJFAQZGXEFJC-CYBMUJFWSA-N 225.332 1.119 30 50 BDEA COC1=CC(=O)[C@]2(C)CC=CC[C@H]2C1=O 1604431 BWRSBDNPEDAAMK-QPUJVOFHSA-N 206.241 1.641 30 50 BDEA C=CCNC(=O)COc1ccc(C)cc1 1808064 WPFPCYZIOQUNLT-UHFFFAOYSA-N 205.257 1.676 30 50 BDEA C=CCNC(=O)C(=O)NC[C@@H](CC)CCCC 2994187 HTMXLGVOQFWPNT-NSHDSACASA-N 240.347 1.621 30 50 BDEA C=CCNC(=S)NCc1cccnc1 2995486 NPMOMRBZYRJGKA-UHFFFAOYSA-N 207.302 1.232 30 50 BDEA N/C(=N\C(=O)c1ccccc1)N1CCCC1 64864414 WUUKIFPZWFWSBN-UHFFFAOYSA-N 217.272 1.237 30 50 BDEA CNC(=S)Nc1ccc(C)c(C#N)c1 40103 CLDNZFYJAOICRU-UHFFFAOYSA-N 205.286 1.783 30 50 BDEA CCCCC/N=C(/O)c1c(CO)noc1C 328599451 SDTDHANRHPEEQD-UHFFFAOYSA-N 226.276 1.970 30 50 BDEA CC#CC(=O)N[C@@H](C#N)c1ccccc1OC 1875252597 ZWIJQQZUOYOXKF-NSHDSACASA-N 228.251 1.399 30 50 BDEA C=C(C)CCN1CCO[C@H](CC(=O)OC)C1 160205555 TXLXVFWZAXIMOE-LLVKDONJSA-N 227.304 1.217 30 50 BDEA CCOC(=O)[C@@H]1CCc2sc(N)c(C#N)c21 4197944 RYXYACUFYJOZQH-ZCFIWIBFSA-N 236.296 1.795 30 50 BDEA COc1ccc(CCC(=O)NCC#N)cc1 6702186 FZNIIIKIQHRDOB-UHFFFAOYSA-N 218.256 1.268 30 50 BDEA CC#CC(=O)NC[C@@]1(C)OCCc2ccccc21 921833191 FWNOOAYBDMYKNE-OAHLLOKOSA-N 243.306 1.614 30 50 BDEA CC#CCN(C)C(=O)N[C@@H]1CC[C@H](F)C1 335575281 UMFISEVKZBKQTB-VHSXEESVSA-N 212.268 1.542 30 50 BDEA CC(C)c1cccc(CNC(=O)[C@@H]2CO2)c1 1875372588 IZALKTFMUDMRDA-LBPRGKRZSA-N 219.284 1.825 30 50 BDEA C#CC(C)(C)C(=O)N[C@@H]1CCCSC1 885987361 AELVWJCIENZIPO-SECBINFHSA-N 211.330 1.658 30 50 BDEA COC(=O)[C@H](C#N)[C@@H](C#N)c1ccccc1 393759 CCUQFUPPDNKKGG-WDEREUQCSA-N 214.224 1.607 30 50 BDEA in-vitro C=CCN1C(=O)c2ccc(F)cc2C1=O 198111 CGENFNCDSNOIIS-UHFFFAOYSA-N 205.188 1.608 30 50 BDEA CO/N=C/CC(=O)c1ccc(OC)cc1 4038834 USRFETHLUHIBCX-XYOKQWHBSA-N 207.229 1.900 30 50 BDEA CC#CC(=O)N[C@@H](C[S@](C)=O)c1ccccc1 283294912 TWPGSCBGMCMBFC-SJCJKPOMSA-N 249.335 1.246 30 50 BDEA C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cncc(F)c1 334813105 XKPWKGKUYNWBGY-HQJQHLMTSA-N 219.219 1.709 30 50 BDEA Cc1n[nH]c(C)c1-c1cnc2c(C#N)cnn2c1 426373875 WPWSSKZWUHBBFA-UHFFFAOYSA-N 238.254 1.608 30 50 BDEA C#CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 226048771 HATSPNLEYOCFAZ-UHFFFAOYSA-N 246.119 1.206 30 50 BDEA CC(=O)[C@H]1CCCN(Cc2ccc(C#N)o2)C1 874435284 QOUVAVJDRVZFDN-NSHDSACASA-N 232.283 1.952 30 50 BDEA CC(C)(C#N)CN=c1[nH]cnc2cccnc12 1875294165 CBUVZAXYTYSTFV-UHFFFAOYSA-N 227.271 1.408 30 50 BDEA C[C@@H]1CN(c2cnc(C#N)cn2)[C@H](C)[C@@H](C)O1 408444381 SNGGQAPXPIIMRQ-OPRDCNLKSA-N 232.287 1.350 30 50 BDEA CC1(C)OB(c2cc(F)ccc2O)OC1(C)C 169747492 QZZFCSYBTMZNTR-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA in-vitro CCc1ccc(/C(C)=N/NC(=N)N)cc1 1233206 QKHBRIZCDXTKKN-RIYZIHGNSA-N 204.277 1.456 30 50 BDEA C/C(=N\NC(N)=S)c1ccc(C)cc1O 5542506 DOWCNBZEYNAHPC-KPKJPENVSA-N 223.301 1.258 30 50 BDEA N#Cc1cncc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1 333885026 VOXRZJBZHOTZGD-XRRVDJEJSA-N 240.310 1.831 30 50 BDEA N#CC1CN(C(=O)COCc2ccccc2)C1 590490217 DJJVNXGZRIMEAH-UHFFFAOYSA-N 230.267 1.185 30 50 BDEA C=CCNC(=O)Nc1ccc2c(c1)OCO2 6741559 PVUKGQZCYIMRKW-UHFFFAOYSA-N 220.228 1.723 30 50 BDEA CC(C)N(C)C/C(O)=N/C[C@H]1NCCC[C@H]1C 328600343 XDAQQGOVBJFQJH-VXGBXAGGSA-N 241.379 1.671 30 50 BDEA C#CCOCCOCCOCC(F)(F)F 575409789 HILROVSZUWJRKP-UHFFFAOYSA-N 226.194 1.232 30 50 BDEA CC(C)(C)OC(=O)NC1(C#CC(=O)O)CCC1 1775955167 AUIAYUMMEZFIIT-UHFFFAOYSA-N 239.271 1.522 30 50 BDEA C=CCCCSCc1nc(N)nc(N)n1 117943519 YKROOIXRDONQIP-UHFFFAOYSA-N 225.321 1.235 30 50 BDEA COc1ccc(OC)c(NC(=O)CS)c1 111853 MPEXTMWSTYMCQL-UHFFFAOYSA-N 227.285 1.572 30 50 BDEA Cn1ncc(C(=O)CC#N)c1C(F)(F)F 5816058 OQCHMTIUZQPSHV-UHFFFAOYSA-N 217.150 1.535 30 50 BDEA CC1=C[C@@H]2C=C[C@@H]3C[C@H](OS(C)(=O)=O)[C@@H]1[C@@H]32 253589475 GIANXRWUNDVYDF-RNWYCLNJSA-N 240.324 1.729 30 50 BDEA C=CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2825292 KDZNHPZDNTXVDZ-UHFFFAOYSA-N 236.227 1.519 30 50 BDEA N#CC1CC(Nc2ncnc3cccnc23)C1 1875299591 PKXQWSCUUZQOQV-UHFFFAOYSA-N 225.255 1.739 30 50 BDEA O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CO1 1875373042 SIAZPUXRQSUSEU-VIFPVBQESA-N 229.638 1.494 30 50 BDEA C[C@H](O)[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 221686916 VMDBIQVSEBIATQ-YNEHKIRRSA-N 235.331 1.523 30 50 BDEA CC(C)Oc1c(C#Cc2ccccc2)c(=O)c1=O 5481875 GKYGQJRZSDWMPF-UHFFFAOYSA-N 240.258 1.470 30 50 BDEA Cc1ccc(S(=O)(=O)CCC#N)cc1C 2030432 SWOYAUHKJYFBEH-UHFFFAOYSA-N 223.297 1.991 30 50 BDEA CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccco1 4833773 DKABIGNSXWGDDT-JTQLQIEISA-N 245.242 1.144 30 50 BDEA N/C(=N/c1ncccn1)Nc1ccccc1 20799850 IFTCJPJJVITAQS-UHFFFAOYSA-N 213.244 1.535 30 50 BDEA C#CCSc1nnc(-c2ccccc2)n1N 4002019 CCRGERMIHKJABQ-UHFFFAOYSA-N 230.296 1.384 30 50 BDEA CN(C(=O)OC(C)(C)C)c1cc(C#N)n(C)n1 306145234 SQDSPIWAFCNLEC-UHFFFAOYSA-N 236.275 1.663 30 50 BDEA Cn1nnc2c1C[C@H](/C(O)=N/C1CCC1)CC2 329544520 YVLKRRALBUOQAN-MRVPVSSYSA-N 234.303 1.429 30 50 BDEA C=CCC[C@H](C)NC[C@H]1CCCS1(=O)=O 126882943 KGZDGMSGBYFKGC-WDEREUQCSA-N 231.361 1.508 30 50 BDEA CCC[C@@H]1C[C@H]1N=C1N(C)CCCN1C 1875280618 BSRPUNALPCNNOA-GHMZBOCLSA-N 209.337 1.798 30 50 BDEA CC1(C)OB(c2cccc(C(N)=O)c2)OC1(C)C 169743551 BPKIPHYWHVOWMS-UHFFFAOYSA-N 247.103 1.085 30 50 BDEA in-vitro CC1(C)OB(c2ccc(CO)c(N)c2)OC1(C)C 170015809 JSRFDWVTFSGDOB-UHFFFAOYSA-N 249.119 1.060 30 50 BDEA CC#CC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 801195277 XNSOWDPOBVTMST-CHWSQXEVSA-N 221.300 1.331 30 50 BDEA O=C1CCC=C1I 34541719 IMUSDFZITNOTLJ-UHFFFAOYSA-N 207.998 1.668 30 50 BDEA in-vitro CN1CCC2(CCC(NC(=O)CC#N)CC2)CC1 818027375 NVMKVKJSCDKMKY-UHFFFAOYSA-N 249.358 1.671 30 50 BDEA N#Cc1cccnc1N1CCC[C@@H]2CNCC[C@H]21 715017604 LMCLFDUTUUTXSD-CHWSQXEVSA-N 242.326 1.532 30 50 BDEA CN1CC[C@H](c2ccccc2)/C1=N/CO 102192738 FJKBUEAAEIOKFK-LPJIALBHSA-N 204.273 1.454 30 50 BDEA C#CCOc1ccccc1S(C)(=O)=O 253417667 FZOXHTCBHLSARZ-UHFFFAOYSA-N 210.254 1.102 30 50 BDEA N/C(=N\C1CC1)NCCSC(F)(F)F 195522609 YSWJKBYFEHREQY-UHFFFAOYSA-N 227.255 1.306 30 50 BDEA C=C(C)CCN1CCO[C@@H](CC(=O)OC)C1 160205678 TXLXVFWZAXIMOE-NSHDSACASA-N 227.304 1.217 30 50 BDEA ON=C1[C@H]2C[C@H]3C(=NO)[C@H]4C[C@@H]1C1C2C3C14 45071986 UMQYUJYCQHPIRM-FLELRZDHSA-N 218.256 1.425 30 50 BDEA C=CCOC(=O)[C@H]1NCSC1(C)C 95099737 LICLMCJVHHRELK-SSDOTTSWSA-N 201.291 1.157 30 50 BDEA CC#CC(=O)N(C)Cc1cncc(OC)c1 1875370651 XISLZMWVZGXCKB-UHFFFAOYSA-N 218.256 1.072 30 50 BDEA N#Cc1c(-c2ccccc2)nnn1CCCO 1190210547 OCXXGSVJKIAMHF-UHFFFAOYSA-N 228.255 1.199 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=O)C1 95942498 PUTOENHGHDTSSY-GZMMTYOYSA-N 211.261 1.442 30 50 BDEA in-vitro CC/C=C/CCn1c(N)nc(C#N)c1C#N 185809165 CKUVBYFCAPSIOM-ONEGZZNKSA-N 215.260 1.565 30 50 BDEA CC1(C)OB(c2c(F)cncc2F)OC1(C)C 169935346 OSFFIGWRPWPBRL-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA in-vitro CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198023619 XHSDOOFCOGZVOT-UHFFFAOYSA-N 234.108 1.423 30 50 BDEA in-vitro C=CCn1c(N)c(C(N)=O)sc1=S 54028 RCNAPOFQSALVID-UHFFFAOYSA-N 215.303 1.146 30 50 BDEA in-vitro CC1(C)OB(c2ccnc(C(=O)O)c2)OC1(C)C 169978572 PUFOGOCODWSDAN-UHFFFAOYSA-N 249.075 1.079 30 50 BDEA COC1CC(C=O)(NC(=O)OC(C)(C)C)C1 147165167 YACJNCYKVCIZIK-UHFFFAOYSA-N 229.276 1.258 30 50 BDEA CC(=O)n1c(C#N)c(O)c2ccccc21 190888 GXVBFNOSYWQDCF-UHFFFAOYSA-N 200.197 1.879 30 50 BDEA N#Cc1c(NCc2ccccc2)cc[nH]c1=O 190894 KLVLUGWKHCQCLS-UHFFFAOYSA-N 225.251 1.859 30 50 BDEA COc1ccc(C[C@@]2(C)O[C@@H]2C#N)cc1 307132456 HTUGQEJTTBSRQH-VXGBXAGGSA-N 203.241 1.919 30 50 BDEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccncc1 281646009 YHMNJEDOFGADDO-OLZOCXBDSA-N 246.310 1.793 30 50 BDEA C=C(C)C[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 186401201 YOTVYHIKYBJCON-MRVPVSSYSA-N 243.270 1.694 30 50 BDEA C[C@@]1(CO)CCC[C@H]1Nc1ccc(C#N)nc1 195535362 QOZJNERDZMRYQU-OLZOCXBDSA-N 231.299 1.916 30 50 BDEA COc1ccc(C(=O)N2CCC/C2=N\C#N)cc1 204355 CNQQVQKKJJUKHA-NTCAYCPXSA-N 243.266 1.811 30 50 BDEA Cc1cccc(C)c1NC(=O)C[N+](C)(C)C 2380186 QYUXPWDVDMSTKR-UHFFFAOYSA-O 221.324 1.948 30 50 BDEA in-vitro CC1=NN(C(=O)CC#N)[C@@](O)(c2ccccc2)C1 4840329 SBIWEZIVEYMXOT-ZDUSSCGKSA-N 243.266 1.354 30 50 BDEA C#CCN(C)C(=O)c1cc(F)c(O)c(F)c1 225637716 DLMZJCIWURFFPE-UHFFFAOYSA-N 225.194 1.376 30 50 BDEA C=CCN1CCN(C(=O)CCCC)CC1 20581997 BDCNRDTWRNAASJ-UHFFFAOYSA-N 210.321 1.507 30 50 BDEA Cc1nnc(Cn2c(C)nc(C#N)c2C#N)s1 332706784 YEWKWFRKYJWXFV-UHFFFAOYSA-N 244.283 1.143 30 50 BDEA CC1(C)C[C@@H](O)CCN(c2cc(C#N)ccn2)C1 296176152 ZSGTVDVUSSEVFG-LBPRGKRZSA-N 245.326 1.941 30 50 BDEA C[C@]1(C(=O)N[C@H]2CCCc3ccccc32)CO1 1875325581 PVKJQZAAFDPVND-GXTWGEPZSA-N 231.295 1.969 30 50 BDEA C[C@@H](C#N)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 217895193 CHZGNICJVVRUGL-VIFPVBQESA-N 247.107 1.267 30 50 BDEA NC(N)=NC(=O)Cc1ccc(Cl)c(Cl)c1 308972085 HBIHKJRSZZOWLA-UHFFFAOYSA-N 246.097 1.336 30 50 BDEA CCOC(=O)/C(C#N)=N\Nc1ccccc1O 15635840 JGFUQZRKLXHFBX-ZROIWOOFSA-N 233.227 1.247 30 50 BDEA N/C(=N/O)c1ccc(OC(F)(F)F)cc1 2547296 COHKFOZYLCDVRK-UHFFFAOYSA-N 220.150 1.680 30 50 BDEA in-vitro N#CCC(=O)Nc1ccc2c(c1)OCCO2 3886195 OZUPHDDIYRMACA-UHFFFAOYSA-N 218.212 1.310 30 50 BDEA in-vitro CC(=O)ON=C1CC(C)(C)NC(C)(C)C1 40493 VWEVDTPQONPPFN-UHFFFAOYSA-N 212.293 1.846 30 50 BDEA C[C@H](O)CNc1nc(Cl)c(C#N)s1 406072 OVNZZRDNCUSTQX-BYPYZUCNSA-N 217.681 1.461 30 50 BDEA Oc1ccccc1/C=N/CCCN1CCOCC1 3158430 MBZHORGUJVHIJX-NTCAYCPXSA-N 248.326 1.533 30 50 BDEA Cc1ccc2nc(N=C(N)N)sc2c1 45237174 VHNNSKOVSMHJQF-UHFFFAOYSA-N 206.274 1.510 30 50 BDEA CC(C)(C)OC(=O)N1CCOC[C@@H]1C#N 39957288 QSBSEJKNKHZYKD-QMMMGPOBSA-N 212.249 1.146 30 50 BDEA in-vitro C[C@@H]1CCCC[C@H]1CN1CC(O)(CC#N)C1 170089706 CGEHHOVCTJXFFN-NEPJUHHUSA-N 222.332 1.773 30 50 BDEA C=CCNC(=O)CCCCC(=O)NCC=C 2752228 BHMBYNPPLMUATD-UHFFFAOYSA-N 224.304 1.151 30 50 BDEA COc1ccc([C@H](C#N)c2ccc(O)nn2)cc1 4023600 BEOMFNYHNRNOTK-NSHDSACASA-N 241.250 1.846 30 50 BDEA COC(=O)c1cc2ccc(OC[C@H]3CO3)cc2o1 1875378505 FDCFQVRKRMKASV-JTQLQIEISA-N 248.234 1.997 30 50 BDEA C=CCN[C@@H](C)c1ccc(-n2cnnn2)cc1 130669513 RKLIXCCTEQPQRW-JTQLQIEISA-N 229.287 1.499 30 50 BDEA CC(C)(C)C(=O)O/N=C(\N)c1ccccn1 6823502 NSKVHPATAFCFHH-UHFFFAOYSA-N 221.260 1.291 30 50 BDEA N=C(N/N=C\c1ccc(O)cc1)c1ccccn1 32608611 LGXOVECBZVRKHR-SXGWCWSVSA-N 240.266 1.736 30 50 BDEA N#CCc1cc(N)ncc1C(F)(F)F 238654509 YBVNBZHIHVICHW-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA COC(=O)[C@H]1C(=O)C=C(O)C[C@H]1c1ccccc1 98044957 LKFZUQQAAOFZFT-WCQYABFASA-N 246.262 1.974 30 50 BDEA O=C(NO)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 863856998 WTTILFACZMAGOC-LPEHRKFASA-N 223.659 1.731 30 50 BDEA C#CCN(C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 192229489 XDCFWYOMSNMEHP-VXGBXAGGSA-N 222.332 1.056 30 50 BDEA N#CCC(=O)NCc1cccc(Cl)c1 258115 BSFAHGRCRCEWMR-UHFFFAOYSA-N 208.648 1.870 30 50 BDEA in-vitro C=CCN1CCN(C(=O)C2CCCCC2)CC1 20160878 SOKJWYUFMQDIAU-UHFFFAOYSA-N 236.359 1.897 30 50 BDEA CC1(C)OB(c2ccc(N)c(C#N)c2)OC1(C)C 202279675 JWCNIIZUTIYXTL-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA C=CCN1C(=O)CC(C(=O)OCC)=C1C 870171 GMWJJRIQTFQTEZ-UHFFFAOYSA-N 209.245 1.242 30 50 BDEA CC#CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 283308033 UWKYDOSYHLEBGD-UKRRQHHQSA-N 242.322 1.571 30 50 BDEA N#Cc1ccc(CN)c(Br)c1 83346417 CEZMTUWRWQVSGS-UHFFFAOYSA-N 211.062 1.779 30 50 BDEA CC1(C)OB(/C=C2/CCNC2)OC1(C)C 1772718055 JDWBYMFTHITNIE-CLFYSBASSA-N 209.098 1.538 30 50 BDEA C[C@@H]1CC(C)(C)OB(c2ccc(C#N)cc2)O1 169808877 RLBAAYVYBDCJNP-SNVBAGLBSA-N 229.088 1.857 30 50 BDEA in-vitro CC1(C)C[C@H](O)CCN(c2cccc(C#N)n2)C1 296054819 QSEVAIPCWCDAJR-GFCCVEGCSA-N 245.326 1.941 30 50 BDEA O/C(Cn1cnc(C2CC2)n1)=N/CC1CC1 329546610 BXNVHERNLFOPCV-UHFFFAOYSA-N 220.276 1.522 30 50 BDEA CC(C)(C)SCCn1c(N)nc(C#N)c1C#N 253392762 ZMCFAGVWSPSEMU-UHFFFAOYSA-N 249.343 1.740 30 50 BDEA CCOC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 426546102 HFZZLYVPXMZIKS-NSHDSACASA-N 247.298 1.527 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@H](C#CC(=O)O)C1 950757384 YJQOIVABVRECIP-VIFPVBQESA-N 239.271 1.331 30 50 BDEA CCC(CC)C(=O)N[C@H](C#N)[C@@H]1CCOC1 1875365279 TVYVDFGZWLAXIL-GHMZBOCLSA-N 224.304 1.467 30 50 BDEA C=CC(=O)Nc1cc(C#N)c(F)cc1F 1776004947 SQXYWOZMIGMPJV-UHFFFAOYSA-N 208.167 1.961 30 50 BDEA CC1(C)OB(c2ccccc2O)OC1(C)C 169743287 VLROJECCXBBKPZ-UHFFFAOYSA-N 220.077 1.691 30 50 BDEA in-vitro N#CCNS(=O)(=O)c1cnc2ccccc2c1 170617505 LWRRCEQCGJVXGV-UHFFFAOYSA-N 247.279 1.037 30 50 BDEA CCOC(=O)c1c(C#N)c(=O)[nH]c2ccccc12 5919808 LWBQDEHKTJBJOD-UHFFFAOYSA-N 242.234 1.576 30 50 BDEA CC(=O)/C(=N/O)C(=O)Nc1ccccc1 17744659 UWYXIAWYMDVVGK-XFXZXTDPSA-N 206.201 1.044 30 50 BDEA C[C@@H](C#N)NC(=O)OCc1ccccc1 2243521 RKPTZVZVBGXQSI-VIFPVBQESA-N 204.229 1.825 30 50 BDEA N#Cc1ncn(CC[C@@H]2CCCO2)c1C#N 156290859 WKOSEMBJPYTAMP-VIFPVBQESA-N 216.244 1.196 30 50 BDEA N#Cc1c(F)cccc1CN1CCOCC1 335336464 KSCBQZKOWVAQLO-UHFFFAOYSA-N 220.247 1.530 30 50 BDEA N#CC1(C(=O)N[C@H]2CC[C@@H](F)C2)CCC1 336401248 GTRDZEXIMIHQOX-BDAKNGLRSA-N 210.252 1.687 30 50 BDEA C(=C/c1ccccc1)\B1OCCNCCO1 197009478 FYJQNZMVWCSWMH-VOTSOKGWSA-N 217.077 1.364 30 50 BDEA CC(C)(C)[C@@H](C#N)NC(=O)c1cc(C#N)ccn1 292098459 OUYVZOYLATYHSD-LLVKDONJSA-N 242.282 1.621 30 50 BDEA O=C1CCCCN1c1cccc(OC[C@H]2CO2)c1 1875379721 VKLLZKRVKUGIRP-ZDUSSCGKSA-N 247.294 1.981 30 50 BDEA C#CCN(C)C(=O)[C@@H]1CCO[C@H](CC)C1 191126156 QMMAXIGYDCJSQV-GHMZBOCLSA-N 209.289 1.283 30 50 BDEA N#Cc1c(C(F)(F)F)cc(O)nc1O 12336283 JRLZWXISQMMITA-UHFFFAOYSA-N 204.107 1.383 30 50 BDEA in-vitro C#CCC(CC#C)(C(=O)OCC)C(=O)OCC 1646562 MYZCCWFBKBDURM-UHFFFAOYSA-N 236.267 1.146 30 50 BDEA C#CCN(CC=C)CCC(=O)N1CCC[C@@H](C)C1 65373242 ANEGAFRCZWVBDA-CQSZACIVSA-N 248.370 1.756 30 50 BDEA CC#CC(=O)N[C@H]1Cc2cccc(OC)c2C1 1875365823 JPRJLAMNHQNECJ-NSHDSACASA-N 229.279 1.302 30 50 BDEA CC(C)C[C@H](N)B1OC(C)(C)C(C)(C)O1 169747674 DGBIXWGLQXUYLP-VIFPVBQESA-N 213.130 1.991 30 50 BDEA in-vitro CC1(C)OB(c2cccc(NC=O)c2)OC1(C)C 169809919 NYDQNRBQQQKVKY-UHFFFAOYSA-N 247.103 1.554 30 50 BDEA in-vitro C=C[C@H](O)COS(=O)(=O)c1ccc(C)cc1 2516991 YQSCDBZHHLIPOI-JTQLQIEISA-N 242.296 1.247 30 50 BDEA COC(=O)c1ccsc1NC(=O)CC#N 6145408 NLSFAIWVAKEHCE-UHFFFAOYSA-N 224.241 1.387 30 50 BDEA C=CCOc1ccccc1CNC(=O)C(C)(C)N 236799741 KBFLMZJZKMKDKL-UHFFFAOYSA-N 248.326 1.605 30 50 BDEA C[C@]1(c2ccc(S(C)(=O)=O)cc2)O[C@H]1C#N 380511690 NVBWBALKUHOLLU-WDEREUQCSA-N 237.280 1.228 30 50 BDEA CNC(=NC[C@@H]1CCO[C@H]1c1ccccc1)NC 190533745 NHVNDIFQNHEXMF-STQMWFEESA-N 247.342 1.559 30 50 BDEA Cc1ccc(C#N)c(N2CC[C@@]3(CCOC3)C2)n1 161813559 MOYHNBQZYLYDAK-CQSZACIVSA-N 243.310 1.879 30 50 BDEA N#CC1CN(C(=O)Cc2ccccc2F)C1 590487046 WKQKIDQOVNRJEY-UHFFFAOYSA-N 218.231 1.350 30 50 BDEA CCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 170005389 VMOAMKDQOZZHPX-UHFFFAOYSA-N 248.135 1.813 30 50 BDEA C[C@]1(/N=C(/O)c2csc(O)n2)CCOC1 329904279 JAVCPTXJLGXCDE-VIFPVBQESA-N 228.273 1.332 30 50 BDEA CO[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@@H]1C 187887961 ZYNNWAYHUMWKRF-VHSXEESVSA-N 224.304 1.420 30 50 BDEA O=CC1CCN(Cc2cccnc2)CC1 12370849 YRGNXJYVZPMIDV-UHFFFAOYSA-N 204.273 1.493 30 50 BDEA C[C@@H](Nc1ccc(C#N)nc1)c1ccn(C)n1 413455703 JTMMGQIPYZAJSH-SECBINFHSA-N 227.271 1.860 30 50 BDEA C=CCNC(=O)C(=O)NC[C@H](CC)CCCC 2994186 HTMXLGVOQFWPNT-LLVKDONJSA-N 240.347 1.621 30 50 BDEA COc1ccc2nc(N=C(N)N)sc2c1 39408596 JQHGAVRMSKHICJ-UHFFFAOYSA-N 222.273 1.210 30 50 BDEA N#Cc1ccc(N2CCC[C@H](C(=O)O)C2)cn1 129095934 LKRLDWRVORDSHF-VIFPVBQESA-N 231.255 1.254 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)NCc2cc[nH]n2)C1 612137775 VNEWCDSSCSPRLB-GFCCVEGCSA-N 247.302 1.245 30 50 BDEA COc1ccc(C(=O)/C=C/C(=O)O)cc1 129051 WORYXBDHTBWLLL-VOTSOKGWSA-N 206.197 1.519 30 50 BDEA in-vitro N/C(=N/O)c1cccc(C(F)(F)F)c1 4290199 SBGBSARAGZEWGI-UHFFFAOYSA-N 204.151 1.800 30 50 BDEA in-vitro CCOC(=O)COc1ccc(C#N)cc1 110602 FZIFHLRZVOQASN-UHFFFAOYSA-N 205.213 1.500 30 50 BDEA in-vitro N#Cc1c(-c2cccs2)cc[nH]c1=O 170321 XCPYVKHGOXOHEJ-UHFFFAOYSA-N 202.238 1.975 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccc(C(=O)O)cc1 4951475 AVCABEZIPUDTIA-NTUHNPAUSA-N 244.254 1.475 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N)c1O 170003596 VCKKPPCYKOLMQG-UHFFFAOYSA-N 249.119 1.582 30 50 BDEA C=C(C)C(=O)OC/C=C/COC(=O)C(=C)C 39363467 SNPKTIBMZOAVGQ-AATRIKPKSA-N 224.256 1.781 30 50 BDEA C[C@H](C#N)CNC(=O)N1CCC[C@H]1CF 334795951 WNBKXQDTOTXKGD-BDAKNGLRSA-N 213.256 1.290 30 50 BDEA C=C(C)CS(=O)(=O)N1CCC[C@@H]1CF 334429543 ZBBUBLZPAPPOIK-SECBINFHSA-N 221.297 1.326 30 50 BDEA CC(C)(C)OC(=O)Nn1cccc1C#N 44137532 SXUSNFHKHIJDRN-UHFFFAOYSA-N 207.233 1.838 30 50 BDEA in-vitro C=C(C)CNC(=O)NCc1ccnc(C)n1 156580574 IUOVEELTUNHWHI-UHFFFAOYSA-N 220.276 1.160 30 50 BDEA CC1(C)OB(c2cccc(F)c2O)OC1(C)C 206118469 VVRPNFMXZUKKOA-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA C=CCNc1nc(Cl)nc(NC(C)C)n1 2464129 DOMHVNRRWJVRIN-UHFFFAOYSA-N 227.699 1.943 30 50 BDEA C[C@H]1OCC[C@H]1Nc1cccnc1C#N 134559418 ZDVLDNLAJZYINI-RKDXNWHRSA-N 203.245 1.543 30 50 BDEA CC(C)c1cc(=O)n2ncc(C#N)c2[nH]1 136094335 NAXVTXIRLHXPDS-UHFFFAOYSA-N 202.217 1.018 30 50 BDEA C=CCN1[C@H]2CCCC[C@@H]2OC12COC2 247976145 FVIWLAGDOWAXNI-QWRGUYRKSA-N 209.289 1.542 30 50 BDEA C=CCCC(=O)N(C)C1CCC(O)CC1 241371384 MNDPEVGQIKSMGO-UHFFFAOYSA-N 211.305 1.715 30 50 BDEA O=C(NC[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F)[C@@H]1CO1 1875373150 VDAOHZZPGCKFTD-JXUBOQSCSA-N 245.269 1.573 30 50 BDEA CC1(C)OB(c2ccc(C#N)cc2F)OC1(C)C 169743572 FEUINZSEHIJUBU-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro C#CC1CCN(Cc2cscn2)CC1 585089095 AFDRSLNNPUCLSJ-UHFFFAOYSA-N 206.314 1.988 30 50 BDEA CN(C)CCCOc1ccccc1C#N 4868934 IRLARMCZZWFRCP-UHFFFAOYSA-N 204.273 1.889 30 50 BDEA in-vitro C[C@H]1NC(=NCc2ccccc2)N[C@@H]1C 1775994228 YXIIYTZMDJHVML-NXEZZACHSA-N 203.289 1.512 30 50 BDEA CC#CC(=O)NC[C@]1(CO)CCc2ccccc21 846342901 LHCYDDOGXZIILE-HNNXBMFYSA-N 243.306 1.002 30 50 BDEA CC1(C#N)CN(c2ncnc3[nH]ccc23)C1 280923048 IKQAUACIHCKKCQ-UHFFFAOYSA-N 213.244 1.308 30 50 BDEA C=CCNCC#CCOc1ccc(OC)cc1 2838856 OUSAHEPVKKNBKX-UHFFFAOYSA-N 231.295 1.853 30 50 BDEA CCN1C(=O)CSC1=Nc1nccs1 245377371 KDKRMLDEGWORKL-UHFFFAOYSA-N 227.314 1.726 30 50 BDEA CCc1nc(C#N)cc(N2CCC[C@@H]2[C@@H](C)O)n1 585098973 XXNPRKLBSWVUKD-MWLCHTKSSA-N 246.314 1.260 30 50 BDEA N/C(=N\O)c1ccc(C(F)(F)F)cc1 12650621 QCVFLUSIBKAKPC-UHFFFAOYSA-N 204.151 1.800 30 50 BDEA in-vitro N#Cc1cccnc1N[C@H]1CC=CC[C@@H]1C(N)=O 1616096737 FASGIAXAFXIRSK-QWRGUYRKSA-N 242.282 1.185 30 50 BDEA Cc1cc(C#N)ncc1B1OC(C)(C)C(C)(C)O1 209744063 RBFOLJRYJNEFJD-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA N#Cc1ncccc1I 12359328 MZZGCCSFZCRVAF-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA in-vitro COCCNc1ccc([N+](=O)[O-])cc1C#N 8054912 NVHDTQZNUZQAOY-UHFFFAOYSA-N 221.216 1.525 30 50 BDEA CCCC(=O)C1=C(N)CC(C)(C)CC1=O 100319142 GJFIATADXXQWIM-UHFFFAOYSA-N 209.289 1.958 30 50 BDEA biogenic CC1(C)OB(c2cccc(C#N)c2N)OC1(C)C 170008053 AGWCTPAXVSIGRY-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA N#CCCCC(=O)N1CCC(n2ccnc2)CC1 292380546 QCBCHENBDFMFSW-UHFFFAOYSA-N 246.314 1.740 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@H](/C(N)=N/O)C1 95483679 KCVBHZWEPHUWBW-MRVPVSSYSA-N 243.307 1.380 30 50 BDEA C=Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1 1875390117 CJTCXJTYQABOIC-UHFFFAOYSA-N 220.081 1.283 30 50 BDEA CC#CC(=O)Nc1cc2c(cc1F)CCNC2=O 1875387662 RJTPDIMGTWXNKC-UHFFFAOYSA-N 246.241 1.073 30 50 BDEA C#CCNS(=O)(=O)c1ccc(Cl)cc1 2148970 OUGVXFDQNIJIHV-UHFFFAOYSA-N 229.688 1.252 30 50 BDEA C=CCOC(=O)C(C)(C)Br 2504727 WIPLNCYPGHUSGF-UHFFFAOYSA-N 207.067 1.889 30 50 BDEA C[C@H]1C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1 113155510 HAYNQPVPECFGBT-IUCAKERBSA-N 213.277 1.831 30 50 BDEA Cn1ccc(CC/N=C(/O)N[C@@H]2C=CCCC2)n1 329511919 KSUWZGRTOKREDU-LLVKDONJSA-N 248.330 1.575 30 50 BDEA CN1C(=O)[C@]2(C)C[C@](C)(C#N)N2c2ccccc21 252533125 FXIHRMMKOYBUIQ-KGLIPLIRSA-N 241.294 1.914 30 50 BDEA N#Cc1cc(C(=O)O)cc(O)c1Br 263625264 YEGHYFIPWBQPQE-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C#C[C@H](NC(=O)C#CC)c1ccc(F)cc1 491638950 WJJRYHAYKLRCOD-LBPRGKRZSA-N 215.227 1.640 30 50 BDEA O=C(NCCc1ccc2ccccc2n1)[C@H]1CO1 1875373116 UGBSFKOBUVXBJI-CYBMUJFWSA-N 242.278 1.292 30 50 BDEA C=C(C)CNC(=O)N[C@H](CO)Cc1ccccc1 153967818 PQTVHUZGEDKCIT-ZDUSSCGKSA-N 248.326 1.465 30 50 BDEA CCc1ccc(OCC#CCNC)cc1 16623245 AWBUWTDIPJHGJC-UHFFFAOYSA-N 203.285 1.851 30 50 BDEA CCNS(=O)(=O)c1ccc(C#N)cc1Cl 169260662 UJDLYEWSJYGLSC-UHFFFAOYSA-N 244.703 1.510 30 50 BDEA C(=N/Nc1ccc2nncn2n1)\c1ccccc1 4566222 WISWUCWZCKWEDR-MDWZMJQESA-N 238.254 1.570 30 50 BDEA CC(=O)Nc1ccc(OC[C@H]2CO2)cc1 165939 OQAKYHCGYGLHAZ-NSHDSACASA-N 207.229 1.423 30 50 BDEA in-vitro C#CCSCCNC(=O)N[C@@H](C#C)C(C)C 225591989 NJRCQXXEKQSUIJ-NSHDSACASA-N 238.356 1.310 30 50 BDEA O=[N+]([O-])/N=C1/N=N[C@H](c2ccccc2)N1 22782336 IIPIIFMAQDUZER-SSDOTTSWSA-N 205.177 1.288 30 50 BDEA N#Cc1cnn(Cc2cccc(F)c2C#N)c1 336102318 PZHIVPQPFTVWOD-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA CC1(C)OB(c2ccc([N+](=O)[O-])cc2)OC1(C)C 169744999 LUWACRUAJXZANC-UHFFFAOYSA-N 249.075 1.894 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)CCCC(=O)O)C1 534674675 YUCCWQOJZFSLOG-LBPRGKRZSA-N 238.287 1.394 30 50 BDEA C=CCc1ccccc1OCCNCCN 20118246 CCNZRRTXNAHGNV-UHFFFAOYSA-N 220.316 1.342 30 50 BDEA N#CC1CC(Nc2ncnc3[nH]ccc23)C1 1875299758 VCTADZAIDJOHKW-UHFFFAOYSA-N 213.244 1.672 30 50 BDEA CC1(C)OB([C@@]23CNC[C@@H]2C3)OC1(C)C 1772769004 BNHTVZDYGAHNOZ-KWQFWETISA-N 209.098 1.442 30 50 BDEA COC(=O)c1cc(-c2ccc(C#N)cc2)on1 90513787 LQMGDMIENOPHGD-UHFFFAOYSA-N 228.207 2.000 30 50 BDEA in-vitro CC/N=C(/NCCSC)NC1CC1 170621445 JLJZMYRNPZQWSA-UHFFFAOYSA-N 201.339 1.067 30 50 BDEA C=CCn1c(C)nnc1SC[C@@H](C)O 170617566 MMLOVYGKOYSMEB-SSDOTTSWSA-N 213.306 1.245 30 50 BDEA C=C(C)c1cc(S(N)(=O)=O)ccc1OCC 649444286 LWQOWUPVVAVINW-UHFFFAOYSA-N 241.312 1.766 30 50 BDEA CCN(C[C@@H]1CCCCO1)c1nccnc1C#N 1529179800 DVPMXLRSOAAQIN-NSHDSACASA-N 246.314 1.744 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@]2(C)O[C@H]2C1 216717272 XKAQTGOFXOCTAO-KWQFWETISA-N 213.277 1.785 30 50 BDEA in-vitro S=c1[nH]ncn1/N=C/c1ccc2c(c1)OCO2 6322596 NOYAZDZULKWWKW-UUILKARUSA-N 248.267 1.552 30 50 BDEA C=CCNC(=O)c1cc(-c2cccc(O)c2)on1 3908307 IWJANCHOPILGID-UHFFFAOYSA-N 244.250 1.963 30 50 BDEA CC1(C)CC(=O)C(=CNC(C)(C)CO)C(=O)C1 100446482 BJJXGLZXQSMNRW-UHFFFAOYSA-N 239.315 1.189 30 50 BDEA C=CCN1CCN(C(=O)c2ccccc2C)CC1 55060316 LZQBOLHWKUMCBS-UHFFFAOYSA-N 244.338 1.939 30 50 BDEA C[C@H]1CC[S@](=O)CCN1c1ccc(C#N)cn1 252480035 BSNPXWMKNCPFKU-BTDLBPIBSA-N 249.339 1.301 30 50 BDEA Nc1c(Cl)cc(Cl)cc1C(=O)NO 3997400 HIWHWBVENCBGDR-UHFFFAOYSA-N 221.043 1.695 30 50 BDEA N#C[C@H]1CC[C@@H](NC(=O)N2CC(F)C2)C1 335608984 FJIXTFJNWARNRG-IONNQARKSA-N 211.240 1.042 30 50 BDEA O=C(N[C@@H](CC(F)F)c1ccccc1)[C@H]1CO1 1875372441 GGBCVAJVXKATPC-VHSXEESVSA-N 241.237 1.898 30 50 BDEA CC1(C)OB(c2ccc(O)cc2C=O)OC1(C)C 200441698 QLKZCPHJMLNAHM-UHFFFAOYSA-N 248.087 1.504 30 50 BDEA C#CCNC(=O)CN1CCC[C@@H]2CCCC[C@H]21 216282483 BSQWOAIKHSTTBD-QWHCGFSZSA-N 234.343 1.390 30 50 BDEA C[C@@H]1C[C@H]1c1nc(C#N)c(N2CCOCC2)o1 1775965069 TYRSKDOMUQCVQB-RKDXNWHRSA-N 233.271 1.506 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1 205884774 AFASZBFMLVPOTQ-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA O=C[C@@H]1CCCN1C(=O)OCc1ccccc1 2527696 ASNHSGGMNWXBEI-LBPRGKRZSA-N 233.267 1.987 30 50 BDEA in-vitro CCc1nc(C#N)cc(N2C[C@H](C)N[C@H](C)C2)n1 308245414 YKFCVEBQISVHJV-AOOOYVTPSA-N 245.330 1.097 30 50 BDEA C=C1C[C@@H]1CN=c1ccnc(NC[C@H]2CC2=C)[nH]1 2325784319 SUMSOFGTAFHSGI-VXGBXAGGSA-N 242.326 1.875 30 50 BDEA COc1ccc(N(C)C(=O)CC#N)cc1F 258765444 WIHILYWVXRGIMO-UHFFFAOYSA-N 222.219 1.711 30 50 BDEA CCOC(=O)/C(=C(\O)SC)[n+]1ccccc1 136693292 ROZBAPCHMBGPCX-UHFFFAOYSA-O 240.304 1.584 30 50 BDEA COC(=O)N(C)c1ccc(OC[C@@H]2CO2)cc1 1875379315 PRVAVTYHZRLESO-LLVKDONJSA-N 237.255 1.667 30 50 BDEA C#CCN(C[C@@H]1CCSC1)C1CSC1 585138211 VZJCJPKCYCHXEQ-JTQLQIEISA-N 227.398 1.790 30 50 BDEA Cc1ccc(S(=O)(=O)OCC#N)cc1 2163477 PFXOLUYGXYEFOR-UHFFFAOYSA-N 211.242 1.224 30 50 BDEA biogenic Cc1n[n+](CC(=O)c2ccccc2)c(N)s1 3123305 LXBWILANSBITTM-UHFFFAOYSA-O 234.304 1.204 30 50 BDEA N#Cc1ccc(-n2cncn2)c([N+](=O)[O-])c1 111552265 ZPWZGQAOSBAPRD-UHFFFAOYSA-N 215.172 1.047 30 50 BDEA CC1(C)OB(c2cnc3c(c2)CCC3)OC1(C)C 217048023 REIYTAWNXLYGMU-UHFFFAOYSA-N 245.131 1.870 30 50 BDEA C=CCN1C(=O)N(C)C(=O)[C@@H]1c1ccccc1 71773029 OHONXLVZUXBJJK-NSHDSACASA-N 230.267 1.808 30 50 BDEA Cc1cnc(N(C)C[C@H](C)C#N)nc1C 270739132 WZQKTYFFVIPTSC-MRVPVSSYSA-N 204.277 1.689 30 50 BDEA Cc1cc(C(=O)NC2(C#N)CCCCC2)cnn1 276272699 WCZJKCXXBMRIMY-UHFFFAOYSA-N 244.298 1.741 30 50 BDEA COC[C@@H]1C[C@@H](OC)CN1c1cc(C#N)ccn1 343744377 QWFUKGUKNWYLHK-NWDGAFQWSA-N 247.298 1.193 30 50 BDEA O=C(/C=C/c1ccc(O)cc1)c1ccc[n+]([O-])c1 5248890 CSZOETYZEUXBPB-VMPITWQZSA-N 241.246 1.922 30 50 BDEA Cc1cc(C)nc(/N=C(\N)NC2CCCCC2)n1 13118682 OFJULBSMJCEMCG-UHFFFAOYSA-N 247.346 1.962 30 50 BDEA C=CC/N=C1\N=C(C)[C@@H](C(=O)OCC)S1 17194844 TZBXXJJVVBZVHF-PNLVODKCSA-N 226.301 1.668 30 50 BDEA C[C@](O)(C#CCN1CCOCC1)c1ccccc1 19770598 UGNKWWUAQYFVEI-HNNXBMFYSA-N 245.322 1.230 30 50 BDEA CCN(CC)c1oc(CC(=O)O)nc1C#N 1857798967 HYBLCVJVERJCQF-UHFFFAOYSA-N 223.232 1.020 30 50 BDEA CCOC(C[C@H](C#N)C(=O)OC(C)C)OCC 675050779 XULNHKVQXCYHAL-SNVBAGLBSA-N 243.303 1.867 30 50 BDEA O=C1CC[C@H](Cc2cccc(OC[C@@H]3CO3)c2)O1 1875379493 RJAYKMUMXYMKBZ-CHWSQXEVSA-N 248.278 1.712 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@]2(C)O[C@H]2C1 216717223 XKAQTGOFXOCTAO-GZMMTYOYSA-N 213.277 1.785 30 50 BDEA in-vitro C=CCc1ccc(OC[C@H](O)CO)c(OC)c1 345215 WSGHOKIAHKGCPG-LLVKDONJSA-N 238.283 1.156 30 50 BDEA biogenic N#Cc1nc(Cc2ccccc2)oc1NCCO 2050024768 KXBGMGPODISYBW-UHFFFAOYSA-N 243.266 1.541 30 50 BDEA C[C@@H]1OCC[C@@H]1Nc1cccnc1C#N 134559476 ZDVLDNLAJZYINI-IUCAKERBSA-N 203.245 1.543 30 50 BDEA N#Cc1ccc(CN2CCOCC2)cc1F 113962814 JNFNZCWMCWTUGY-UHFFFAOYSA-N 220.247 1.530 30 50 BDEA C[C@@H]1CCCC[C@@H]1CN1CC(O)(CC#N)C1 170089701 CGEHHOVCTJXFFN-VXGBXAGGSA-N 222.332 1.773 30 50 BDEA COC[C@H]1CN(CCCC#N)C[C@H](C)O1 189423203 GYKFUKQHHFTXJL-WDEREUQCSA-N 212.293 1.026 30 50 BDEA CC#CC(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1 837183278 WFZLSOOJKUMDSD-JTQLQIEISA-N 249.285 1.905 30 50 BDEA Cn1nnc(C/N=C(/O)[C@@H]2CC23CCCC3)n1 330175709 JIVWQZUITQEYMT-QMMMGPOBSA-N 235.291 1.247 30 50 BDEA C=C(CC(F)(F)C(=O)OCC)C(=O)OCC 72267080 CEBFZCRCMYROJV-UHFFFAOYSA-N 236.214 1.694 30 50 BDEA N#Cc1cc(O)c(Br)c(C(=O)O)c1 263624798 UILJVJYFZQGAPZ-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CN1CCCC[C@@H]1CCn1cnc(C#N)n1 219668216 LLUDNRNCAKZIFW-SNVBAGLBSA-N 219.292 1.024 30 50 BDEA N#Cc1ccc(CN[C@H]2CCOC2)cc1F 334740333 VTJNUZPPABRGLK-NSHDSACASA-N 220.247 1.576 30 50 BDEA CC(C)(C)OC(=O)NCC1(C=O)CCC1 238853095 IJLNNGPCNJWBMU-UHFFFAOYSA-N 213.277 1.880 30 50 BDEA in-vitro CCC(=O)NC=C1C(=O)c2ccccc2C1=O 296539 AEODQQKOZVPLOA-UHFFFAOYSA-N 229.235 1.476 30 50 BDEA N/C(=N\OC(=O)c1cccs1)c1cccnc1 8553190 HTDCRMHGDYBKLK-UHFFFAOYSA-N 247.279 1.620 30 50 BDEA CS/C(N)=N\N=C\c1ccc2c(c1)OCO2 5211206 IXDXBXANPHFKBD-LFYBBSHMSA-N 237.284 1.427 30 50 BDEA CN1C(=O)S[C@@H](Cc2ccc(C#N)cc2)C1=O 1390595 YJUDTODRMSCDNZ-JTQLQIEISA-N 246.291 1.795 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@@H]1c1ccccc1 1875372787 MNPDUZZHIAMZLF-VXGBXAGGSA-N 217.268 1.749 30 50 BDEA CCc1cncc(B2OC(C)(C)C(C)(C)O2)c1 202383751 HORWYTDAFKMPER-UHFFFAOYSA-N 233.120 1.943 30 50 BDEA N#Cc1ccccc1C[C@H]1CCCS(=O)(=O)C1 85479489 WUCWQHPMECAYFR-LLVKDONJSA-N 249.335 1.926 30 50 BDEA N#Cc1ccc(NC(=O)CCC(=O)O)cc1 143352 PVXNEGDGLGDODH-UHFFFAOYSA-N 218.212 1.362 30 50 BDEA CCO/C(O)=N/S(=O)(=O)c1ccc(C)cc1 46534 DFWQXANLGSXMKF-UHFFFAOYSA-N 243.284 1.634 30 50 BDEA Cc1sc2c(=O)n(CC3CC3)nnc2c1C#N 1908500302 OXSBSFMFJQYAKZ-UHFFFAOYSA-N 246.295 1.443 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 202386602 LKEABTHVRADLLJ-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA C=CCC[C@H](C)N[C@@H]1CCC(=O)N(C)C1 126845196 VPKODQMAZWKQKZ-WDEREUQCSA-N 210.321 1.552 30 50 BDEA O=S(=O)(N/N=C/c1ccc[nH]1)c1ccccc1 3159434 DBUXOBLTXCLASI-UKTHLTGXSA-N 249.295 1.327 30 50 BDEA N#CC1(CN2C[C@@H](F)C[C@H]2CO)CCC1 334654203 ZNQQAJCYBXURGE-UWVGGRQHSA-N 212.268 1.085 30 50 BDEA N#CCc1nn(-c2ccccc2)c(N)c1C#N 96718 GUHSDYKJSKLWJF-UHFFFAOYSA-N 223.239 1.392 30 50 BDEA in-vitro N#Cc1c(N)sc2c1C1CCN2CC1 377502 UTKBYTULJUZJBI-UHFFFAOYSA-N 205.286 1.899 30 50 BDEA in-vitro Cc1n[nH]cc1C(=O)N1CCC[C@](C)(C#N)C1 612368122 AHPKAOZZITYTNY-GFCCVEGCSA-N 232.287 1.484 30 50 BDEA N#Cc1cccc(CNCCC2CC(O)C2)c1 432361603 DLMKYIXTWNFTMG-UHFFFAOYSA-N 230.311 1.809 30 50 BDEA C=CCNC(=O)c1ccc([N+](=O)[O-])cc1 1808043 FNBFVSBDISVHPT-UHFFFAOYSA-N 206.201 1.511 30 50 BDEA C#CCN(CC#N)C(=O)CCc1ccsc1 225601781 VZGFPFOFFCHADM-UHFFFAOYSA-N 232.308 1.666 30 50 BDEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C#CC 283736224 GETGREYDYCPUSF-ZYHUDNBSSA-N 207.273 1.107 30 50 BDEA CC1(C#N)CN(C(=O)CCC(F)(F)F)C1 336455625 YKOUSAPBEOPBGO-UHFFFAOYSA-N 220.194 1.701 30 50 BDEA CC1(C)OB(c2cccc(CCN)c2)OC1(C)C 201163882 MTFOBGWIRDEZMX-UHFFFAOYSA-N 247.147 1.487 30 50 BDEA N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CO1 1875372513 HHFIOXOPXWQFRN-NWDGAFQWSA-N 228.251 1.061 30 50 BDEA CC1(C)OB(c2cc(C#N)ncc2F)OC1(C)C 306926869 RJGGYLDRRFGYOS-UHFFFAOYSA-N 248.066 1.392 30 50 BDEA C#CCCc1cc(O)nc([C@@H](C)OCC)n1 1776003687 DPVXZOHYNQSSMY-SECBINFHSA-N 220.272 1.846 30 50 BDEA CC(=O)c1ccc(B2OCC(C)(C)CO2)cc1 201436907 SUAROXDHNRSHIA-UHFFFAOYSA-N 232.088 1.657 30 50 BDEA N#Cc1cccc(OCC(=O)NC2CC2)c1 6401709 OQPHLSSMUJRJBL-UHFFFAOYSA-N 216.240 1.216 30 50 BDEA in-vitro CC(C)(O)C#C[C@@H](O)c1cccc([N+](=O)[O-])c1 12381153 MTBHOBUEIOXYRC-LLVKDONJSA-N 235.239 1.403 30 50 BDEA C=CCOc1c(CO)cc(C)cc1CO 3130995 CFHSDNNBMCMKST-UHFFFAOYSA-N 208.257 1.544 30 50 BDEA N#CCNC(=O)c1ccc(C(F)(F)F)[nH]1 334718336 FISWNHWVISRBOW-UHFFFAOYSA-N 217.150 1.287 30 50 BDEA C[C@H](C#N)CNC(=O)N1CCC(CF)CC1 334795944 WFTWHTLOCYXPLM-SECBINFHSA-N 227.283 1.537 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C#N)o1 198572134 QJIFZOSSZOAIOP-UHFFFAOYSA-N 233.076 1.759 30 50 BDEA C=CC(=O)N(C)CCOCc1ccc(C#N)cc1 1875367350 IKMAMNNQWCGCBH-UHFFFAOYSA-N 244.294 1.719 30 50 BDEA Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CO3)c2c1 1875372968 QQAFLKZRQYDBIQ-ZDUSSCGKSA-N 244.294 1.534 30 50 BDEA Cc1ccoc1CN=C1N[C@H]2CCC[C@H]2N1 1776004813 YFAUVVNJUYPDEN-AOOOYVTPSA-N 219.288 1.558 30 50 BDEA N#C[C@H](OC(=O)/C=C/c1ccc[nH]1)C1CC1 170609482 RYVDRNQQUNDUQL-QRGHLMKCSA-N 216.240 1.873 30 50 BDEA CCn1cc(OC(=O)c2cccc(C#N)c2)cn1 192005544 FUHXHNSUEFFKIS-UHFFFAOYSA-N 241.250 1.994 30 50 BDEA N#Cc1ccc([C@H]2NCCc3[nH]cnc32)cc1 65535806 JLWMLKHWMMGNHX-GFCCVEGCSA-N 224.267 1.516 30 50 BDEA CSC(=S)N/N=C/c1ccccc1O 5640964 SATLYQNFXURMCO-UXBLZVDNSA-N 226.326 1.964 30 50 BDEA N#C/N=C1\CCCN1C(=O)c1ccccc1 6557584 RTDIEACDIPBELC-SDNWHVSQSA-N 213.240 1.802 30 50 BDEA C=CCNC[C@@H]1COc2ccccc2C1=O 96026766 GZLVIVCUBCXGSQ-SNVBAGLBSA-N 217.268 1.654 30 50 BDEA C/N=C/c1cc(OC)c(OC)c(OC)c1 2167365 BUHXDRJIZKOEFB-KPKJPENVSA-N 209.245 1.761 30 50 BDEA CN(C)[C@]1(C)CCN(c2ccc(C#N)cn2)C1 1614691839 MVAYKTHHAHTHPH-CYBMUJFWSA-N 230.315 1.484 30 50 BDEA C#CCC[C@H](O)CN[C@@H]1CCC[C@@H](C)C1 309112770 KGNJDLUITLAMPE-UPJWGTAASA-N 209.333 1.929 30 50 BDEA C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(CC)ccn1 331297681 DCSBYWUSLVGOCA-YPMHNXCESA-N 246.310 1.717 30 50 BDEA C[C@@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@H]2C)[C@]31C#N 245245542 CWFULRGXCRZMDM-QBURYCESSA-N 244.254 1.197 30 50 BDEA Cn1ccnc1/C(=N/O)c1cccc(F)c1 1775973348 QSSPGJDBOGTXSG-GXDHUFHOSA-N 219.219 1.786 30 50 BDEA O=C(c1cccc(OC[C@H]2CO2)c1)N1CCCC1 1875378477 DQAAQQXPUTWILS-ZDUSSCGKSA-N 247.294 1.700 30 50 BDEA CN(C)c1ccc(CN(CC#N)C2CC2)cn1 611265099 HTRCYRKMGFPVGU-UHFFFAOYSA-N 230.315 1.636 30 50 BDEA Cc1ccc(S(=O)(=O)OC[C@H]2CCO2)cc1 16083108 UYSILSHSVRRBST-SNVBAGLBSA-N 242.296 1.489 30 50 BDEA in-vitro N#CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 162680985 SRKUXNZMNFXIBC-QWRGUYRKSA-N 206.289 1.843 30 50 BDEA C=C[C@H]1COC(=O)N1c1ccc(C(=O)OC)cc1 15778832 UHBOGRJDHPGJJC-JTQLQIEISA-N 247.250 1.984 30 50 BDEA CC#CCN[C@@H](C)c1nnc2n1CCCC2 120120807 ZGHJBSBEJHAUTA-JTQLQIEISA-N 218.304 1.288 30 50 BDEA CCc1nc(C)c(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)o1 329043388 FCHMJSNJHUWPGK-MBTKJCJQSA-N 236.271 1.495 30 50 BDEA Cn1nc(COc2ccncc2C#N)cc1Cl 2325820484 ZRCWNQNWJVWRPC-UHFFFAOYSA-N 248.673 1.919 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)nc1 169810072 QURLLHHERKWUHA-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA in-vitro CC1=NOC(=O)[C@H]1C(C)(C)[C@H]1C(=O)ON=C1C 16955378 YFOREHVJTPMHTM-OCAPTIKFSA-N 238.243 1.110 30 50 BDEA COc1ccc(B2OC(C)(C)C(C)(C)O2)nc1 169965016 QUCFIMUSDWSHMN-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA N#Cc1csc(C(=O)Nc2ncccn2)c1 253429476 TZKBTHVCQUGDAT-UHFFFAOYSA-N 230.252 1.662 30 50 BDEA N#Cc1nccnc1N1CC[C@H](c2ccco2)C1 360143573 YITRHOHNQHMDLU-JTQLQIEISA-N 240.266 1.935 30 50 BDEA CCOC(=O)c1c(C)[nH]c(C(=O)CC#N)c1C 81225 RUPPUQZHLSCLNK-UHFFFAOYSA-N 234.255 1.905 30 50 BDEA CCC#CCN1C(=O)c2ccccc2C1=O 6731793 YGFAGDNPORPFTC-UHFFFAOYSA-N 213.236 1.696 30 50 BDEA C#CCN(C)Cc1ccc(F)c(C#N)c1 225402011 LRHWFCHXWOPCMB-UHFFFAOYSA-N 202.232 1.762 30 50 BDEA CC1=NOC(=O)/C1=C/c1ccc2c(c1)OCO2 100614881 YQZOINRTUOVWGH-RUDMXATFSA-N 231.207 1.731 30 50 BDEA Cc1nn(Cc2ccccc2)c(N)c1C#N 50032 WSSJXCYPQWLVQK-UHFFFAOYSA-N 212.256 1.694 30 50 BDEA biogenic C=C[C@@H](C)NC(=O)Nc1cncc(F)c1 336158824 FFBQBEPBONYJGD-SSDOTTSWSA-N 209.224 1.917 30 50 BDEA N#Cc1ccnc(NCCSCCCO)c1 230768948 REGRNJAJGQWSPJ-UHFFFAOYSA-N 237.328 1.481 30 50 BDEA COc1ccc(/C=N/n2cnnc2SC)cc1 440790 RASFURFYMLKELX-NTUHNPAUSA-N 248.311 1.891 30 50 BDEA C#C[C@]1(O)C[C@@H](C)NC[C@@]1(C)CCC#N 169294501 GLAUMXWUXMHJQQ-UTUOFQBUSA-N 206.289 1.043 30 50 BDEA C=CC[C@@H](C(=O)N1CCC[C@@H](C)C1)N(C)C 1875273674 AGZBZAPUDONJKK-NEPJUHHUSA-N 224.348 1.751 30 50 BDEA c1cc2c(cc1OC[C@H]1CO1)CCOC2 1875379891 YZZIOZFYHFUWLK-LBPRGKRZSA-N 206.241 1.537 30 50 BDEA O=C(NC1(c2cccc(F)c2)CC1)[C@@H]1CO1 1875373073 SXRMOILQIGBRHR-JTQLQIEISA-N 221.231 1.330 30 50 BDEA Cc1ccccc1[C@H]1NC(=O)N(CCC#N)C1=O 888097649 WDBITRSOLVWCJL-LLVKDONJSA-N 243.266 1.502 30 50 BDEA C#CCOCCOC(=O)N1CC[C@H](CC)C1 1615612780 AKEDXLNRQFUSTR-NSHDSACASA-N 225.288 1.505 30 50 BDEA C=CCOc1ccccc1/C=N/NC(=N)N 4575994 XDFOMOKHIOBVBK-RIYZIHGNSA-N 218.260 1.068 30 50 BDEA Cc1nsc(N[C@H]2C[C@H](O)C2(C)C)c1C#N 309662108 YGOJGVLZRWBBPE-IUCAKERBSA-N 237.328 1.895 30 50 BDEA C[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccn2)CO1 408403302 AMVFCMAERZUPHQ-SCZZXKLOSA-N 231.255 1.317 30 50 BDEA CC1=C2[C@H](O)C[C@@]2(C)[C@]2(O)CC(C)(C)C=C2C1=O 2332918143 LPGKCXYXGAAALV-KMUNFCNLSA-N 248.322 1.744 30 50 BDEA CCOC(=O)c1cc(C#N)c(N)c(C)c1O 157711 AREVECVPDJASFB-UHFFFAOYSA-N 220.228 1.331 30 50 BDEA Cn1cc(/C=C/C(=O)c2cnn(C)c2)cn1 6925505 VUPGUJMLAXCSJC-ONEGZZNKSA-N 216.244 1.050 30 50 BDEA C=CCNC(=O)C1CCN(C(C)C)CC1 360175661 MQTAUWILNZRVLY-UHFFFAOYSA-N 210.321 1.409 30 50 BDEA C#CCCCOc1cc(C(=N)N)ccn1 263622731 AJMXYYMXSFIQAE-UHFFFAOYSA-N 203.245 1.158 30 50 BDEA CO[C@H](C)CCC(=O)Nc1ncc(C#N)s1 864091715 HNOWXDZHCNTICR-SSDOTTSWSA-N 239.300 1.768 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C=O)[C@@H]2C1 100153645 NZZFUILVSGRYMR-BRPSZJMVSA-N 211.261 1.298 30 50 BDEA in-vitro CCOC(=O)[C@@H](C#N)c1ccc(C#N)cc1 34415759 IBVDVRMADXPBIA-NSHDSACASA-N 214.224 1.729 30 50 BDEA ON=C(Br)Br 95696873 AWBKQZSYNWLCMW-UHFFFAOYSA-N 202.833 1.521 30 50 BDEA CC1(C)OB(c2ccc(CO)s2)OC1(C)C 169748167 KWUMGVAXLIZGJS-UHFFFAOYSA-N 240.133 1.540 30 50 BDEA in-vitro CC#CC(=O)NC[C@@H](CO)Cc1ccsc1 1875363011 KRPBQKGESDZXMF-NSHDSACASA-N 237.324 1.039 30 50 BDEA C=C1CN(C(=O)NC[C@H]2CCO[C@H](C)C2)C1 1478309841 NDQLYNQFAFGNKP-MNOVXSKESA-N 224.304 1.383 30 50 BDEA N#CC1(c2ncc(Br)cn2)CC1 95803036 UAWOVWVMJPNFRJ-UHFFFAOYSA-N 224.061 1.794 30 50 BDEA in-vitro C=C[C@H]1CCN(C(=O)c2cnc(C)nc2)C1 1506400859 YOAIYWMQJNHLEA-JTQLQIEISA-N 217.272 1.433 30 50 BDEA N#CC[C@H]1CN(Cc2ccccc2)CCO1 26894950 IMCDTSZTCIFXNN-ZDUSSCGKSA-N 216.284 1.801 30 50 BDEA in-vitro C=CCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136305775 HAMXQRSEDGZKRF-AATLWQCWSA-N 223.272 1.036 30 50 BDEA in-vitro Cc1ccn(CCC2(O)CCC2)c(=O)c1C#N 334049481 RFUFXWVRBVWDKZ-UHFFFAOYSA-N 232.283 1.334 30 50 BDEA COc1ccc(C)cc1NC(=O)CC#N 6233597 BTXZTLPWQIENNR-UHFFFAOYSA-N 204.229 1.856 30 50 BDEA C[C@@H]1CCN(c2cc(C#N)ccn2)CC[S@@]1=O 287884966 UQEIFKCHGQDDHW-QGHHPUGFSA-N 249.339 1.301 30 50 BDEA CC1=C2C=C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3[C@H]2CCC1=O 254790744 GFJXYOAERZJHJG-MYDLQGKQSA-N 248.322 1.600 30 50 BDEA C=CC(=O)N[C@@H](C#N)c1ccc(OC)cc1OC 1875273648 XOMIQYVYLFOVFT-NSHDSACASA-N 246.266 1.571 30 50 BDEA C=CC(=O)NCc1ccc(C#N)c(OC)c1 1336681397 KAYXJKLYLPMGPH-UHFFFAOYSA-N 216.240 1.369 30 50 BDEA N#C[C@@H](c1ccccc1)N1CCOCC1 19419070 MWZPYQLYZXTCLZ-LBPRGKRZSA-N 202.257 1.583 30 50 BDEA in-vitro N#CCN1CCc2ccc(F)c(F)c2C1 336165352 MPEKVVFWDSADPQ-UHFFFAOYSA-N 208.211 1.846 30 50 BDEA O=CCCNC(=O)OCc1ccccc1 2548286 PQMOZOQTXKMYSK-UHFFFAOYSA-N 207.229 1.502 30 50 BDEA C[C@H](CC#CCN1CCCC1)OCCC#N 2932030 UMJOGSKUTCMTIE-CYBMUJFWSA-N 220.316 1.794 30 50 BDEA CCC1=[N+]([O-])[C@](C)(/C(C)=N/O)N(O)C1(C)C 100599209 MKTOJAMEAODMOC-VUBLIPMDSA-N 229.280 1.397 30 50 BDEA CCOC(=O)[C@@H]1C(=O)N(O)C[C@H]1c1ccccc1 3997633 UHYXCQUAAGEZRX-QWRGUYRKSA-N 249.266 1.181 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H]2O[C@H]2CC1 140450216 QNJVBPPJFXYXHP-IUCAKERBSA-N 213.277 1.785 30 50 BDEA C=CC[C@@]1(CO)CCCN(CCOCC)C1 91877054 JFAXYMZHQOSSBR-CYBMUJFWSA-N 227.348 1.674 30 50 BDEA COC(=O)COc1ccc(C#N)c(Cl)c1 190247473 LXBYHACKHQUTBW-UHFFFAOYSA-N 225.631 1.763 30 50 BDEA CCOC(=O)[C@@H](C#N)Cc1ccccc1 2046394 SYKQOFCBFHMCJV-LLVKDONJSA-N 203.241 1.932 30 50 BDEA in-vitro N#Cc1ccccc1OCCCN1CCOCC1 20639821 XQMSEXQYJTXGGL-UHFFFAOYSA-N 246.310 1.659 30 50 BDEA CCOC(=O)COc1ccccc1/C=N/O 13111959 UNSHDVGOPIHWRQ-KPKJPENVSA-N 223.228 1.437 30 50 BDEA OCCC/N=C(\S)Nc1ccccc1 2565628 TZFQXYNRNGJOJH-UHFFFAOYSA-N 210.302 1.767 30 50 BDEA CC1(C)OB(c2cccc(C(=N)N)c2)OC1(C)C 170005428 JNYSULPKPIQLCN-UHFFFAOYSA-N 246.119 1.270 30 50 BDEA CS(=O)(=O)OCC1CCC(F)(F)CC1 34542647 UJXKLTBMFWNAMI-UHFFFAOYSA-N 228.260 1.788 30 50 BDEA CC[C@@H](CC#N)NC(=O)C1SCCCS1 585087316 DMPOOKAOCZWJLV-QMMMGPOBSA-N 244.385 1.991 30 50 BDEA C=CC(=O)N1CCCc2nc(C#N)ccc21 1875368353 KYYAGTYMHFBCDS-UHFFFAOYSA-N 213.240 1.418 30 50 BDEA CN1CC2(C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 1775956509 HWPCBUPMJMXKFR-SECBINFHSA-N 223.125 1.784 30 50 BDEA CC1(C)C[C@@](C#N)(N2CCOCC2)CCO1 19336517 ABPKAJAVAVNAQC-LBPRGKRZSA-N 224.304 1.170 30 50 BDEA CC1(C)OB(c2cc(C#N)ccc2F)OC1(C)C 200010465 DCBKFUVWBRFDDD-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA N#Cc1cc(F)ccc1N[C@@H]1CC[C@H]1O 335603885 KHPNEVNAQAFAQO-GHMZBOCLSA-N 206.220 1.633 30 50 BDEA COC(=O)[C@@H](/C=N\Cc1ccccc1)[C@@H](C)O 102319640 OFNMIRBEECJQRU-WHKICVQCSA-N 235.283 1.427 30 50 BDEA C#CCCCOc1cc(C(N)=S)ccn1 263624519 RGQFYJOQERSHFV-UHFFFAOYSA-N 220.297 1.508 30 50 BDEA CC1=C[C@@]2(C)C[C@H]1[C@H]1C(=O)C=CC(=O)[C@H]12 828238035 WYEUOKRQYOEJHM-NZBQSGDWSA-N 202.253 1.913 30 50 BDEA CC#CC(=O)N(C)Cc1ccc(OC)cc1 277423031 KGIIRTAPGVRRFO-UHFFFAOYSA-N 217.268 1.677 30 50 BDEA C#CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C 191124490 KTKLUSVWRHJFPZ-UHFFFAOYSA-N 246.266 1.537 30 50 BDEA N#CCC(=N)N1CCN(c2ccc(F)cc2)CC1 4052377 ACRCBHGQGICMJH-UHFFFAOYSA-N 246.289 1.839 30 50 BDEA CC[C@@]1(C)OC(=O)N(CCC#N)[C@]1(C)O 4491447 GAFYBIUOVSDPML-NXEZZACHSA-N 212.249 1.229 30 50 BDEA C=CCSc1nnc([C@H]2CCCNC2)n1C 820497020 QTQRQMHPVZDAFR-VIFPVBQESA-N 238.360 1.560 30 50 BDEA C=CC[C@H](C)[C@@H](C)N1CCO[C@@H](C(=O)OC)C1 221785955 BMMYESWWAKQMGY-QJPTWQEYSA-N 241.331 1.461 30 50 BDEA C#CCN1[C@@H](CO)CSC[C@H]1c1ccccc1 685939719 SMAIGHQEQSUDMJ-KBPBESRZSA-N 247.363 1.771 30 50 BDEA Cc1ccc(C[C@@H](C#N)SCC(N)=O)cc1 566219944 NYLGWQNGMGRSSG-NSHDSACASA-N 234.324 1.648 30 50 BDEA Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)nn1 331987801 PSXYWDZKZJWBGV-LBPRGKRZSA-N 230.271 1.207 30 50 BDEA N#Cc1nc(CC(=O)O)oc1N1CCCCC1 1857799180 PZXJWUCBEJMITE-UHFFFAOYSA-N 235.243 1.164 30 50 BDEA N#CCc1nnc2n1-c1ccccc1CCC2 431644 PPBGGWHRRCERJT-UHFFFAOYSA-N 224.267 1.822 30 50 BDEA COC1CCN(c2cnccc2C#N)CC1 135592000 WLHGXYATVWSJRW-UHFFFAOYSA-N 217.272 1.568 30 50 BDEA C[C@H](O)CCN(C)c1cc(C#N)ccn1 135594428 DVDDREJEVKGSII-VIFPVBQESA-N 205.261 1.160 30 50 BDEA Cc1c(C#N)c2c(c[n+]1[O-])CCC[C@H]2C 72447061 WQUDPWHZCLFNDU-MRVPVSSYSA-N 202.257 1.940 30 50 BDEA COC(=O)c1cc(C#N)cc(C(=O)OC)c1 38888164 VCBJSDVXWATFEQ-UHFFFAOYSA-N 219.196 1.131 30 50 BDEA in-vitro CCOC(=O)/C(=N/Nc1ccc(C)cc1)C(C)=O 293602 KQGWOVPBXKSFOZ-NTCAYCPXSA-N 248.282 1.915 30 50 BDEA O=[N+]([O-])c1cc2c(cc1/C=N/O)OCO2 370527 QSUKJRNTONMMNX-YCRREMRBSA-N 210.145 1.132 30 50 BDEA in-vitro N#Cc1cccc(-c2cccc(C#N)n2)n1 405094 KTYGOEZHIBSNMW-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA in-vitro CN(C)CC(=O)N[C@H](C#N)C1CCCCC1 131673518 VECYNATZARPPNR-LLVKDONJSA-N 223.320 1.137 30 50 BDEA C=C[C@H]1CCN(C(=O)Cc2ccccc2O)C1 1857704949 MDFSJKUFMXJGGL-NSHDSACASA-N 231.295 1.969 30 50 BDEA C#CCN(CCOC(=O)N(C)C)C1CCCC1 158891629 OEAOFSWRFCFSSO-UHFFFAOYSA-N 238.331 1.562 30 50 BDEA CC1(C)OB(c2cnc(F)c(N)c2)OC1(C)C 201904293 WBCBEAMZUUVBPP-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA N#Cc1ccc(N[C@@H]2CC[C@H]2O)c(F)c1 335603888 KMVOTLSJYTYVTA-GHMZBOCLSA-N 206.220 1.633 30 50 BDEA CCOC(=O)[C@H]1CCc2sc(N)c(C#N)c21 4197945 RYXYACUFYJOZQH-LURJTMIESA-N 236.296 1.795 30 50 BDEA N#Cc1ccc([N+](=O)[O-])cc1Nc1cnc[nH]1 225533214 ILLAUOZYPNIMJN-UHFFFAOYSA-N 229.199 1.933 30 50 BDEA COc1nc(C#N)ccc1-n1cnc(C)c1 113221212 NCIUGYXHXBFGBU-UHFFFAOYSA-N 214.228 1.456 30 50 BDEA N#CC1(N2CCC(F)(F)CC2)COC1 223805559 LFYYUIIFTDOOOB-UHFFFAOYSA-N 202.204 1.010 30 50 BDEA CC#CC(=O)NC[C@@]1(CF)CC12CCOCC2 1875373031 SBCAWUPUKGUGDA-ZDUSSCGKSA-N 239.290 1.282 30 50 BDEA N#Cc1ccc(N[C@@H]2CCC[C@H]2O)cn1 195575426 DITIACMFQFXZLJ-GHMZBOCLSA-N 203.245 1.279 30 50 BDEA CCOc1cc(C#N)ccc1OC(C)=O 296155 IIPMFYNRTPVVIO-UHFFFAOYSA-N 205.213 1.882 30 50 BDEA in-vitro C=C(CC(=O)N1CCc2ccccc21)C(=O)O 1848442520 PPYIIVXBUNVWFV-UHFFFAOYSA-N 231.251 1.607 30 50 BDEA Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1 169743798 FBNAMBTYMSWTIB-UHFFFAOYSA-N 222.097 1.028 30 50 BDEA C=CCCCCN1CCN(CCOC)C(=O)C1 568957191 FPQMKWLQFKHRBP-UHFFFAOYSA-N 240.347 1.133 30 50 BDEA N#Cc1cc(F)ccc1N1CC[C@@H]2CNC[C@@H]21 215550155 QHXYXVXYGXVZSY-RNCFNFMXSA-N 231.274 1.495 30 50 BDEA CN(C[C@@H](C#N)CCC#N)C[C@H]1CCCOC1 246527560 GCJUYTIZMUKGJK-CHWSQXEVSA-N 235.331 1.788 30 50 BDEA CO/N=C\NC(=S)Nc1ccccc1 6624838 QWILRKHURRJTHW-UHFFFAOYSA-N 209.274 1.563 30 50 BDEA N#Cc1ccc([C@H](C#N)N2CCOCC2)cc1 37357191 XRCBMEHPDZIWES-ZDUSSCGKSA-N 227.267 1.455 30 50 BDEA C[C@H]1CN(c2ccnc(C#N)c2)CC[S@](=O)C1 287822574 QIXPFKCXGAROKL-BTDLBPIBSA-N 249.339 1.158 30 50 BDEA Cc1nnc(NC[C@H](C)CN(C)C)c(C#N)c1C 291815390 KKOBDWQRPADPMD-VIFPVBQESA-N 247.346 1.575 30 50 BDEA CC1=NNC(=O)/C1=N\Nc1ccc(F)cc1 95630009 RKTKQPCOOMNFJN-UHFFFAOYSA-N 220.207 1.099 30 50 BDEA CCCCO/C=C/C(=O)C(=O)OCC 142385270 WSQKPVMVPNBPFV-SOFGYWHQSA-N 200.234 1.449 30 50 BDEA C=CCn1c(=O)c(CO)cc2cc(C)ccc21 820505800 HXEIGJFKZDDMRA-UHFFFAOYSA-N 229.279 1.988 30 50 BDEA CN(C)c1cccc(Cn2ccnc2C#N)n1 952881068 YEIUXPPGJTUHJH-UHFFFAOYSA-N 227.271 1.264 30 50 BDEA C=C(C)Cn1cc2c(c(C#N)c1=O)CCCC2=O 585123087 ULWSATYVNHQNFW-UHFFFAOYSA-N 242.278 1.815 30 50 BDEA CCOC(=O)c1c(N)c(C#N)c2n1CCCC2 179148 BLIODJPMVYMPJT-UHFFFAOYSA-N 233.271 1.455 30 50 BDEA CC1(C(=O)NCc2cccc(C#N)c2)COC1 272778015 XJNFFLJKYPFNNK-UHFFFAOYSA-N 230.267 1.211 30 50 BDEA CC1(C)OB(c2ccc(O)c(F)c2)OC1(C)C 169747305 LMLXGCAZONOZKO-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA in-vitro Cn1ccnc1NC(=O)c1cc(F)cc(C#N)c1 1506404694 IJBLISHZTQEYLF-UHFFFAOYSA-N 244.229 1.683 30 50 BDEA COC(=O)[C@@H](C#N)[C@H]1CCOC(C)(C)C1 670419815 BSWIPSIIGDOSRV-IUCAKERBSA-N 211.261 1.504 30 50 BDEA C=CCn1c(S)nnc1-c1cccnc1 18249865 JMESIDOADDYLBB-UHFFFAOYSA-N 218.285 1.815 30 50 BDEA in-vitro COC(=O)[C@@H]1C(=O)C=C(N2CCCC2)C[C@@H]1C 5375977 LWAWNYQOTFYULG-CABZTGNLSA-N 237.299 1.364 30 50 BDEA N#CCNC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 334806872 BSLUYDHPRHMPIP-CMPLNLGQSA-N 218.231 1.511 30 50 BDEA C=CCN1C(=O)C[C@@]2(C[C@H](C)O[C@H](C)C2)C1=O 257357400 NUKRCSAADCAVFP-DDFAGTSDSA-N 237.299 1.505 30 50 BDEA COC(=O)c1cc(OC[C@H]2CO2)ccc1C 1875378452 DDXCNRJHJICHKM-JTQLQIEISA-N 222.240 1.559 30 50 BDEA CN(C)[C@H]1CCN(c2c(C#N)cccc2C#N)C1 302881306 IXYOUYQHMGTUIZ-ZDUSSCGKSA-N 240.310 1.570 30 50 BDEA CC1(C)OB(c2cc(F)ccc2N)OC1(C)C 169747306 RLUKWTHMONYTKG-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA CCOC(=O)/C(C#N)=N/Nc1cccc(F)c1 351299 JPLXQSPEWGODAK-XNTDXEJSSA-N 235.218 1.680 30 50 BDEA N#Cc1ccsc1NC(=O)CCCC(=O)O 6537075 ODEGCRDVVCVDRD-UHFFFAOYSA-N 238.268 1.813 30 50 BDEA N#CCc1ccnc(N)c1C(F)(F)F 238698750 IHIJPMIQMLQMMV-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA COCC(C)(C)C(=O)NCc1ccc(C#N)cc1 97527843 XPFCNZCZLPFSDE-UHFFFAOYSA-N 246.310 1.847 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H](C=O)C2CC1C2 2325904047 KFDBVVGMELFDEU-HWOCKDDLSA-N 225.288 1.831 30 50 BDEA C=CC[C@H](CO)NC(=O)COc1ccccc1C 241161360 KAFMMSPRBXGRQG-GFCCVEGCSA-N 249.310 1.427 30 50 BDEA O=C(N[C@@H]1CCCCc2ccccc21)[C@H]1CO1 1875373303 YDJDIGNXTSMRNY-CHWSQXEVSA-N 231.295 1.969 30 50 BDEA CC1(C)OB(c2cc(F)nc(F)c2)OC1(C)C 169905251 FUGGRIAHIVRPNM-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC[C@@]2(CO2)C1 40448605 RZXGVMMKJKHHAN-NSHDSACASA-N 213.277 1.786 30 50 BDEA in-vitro CC/N=C1/NC[C@H](C)N1Cc1ccccc1 1775996883 LQKYUKHTIIOTDG-NSHDSACASA-N 217.316 1.856 30 50 BDEA Cc1coc(Sc2cnc(C#N)cn2)n1 225633385 ZMILYJLDAIRLNH-UHFFFAOYSA-N 218.241 1.796 30 50 BDEA N#CCCN1C(=O)CN(c2ccccc2)C1=O 2529537 LTRHCTBLLAPFLS-UHFFFAOYSA-N 229.239 1.369 30 50 BDEA N#CCc1nc(C(F)(F)F)ccc1N 263625144 XDUPPEYXMHJYPY-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA C#C[C@@](C)(CC)NCC12COC(C)(C1)C2 1460134565 IEGVOPYGKXZGRV-HIFPTAJRSA-N 207.317 1.947 30 50 BDEA C#CCCC1(CCC(=O)N2CC[C@@H]2COC)N=N1 952880473 BKNWSHBKUWRCTB-LLVKDONJSA-N 249.314 1.589 30 50 BDEA CO[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 168819804 HZGJJUJIVQQYHM-ZETCQYMHSA-N 222.219 1.671 30 50 BDEA C=CCOCCCC(=O)N1CC(O)(C(C)C)C1 170607771 ZAPOIQFKZDXVIE-UHFFFAOYSA-N 241.331 1.199 30 50 BDEA CC(=O)c1cc(C(=O)NCC#N)ccc1C 193967067 QBIUPHNVBVUXJU-UHFFFAOYSA-N 216.240 1.451 30 50 BDEA N#Cc1ccc([C@@H]2NCCc3[nH]cnc32)cc1 65535810 JLWMLKHWMMGNHX-LBPRGKRZSA-N 224.267 1.516 30 50 BDEA CNCC#CCOc1ccc(C)c(C)c1 16623733 OMGXDVSXRVQXHR-UHFFFAOYSA-N 203.285 1.905 30 50 BDEA C[C@H](C#N)C(=O)N[C@H]1CCCC(F)(F)C1 335884927 PZDDMWYKSGNKBI-SFYZADRCSA-N 216.231 1.840 30 50 BDEA C=CCn1c(CCO)nc2ccccc21 8786056 LJZVRSYBIBLRAM-UHFFFAOYSA-N 202.257 1.757 30 50 BDEA O=C1C=CC(=O)C23[C@H]4C=C[C@H]5C4C4[C@@H](C=C[C@H]42)C153 104289092 GBOQAUCZOYPVJT-OLVAOUQPSA-N 236.270 1.545 30 50 BDEA CC(=O)C1=C(N2CCCCC2)CCC1=O 287584 IPFUBNPKEUIPTQ-UHFFFAOYSA-N 207.273 1.678 30 50 BDEA C=C/C(O)=N/Cc1nncn1-c1ccccc1 328594547 SMMKQEKFLNLJGM-UHFFFAOYSA-N 228.255 1.910 30 50 BDEA C=CCn1ncc(CN(C)CC2(C)COC2)c1C 820505244 DOXXGFIXLJQKMX-UHFFFAOYSA-N 249.358 1.846 30 50 BDEA CC1(C)OB(c2cscc2C#N)OC1(C)C 169904164 HXVZWNQWHLJIAI-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA in-vitro O=C1Cc2ccc(C(F)(F)F)cc2N1O 16159692 MOKZZJNBZAQOTP-UHFFFAOYSA-N 217.146 1.984 30 50 BDEA c1cc(OC[C@@H]2CO2)cc(-n2ccnc2)c1 1857779867 ULMMZKQYBGAIDF-GFCCVEGCSA-N 216.240 1.650 30 50 BDEA N#Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 37049 SLFADVLCLDZWSH-UHFFFAOYSA-N 228.211 1.711 30 50 BDEA COc1ccc2c(c1)[C@]1(CC2)O[C@@H]1C#N 306439758 HKRAIFDNGUIOIS-NEPJUHHUSA-N 201.225 1.759 30 50 BDEA O=C1C=C[C@@]2(CO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2 71786821 QZMWTKATHSHJJI-BMOFAUNVSA-N 214.264 1.723 30 50 BDEA C[C@@]1(O)CCCN(c2ccc(C#N)nc2)C1 160848730 APTSMOAMAAAMRQ-GFCCVEGCSA-N 217.272 1.304 30 50 BDEA N#Cc1cccc(CN[C@H]2CC[C@H](N)CC2)c1 255190051 UQLBVNGVSJHJMO-HDJSIYSDSA-N 229.327 1.918 30 50 BDEA COc1ccc(-c2c(C#N)cnn2C)nc1 1875340292 UYVBQGIIRKWQAW-UHFFFAOYSA-N 214.228 1.362 30 50 BDEA CC1(C)OB(c2ccc(N)c(CO)c2)OC1(C)C 170007895 WVJWLQOUWQOHRZ-UHFFFAOYSA-N 249.119 1.060 30 50 BDEA in-vitro CCOCC(=O)Nc1ccc(C#N)cc1 2734724 JUMKUPRYYWOYHL-UHFFFAOYSA-N 204.229 1.533 30 50 BDEA Cc1ccc2c(c1)N(CCC#N)C(=O)CO2 4473183 SZEGFLHUNYLAOJ-UHFFFAOYSA-N 216.240 1.634 30 50 BDEA in-vitro Cc1cc(N2CC(C)(C#N)C2)nc(C)n1 280979799 MMCPYFWUNBTDPL-UHFFFAOYSA-N 202.261 1.443 30 50 BDEA CCOC(=O)CCOCC#CCN(CC)CC 2945756 LISZXLUUYPIQFL-UHFFFAOYSA-N 241.331 1.301 30 50 BDEA C#CCOc1ccc(C(=O)N2CCOCC2)cc1 6747163 UJJWHTZNCFQAPB-UHFFFAOYSA-N 245.278 1.171 30 50 BDEA N#Cc1cnn(-c2ccccn2)c1Cl 66345476 NIXVPQMMKUUEHU-UHFFFAOYSA-N 204.620 1.792 30 50 BDEA C=CCNC(=O)[C@H]1CC(c2ccccc2O)=NO1 4505244 GAROLJWHXMYYCF-GFCCVEGCSA-N 246.266 1.187 30 50 BDEA CC1=CC(=O)/C(=C(/C)Nc2ccnn2C)C(=O)O1 227173524 QSDZCTPBOJCENJ-DHZHZOJOSA-N 247.254 1.136 30 50 BDEA COC(=O)c1ccc(OC[C@H]2CO2)c(F)c1 1875379438 QKICNLYNMCSPCH-MRVPVSSYSA-N 226.203 1.390 30 50 BDEA CC#CC(=O)NC[C@@](C)(O)c1cccs1 277693907 NWHKRTDCLJTOEK-LLVKDONJSA-N 223.297 1.095 30 50 BDEA Cc1noc(=O)n1CCOc1cccc(C#N)c1 1857528508 UFBALUKUGNTDEV-UHFFFAOYSA-N 245.238 1.095 30 50 BDEA OCC#Cc1cncc(Br)c1 6643298 FWQZFIXVXRTDRP-UHFFFAOYSA-N 212.046 1.188 30 50 BDEA in-vitro C=CCn1ncc(OC)c(Cl)c1=O 2870861 CYTGNIGLJFCWIQ-UHFFFAOYSA-N 200.625 1.091 30 50 BDEA C[C@@H]1C[C@H](C(F)F)n2ncc(C#N)c2N1 2783402 PZTDOZPYZTUGGM-IYSWYEEDSA-N 212.203 1.765 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H](C=O)C2(CC2)C1 675050712 JYMNJYSFLRQUPF-SECBINFHSA-N 225.288 1.832 30 50 BDEA N#Cc1cc(F)ccc1Cn1ncccc1=O 195420756 YZYOJAUNCMIWFG-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA C[C@H](CC#N)N(C)C(=O)c1cc(F)c[nH]1 293244289 YTPPXEKUXLQSIZ-SSDOTTSWSA-N 209.224 1.528 30 50 BDEA C=CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CO1 1875372469 GSPCWCZXBFPKLJ-CYBMUJFWSA-N 242.278 1.472 30 50 BDEA CC#CC(=O)Nc1n[nH]c(C(C)(C)C)n1 1875370083 BDNVTDQVQFAIAO-UHFFFAOYSA-N 206.249 1.064 30 50 BDEA COC(=O)c1cc(-c2cccc(C#N)c2)on1 90513791 AKKNAJJXVYKRHT-UHFFFAOYSA-N 228.207 2.000 30 50 BDEA in-vitro C=CCNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 4840697 PUAUXJCDAXNTNR-AWEZNQCLSA-N 245.278 1.460 30 50 BDEA Cc1nn(C)c(N=C(O)CCc2cnc[nH]2)c1C 329458717 RGXUZQBXMGDIIL-UHFFFAOYSA-N 247.302 1.981 30 50 BDEA CN1CC2(C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 1775956510 HWPCBUPMJMXKFR-VIFPVBQESA-N 223.125 1.784 30 50 BDEA CC#CC(=O)NCc1noc2ccc(F)cc12 1632394850 SEICSDSVOBBGPJ-UHFFFAOYSA-N 232.214 1.606 30 50 BDEA O=C(O)CC[C@H](CCCS)C(=O)O 13519041 FNLNSQHJKVQCBP-LURJTMIESA-N 206.263 1.262 30 50 BDEA in-vivo CC(=O)Oc1ccc(C#N)cc1OC(C)=O 2566125 OYRIDYHXQXSNCH-UHFFFAOYSA-N 219.196 1.409 30 50 BDEA biogenic,in-vitro CC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccccc1 435591 RKOZYHBRZUQYQF-LLVKDONJSA-N 231.251 1.601 30 50 BDEA C#C[C@H](NC(=O)NCCCF)C(C)C 225593431 VCXGRQWAFBVXQQ-VIFPVBQESA-N 200.257 1.303 30 50 BDEA N#Cc1c(O)nc(S)nc1-c1ccncc1 8730732 WJUIFCAXYLBGRS-UHFFFAOYSA-N 230.252 1.405 30 50 BDEA Cc1ccc(C2=NN(CCC#N)C(=O)CO2)cc1 6922815 IOLKREJYZINXNR-UHFFFAOYSA-N 243.266 1.429 30 50 BDEA C[C@@H]1CCN(c2cc(C#N)ccn2)CC[S@]1=O 287884974 UQEIFKCHGQDDHW-BMLIUANNSA-N 249.339 1.301 30 50 BDEA COc1ccc(CN(C(=O)[C@@H]2CO2)C2CC2)cc1 1875373107 UDHHBXSYZIJHLQ-ZDUSSCGKSA-N 247.294 1.585 30 50 BDEA CCOC(=O)/N=C/C=N/C(=O)OCC 5854446 STPPAPQQMQVSNN-NXZHAISVSA-N 200.194 1.441 30 50 BDEA Cn1c(B2OCC(C)(C)CO2)cc2ccccc21 169746107 OMVAPCDTEBSPIA-UHFFFAOYSA-N 243.115 1.947 30 50 BDEA C#C[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCC2 124034750 ARKMRTMACSUDLI-SNVBAGLBSA-N 249.335 1.475 30 50 BDEA Cc1ccc(/C=C/B2OCCNCCO2)cc1 197249409 CPKXHEJAUDGMRT-VOTSOKGWSA-N 231.104 1.672 30 50 BDEA Cc1noc(C)c1Cn1cccc(C#N)c1=O 221024476 SKASDINPQCLUSZ-UHFFFAOYSA-N 229.239 1.373 30 50 BDEA CN(C)/C=C\C(=O)c1ccccc1[N+](=O)[O-] 16980851 JZQFFGQCBWYGLB-FPLPWBNLSA-N 220.228 1.853 30 50 BDEA N/C(Cc1ccc(F)cc1Cl)=N\O 4284702 ZRXMHYFYQBAPGT-UHFFFAOYSA-N 202.616 1.768 30 50 BDEA in-vitro N#Cc1cccnc1N1CC[C@@]2(CCCN2)C1 2325798104 NABMHBIWJZIFGW-ZDUSSCGKSA-N 228.299 1.286 30 50 BDEA N#CCC(=O)N1CCCC[C@H]1C(F)F 336251085 XZDNMVYBOMQKBZ-ZETCQYMHSA-N 202.204 1.546 30 50 BDEA CC(C)(C)OC(=O)[C@@H](C#N)c1ncccc1N 95494848 SLVCCPWALYATMI-QMMMGPOBSA-N 233.271 1.613 30 50 BDEA N#CCNC(=O)c1cc2cc(F)ccc2[nH]1 259718303 UMSGJHBESMBOCY-UHFFFAOYSA-N 217.203 1.560 30 50 BDEA C=CCC[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O 134931481 MEZKZUNJDONCNA-VXGBXAGGSA-N 224.348 1.940 30 50 BDEA C#CCN(C)C/C=C/C(=O)N1C[C@@H](C)C[C@H](C)C1 1875387576 OKGOVQYEUIOTIS-AGKLADILSA-N 248.370 1.612 30 50 BDEA N#CCCn1nc(-c2ccccc2)ccc1=O 2529416 ZMIMAOBHHUTJPR-UHFFFAOYSA-N 225.251 1.824 30 50 BDEA C/N=C1\S/C(=C/c2ccco2)C(=O)N1C 33932601 IDUWJUQEVLWERS-PRNVZQMKSA-N 222.269 1.812 30 50 BDEA C=CCNc1nccc(-c2cn(C)nc2C)n1 48170779 NUPBZGHFTLYUIM-UHFFFAOYSA-N 229.287 1.783 30 50 BDEA CC1=NN(c2ccccc2)C(=O)/C1=N\O 95082490 JHTUXIJDZXONIE-XFXZXTDPSA-N 203.201 1.239 30 50 BDEA CC1(C)OB(c2c(N)cccc2F)OC1(C)C 261494837 LAKKWOYOTYQLEB-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA c1cc2c(cc1OC[C@@H]1CO1)COCC2 1875378420 CSCREUBGBWEMCZ-GFCCVEGCSA-N 206.241 1.537 30 50 BDEA CC1(C)OB(c2ccns2)OC1(C)C 169809896 UPECZVDBUMIIIL-UHFFFAOYSA-N 211.095 1.442 30 50 BDEA in-vitro CC#CC(=O)NC[C@H]1CCN(c2ccccc2)C1 764254223 PEURUWCWYRVQPU-CYBMUJFWSA-N 242.322 1.652 30 50 BDEA C=C(C)CN1CCN(CC[C@H]2CCOC2)CC1 1506424694 LCCPVRDIKSZNFR-AWEZNQCLSA-N 238.375 1.607 30 50 BDEA CC(C)(C)OC(=O)N1CC2(CC[C@@H]2C=O)C1 238176725 LKQWMJOUDZLUOM-SECBINFHSA-N 225.288 1.832 30 50 BDEA N#C[C@@H](c1ccc(O)cc1)N1CCOCC1 19537495 ALBNAZLYPCNYDM-LBPRGKRZSA-N 218.256 1.289 30 50 BDEA in-vitro C=CC[C@@]1(CO)CCCN(c2cccnn2)C1 91646097 GHPYEHCBJFCBEA-CYBMUJFWSA-N 233.315 1.632 30 50 BDEA CCOC(=O)[C@@H](C)[C@](C)(C#N)C(=O)OCC 1695184 GBHOITGWOMPVEV-KCJUWKMLSA-N 227.260 1.279 30 50 BDEA COc1ccc(C=Nn2cnnc2)cc1 6645784 BNEVLLSLBKNREQ-UHFFFAOYSA-N 202.217 1.169 30 50 BDEA CCOc1ccccc1-n1cnc(C#N)c1N 1394232 YEPJRSJNIWBKIY-UHFFFAOYSA-N 228.255 1.725 30 50 BDEA C=CC(=O)N(C)[C@H](C#N)C1(SC)CC1 1875290232 HUAODYQJPUUMTI-MRVPVSSYSA-N 210.302 1.419 30 50 BDEA C#C[C@H](NC(=O)c1ccncc1F)[C@H]1CCCO1 585139960 ROESVNJFAIGECK-NWDGAFQWSA-N 248.257 1.131 30 50 BDEA NC(=O)c1ccc[n+](CC(=O)c2cccs2)c1 2912100 MDSCOVAYFMKWLK-UHFFFAOYSA-O 247.299 1.017 30 50 BDEA CC1(C)OB(c2ccn(C(F)F)n2)OC1(C)C 575597545 CBGGJAGNGSVKHS-UHFFFAOYSA-N 244.050 1.577 30 50 BDEA C=CCNC(=O)c1ccccc1OCC(=O)O 1689809 IHBWXJXQXPFUAE-UHFFFAOYSA-N 235.239 1.066 30 50 BDEA COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N)c1 219214726 AVWZIIGPVFTKIE-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA C#Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169745971 SJDFLZSEQGKSDJ-UHFFFAOYSA-N 228.100 1.967 30 50 BDEA in-vitro CC1(C)OB(c2ccncc2)OC1(C)C 169743293 NLTIETZTDSJANS-UHFFFAOYSA-N 205.066 1.381 30 50 BDEA in-vitro O=C1C[C@@H](c2ccccc2)CC(=N\O)/C1=N\O 169621097 UFWIQFLJKIESDI-IOCWXBOQSA-N 232.239 1.794 30 50 BDEA C[C@H](CCO)Nc1ccc(C#N)cc1CO 828741420 BNJIGIMASFTWMF-SECBINFHSA-N 220.272 1.233 30 50 BDEA Cn1cnc2cnc(-c3cccc(C#N)c3)nc21 2100537577 QFFSQKWHCDCQIF-UHFFFAOYSA-N 235.250 1.902 30 50 BDEA COC(=O)C1=C(Nc2ccccc2)SCC1=O 377245 BHRLWZVAFTWUKQ-UHFFFAOYSA-N 249.291 1.799 30 50 BDEA C=CCOC[C@H](O)C[S@@](=O)CCCC 4947879 LDZJGCBPDVYSKY-IINYFYTJSA-N 220.334 1.099 30 50 BDEA CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C=O 72481747 FHKOKOKLXKRPQB-IUCAKERBSA-N 213.277 1.879 30 50 BDEA N#C[C@@H]1CCC[C@H]1NCc1nc(C2CC2)no1 241139501 JRMFBPNVHLUBPV-VHSXEESVSA-N 232.287 1.729 30 50 BDEA CCO/C(=C/C(=O)C(F)(F)F)NC1CC1 79387483 JUQPGLNLPDXVBX-VMPITWQZSA-N 223.194 1.748 30 50 BDEA CC#CC(=O)NCc1csc2nccn12 1875378545 FXZXILUFYNNYGC-UHFFFAOYSA-N 219.269 1.035 30 50 BDEA O=C([C@H]1CO1)N1CC=C(c2ccccc2)CC1 1875373224 WLXSZTCMKAXJDC-CYBMUJFWSA-N 229.279 1.701 30 50 BDEA C#CCN(C)Cc1cccc(C(=O)N(C)C)c1 170611972 KJPHQCFTWOHXPE-UHFFFAOYSA-N 230.311 1.453 30 50 BDEA C[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)nc1 195535363 QOZJNERDZMRYQU-CHWSQXEVSA-N 231.299 1.916 30 50 BDEA Cc1nnc(S)n1/N=C/c1ccccn1 5730849 JUSPHNYPSQSACE-IZZDOVSWSA-N 219.273 1.152 30 50 BDEA C=CCC[C@](C)(O)C#CCN1CCOCC1 19595335 YHKUHKFJAXVZPT-ZDUSSCGKSA-N 223.316 1.039 30 50 BDEA N#Cc1ccc(-c2ccc(C#N)cn2)nc1 34619392 HFGASMNBMUOCGQ-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA in-vitro Cc1c[n+](CC(=O)c2ccccc2)c(C)cn1 1923860 JGLCZJUSOVWJHU-UHFFFAOYSA-N 227.287 1.869 30 50 BDEA C=C(C)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 4956098 NVOBVSWSDYFEMR-UHFFFAOYSA-N 249.222 1.598 30 50 BDEA C=CCN[C@H](C)[C@H]1COc2ccccc2O1 4964901 JTFITJUNSSBSEH-ZWNOBZJWSA-N 219.284 1.991 30 50 BDEA C=C(C)CN(C)C(=O)[C@@H]1[C@H](C)C1(F)F 336018618 ZTRUJDPKXKPQFN-YUMQZZPRSA-N 203.232 1.922 30 50 BDEA CN(C)CC/N=C1\NCCN1c1ccccc1 96028154 YNKWXPDDOWCVFI-UHFFFAOYSA-N 232.331 1.014 30 50 BDEA CC#CCN(C)C1=NC[C@H]2CC[C@@H](C)CN12 2325801438 IHXICGFBHALRDY-VXGBXAGGSA-N 219.332 1.412 30 50 BDEA CN(CC1(CO)CCCC1)c1cccc(C#N)n1 670444727 FMMZVLQZGLNOQR-UHFFFAOYSA-N 245.326 1.942 30 50 BDEA CC1(C)CCc2c(c(C#N)c(O)[nH]c2=O)C1 91690685 HMAQVGUVSOKPSH-UHFFFAOYSA-N 218.256 1.467 30 50 BDEA in-vitro C=CCN1C(=O)[C@@H](CC(C)C)NC1=S 18 RATGSRSDPNECNO-MRVPVSSYSA-N 212.318 1.304 30 50 BDEA in-man Cc1nc([C@@H](C)/N=C(/O)c2cnn[nH]2)cs1 330658271 WZEODZGHFKISSD-RXMQYKEDSA-N 237.288 1.635 30 50 BDEA C=CCNC(=O)c1ccc(OCCOC)cc1 16578339 LTNCKIYJRJLDMZ-UHFFFAOYSA-N 235.283 1.628 30 50 BDEA N/N=C/c1cc(Br)ccc1F 7277589 FXVFYOCVDCKCFM-NYYWCZLTSA-N 217.041 1.881 30 50 BDEA C#C[C@](C)(CC)NC(=O)c1ccc(C(N)=O)cc1 491426205 FIOQWGPPGFEOLR-CQSZACIVSA-N 244.294 1.317 30 50 BDEA CC[C@]1(O)CCN(c2cc(C#N)ccn2)C1 588023473 FSTLXLUMYSVAEN-LBPRGKRZSA-N 217.272 1.304 30 50 BDEA CC(C)(B1OC(C)(C)C(C)(C)O1)C(N)=O 170004140 HRDJPKYXNIUHMW-UHFFFAOYSA-N 213.086 1.344 30 50 BDEA N#CCNC(=O)[C@@H]1C[C@]1(F)c1ccccc1 334806876 BSLUYDHPRHMPIP-JQWIXIFHSA-N 218.231 1.511 30 50 BDEA CC[C@H]1C[C@@H]1C(=O)N[C@@]1(C#N)CC1(C)C 1857528649 OIYIRUJPMOAKFX-HOTUBEGUSA-N 206.289 1.841 30 50 BDEA C=CCNCC[C@H]1CCC(=O)N1CCSC 12279300 ZVRTZSIFGNKHMJ-LLVKDONJSA-N 242.388 1.506 30 50 BDEA COc1cncc(C#Cc2ccccn2)c1 13487237 VRTFKUFTEWQHDD-UHFFFAOYSA-N 210.236 1.885 30 50 BDEA CCOC(=O)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2 13719863 FXCTZFMSAHZQTR-PFJVYOFESA-N 247.250 1.579 30 50 BDEA in-vitro Cc1cncc(C)c1B1OC(C)(C)C(C)(C)O1 169747077 PLCYEDJFSPVVLL-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)n1 200326642 CRVOSNAOGTZJRV-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA CCCN(CC#Cc1ccccc1)C[C@@H](O)CO 55369066 ZUZVZXQVHDATEA-OAHLLOKOSA-N 247.338 1.103 30 50 BDEA C[C@H](Oc1cccnc1)c1ccc(C#N)c(=O)[nH]1 8781635 OOBFYYJQXHFEEK-VIFPVBQESA-N 241.250 1.782 30 50 BDEA CCO[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O 222802854 VNBDXKAIGUJDEQ-KBPBESRZSA-N 246.310 1.140 30 50 BDEA CC#CC(=O)N[C@H](C1CC1)C(F)(F)F 291774649 MZKKBAAFRUPXHY-MRVPVSSYSA-N 205.179 1.467 30 50 BDEA O=C(NC1CCCCC1)c1ccc(/C=N/O)nc1 288208 BWBYLQACNHKARP-OQLLNIDSSA-N 247.298 1.952 30 50 BDEA CC(=N\O)/C(=N\O)C(=O)c1ccccc1 16982882 UFIJWQKLMBHNLN-HNWKWBPYSA-N 206.201 1.550 30 50 BDEA CC1(C)OB(c2ccc(C=O)nc2)OC1(C)C 169746805 FCWAOWVIYGJOPZ-UHFFFAOYSA-N 233.076 1.193 30 50 BDEA Cc1cc(F)ncc1B1OC(C)(C)C(C)(C)O1 169989609 OLDKXRDBCREFQC-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA CC1CN(c2nc3c(cnn3C)cc2C#N)C1 2325798471 RHZIOWDDUKZHHE-UHFFFAOYSA-N 227.271 1.296 30 50 BDEA O=C1c2cccc3cccc(c23)C(=O)N1O 156024 KTWCUGUUDHJVIH-UHFFFAOYSA-N 213.192 1.825 30 50 BDEA C[C@](O)(C#C[C@@H](O)c1cccs1)C1CC1 200835 MFICLTOGKFDEHB-PWSUYJOCSA-N 222.309 1.946 30 50 BDEA CN(C)c1cc(C#N)c(C#N)cc1[N+](=O)[O-] 4080704 PVISTEGVDYRVEM-UHFFFAOYSA-N 216.200 1.404 30 50 BDEA C=C[C@](C)(O)CC(=O)N[C@@H](CO)CC(C)(C)C 225707680 CQJRXODXSPFWDJ-MFKMUULPSA-N 243.347 1.227 30 50 BDEA N#CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281900896 QPOQMVBFGLZULN-VXGBXAGGSA-N 220.247 1.457 30 50 BDEA CC1(C)OB(c2ccc3c(c2)OCC3)OC1(C)C 169747259 WLLNCSSMFWOCNN-UHFFFAOYSA-N 246.115 1.921 30 50 BDEA in-vitro C=CCS(=O)(=O)CC(=O)Nc1ccccc1 231611 ZEIFWJOBHWTSAX-UHFFFAOYSA-N 239.296 1.226 30 50 BDEA O=S1(=O)OCC[C@@H]1Cc1ccccc1 1723875 YMDYPJRCONIRKH-SNVBAGLBSA-N 212.270 1.348 30 50 BDEA OCC/N=C(/S)NCCc1ccccc1 8683606 ZTGLIKOGAWPXQR-UHFFFAOYSA-N 224.329 1.097 30 50 BDEA O=C[C@@H]1C=Nc2nccc(Br)c21 100463573 QJWUFFHQWVUITC-YFKPBYRVSA-N 225.045 1.843 30 50 BDEA C=C(C)C(=O)N(CCCN)C(=O)OC(C)(C)C 72482144 XACRUIWMDMEPBS-UHFFFAOYSA-N 242.319 1.675 30 50 BDEA O=C1C=C2CN(C(=S)S)CC[C@@H]2S1 725375040 YHPPNVNNKLDTEQ-LURJTMIESA-N 231.367 1.475 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@H](Cc2ccccc2)C1 1875372399 FHFFVWFHXHPNOT-KGLIPLIRSA-N 245.322 1.867 30 50 BDEA CC1(C)OB(c2ccc(CO)cc2)OC1(C)C 169745841 GZZBZWITJNATOD-UHFFFAOYSA-N 234.104 1.478 30 50 BDEA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)cn1 191896382 TWOJWLPYTBSBIG-ONGXEEELSA-N 245.282 1.707 30 50 BDEA Cn1cnc2ccc(OC[C@H]3CO3)cc21 1857779863 SLSCQZGPCNHDSM-VIFPVBQESA-N 204.229 1.351 30 50 BDEA N#Cc1c(F)cccc1N[C@H]1C[C@@H](O)C1 335132122 RYMICSYTIFEGMW-OCAPTIKFSA-N 206.220 1.633 30 50 BDEA CC(=O)C[N+]1=C(C)c2ccc(C)n2CC1 1923857 VBMOFXKZXKNIQW-UHFFFAOYSA-N 205.281 1.221 30 50 BDEA N/C(=N\O)c1ccc(F)c(Br)c1 4241727 VDRMGMVSAHIQPD-UHFFFAOYSA-N 233.040 1.683 30 50 BDEA C=CCOc1ccc(C[C@@H](N)C(=O)OC)cc1 34361924 JZATVIJICRYKPA-GFCCVEGCSA-N 235.283 1.294 30 50 BDEA C=C(Br)CN1CCSCC1 52441524 JAZLDVGNYIEZRA-UHFFFAOYSA-N 222.151 1.944 30 50 BDEA in-vitro CCOC(=O)/C(C#N)=N\Nc1ccccc1OC 13112033 KAIFVTULVGBPRY-GDNBJRDFSA-N 247.254 1.550 30 50 BDEA COC(=O)c1ccccc1OC[C@H]1CO1 1717493 CDNNMNLILHWPMH-MRVPVSSYSA-N 208.213 1.251 30 50 BDEA CCCNC(=O)C[n+]1csc2ccccc21 3110178 LRXAYCVDIXVSAF-UHFFFAOYSA-O 235.332 1.715 30 50 BDEA CCOC(=O)[C@@]12C[C@H]1C(=NO)c1ccccc1O2 306146348 FXCTZFMSAHZQTR-TVQRCGJNSA-N 247.250 1.579 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CC/C(=N\O)[C@@H](F)C1 306963997 DDCRUWCZTZEPRX-ZMMCGQQISA-N 232.255 1.796 30 50 BDEA Cc1nc(N2CCC[C@H]([C@@H](C)N)C2)ccc1C#N 261582460 RFPLZISAQWJFKO-MFKMUULPSA-N 244.342 1.825 30 50 BDEA C=CCOC(=O)[C@@H]1[C@@H](C)C[C@@]2(C)C[C@H]1C(=O)O2 253575668 UWVYEALGVAJYLZ-WTBMIXGQSA-N 238.283 1.693 30 50 BDEA C#CC[C@H](CO)NC(=O)Nc1c(C)cccc1C 583651655 QJOSGNFZJRFLLJ-GFCCVEGCSA-N 246.310 1.809 30 50 BDEA CC#CC(=O)NC[C@@H]1CCCn2cc(C)nc21 1875363258 OZQCFAYFEDIJGO-NSHDSACASA-N 231.299 1.208 30 50 BDEA N/C(COc1ccccc1Br)=N\O 19472629 KJWDCSACXYFXSB-UHFFFAOYSA-N 245.076 1.574 30 50 BDEA CN(CC#N)Cc1cccc(C#N)c1F 219520339 XBVCZUUZEZTBDR-UHFFFAOYSA-N 203.220 1.653 30 50 BDEA CN(Cc1ccc(N)nc1)c1cccc(C#N)n1 127118964 DXICGIQMHJPDCV-UHFFFAOYSA-N 239.282 1.567 30 50 BDEA Cc1nc(C#N)cc(N2CCN(C(C)C)CC2)n1 308390559 ZGSMDMYHWNGJQC-UHFFFAOYSA-N 245.330 1.187 30 50 BDEA N#CCCN1C(=O)C(=O)c2ccccc21 2029243 QJBZWCHIEWPKTK-UHFFFAOYSA-N 200.197 1.130 30 50 BDEA CC1=NN(C(=O)CC#N)[C@](O)(c2ccccc2)C1 4840327 SBIWEZIVEYMXOT-CYBMUJFWSA-N 243.266 1.354 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cn1 249437586 FHIJOGVXAZKJFO-OOUKEXCNSA-N 241.294 1.159 30 50 BDEA OC1=NC[C@H](/N=C(/O)c2ocnc2C2CC2)C1 329667174 LGRPSCFHXJYLSB-SSDOTTSWSA-N 235.243 1.585 30 50 BDEA CC#CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 283917914 YEJYIFQWKMUOMJ-SECBINFHSA-N 233.267 1.168 30 50 BDEA CO[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 291427506 GOMMSHKPZMGGPX-SSDOTTSWSA-N 222.219 1.671 30 50 BDEA c1cc2c(cc1OC[C@@H]1CO1)CCOC2 1875379890 YZZIOZFYHFUWLK-GFCCVEGCSA-N 206.241 1.537 30 50 BDEA C[C@]1(c2ccccc2)COCCN1C(=O)CC#N 585087479 SYFHJNNVHHYNLE-CQSZACIVSA-N 244.294 1.674 30 50 BDEA C#C[C@H](N[C@@H]1CC[C@@H](C)C1)[C@@H]1CCCO1 170084545 VFBFWHCAKXKXKZ-NDBYEHHHSA-N 207.317 1.945 30 50 BDEA CC[C@@H](C)Cn1c(N)nc(C#N)c1C#N 170592229 ZTOIYQDYCYCCFN-SSDOTTSWSA-N 203.249 1.255 30 50 BDEA CO[C@@H](C)C/N=C(\N)NC1CCCCCC1 189390703 HYCDTCUILPRQBK-JTQLQIEISA-N 227.352 1.648 30 50 BDEA N#Cc1cnc(N2CCSCC2)c(F)c1 334716210 VIAUJVDWFMMGEN-UHFFFAOYSA-N 223.276 1.646 30 50 BDEA Cc1nnc(N/N=C/c2ccccc2O)s1 670428987 PNSSTOJRNIYQTG-IZZDOVSWSA-N 234.284 1.998 30 50 BDEA C=C(COc1cc(F)cc([N+](=O)[O-])c1)C(=O)O 2325860445 IPPIMSNZXPYHGP-UHFFFAOYSA-N 241.174 1.754 30 50 BDEA CCOC(=O)CCC(CCC(=O)OCC)=NO 5796056 GSWRUKRPEOJMPV-UHFFFAOYSA-N 245.275 1.503 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C#N 12359427 QAKRZINKSNCLEV-YUMQZZPRSA-N 214.240 1.857 30 50 BDEA in-vitro FC(F)(F)c1cncc(OC[C@H]2CO2)c1 1857780252 XBIONBGDKUYPOA-QMMMGPOBSA-N 219.162 1.878 30 50 BDEA CCCCCCCCN(CC(=O)O)CC(=O)O 1769291 IHWFWYCNJLFHPC-UHFFFAOYSA-N 245.319 1.818 30 50 BDEA N#Cc1ccccc1OCCNC[C@@H]1CCCO1 4869859 ZFSUVOBKQKHWDQ-ZDUSSCGKSA-N 246.310 1.706 30 50 BDEA C#CCOc1ccc(/C=N/O)cc1OCC 408934215 CZCYKMDUKWULRC-UKTHLTGXSA-N 219.240 1.905 30 50 BDEA N/C(=N\O)[C@H]1CC(c2ccc(F)cc2)=NO1 34929281 CELDBWJHDOPTBI-SECBINFHSA-N 223.207 1.065 30 50 BDEA Cc1nsc(N2[C@H]3CCNC[C@H]2CC3)c1C#N 333608730 XSFCNVXFEGHXDR-NXEZZACHSA-N 248.355 1.654 30 50 BDEA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(C#N)cc1 131646339 ZNFFCOQGIYBELZ-MFKMUULPSA-N 243.310 1.510 30 50 BDEA COCCCNc1ccc([N+](=O)[O-])cc1C#N 8703007 KNLJAMLDWPTMMC-UHFFFAOYSA-N 235.243 1.915 30 50 BDEA CC1(C)OB(c2cc(F)cnc2O)OC1(C)C 170006859 KKMZLKVFFMMQDS-UHFFFAOYSA-N 239.055 1.226 30 50 BDEA OCCN/N=C/c1c(Cl)cccc1Cl 71778014 DARNOOOPSNLXKQ-AWNIVKPZSA-N 233.098 1.909 30 50 BDEA CCC#CCN1CCOc2ccc(CO)cc2C1 670473094 RDOAGYNGKIPTAG-UHFFFAOYSA-N 245.322 1.787 30 50 BDEA C[C@H]1CN(c2cc(C#N)cnn2)C[C@H](C2CC2)O1 408522879 DPYZEIWDZAMVSM-JOYOIKCWSA-N 244.298 1.352 30 50 BDEA CC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169905592 DYRIBTLLHRHBGE-UHFFFAOYSA-N 247.103 1.583 30 50 BDEA in-vitro CN1C[C@H](C#N)[C@@]2(O)c3ccccc3CC[C@@H]2C1 169305886 NLKVUWURUUEGKV-VNHYZAJKSA-N 242.322 1.522 30 50 BDEA biogenic,in-vitro CN(C)C=NC(=O)c1ccc(F)cc1F 1775955840 KXWKIKVNZVWUTM-UHFFFAOYSA-N 212.199 1.695 30 50 BDEA O=C(NCc1cccc(C2CC2)c1)[C@H]1CO1 1875372404 FQUFOZHLRDKYEL-GFCCVEGCSA-N 217.268 1.579 30 50 BDEA CC1(C)OB(c2ccc3[nH]cnc3c2)OC1(C)C 169743466 HCWNKNYTHLBIHX-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA N#Cc1ccc2ncc(CN3CCCC3)n2c1 123208774 WILHPENYLJFXNO-UHFFFAOYSA-N 226.283 1.802 30 50 BDEA CC(C)[C@@](C)(O)C#CCN1CCCCC1 296444 QYXAYOSPKSMIHM-ZDUSSCGKSA-N 209.333 1.883 30 50 BDEA N#Cc1cc(Cl)ccc1OCC(=O)O 2890469 ZEAWLJJAXSSAKV-UHFFFAOYSA-N 211.604 1.675 30 50 BDEA Cc1cc(C)n2nc(CC#N)c(C#N)c2n1 1628376 MCDUPLXIZMMXMM-UHFFFAOYSA-N 211.228 1.284 30 50 BDEA CN1CC[C@@H](C/N=C(\N)Nc2ccccc2)C1 203304433 QANVLWSAWQEYBR-NSHDSACASA-N 232.331 1.365 30 50 BDEA N#Cc1ccc2c(ccn2CC(=O)O)c1 2512925 VKTAXUOHHZJUMN-UHFFFAOYSA-N 200.197 1.598 30 50 BDEA in-vitro COc1cc(/C=N/O)cc(Br)c1O 18217826 OLZJVRCDQGCCSU-ONNFQVAWSA-N 246.060 1.971 30 50 BDEA CCOc1cncc(B2OC(C)(C)C(C)(C)O2)c1 169748077 MSTJSRQLRFPSAI-UHFFFAOYSA-N 249.119 1.780 30 50 BDEA CC(C)[C@](C)(O)C#CCN1CCCCC1 296443 QYXAYOSPKSMIHM-CYBMUJFWSA-N 209.333 1.883 30 50 BDEA C[C@@H]1CCC(=O)C[C@H]1N(CC#N)CC#N 725362341 TWVJTYIBENUCHC-MWLCHTKSSA-N 205.261 1.093 30 50 BDEA N#CC1(C(=O)NC2CC(Cl)(Cl)C2)CC1 1875285977 IYSNPVHAPRSHJU-UHFFFAOYSA-N 233.098 1.743 30 50 BDEA CC[C@H](CC#N)NC(=O)c1ccnc2[nH]ncc12 1775992437 SJUBNQPLOYGMEY-MRVPVSSYSA-N 243.270 1.380 30 50 BDEA CN1CCc2c(C#N)c(N)sc(=S)c2C1 19418267 TUVFPKLMFNWQFA-UHFFFAOYSA-N 237.353 1.919 30 50 BDEA CN(C(=O)CC#N)C1CCC(F)(F)CC1 336104987 OBPWUYZTYKKEPT-UHFFFAOYSA-N 216.231 1.936 30 50 BDEA Cc1coc(C)c1/C(O)=N/Cc1nnc(C)n1C 330481194 OUPFWMZRHRVBOB-UHFFFAOYSA-N 248.286 1.838 30 50 BDEA Cc1[nH]c2ccccc2c1C=Nn1cncn1 254844813 OCYZIEXNDVLVMU-UHFFFAOYSA-N 225.255 1.950 30 50 BDEA COC(=O)c1cc(F)c(C)c(OC[C@H]2CO2)c1 1875378700 JFVXWUASMVUIBR-SECBINFHSA-N 240.230 1.698 30 50 BDEA CC(C)(C)OC(=O)NC1(C=O)CCOCC1 116811482 PURZULSTVLZMPW-UHFFFAOYSA-N 229.276 1.259 30 50 BDEA in-vitro CCOC(=O)c1cnc2c(C#N)c(C)nn2c1C 76984 XFYFPIKAFKVRDF-UHFFFAOYSA-N 244.254 1.395 30 50 BDEA C=CC[C@H](CC)NC(=O)NCc1cccnn1 241132813 JLWFOQSKWGHMPE-JTQLQIEISA-N 234.303 1.631 30 50 BDEA CC(C)(C#N)CNC(=O)N1CCC[C@@H]1CF 334575599 MGOYDLDPSIMLGB-SECBINFHSA-N 227.283 1.680 30 50 BDEA CN1CCC[C@H](NC(=O)[C@@H]2CO2)c2ccccc21 1875372757 MGWKQJHGMITILX-AAEUAGOBSA-N 246.310 1.473 30 50 BDEA C=C1CNC(=NCCc2ccc(C)o2)NC1 1776004721 VSQYINIYZLDHGI-UHFFFAOYSA-N 219.288 1.236 30 50 BDEA N#CC1(CNC(=O)CCc2ccncc2)CCC1 600843195 ZXTZDOUEDFFLPD-UHFFFAOYSA-N 243.310 1.824 30 50 BDEA C#C[C@H]1CCCN(Cc2c(C)nn(C)c2C)C1 585090896 XKKADXFCGZZGMJ-ZDUSSCGKSA-N 231.343 1.882 30 50 BDEA Cc1ccc(C(=O)C[n+]2ccn(C)c2C)cc1 15636495 PXILLBFIZLNKTK-UHFFFAOYSA-N 229.303 1.812 30 50 BDEA [O-][n+]1c2c(nn1-c1ccccc1)/C(=N/O)CCC2 18006225 ZYNLIBFRCCLRLW-GXDHUFHOSA-N 244.254 1.020 30 50 BDEA N#CCC(=O)NCCCSc1ccccn1 585087549 JQGPHHMZXYUOHV-UHFFFAOYSA-N 235.312 1.594 30 50 BDEA N#Cc1c[nH]ccc1=NC(=O)[C@H](F)CC1CC1 2325771286 XBYCOSYIOCNFTG-SNVBAGLBSA-N 233.246 1.452 30 50 BDEA C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C)C1 229225523 FOBPUHLBRIKUGJ-GHMZBOCLSA-N 210.321 1.409 30 50 BDEA C[C@H](O)C#C[C@]1(O)[C@H](C)CCCC1(C)C 247873096 MJQWBMRBYSWPQD-MDZLAQPJSA-N 210.317 1.948 30 50 BDEA Cc1ccc(C#N)c(N2CCCC[C@H](CO)C2)n1 378330549 HMTVNAQMELJNIF-LBPRGKRZSA-N 245.326 1.861 30 50 BDEA CC(C)(C)OC(=O)N[C@@H](C=O)CC1CC1 139918349 ZXCJNTBHTFXMTR-SECBINFHSA-N 213.277 1.879 30 50 BDEA CN1CCC[C@@H](NC(=O)[C@H]2CO2)c2ccccc21 1875372758 MGWKQJHGMITILX-DGCLKSJQSA-N 246.310 1.473 30 50 BDEA C#CCN(CC#N)C(=O)c1ccccc1OC 302264993 GBPMISXFDXLBPS-UHFFFAOYSA-N 228.251 1.294 30 50 BDEA C=CCOC(=O)NCCCCCCN 2563953 XSOYFVHMEXDMBW-UHFFFAOYSA-N 200.282 1.418 30 50 BDEA COc1ccnc(C#N)c1Br 260654164 VDADAMZAKWBPPE-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA COC(=O)C(=O)CC(=O)/C=C/c1ccccc1 100273959 BOROEDUUUHRRDP-BQYQJAHWSA-N 232.235 1.401 30 50 BDEA C=C/C(O)=N/[C@H](C)c1nnnn1C1CC1 328597245 GFSSGHBUFCXHOF-ZCFIWIBFSA-N 207.237 1.212 30 50 BDEA CC[C@@H](CC#N)NCc1ccnn1CC 160646019 QUSFTMLBBMPUGK-JTQLQIEISA-N 206.293 1.685 30 50 BDEA C#CCN(C)CCCNC[C@@H]1CCSC1 382096252 AJPPMNFNJCJHCB-LBPRGKRZSA-N 226.389 1.284 30 50 BDEA C#CC[C@H](NC(=O)c1ccc(CC)o1)C(=O)O 149816353 MELSEPYFYHTVBE-VIFPVBQESA-N 235.239 1.048 30 50 BDEA CC1(C)OB(c2ccc(C=O)o2)OC1(C)C 169746727 VSQZZPPWTRWPTM-UHFFFAOYSA-N 222.049 1.391 30 50 BDEA in-vitro CCN(C[C@@H](C)C#N)C(=O)c1cnnc(C)c1 330962681 ZADKTVYJFMZECE-VIFPVBQESA-N 232.287 1.407 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)c2cncnc2)C1 612804071 QACZASRCILWWIH-GFCCVEGCSA-N 230.271 1.242 30 50 BDEA CC(=O)N[C@@](C)(C#N)Cc1ccccc1 2518975 JNZYCZFKIRTRDW-GFCCVEGCSA-N 202.257 1.647 30 50 BDEA COC(=O)COc1nc(C)cc(C)c1C#N 6715982 PCOHVJUAQBXLOF-UHFFFAOYSA-N 220.228 1.122 30 50 BDEA CS[C@@H]1C(=O)Nc2c(C#N)cccc21 307357947 XPJXOUKHRIIXSG-VIFPVBQESA-N 204.254 1.914 30 50 BDEA CC#CC(=O)N[C@@]12CCC[C@@](C)(C1)OC2 1875370137 CSWTWYYFJQENPN-RYUDHWBXSA-N 207.273 1.228 30 50 BDEA C=C1CC[C@@H]1NC(=O)c1cc(O)nc(C2CC2)n1 1875308719 TWEGIUBWTKHXKT-VIFPVBQESA-N 245.282 1.508 30 50 BDEA N#Cc1cccc(CN[C@@H]2CCCN(O)C2=O)c1 585117004 ORKMQWFPLKCRGM-GFCCVEGCSA-N 245.282 1.028 30 50 BDEA C[C@@H]1C[C@@H](N(C)c2nccc(C#N)n2)CCN1C 297133089 NCOOXKJQOQEDEH-PWSUYJOCSA-N 245.330 1.267 30 50 BDEA OCCC#CCCCO[C@@H]1CCCCO1 1721993 CPWNZODBINBEET-LBPRGKRZSA-N 212.289 1.696 30 50 BDEA CCCCCCCCNC(=S)NN 2168533 HIVORGQURSSTBG-UHFFFAOYSA-N 203.355 1.685 30 50 BDEA in-vitro Cc1ccccc1OCC/N=C(/N)NC1CC1 252537767 MHAGDROOYCJYNB-UHFFFAOYSA-N 233.315 1.441 30 50 BDEA CS[C@H](C)C(=O)NC1(C#N)CCCC1 121860972 ZMDIWDDCFLSCQI-MRVPVSSYSA-N 212.318 1.690 30 50 BDEA CC(=O)C(=NNc1ccccc1)C(C)=O 123619 OTWXNFLYCUROMG-UHFFFAOYSA-N 204.229 1.633 30 50 BDEA in-vitro COc1cc(C(=O)NCC#N)ccc1F 129823511 WGWKDRJAXWHDHO-UHFFFAOYSA-N 208.192 1.088 30 50 BDEA NC(N)=Nc1nc2ccc(Cl)cc2s1 85389192 ZXLLIQSDONCKRA-UHFFFAOYSA-N 226.692 1.855 30 50 BDEA COc1ccc(B2OCC(C)(C)CO2)cc1 169806805 JTJMYIZHNJBNRY-UHFFFAOYSA-N 220.077 1.463 30 50 BDEA in-vitro N#Cc1cccc(C(=O)N2CCCC2)c1 19514358 OQALHOPGBNLNSS-UHFFFAOYSA-N 200.241 1.794 30 50 BDEA C(=N/N=C/c1ccncc1)\c1ccncc1 1693219 XLLIUDMGQNPRJS-KAVGSWPWSA-N 210.240 1.930 30 50 BDEA COC(=O)[C@@H]1O[C@@H]1c1cc(Cl)ccc1OC 1702963 UKUHRBVTJWEYBW-NXEZZACHSA-N 242.658 1.962 30 50 BDEA CCCCCCN1N=C(C)/C(=N/O)C1=O 4990168 OFGJMPUMWCYAGJ-XFXZXTDPSA-N 211.265 1.615 30 50 BDEA CC1(C)OB(c2cc(N)ccc2C#N)OC1(C)C 170008326 KGDMVKJUKFLWST-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA CC1(C)OB(c2ccc(C(=O)O)[nH]2)OC1(C)C 170010690 REBIBTWGTCPQTN-UHFFFAOYSA-N 237.064 1.012 30 50 BDEA CC[C@@H](CC#N)NC(=O)[C@H]1CCCc2[nH]ncc21 183812613 FHDCOQZZXJMGMU-UWVGGRQHSA-N 246.314 1.638 30 50 BDEA CCCCCCCC(=O)N[C@H]1CCOC1=O 43617550 JKEJEOJPJVRHMQ-JTQLQIEISA-N 227.304 1.779 30 50 BDEA biogenic,in-vivo CC1(C)OB([C@H]2[C@@H]3CNC[C@@H]32)OC1(C)C 1772718084 MIKAMCZWCPVXIR-BRPSZJMVSA-N 209.098 1.298 30 50 BDEA C#CCN(C)S(=O)(=O)c1cccc(F)c1C 192946022 GZTGPQRXTWAKQQ-UHFFFAOYSA-N 241.287 1.388 30 50 BDEA C/C(=N\O)c1ccc(OCCN(C)C)cc1 19515689 FOHLHCPZNBHTKM-JLHYYAGUSA-N 222.288 1.825 30 50 BDEA COC(=O)[C@@H](C#N)[C@@H](C#N)c1ccccc1 393758 CCUQFUPPDNKKGG-QWRGUYRKSA-N 214.224 1.607 30 50 BDEA in-vitro CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@@]21C=O 1857780849 VJNXTYPBBWDBGA-YGOYTEALSA-N 225.288 1.879 30 50 BDEA CCCCCCCCC(=O)NC[C@H](O)C(=O)O 116855166 WLHBZHRYLCECDB-JTQLQIEISA-N 245.319 1.299 30 50 BDEA C=C(C)[C@](C)(O)C#CCN1CCCCC1 296011 XRXZQXGYCABDAM-CYBMUJFWSA-N 207.317 1.803 30 50 BDEA N#CCCS(=O)(=O)Oc1ccccc1 1786821 RBDGXLKEHFXJOF-UHFFFAOYSA-N 211.242 1.309 30 50 BDEA C=CCn1nnc(NC(=O)Cc2ccccc2)n1 10010775 AAYIHVCCHCNJSG-UHFFFAOYSA-N 243.270 1.040 30 50 BDEA Cc1nc(B2OC(C)(C)C(C)(C)O2)ccc1N 170006019 OHJLHQCKLPGSEZ-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA C[C@@H]1CC[S@](=O)CCN1c1ccc(C#N)cn1 252480037 BSNPXWMKNCPFKU-QGHHPUGFSA-N 249.339 1.301 30 50 BDEA C=CC[C@]1(C(=O)O)CCCN(Cc2ncc[nH]2)C1 91770522 HKCANHQUZBWLKK-ZDUSSCGKSA-N 249.314 1.653 30 50 BDEA C=CCN(C(=O)c1n[nH]cc1Cl)C1CC1 1775987158 GGPZXWBBEXWLJK-UHFFFAOYSA-N 225.679 1.854 30 50 BDEA C[C@@H](C#N)NC(=O)c1ccc2nc(S)oc2c1 170647511 RESYFQBOPVGYFU-LURJTMIESA-N 247.279 1.758 30 50 BDEA COc1ccc2[nH]c(C(=O)NCC#N)cc2c1 190742414 CDHHZRDVOQPCPJ-UHFFFAOYSA-N 229.239 1.430 30 50 BDEA CC(C)(O)C#C[C@H](O)C#Cc1ccccc1 15684521 INIIUPXTRGUPLZ-CYBMUJFWSA-N 214.264 1.173 30 50 BDEA C=C(CN[C@H](CCCO)c1ccccc1)C(=O)O 2325851696 GSGDNUPYQLOCCS-CYBMUJFWSA-N 249.310 1.731 30 50 BDEA COc1ccc(OCC(C)=O)c(C#N)c1 4833358 MCBKRNBCUHYSJT-UHFFFAOYSA-N 205.213 1.535 30 50 BDEA FC(F)(F)c1cccc(B2OCCCO2)c1 1875251742 SGLLEQIKPTYENH-UHFFFAOYSA-N 229.994 1.838 30 50 BDEA CC#CC(=O)N[C@H](C)CC1CCOCC1 1875363202 CCVUWGUNZACOIF-SNVBAGLBSA-N 209.289 1.331 30 50 BDEA CC#CC(=O)NCc1cnc(CC(C)C)s1 1875363253 ODAFHUKSTQOPEJ-UHFFFAOYSA-N 236.340 1.981 30 50 BDEA C=C1CN(C(=O)c2cc(O)nc(C3CC3)n2)C1 1339665237 YYYQUVIPXUSKIY-UHFFFAOYSA-N 231.255 1.072 30 50 BDEA N#Cc1ccc(NCCCc2cc[nH]n2)nc1 170606500 QNGUKKALMWQRKB-UHFFFAOYSA-N 227.271 1.721 30 50 BDEA N#Cc1cccc(N2CC(C(F)(F)F)C2)n1 335233207 OPGYDCQLKNWCIG-UHFFFAOYSA-N 227.189 1.952 30 50 BDEA CCO/C=C(/C(=O)OCC)C(=O)C(F)(F)F 2582810 XNGGOXOLHQANRB-AATRIKPKSA-N 240.177 1.601 30 50 BDEA C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](C)n1cccn1 229570704 LIHKPULQHLYWOV-YNEHKIRRSA-N 245.330 1.866 30 50 BDEA COc1cc(C)cc(CNC(=O)[C@H]2CO2)c1 1875372236 AOPLNWQVPHSQDE-LLVKDONJSA-N 221.256 1.019 30 50 BDEA CCN(C[C@H](C)C#N)C(=O)c1cnnc(C)c1 330962680 ZADKTVYJFMZECE-SECBINFHSA-N 232.287 1.407 30 50 BDEA C=CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 36427943 DGEZDWGCGXHLEW-NSHDSACASA-N 249.266 1.942 30 50 BDEA in-vitro CC#CCN1CCNC(=O)C[C@H]1c1ccccc1 159483852 JIUBBLQBVVQMRZ-AWEZNQCLSA-N 242.322 1.573 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccs1 6692804 OXBRIRFGDOEMFY-SNVBAGLBSA-N 236.296 1.965 30 50 BDEA C#CCN(CC#N)C(=O)[C@H](C)Oc1ccccc1 225601871 OLMBAGYSKKGCGE-LBPRGKRZSA-N 242.278 1.439 30 50 BDEA N#C/N=C1/CCCN1CC(=O)c1ccccc1 101715738 JFURRMAKKRRIAK-SQFISAMPSA-N 227.267 1.845 30 50 BDEA N#CCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253099951 VTODMRVSKVQITH-IJLUTSLNSA-N 208.305 1.525 30 50 BDEA COc1cccc(Cl)c1CC(=O)NCC#N 153082616 ADRZNPKHDNZXTP-UHFFFAOYSA-N 238.674 1.531 30 50 BDEA N#C[C@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)N1CCCC1 1875293379 NUPFFHCYLMBTMV-WISYIIOYSA-N 246.310 1.364 30 50 BDEA C#C[C@@H]1CCCN(C(=O)c2ccncc2F)C1 585091020 LQIZQLGHRARONK-SNVBAGLBSA-N 232.258 1.706 30 50 BDEA O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@@H]1CO1 1875373405 ZZFRSHUTLMMBDL-XQQFMLRXSA-N 231.295 1.838 30 50 BDEA Cc1ccc(C)c(S(=O)(=O)CC#N)c1 5592219 JWEASBGCALEXBS-UHFFFAOYSA-N 209.270 1.601 30 50 BDEA CC#CC(=O)N[C@H](C)C(=O)OCc1ccccc1 848255381 SWLIDGSPNHVRAE-LLVKDONJSA-N 245.278 1.258 30 50 BDEA CC1=C2[C@H](O)C[C@@]2(C)[C@@]2(O)CC(C)(C)C=C2C1=O 2332918145 LPGKCXYXGAAALV-VCTAVGKDSA-N 248.322 1.744 30 50 BDEA C#CCSc1nnc(-c2ccncc2)o1 1803602 LHHVNTTVZWKMGF-UHFFFAOYSA-N 217.253 1.857 30 50 BDEA C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O 3874950 KQPKPCNLIDLUMF-MRVPVSSYSA-N 238.287 1.351 30 50 BDEA biogenic,fda CC1(C)OB(c2cnc(F)c(F)c2)OC1(C)C 169964887 VNZJHRDRAFSPLZ-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA in-vitro C[C@@H](C#N)OC(=O)c1nnc(O)c2ccccc12 747112740 QYYBSQUJCRKNPD-ZETCQYMHSA-N 243.222 1.404 30 50 BDEA COc1cccc(/C=N/n2c(C)nnc2C)c1O 228374 XFJVKBXRALYWIP-NTUHNPAUSA-N 246.270 1.491 30 50 BDEA C[C@@H]1CCN(C/C(O)=N/C[C@@H]2CCCOC2)C1 328598549 MZEBGXUAZUGNTO-NEPJUHHUSA-N 240.347 1.711 30 50 BDEA C#CCN1C(=O)S/C(=C/c2cccn2C)C1=O 12341781 XAKIANVWVARBDU-CSKARUKUSA-N 246.291 1.695 30 50 BDEA COc1ccc([C@@]2(C)O[C@H]2C#N)cc1F 307081968 PPBGTQTXFMZXAE-WDEREUQCSA-N 207.204 1.972 30 50 BDEA CC(=O)O[C@@H](C)CC#CCN1CCCC1 2472326 LURRSPSUISZTCL-NSHDSACASA-N 209.289 1.427 30 50 BDEA C#CCOC(=O)Cc1ccc(F)cc1F 4952045 ICOBOBWFTRMOQJ-UHFFFAOYSA-N 210.179 1.684 30 50 BDEA C=C1CC(CN=C2N[C@H]3CCC[C@H]3N2)C1 1776004401 RBZQXQXXFZDEJH-PHIMTYICSA-N 205.305 1.423 30 50 BDEA C=C[C@H](CC(=O)N1CC[C@@H](N)C1)c1ccccc1 577065884 FSLNTWZDRCDHNP-TZMCWYRMSA-N 244.338 1.906 30 50 BDEA C=CCN1C(=O)CS/C1=N/c1nccs1 15988007 BOTVSXRXHKVFEP-PKNBQFBNSA-N 239.325 1.892 30 50 BDEA O/N=C/c1nc(O)[nH]c1-c1ccccc1 585181710 OKVRTKRUAMXVAJ-IZZDOVSWSA-N 203.201 1.590 30 50 BDEA Cc1cc(NCc2cnn(C)n2)cc(C#N)n1 308282071 WOXKVTGHDXQJLX-UHFFFAOYSA-N 228.259 1.002 30 50 BDEA Cc1nonc1CC(=O)N1CCC[C@](C)(C#N)C1 584891138 DKMOGPLOQFYUGW-GFCCVEGCSA-N 248.286 1.073 30 50 BDEA CC1(C)OB(c2cnn(CC3CC3)c2)OC1(C)C 169745739 LJUAHBJQFILHLS-UHFFFAOYSA-N 248.135 1.592 30 50 BDEA in-vitro C#CCN(C)C(=O)c1cccc(-c2ncn[nH]2)c1 191177996 MYCNXASGWCWIJV-UHFFFAOYSA-N 240.266 1.177 30 50 BDEA O/N=C1/CCCc2c1cnn2-c1ncccn1 2325791679 MRSOUFANXFKLCT-DHDCSXOGSA-N 229.243 1.177 30 50 BDEA O=C1C=C(N2CCCC2)c2ccccc2C1=O 29559910 WAOPOGWWMWTICS-UHFFFAOYSA-N 227.263 1.889 30 50 BDEA N#Cc1ccc2[nH]cc(CN3CCOCC3)c2c1 31283793 DXVZCTCQFINTBY-UHFFFAOYSA-N 241.294 1.872 30 50 BDEA C=C(C)C(=O)OCCNC(=O)OC(C)(C)C 38327522 HZWCSJMONGVKJV-UHFFFAOYSA-N 229.276 1.630 30 50 BDEA C=C[C@@H](O)C(=O)N1CC[C@](F)(c2ccccc2)C1 614530977 GDKDJDFMJGDIDT-TZMCWYRMSA-N 249.285 1.631 30 50 BDEA Cc1cccnc1C/N=C(/O)N1CC[C@@H](CO)C1 330797336 ARLQFJBPSJXMLR-LLVKDONJSA-N 249.314 1.118 30 50 BDEA CC1(C)OB(c2cnn3ncccc23)OC1(C)C 299805333 JFIBHAMNZJFGOQ-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA COC(C)(C)CCNc1ncc(C#N)c(N)n1 824250315 XIOGHBYDJSXQBZ-UHFFFAOYSA-N 235.291 1.157 30 50 BDEA C#CCNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 193297605 ZJBDWQXUNJSLPC-NWDGAFQWSA-N 232.258 1.614 30 50 BDEA N#Cc1ccc(N[C@H]2CCC[C@@H]2CO)cn1 195535353 AXDWQTMGFVEAHG-SKDRFNHKSA-N 217.272 1.526 30 50 BDEA C#CCOC(=O)CCC(=O)NCc1ccccc1 3105971 NOMHMDAQZAFNHH-UHFFFAOYSA-N 245.278 1.259 30 50 BDEA C[C@H]1CC[S@@](=O)CCN1c1ccc(C#N)cn1 252480036 BSNPXWMKNCPFKU-DYZYQPBXSA-N 249.339 1.301 30 50 BDEA CC#CC(=O)N[C@H](C[S@@](C)=O)c1ccccc1 283294913 TWPGSCBGMCMBFC-SJKOYZFVSA-N 249.335 1.246 30 50 BDEA CO[C@](C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC1 331848419 HAMSIWZUMZNJQL-NDMJEZRESA-N 236.315 1.610 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@H]1COc1ccccc1 1875372749 MBTXKYWIGUEMOB-AAEUAGOBSA-N 247.294 1.455 30 50 BDEA COc1ccccc1C(C)(C)CNC(=O)[C@H]1CO1 1875372685 KTOZVFKGGODPCJ-GFCCVEGCSA-N 249.310 1.488 30 50 BDEA O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@H]1CO1 1875373406 ZZFRSHUTLMMBDL-YNEHKIRRSA-N 231.295 1.838 30 50 BDEA CC#CC(=O)N[C@@H](COC)c1cccc(C#N)c1 1875367001 HDEPEWLAIZMNRT-ZDUSSCGKSA-N 242.278 1.385 30 50 BDEA C=C[C@H](C)OC(=O)c1cccc(-n2cccn2)n1 187575606 KXFYWSSMGMEZTQ-JTQLQIEISA-N 243.266 1.999 30 50 BDEA N#CCC(=O)NCc1ccc(F)cc1F 92061 DTMOJQIOQZYCJV-UHFFFAOYSA-N 210.183 1.495 30 50 BDEA in-vitro N#Cc1ccc(N2CCC(CO)CC2)cc1 8729994 FVDXAMHRFMBLPT-UHFFFAOYSA-N 216.284 1.767 30 50 BDEA in-vitro COCC(=O)Nc1ccc(C#N)c(F)c1 307916326 MWSCEPQMSUVHGX-UHFFFAOYSA-N 208.192 1.282 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)c2ccc(CO)o2)C1 584890784 UMWJYYBRJVZFQG-ZDUSSCGKSA-N 248.282 1.538 30 50 BDEA C=CCNS(=O)(=O)c1cc(C)ccc1C 2656587 WFHNPCXUWVXQBX-UHFFFAOYSA-N 225.313 1.768 30 50 BDEA CC(=O)NCCCB1OC(C)(C)C(C)(C)O1 390835904 UZURERDDABLIGF-UHFFFAOYSA-N 227.113 1.605 30 50 BDEA N#C[C@]1(CO)CCN(Cc2ccccc2)C1 91305016 QRYMNVQUHVGPCK-CYBMUJFWSA-N 216.284 1.395 30 50 BDEA in-vitro CC1(C)OB(c2cnn(CCC#N)c2)OC1(C)C 169745741 LUKJAULGXVGMSP-UHFFFAOYSA-N 247.107 1.096 30 50 BDEA in-vitro N#Cc1ccc(CS(=O)(=O)NC2CC2)cc1 12996059 NNUWCTSFQYVIPZ-UHFFFAOYSA-N 236.296 1.140 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 15684878 GYXJGJPHQDXPNF-SNVBAGLBSA-N 236.296 1.965 30 50 BDEA O=C1C(O)=C([N+](=O)[O-])C(=O)c2ccccc21 19639273 MMIBDNPEOXEBAU-UHFFFAOYSA-N 219.152 1.112 30 50 BDEA C=C1C[C@@H]1CN=c1ccnc(NC[C@@H]2CC2=C)[nH]1 2325784316 SUMSOFGTAFHSGI-NEPJUHHUSA-N 242.326 1.875 30 50 BDEA CNC(=O)C1(c2ccccc2C#N)CCC1 1875321700 RMNIPHPYACYYNB-UHFFFAOYSA-N 214.268 1.726 30 50 BDEA O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CO1 1875373403 ZZFRSHUTLMMBDL-JHJVBQTASA-N 231.295 1.838 30 50 BDEA C#CCOC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2314121 YFNKJMCJUGVXNJ-VOTSOKGWSA-N 231.207 1.784 30 50 BDEA C#CCNc1ccc(C(=O)OCC)cc1 1737351 KOEHTGGSAVSLRS-UHFFFAOYSA-N 203.241 1.908 30 50 BDEA CC(=O)Nc1cccc2c1C[C@@H]1O[C@@H]1C2 44082544 LNLYKHUYGFIZOO-NEPJUHHUSA-N 203.241 1.511 30 50 BDEA O=C1C=CC(Br)=C/C1=C1/C=CNN1 135808801 WAHULEHSSFNFQX-BQYQJAHWSA-N 239.072 1.280 30 50 BDEA CCC(=O)O[C@]1(C#N)C[C@H](C)N(C)C[C@H]1C 253390133 AOXVKLXGIXLVEW-SCVCMEIPSA-N 224.304 1.562 30 50 BDEA CC#CC(=O)NCc1nc2ccc(F)c(F)c2[nH]1 1875377155 ULZKSXWOYZYPKB-UHFFFAOYSA-N 249.220 1.481 30 50 BDEA Cc1cc(CN(C)C[C@@H]2C[C@H]2C#N)no1 888096452 VPBQZCOGPVPRNP-UWVGGRQHSA-N 205.261 1.575 30 50 BDEA C=CCc1ccc(OC[C@@H](O)CO)c(OC)c1 345216 WSGHOKIAHKGCPG-NSHDSACASA-N 238.283 1.156 30 50 BDEA biogenic COc1ccc(/C=N/n2cnnc2)cc1OC 230351 DKPICALCFHAXGE-MKMNVTDBSA-N 232.243 1.178 30 50 BDEA COC1=CC(=O)[C@@]2(C)CC=CC[C@H]2C1=O 1604430 BWRSBDNPEDAAMK-UFBFGSQYSA-N 206.241 1.641 30 50 BDEA CC(/C=C/c1ccccc1)=N\NC(N)=S 4957269 AIVYBZNYDAYFOK-NJHPPEEMSA-N 219.313 1.909 30 50 BDEA C#CC(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 1775995847 HCEQQFDTGZPHGD-STQMWFEESA-N 229.279 1.736 30 50 BDEA O=[N+]([O-])c1ccccc1/C(Cl)=N\O 100009703 SQHJGNRLAWHRNE-VQHVLOKHSA-N 200.581 1.969 30 50 BDEA in-vitro C=C1CC(C)(C(=O)NO[C@@H]2CCOC2)C1 2325760198 BBFPFYRFNNZAJX-SECBINFHSA-N 211.261 1.179 30 50 BDEA CC(=O)C[C@@H](C)/N=C(/O)c1ccn(C)c(=O)c1 330572188 OEVPXMFMHCMDOJ-MRVPVSSYSA-N 236.271 1.058 30 50 BDEA c1ccc([C@@H]2OC[C@H]3OC[C@@H]4O[C@@H]4[C@@H]3O2)cc1 22056732 BYKNJRIVJRIKQC-RXGFPQBGSA-N 234.251 1.267 30 50 BDEA in-vitro N#Cc1c(NC(=O)CO)sc2c1CCCC2 1399439 NPDPASHHVULMOO-UHFFFAOYSA-N 236.296 1.429 30 50 BDEA Cc1n[nH]cc1CN(C)c1nccnc1C#N 601181483 KYWDAWMMGCFBAB-UHFFFAOYSA-N 228.259 1.016 30 50 BDEA COCCOc1cc(N)c(C#N)c(F)c1 1772768884 WXTNVANAXULWIE-UHFFFAOYSA-N 210.208 1.305 30 50 BDEA C=CCOc1cc(OC)cc(OC)c1CO 96024926 DVHAXISKUVMLSK-UHFFFAOYSA-N 224.256 1.761 30 50 BDEA in-vitro CC1(C)OB(c2cccc(O)c2F)OC1(C)C 206118718 YMBJGACWPPFGDC-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA Cc1cc(=O)c(C(=O)NC2(C#N)CCCC2)c[nH]1 219997252 NJQSGBVRKFXLTC-UHFFFAOYSA-N 245.282 1.250 30 50 BDEA C=C(C)Cn1c(CNC=O)nc2ccccc21 4809942 LTXZNEFVGFZUDK-UHFFFAOYSA-N 229.283 1.858 30 50 BDEA CC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(C)=O 4949134 BYWXTZUIIPDDFH-UHFFFAOYSA-N 249.226 1.541 30 50 BDEA CC(=O)C(=C/C=C/C=C/N(C)C)C(C)=O 22339750 JQTKEBSTCHQOIY-SBIWHPGTSA-N 207.273 1.722 30 50 BDEA CC#CCN1CCC[C@@H]1CN(C(C)=O)C1CC1 328638953 PGRAOEUJWGZIGL-CQSZACIVSA-N 234.343 1.485 30 50 BDEA N#Cc1ccc(CN2CC[C@@H](O)C2)cc1F 191995417 YDXUDWSUGLDAFV-LLVKDONJSA-N 220.247 1.264 30 50 BDEA CC#CC(=O)NC[C@@H](O)c1c(F)cccc1F 801172719 UUAVKFXIXYMXHZ-SNVBAGLBSA-N 239.221 1.138 30 50 BDEA CC(C)(C)OC(=O)N1CC2CC(C=O)(C2)C1 1857781442 SQQGAVDECKFJMV-UHFFFAOYSA-N 225.288 1.832 30 50 BDEA CC(C)C(O)(C#CCN1CCOCC1)C(C)C 19595330 GMHCCTLPXXTYKP-UHFFFAOYSA-N 239.359 1.365 30 50 BDEA C=CC1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2N)CC1 246263179 LFZITTUNHPTNRD-IGQOVBAYSA-N 248.370 1.784 30 50 BDEA C#CCCOS(=O)(=O)c1ccc(C)cc1 1705574 STOASOOVVADOKH-UHFFFAOYSA-N 224.281 1.724 30 50 BDEA in-vitro C=C/C(O)=N/Cc1cnn2ccccc12 328600167 WIGNJFFXTFGODY-UHFFFAOYSA-N 201.229 1.977 30 50 BDEA O=C(N[C@@H](CC(F)F)c1ccccc1)[C@@H]1CO1 1875372440 GGBCVAJVXKATPC-UWVGGRQHSA-N 241.237 1.898 30 50 BDEA CC#CC(=O)NCCCc1conc1C 1875377024 PZPFNHYNJBXZOV-UHFFFAOYSA-N 206.245 1.055 30 50 BDEA CN1[C@H]2CC[C@@H]1CCN(c1cccc(C#N)n1)C2 71261676 FPEYYYCMGRQRPO-OLZOCXBDSA-N 242.326 1.626 30 50 BDEA COC1CCN(c2nc(C#N)ccc2C)CC1 408518353 CHNOXOLSJHINCT-UHFFFAOYSA-N 231.299 1.877 30 50 BDEA N#CCCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281603515 GLFQWUGGPRBNLY-QWHCGFSZSA-N 234.274 1.847 30 50 BDEA C[C@@H](Nc1cc(C#N)ccn1)C(=O)NC(C)(C)C 127479528 PLNQBUBKLDNPEZ-SECBINFHSA-N 246.314 1.668 30 50 BDEA C=CCCCN(C)C(=O)c1csc(CN)n1 158405179 RTMVDSLNVBYBLV-UHFFFAOYSA-N 239.344 1.640 30 50 BDEA N/C(=N/O)c1c[nH]c2ccc(Cl)cc12 95617107 NQUMMDGIACLAOM-UHFFFAOYSA-N 209.636 1.916 30 50 BDEA O=C(N[C@H]1CCCc2c(F)cccc21)[C@H]1CO1 1875372561 IFEYZGDPZGUCAM-NWDGAFQWSA-N 235.258 1.718 30 50 BDEA COc1ccnc(Br)c1C#N 44551975 HQAHXRSUIVBUOU-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA in-vitro N#Cc1cccc(NC(=O)NC2CSC2)c1 929211767 ZEQGXFFLISSAQY-UHFFFAOYSA-N 233.296 1.795 30 50 BDEA Cc1cc(C)nc(/N=C(/N)N2CCCC[C@H]2C)n1 55490047 YSIBJCIJRKLKCC-LLVKDONJSA-N 247.346 1.914 30 50 BDEA N#Cc1cnn(-c2cc(F)cc(F)c2)c1N 49538520 JIHJPKCDPMMQFW-UHFFFAOYSA-N 220.182 1.604 30 50 BDEA CC(C)C(=NNC(N)=S)c1ccccc1 252428236 VMXPXGKCZXQSMZ-UHFFFAOYSA-N 221.329 1.880 30 50 BDEA Cn1cnc(-c2ccc(OC[C@H]3CO3)cc2)n1 1875379754 WGKLUIFEZSFRNK-NSHDSACASA-N 231.255 1.260 30 50 BDEA C[C@H](O)[C@@H]1CCN(c2cnccc2C#N)C1 161854460 AUWLJCJOCQJXFD-GXSJLCMTSA-N 217.272 1.160 30 50 BDEA C=C[C@@H](O)COS(=O)(=O)c1ccc(C)cc1 2516984 YQSCDBZHHLIPOI-SNVBAGLBSA-N 242.296 1.247 30 50 BDEA CCOC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC 4820444 KYSQRDVQYNCKNY-SECBINFHSA-N 249.266 1.897 30 50 BDEA COC(=O)/C(O)=C\C(=O)c1ccc(OC)cc1 100721167 RPIBQMMONXDJAL-YRNVUSSQSA-N 236.223 1.493 30 50 BDEA biogenic Cc1cc(O)ccc1B1OC(C)(C)C(C)(C)O1 170019617 KQELZLCLCNPDMC-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA CCCCCCCCC[C@@H](O)[C@@H](O)C(=O)O 101446954 JJIJQULYODNGKJ-GHMZBOCLSA-N 232.320 1.934 30 50 BDEA CN(C)CCCNc1ccc(C#N)nc1 122443075 FSYFJNCBKZQJKA-UHFFFAOYSA-N 204.277 1.317 30 50 BDEA CC#CC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 885478895 MJKAKEREHDXZTK-YPMHNXCESA-N 221.300 1.331 30 50 BDEA C#CCN(C)C(=O)Cc1c[nH]c2ncccc12 191146230 CQKFUCMLXVAHCU-UHFFFAOYSA-N 227.267 1.197 30 50 BDEA CCOC(=O)/C(O)=N/c1ncc(Cl)s1 2271294 MGYAUUNUBJSQPU-UHFFFAOYSA-N 234.664 1.948 30 50 BDEA CCc1nc(NCCO)c(C#N)c2c1CCCC2 19706841 AKMHGULJOWNTHI-UHFFFAOYSA-N 245.326 1.799 30 50 BDEA N#CCN(CC#N)C(=O)CCc1ccccc1 30428 RLMQFWBCJYYOGV-UHFFFAOYSA-N 227.267 1.495 30 50 BDEA C#CCN1CCC([C@@H]2CCCOC2)CC1 371648008 VUCAKINZGUXVAH-CYBMUJFWSA-N 207.317 1.758 30 50 BDEA CN(Cc1cc(C#N)n(C)c1)C[C@H]1CCCO1 191217249 BAICEOAQZDVLTN-CYBMUJFWSA-N 233.315 1.508 30 50 BDEA CC[C@H](CNCc1cccc(C#N)c1)C(=O)OC 585116622 CUMZQFNBIQVYAY-CYBMUJFWSA-N 246.310 1.847 30 50 BDEA C#C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1F 193522687 IKOMVQQGRJXFOD-SECBINFHSA-N 241.287 1.434 30 50 BDEA CC(C)(C)OC(=O)N[C@@]1(C#N)CCOC1 218619775 BQRYMWAOQMEASJ-SNVBAGLBSA-N 212.249 1.194 30 50 BDEA in-vitro C=C1CN(C(=O)NC[C@H]2Cc3ccccc32)C1 1629925488 MZGGSDREYXXWRE-GFCCVEGCSA-N 228.295 1.908 30 50 BDEA CCc1cccc(CC)c1N=C1NCCN1 13476057 IALHTUPVRAQZFI-UHFFFAOYSA-N 217.316 1.992 30 50 BDEA in-vitro CC/N=C(/S)N1CCCC[C@@H]1CO 13519308 RKWFNIPYQROVGF-MRVPVSSYSA-N 202.323 1.139 30 50 BDEA O=C1OCCN1/N=C/c1ccccc1[N+](=O)[O-] 2571658 OHYXOGZWSSNLON-YRNVUSSQSA-N 235.199 1.381 30 50 BDEA in-vitro CN1CCN(c2cccc(C#N)c2)CC1 4277363 OLELRAIMBYZQJO-UHFFFAOYSA-N 201.273 1.310 30 50 BDEA in-vitro C=CCN(CC(=O)O)Cc1ncc(Cl)s1 223292866 JMSGEHSRTJYPEE-UHFFFAOYSA-N 246.719 1.869 30 50 BDEA N#Cc1cc2c(nc1SCC(N)=O)CCC2 116657 ZFPPLOJIYNVXMV-UHFFFAOYSA-N 233.296 1.019 30 50 BDEA C=CC[P+](N(C)C)(N(C)C)N(C)C 4530663 RHAXISHYVAXXMY-UHFFFAOYSA-N 204.278 1.620 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H](C#N)C(=O)C12CC2 91690675 DNIYOGZTRAUIBF-QMMMGPOBSA-N 236.271 1.479 30 50 BDEA N#CCc1cc(O)ncc1C(F)(F)F 238683550 DLHKBRCDFNFLBP-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA CC#CC(=O)N[C@@H](CC)C(=O)c1ccccc1 1875366908 WSLSTTZRMNWJMG-LBPRGKRZSA-N 229.279 1.787 30 50 BDEA C[C@H](F)CCOC(=O)c1cc(C#N)c[nH]1 1875255910 NCTZCUFYTLVLOV-ZETCQYMHSA-N 210.208 1.791 30 50 BDEA C=C1CN(S(=O)(=O)c2ccccc2OC)C1 1616040443 JCINITVVWFJBLI-UHFFFAOYSA-N 239.296 1.256 30 50 BDEA O=C(CS)Nc1nc2ccccc2[nH]1 390687 ODOSTYLNNGBMCF-UHFFFAOYSA-N 207.258 1.431 30 50 BDEA COC(=O)[C@@H](C#N)C(=O)c1ccccc1 100062591 MHXYWUNYSPAWFW-VIFPVBQESA-N 203.197 1.182 30 50 BDEA N#Cc1ncn(C[C@H](O)c2ccc(F)cc2)n1 242147531 WSMACCCYJIGRER-JTQLQIEISA-N 232.218 1.022 30 50 BDEA O=C(NC[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F)[C@H]1CO1 1875373152 VDAOHZZPGCKFTD-UTINFBMNSA-N 245.269 1.573 30 50 BDEA CO[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 168680257 ABTNYOQSKKFHMF-ZETCQYMHSA-N 222.219 1.671 30 50 BDEA CC1(C)OB(c2cnc(N)c(F)c2)OC1(C)C 169747640 OAEDVIUUNHFXLJ-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA in-vitro CC(C)(O)C#Cc1ccc(C(=O)O)cc1 19088312 JBLUITWCDABZAF-UHFFFAOYSA-N 204.225 1.507 30 50 BDEA in-vitro N#Cc1cccn(CCC(F)(F)F)c1=O 226150058 PARZVDDHCFUMEM-UHFFFAOYSA-N 216.162 1.672 30 50 BDEA CCCCN1CC(=O)C(c2ccccc2)=C1N 3216953 CUYMWGJPFSNRLO-UHFFFAOYSA-N 230.311 1.999 30 50 BDEA Cc1nn(-c2ccccc2)c(O)c1/C=N/O 100536090 YWTGUGPWBFOVSW-KPKJPENVSA-N 217.228 1.694 30 50 BDEA COc1cccc(/C=C2\C(=O)ON=C2C)c1O 4744018 ZPUSNCWFRLJHSC-TWGQIWQCSA-N 233.223 1.717 30 50 BDEA CCCc1occc1/C(O)=N/[C@@H]1CNC(=O)C1 330372015 AAGBQTFDRMHCAA-QMMMGPOBSA-N 236.271 1.425 30 50 BDEA CCC(=O)Nc1nnc(SCC#N)s1 72333675 BPFWNWNXOGJXMA-UHFFFAOYSA-N 228.302 1.502 30 50 BDEA COc1ccc(C[C@](C)(C#N)NC(C)=O)cc1 584879931 CCBULJFLNYEIGS-CYBMUJFWSA-N 232.283 1.656 30 50 BDEA CC1(C)OB([C@@]2(C)CCNC2)OC1(C)C 1875389847 VXRXFZMMXFVSHD-NSHDSACASA-N 211.114 1.832 30 50 BDEA C#CCN(CCC1CCCC1)S(C)(=O)=O 194638833 JYNSBBLNDSYYHQ-UHFFFAOYSA-N 229.345 1.462 30 50 BDEA N#C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O 19730253 KPXHBQWNZBGRMO-MRVPVSSYSA-N 219.196 1.182 30 50 BDEA COc1ncc(B2OC(C)(C)C(C)(C)O2)s1 169811258 NNPOTMMCXYMAPM-UHFFFAOYSA-N 241.121 1.451 30 50 BDEA COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 2759363 VWCTYMCBZOOONL-MRVPVSSYSA-N 205.213 1.499 30 50 BDEA C#C[C@@H](OC(=O)c1ccnc(N(C)C)c1)C1CC1 127232638 UKYHAKQJSFJURZ-GFCCVEGCSA-N 244.294 1.716 30 50 BDEA COC[C@](C)(C#N)NC(=O)[C@H]1Cc2ccccc21 610925252 PVPNPVSLROBVNW-JSGCOSHPSA-N 244.294 1.371 30 50 BDEA Nc1nc(S)nc(O)c1N=Cc1ccccc1 242649303 SAKOXVNKDMWWLF-UHFFFAOYSA-N 246.295 1.804 30 50 BDEA N#Cc1cccc(F)c1N1CCNCC1 63772270 BSCQTNZKNNTAGP-UHFFFAOYSA-N 205.236 1.107 30 50 BDEA in-vitro CC#CC(=O)N[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(F)(F)F 1875380332 LZRHGHVKYOYNQI-MBLNEYKQSA-N 247.216 1.234 30 50 BDEA O=C(N[C@H]1CCCCc2ccccc21)[C@@H]1CO1 1875373306 YDJDIGNXTSMRNY-STQMWFEESA-N 231.295 1.969 30 50 BDEA CC#CC(=O)NC[C@H](C)c1ccsc1 1875363233 JTAWBONDBOEJHC-VIFPVBQESA-N 207.298 1.991 30 50 BDEA N#Cc1ccn2ncc(Br)c2c1 95642864 SDZVRBRVKPSFEV-UHFFFAOYSA-N 222.045 1.968 30 50 BDEA in-vitro N/C(S)=N\N=C\c1c[nH]c2ccccc12 15988077 RZOVCYGQNDYSCH-AWNIVKPZSA-N 218.285 1.746 30 50 BDEA in-vitro CC1(C)OB(c2cc(C(=O)O)co2)OC1(C)C 169904195 PFOYZUYJHLSIRL-UHFFFAOYSA-N 238.048 1.277 30 50 BDEA C=CCc1ccccc1O[C@H](C)/C(N)=N/O 4948849 CNQKDEDTDGWIIM-SECBINFHSA-N 220.272 1.929 30 50 BDEA CC(=O)/C=C1/C(=O)N(C)c2ccccc21 29043655 CZKBLHCEDVWPRN-JXMROGBWSA-N 201.225 1.635 30 50 BDEA in-vitro N#Cc1ncn(CC2CCC(F)(F)CC2)n1 334580187 RXNWLVXJJNRMKN-UHFFFAOYSA-N 226.230 1.975 30 50 BDEA CCC#CCN1CCN(c2ccccc2)C(=O)C1 670470263 NZSYYPFVWMNXNS-UHFFFAOYSA-N 242.322 1.749 30 50 BDEA CO[C@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)c1 588012269 LAQZPYPTFAFKQJ-MFKMUULPSA-N 231.299 1.602 30 50 BDEA N#Cc1ccc(C(=O)OC[C@]2(F)CCOC2)[nH]1 810922188 FHPYFIYRJMOQFJ-NSHDSACASA-N 238.218 1.172 30 50 BDEA O=CN1CCCN(CC#Cc2ccccc2)CC1 298158368 SFJXCMGFNMNKIJ-UHFFFAOYSA-N 242.322 1.202 30 50 BDEA CSCC(=O)Nc1ccc(C#N)c(F)c1 307962275 NBKSIIPCQJBKEB-UHFFFAOYSA-N 224.260 1.999 30 50 BDEA CC1(C)C(=O)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1 4751686 AXFSGAGJHJHOBM-QWRGUYRKSA-N 242.278 1.593 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](S)C[C@@H]1C(=O)O 212948103 CJGXPXFOEKLTEP-NKWVEPMBSA-N 247.316 1.379 30 50 BDEA N#CCc1ccc(N2C(=O)CCC2=O)cc1 151730 USBFWFQGWQKLSS-UHFFFAOYSA-N 214.224 1.406 30 50 BDEA C#CCN(CC#N)C(=O)c1ccc(C=C)cc1 225625072 XJLJOFPFPCFIDD-UHFFFAOYSA-N 224.263 1.929 30 50 BDEA CC(C)(C)OC(=O)NCC/N=C1/C=CC(=O)O1 307649769 ITWAJLIBUVSNFM-WQLSENKSSA-N 240.259 1.023 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)CC#N)C1 95707472 PCLWTBWRXMOPOV-SECBINFHSA-N 238.287 1.726 30 50 BDEA C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1 952892549 OKTZWYKMODVIDX-RNCFNFMXSA-N 244.298 1.234 30 50 BDEA CC#CC(=O)N(CC#N)Cc1ccccc1 1179751576 HHUQXABTDMARRF-UHFFFAOYSA-N 212.252 1.562 30 50 BDEA CC(C)(C#N)N1CCN(C(C)(C)C#N)CC1 38342093 JAZFVYAYXCWTIK-UHFFFAOYSA-N 220.320 1.208 30 50 BDEA in-vitro COc1ccccc1[C@@H](C#N)N1CCO[C@@H](C)C1 170594290 WYTIIKVHAWXCFW-WCQYABFASA-N 246.310 1.981 30 50 BDEA C#CCN(C)C(=O)c1cc2ccccc2[nH]c1=O 191041989 DWCOGAGDHSVYJI-UHFFFAOYSA-N 240.262 1.233 30 50 BDEA C#CCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C 192232241 XRDKHCJIOMNLFH-VXGBXAGGSA-N 222.332 1.246 30 50 BDEA C[C@H]1CN(c2cccnc2C#N)C[C@H](C)S1=O 570254712 RLPXHNNYCXYJCB-UWVGGRQHSA-N 249.339 1.299 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N 201902771 NSWWPEOEZRGFNZ-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA in-vitro COc1cccc(C#N)c1B1OCC(C)(C)CO1 169794552 KQEYALGDGSYUCE-UHFFFAOYSA-N 245.087 1.335 30 50 BDEA C=CCc1ccc(OCC(=O)O)c(OC)c1 185753 FQBPCNCFOCPCJP-UHFFFAOYSA-N 222.240 1.887 30 50 BDEA biogenic,in-vitro Cc1ccc(S(=O)(=O)OCCC#N)cc1 1628366 JRGDCDUZKXETSW-UHFFFAOYSA-N 225.269 1.614 30 50 BDEA in-vitro C[C@@H]1C[C@H](O)CN1c1ccc(C#N)cc1F 334803470 AJYRKWDFRVMZKB-SCZZXKLOSA-N 220.247 1.657 30 50 BDEA O=C1C=C[C@@H](OC(=O)c2ccccc2)OC1 34623349 YAUKGDKPHTTWIQ-LLVKDONJSA-N 218.208 1.325 30 50 BDEA Cc1cc(=O)n(C)c2cc(OC[C@@H]3CO3)ccc12 1875379317 PSNZQVUDXQOUBH-LLVKDONJSA-N 245.278 1.625 30 50 BDEA CC(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1 169747175 FBCZPBPTNCLUII-BQYQJAHWSA-N 212.098 1.945 30 50 BDEA in-vitro CO[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@H]1C 187887936 ZYNNWAYHUMWKRF-NXEZZACHSA-N 224.304 1.420 30 50 BDEA COc1c(C#N)c(C(F)(F)F)nn1C 166285 FGQVEXCRWSHQDT-UHFFFAOYSA-N 205.139 1.319 30 50 BDEA CC(=O)c1cc(C#N)c(SCC(N)=O)nc1C 440739 FDDBJVUZBNKEFV-UHFFFAOYSA-N 249.295 1.042 30 50 BDEA CS(=O)(=O)OC1Cc2ccccc2C1 1596634 CFIDFVNAHVRFGT-UHFFFAOYSA-N 212.270 1.130 30 50 BDEA Cc1cccc(S(=O)(=O)N(C)C)c1C#N 130388279 JBQLFMGYMRWOCG-UHFFFAOYSA-N 224.285 1.117 30 50 BDEA CC1(C)OB(c2cnc3c(c2)OCO3)OC1(C)C 253406317 UJZKCSUOWLEUTH-UHFFFAOYSA-N 249.075 1.110 30 50 BDEA Cc1ccccc1[C@@H]1NC(=O)N(CCC#N)C1=O 888097650 WDBITRSOLVWCJL-NSHDSACASA-N 243.266 1.502 30 50 BDEA C=C(CC)Cn1cnc2cnn(CC)c2c1=O 631020120 VYKWPEJLTHUNAG-UHFFFAOYSA-N 232.287 1.579 30 50 BDEA CC(C)C[C@H](C/N=C(\N)N(C)C)N1CCCC1 170910301 QEQJXBRYNPJILT-GFCCVEGCSA-N 240.395 1.373 30 50 BDEA COc1c(Br)ccc(N)c1C#N 150326475 OFZDOFMICXMFPK-UHFFFAOYSA-N 227.061 1.912 30 50 BDEA in-vitro N#CC1CN(c2cnc3ccccc3n2)C1 390828954 CKDJHSCLBXJJNJ-UHFFFAOYSA-N 210.240 1.590 30 50 BDEA N/C(=N\OC(=O)c1cccs1)c1ccccn1 18284013 ASDHSSKOHJPZJK-UHFFFAOYSA-N 247.279 1.620 30 50 BDEA Cc1cnc(Nc2oncc2C#N)nc1N(C)C 2100480215 AREJXFMXQJASRC-UHFFFAOYSA-N 244.258 1.454 30 50 BDEA CCOC(=O)c1c(N)c(C#N)c2n1CCCCC2 179154 GOBOLQOWNZUPJU-UHFFFAOYSA-N 247.298 1.845 30 50 BDEA CS[C@H]1C(=O)Nc2c(C#N)cccc21 307357945 XPJXOUKHRIIXSG-SECBINFHSA-N 204.254 1.914 30 50 BDEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1 281645999 YHMNJEDOFGADDO-CHWSQXEVSA-N 246.310 1.793 30 50 BDEA C[C@H](C[C@@H]1CCCO1)/N=C(/O)[C@H]1CCNC1 328595871 HPEJHJYUHYBPEO-VWYCJHECSA-N 226.320 1.510 30 50 BDEA C#C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 38236561 DPZQSYOKTUMHNY-SECBINFHSA-N 225.288 1.992 30 50 BDEA N#CCc1ccc(N)nc1C(F)(F)F 238584857 ZRVIJIGCIBJBJI-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA CC#CC(=O)N[C@H](CC)c1cccc(OC)n1 1875378870 KQRKGUIRYUYUCP-SNVBAGLBSA-N 232.283 1.681 30 50 BDEA C#CCN(C)C(=O)CCCc1csc(C)n1 191054052 JUAUQDRJCWKTGF-UHFFFAOYSA-N 236.340 1.866 30 50 BDEA O=[N+]([O-])c1ccc(/C=N/N2CCSCC2)o1 5716228 ZVCXXSSWHIKTAW-JXMROGBWSA-N 241.272 1.571 30 50 BDEA N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)O 35297713 JFMOBZGNIDTMSW-CYBMUJFWSA-N 244.294 1.997 30 50 BDEA in-vitro N#Cc1cccc(CN2CC(CF)C2)c1 335248311 OXQJUZMICOIWQS-UHFFFAOYSA-N 204.248 1.960 30 50 BDEA C=CC[C@@]1(CO)CCCN(CCCCO)C1 91756276 IMPXQRXGWMWQMK-CYBMUJFWSA-N 227.348 1.410 30 50 BDEA CCOC(=O)C[n+]1ccc(-c2ccncc2)cc1 4542417 UFXXVWYKTSMZFO-UHFFFAOYSA-N 243.286 1.599 30 50 BDEA C#C[C@H](NC(=O)N[C@H]1CC[C@H](OC)C1)C(C)C 225594472 LMPGQDAQCZCJOQ-SRVKXCTJSA-N 238.331 1.511 30 50 BDEA COc1ccc2nccc([C@@H]3CO3)c2n1 113850668 VFUFXHFSNCESKR-VIFPVBQESA-N 202.213 1.710 30 50 BDEA CC#CC(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 283294916 TWPGSCBGMCMBFC-YVEFUNNKSA-N 249.335 1.246 30 50 BDEA Cc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 202367465 IOQBBQJUIKHJHI-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA CC1(C)OB(c2ccc3cn[nH]c3c2)OC1(C)C 169745263 YDWZPHAJTNZBEG-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro COc1ccccc1B1OCC(C)(C)CO1 169806807 BEQHZRSAYLTONI-UHFFFAOYSA-N 220.077 1.463 30 50 BDEA in-vitro NC(=S)N/N=C/c1c(O)ccc2ccccc12 13638807 INVDVNVYLCEPSF-VGOFMYFVSA-N 245.307 1.713 30 50 BDEA CC#CCN1CCNC(=O)C[C@@H]1c1ccccc1 159483717 JIUBBLQBVVQMRZ-CQSZACIVSA-N 242.322 1.573 30 50 BDEA CC/C(Cc1ccccc1)=N/NS(C)(=O)=O 4990015 MIPZMARNYULJDG-QXMHVHEDSA-N 240.328 1.544 30 50 BDEA CC1(C)OB(c2ccc(S)nc2)OC1(C)C 170006870 SDHNOTKZKXIVAD-UHFFFAOYSA-N 237.133 1.670 30 50 BDEA O=C(N[C@@H]1C[C@]12CCc1ccccc12)[C@@H]1CO1 1875372382 FACLNQYENHJKBS-SCRDCRAPSA-N 229.279 1.158 30 50 BDEA COc1ccc(C[C@@H]2CCN2C(=O)[C@@H]2CO2)cc1 1875372293 CCBZSLIUFOUCDA-AAEUAGOBSA-N 247.294 1.237 30 50 BDEA N#CCc1cc(C(F)(F)F)c(O)nn1 12506002 ORJHOVVSZMQJMK-UHFFFAOYSA-N 203.123 1.267 30 50 BDEA CC(C)(O)C#Cc1cccc(C(=O)O)c1 19088315 VKXLALQKRXWOJK-UHFFFAOYSA-N 204.225 1.507 30 50 BDEA biogenic,in-vitro N#Cc1ccnc(N2CCC[C@H](F)C2)c1 334333787 VMOGBWSZKPYTOA-JTQLQIEISA-N 205.236 1.892 30 50 BDEA N#Cc1cccnc1N1CCC[C@H]2CNCC[C@H]21 715017610 LMCLFDUTUUTXSD-QWHCGFSZSA-N 242.326 1.532 30 50 BDEA CN(CCO)c1oc(-c2ccccc2)nc1C#N 2050025069 RAIAIXLSAAUEQJ-UHFFFAOYSA-N 243.266 1.642 30 50 BDEA CC1(C)OB(c2cccc3nc[nH]c23)OC1(C)C 170005676 KXZFBGYHLMGGJF-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA C=C(C)CC[C@H](C)NCCc1nnc(N)s1 65426688 UHYVRTCBEZJFKB-VIFPVBQESA-N 240.376 1.997 30 50 BDEA C[C@@H]1C[C@H](C=O)CN1C(=O)OC(C)(C)C 238450833 JGJBPKGWOWFJFN-BDAKNGLRSA-N 213.277 1.831 30 50 BDEA Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1C 306507102 WZZLHSUYKCCSOH-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA C=CCNC(=O)COc1ccc(F)cc1 19935030 NLEAFQMSQXUXHJ-UHFFFAOYSA-N 209.220 1.507 30 50 BDEA CC#CC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 801176530 IYAMATLFDIQTIJ-YPMHNXCESA-N 231.295 1.118 30 50 BDEA CC#CC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 801176529 IYAMATLFDIQTIJ-WCQYABFASA-N 231.295 1.118 30 50 BDEA COc1ccc(C=CC=NNC(N)=S)cc1 2053556459 ORFNREOSBWPYJL-UHFFFAOYSA-N 235.312 1.527 30 50 BDEA CC(=O)C1=CNC(=O)N[C@@H]1c1ccccc1 6604207 HIKJBWFESLXHJT-LLVKDONJSA-N 216.240 1.513 30 50 BDEA N#Cc1cccc(CN2C[C@@H](F)C[C@H]2CO)c1 334267139 NPHNHEQTRBOZAB-STQMWFEESA-N 234.274 1.463 30 50 BDEA CCOC(=O)c1cc(NC(=O)CC#N)ccc1O 294336158 JLUPNOBETQYSEO-UHFFFAOYSA-N 248.238 1.421 30 50 BDEA Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 252679339 LBIBVRVLWYKSPV-UHFFFAOYSA-N 232.312 1.881 30 50 BDEA CC1(C)OB(c2ccccc2C=O)OC1(C)C 169743477 SLJMPQLPRHIAOM-UHFFFAOYSA-N 232.088 1.798 30 50 BDEA in-vitro CCn1ncc(C(=O)N(C)[C@@H](C)CC#N)c1C 601036428 CHFKFCZALVFCFZ-VIFPVBQESA-N 234.303 1.586 30 50 BDEA O=C(O)C#CC1CCC2(CC1)OCCO2 1772715741 GRPIOSUHXGSWLU-UHFFFAOYSA-N 210.229 1.008 30 50 BDEA C[C@H]1SC(/N=C/c2ccco2)=NNC1=O 4531389 MPDUWFOCCANCNW-XREMMQICSA-N 223.257 1.221 30 50 BDEA N#Cc1ccc(N2CCC[C@@H](F)C2)cn1 336025334 HVEUQLUNSKMLCZ-SECBINFHSA-N 205.236 1.892 30 50 BDEA C=CCn1c(CNC=O)nc2ccccc21 4810362 JNNRAFQRMDSCEH-UHFFFAOYSA-N 215.256 1.468 30 50 BDEA COc1ccc(OC)c([C@]2(C)O[C@@H]2C#N)c1 309495151 KSOMTNLFCACHNE-NEPJUHHUSA-N 219.240 1.841 30 50 BDEA O/C(=N/Cc1csc(O)n1)[C@H]1CCCO1 328826983 IEFAXMMRMFJTMH-SSDOTTSWSA-N 228.273 1.484 30 50 BDEA N#C[C@H](c1cscn1)N1CCOCC1 126728640 NAAZCFFWMHFVPO-SECBINFHSA-N 209.274 1.040 30 50 BDEA O=C1C=C[C@]23C[C@@H]4O[C@H]4C[C@]2(C1)C[C@H]1O[C@H]1C3 257359098 YLAHPFRJAQDBQQ-QEHJDLSMSA-N 232.279 1.611 30 50 BDEA N#CCC(=O)c1nc(C2OCCO2)cs1 757124688 NSUUHAMDESLHQL-UHFFFAOYSA-N 224.241 1.285 30 50 BDEA COC(=O)CN1CCc2cc(C#N)ccc21 408524726 YIQAOYJVIGFFOF-UHFFFAOYSA-N 216.240 1.094 30 50 BDEA C=CCC(C)(C(=O)OCC)C(=O)OCC 3074847 CWGGTBZQRNZEEF-UHFFFAOYSA-N 214.261 1.695 30 50 BDEA in-vitro CC1(C)OB(c2cccc(C#N)c2O)OC1(C)C 206121717 ZSPFGKYIIPZZJH-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA CC#CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 283308036 UWKYDOSYHLEBGD-ZFWWWQNUSA-N 242.322 1.571 30 50 BDEA CC1(C)OB(/C=C2/CCCNC2)OC1(C)C 1772795187 UQEQCMGUFUZYKQ-NTMALXAHSA-N 223.125 1.928 30 50 BDEA CC#CC(=O)NCc1c(CC)noc1CC 278422459 QVOOQEIRVHVRLU-UHFFFAOYSA-N 220.272 1.439 30 50 BDEA CC1(C)CN(c2ccc(C#N)nc2)C[C@@H]1O 279387513 HSYFMYUSRFLLHH-NSHDSACASA-N 217.272 1.160 30 50 BDEA COc1cccc(/C=C/C(=O)C(=O)O)c1 2154774 TZBQCGQSQBDNCY-AATRIKPKSA-N 206.197 1.362 30 50 BDEA in-vitro C=CCOC(=O)Cn1c(=O)sc2ccccc21 5495014 JMWVBDDATPMKRH-UHFFFAOYSA-N 249.291 1.792 30 50 BDEA CC1(C)OB(c2ccc(N)c(O)c2)OC1(C)C 203549211 OBFRRDXTOAXUDF-UHFFFAOYSA-N 235.092 1.274 30 50 BDEA Cc1nnc(CN2CCC[C@@](C)(C#N)C2)s1 612158221 IMKKRYCPYURIOB-NSHDSACASA-N 236.344 1.972 30 50 BDEA C#C[C@H](C)N(C)Cc1c[nH]c(C(=O)OC)c1 225587517 LZVCNCCJUSDDGQ-VIFPVBQESA-N 220.272 1.255 30 50 BDEA C=CC[C@@H](C(=O)N1CCC[C@H](C)C1)N(C)C 1875273676 AGZBZAPUDONJKK-RYUDHWBXSA-N 224.348 1.751 30 50 BDEA C=CCNC(=O)CN[C@@H]1CC(C)(C)C[C@H]1C 193146166 HVKVDVOLCZNDGD-GHMZBOCLSA-N 224.348 1.703 30 50 BDEA N#CCN1C[C@H](O)C[C@H]1c1cccc(F)c1 281900893 QPOQMVBFGLZULN-NEPJUHHUSA-N 220.247 1.457 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=O)C1 95942499 PUTOENHGHDTSSY-KCJUWKMLSA-N 211.261 1.442 30 50 BDEA in-vitro C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(C#N)cc1 131646542 ZNFFCOQGIYBELZ-GWCFXTLKSA-N 243.310 1.510 30 50 BDEA C=C(C)CNC(=S)Nc1cccc(N)n1 13520036 WMTCAESMDUPUHW-UHFFFAOYSA-N 222.317 1.526 30 50 BDEA C=CCc1ccccc1OC[C@@H](O)CN 235991 UMICLKXVMGFSMI-NSHDSACASA-N 207.273 1.114 30 50 BDEA C/C(=N\NC(N)=S)c1ccc(C)cc1 502706 CLXMWTWYQLEKAI-XYOKQWHBSA-N 207.302 1.552 30 50 BDEA O=C1C=CC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@H]43)[C@@H]12 104291535 BNYIXTDUIJYRGD-UZLPWNJGSA-N 212.248 1.545 30 50 BDEA C#CCN(CC#N)C(=O)CCc1ccccc1 281517679 LCXQOJYLNIMRQY-UHFFFAOYSA-N 226.279 1.605 30 50 BDEA C=C(OC)[C@@H](C(=O)OC)[C@@H](O)c1ccccc1 43199168 ZZJKSQURLGQKBV-NEPJUHHUSA-N 236.267 1.669 30 50 BDEA Cc1cccc(CN2C[C@@H](/C(N)=N/O)CC2=O)c1 221630669 YJWMNHVICCUOTH-NSHDSACASA-N 247.298 1.090 30 50 BDEA C#C[C@H](C)NS(=O)(=O)CC1CCCCC1 167045495 ATOJPMGZRFZULD-JTQLQIEISA-N 229.345 1.508 30 50 BDEA CC(=O)OC/C=C/B1OC(C)(C)C(C)(C)O1 169743443 ZXBRLGZFCXGTBA-VOTSOKGWSA-N 226.081 1.737 30 50 BDEA in-vitro CC[C@@H]1CN/C(=N/Cc2ccccc2)N1 1775997521 FYFDIPTZBRJZMS-LLVKDONJSA-N 203.289 1.514 30 50 BDEA CCOC(=O)c1cc(C#N)c2ccccn2c1=O 142896 ZFBSXCVKFLHBBL-UHFFFAOYSA-N 242.234 1.348 30 50 BDEA COC(=O)c1cc(C#N)c(Cl)nc1C 1382949 IEHHHLCMZAVILB-UHFFFAOYSA-N 210.620 1.702 30 50 BDEA C=CCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 100147215 HAMXQRSEDGZKRF-XKNYDFJKSA-N 223.272 1.036 30 50 BDEA in-vitro C[C@@H]1CN(c2ncncc2C#N)C[C@@H](C2CC2)O1 408522122 DDZQCPDHBFXFBJ-SKDRFNHKSA-N 244.298 1.352 30 50 BDEA O=C1C=C[C@]23CC=CC(=O)[C@]2(CC=CC3=O)C1 101051866 RBQUNVQDXTWFMG-KBPBESRZSA-N 228.247 1.546 30 50 BDEA COC(=O)/C(Cl)=N/Nc1ccc(OC)cc1 104497413 IPYYPYTUZHFTKC-LCYFTJDESA-N 242.662 1.832 30 50 BDEA C[C@@H](Oc1cccnc1)C(=O)/C=C/N(C)C 8730207 SCXDZZBYICSCAT-QEHWCHDUSA-N 220.272 1.493 30 50 BDEA COC(=O)c1cccc([N+](=O)[O-])c1C#N 196200210 IKKNSRWBYKCBBC-UHFFFAOYSA-N 206.157 1.253 30 50 BDEA CCC#CCN1CCC[C@@H](CN2CCCC2=O)C1 670440173 WMUCNBIEHWVETJ-CQSZACIVSA-N 248.370 1.734 30 50 BDEA Cn1ncc(C#N)c1-c1cccc(CO)c1 1875339985 GMSVICQKWFOCQC-UHFFFAOYSA-N 213.240 1.451 30 50 BDEA CS[C@@H](C)C(=O)Nc1cccnc1C#N 952881728 CNDCYQGSWAYORM-ZETCQYMHSA-N 221.285 1.643 30 50 BDEA COc1ccccc1B1O[C@H](C)CC(C)(C)O1 169806789 ALOLSCLBNZSAMC-SNVBAGLBSA-N 234.104 1.994 30 50 BDEA in-vitro C#CC1CCN(C(=O)c2ccncc2F)CC1 585089709 SBRPXWVDAQFAJK-UHFFFAOYSA-N 232.258 1.706 30 50 BDEA NC1=CC(=O)C[C@H](c2ccc3c(c2)OCO3)C1 1088706241 IURMFSXJRUSZIP-SECBINFHSA-N 231.251 1.704 30 50 BDEA CC(C)(O)C#C[C@@H](O)c1ccccc1F 77192 XVCIDCBYFGOPKQ-LLVKDONJSA-N 208.232 1.633 30 50 BDEA C=CCN1C(=O)[C@H](CCCC)NC1=S 2127078 ODHVRFSUUJZFNT-QMMMGPOBSA-N 212.318 1.448 30 50 BDEA C=CC(=O)N(C)[C@@H](C#N)c1cccc(O)c1 1875305750 GUZGDSKDJPROQS-NSHDSACASA-N 216.240 1.601 30 50 BDEA CC(C)(O)C#C[C@@H](O)C#Cc1ccccc1 15684518 INIIUPXTRGUPLZ-ZDUSSCGKSA-N 214.264 1.173 30 50 BDEA COc1ccc(/C=N/N2CCOCC2)cc1O 109751 XXNWAVPVIKEUHJ-UKTHLTGXSA-N 236.271 1.067 30 50 BDEA N#CCNC(=O)CCCOc1ccc(F)cc1 126792352 ZGMZOQXEUHKLBI-UHFFFAOYSA-N 236.246 1.624 30 50 BDEA CC#CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO 1875363265 QTGYLSBJSPALSU-DOMZBBRYSA-N 243.306 1.422 30 50 BDEA CC#CC(=O)N(C)Cc1ccnc2[nH]ccc12 1875377124 TUPOUNVLTUHBML-UHFFFAOYSA-N 227.267 1.545 30 50 BDEA C[C@@H](Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CO1 1875372375 DWGHMXZHVVHILT-CABZTGNLSA-N 230.267 1.004 30 50 BDEA CC1(C)OB(c2[nH]ncc2C2CC2)OC1(C)C 306973865 XPRBWBFCRKWQAG-UHFFFAOYSA-N 234.108 1.586 30 50 BDEA C#CCCCCC(=O)N=S1(=O)CCOCC1 725261039 IDQFYBSLRHAYMV-UHFFFAOYSA-N 243.328 1.205 30 50 BDEA CC(=O)c1ccc(NC(=O)CC#N)cc1 5900484 WPFBRJWFVGBZJI-UHFFFAOYSA-N 202.213 1.741 30 50 BDEA in-vitro Cc1ncncc1/C(O)=N/C[C@@]1(C)CCOC1 330751595 ZIEMJTGWSSZRFW-GFCCVEGCSA-N 235.287 1.516 30 50 BDEA CC(C)[C@]1(CO)CCN(c2cnccc2C#N)C1 368177040 ONJDMLDHKCERSP-CQSZACIVSA-N 245.326 1.798 30 50 BDEA CC#CC(=O)NCc1noc(-c2cccs2)n1 801141678 QHBNPFHPLMRRGZ-UHFFFAOYSA-N 247.279 1.438 30 50 BDEA OCC#Cc1ccc(OC(F)(F)F)cn1 308797395 IIFQJQMIEBDPIH-UHFFFAOYSA-N 217.146 1.324 30 50 BDEA COC(=O)[C@H]1O[C@@H]1c1ccc(C#N)cc1 12336843 BGZXIMFTXAMVRB-ZJUUUORDSA-N 203.197 1.171 30 50 BDEA COc1ccc(C(=O)/C(C)=N/O)cc1OC 96024106 XWEFRSPTSHWIFV-KPKJPENVSA-N 223.228 1.737 30 50 BDEA CO[C@@H]1CN(C(=O)[C@H](C)C#N)CC[C@H]1C 299914256 FDYXKTTZTAUIGU-OPRDCNLKSA-N 210.277 1.029 30 50 BDEA CN(C)/C=N/c1cc(=O)n(-c2ccccc2)[nH]1 3187097 OXBJXKHZLXNXFA-UKTHLTGXSA-N 230.271 1.387 30 50 BDEA N#Cc1c(Oc2ccccc2)ccc[n+]1[O-] 60238681 KBGOOZVXPRUSDY-UHFFFAOYSA-N 212.208 1.984 30 50 BDEA C=CC[C@@H]1NC(=O)N(CC2(CC)CC2)C1=O 1326364908 SAAOZXXACIXEAM-VIFPVBQESA-N 222.288 1.673 30 50 BDEA Cc1cnc(N/N=C/c2ccccc2O)[nH]c1=O 3945050 AJUILXAUHYEOOZ-VGOFMYFVSA-N 244.254 1.230 30 50 BDEA CC#CC(=O)Nc1ccccc1C(=O)OC 234559675 OJNAVKVLTYZCMC-UHFFFAOYSA-N 217.224 1.435 30 50 BDEA OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)F 2573963 GGHXTGYWFGCELG-VKHMYHEASA-N 244.106 1.563 30 50 BDEA C[C@@H]1C(=O)C(=O)/C(=C\c2ccccc2)C1=O 102590690 AWJGHANOYPSHTD-LRUQUBRESA-N 214.220 1.427 30 50 BDEA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C=O 113690154 UDAVIPHGUXCSOK-BDAKNGLRSA-N 213.277 1.831 30 50 BDEA O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@H]1CO1 1875372993 RFMHQSMPWSCEBM-SDDRHHMPSA-N 217.268 1.305 30 50 BDEA O=C(NCCOc1ccc(Cl)cc1)[C@H]1CO1 1875373390 ZSPVRYXLJAVWPH-SNVBAGLBSA-N 241.674 1.234 30 50 BDEA CCOC(C)(C)C/N=C(\NC)NC1CC1 187120521 LBIMJUJWRIOAOZ-UHFFFAOYSA-N 213.325 1.129 30 50 BDEA C=CCCN1C(=O)c2ccccc2C1=O 1585946 ZDOLXCKKXHSEJG-UHFFFAOYSA-N 201.225 1.859 30 50 BDEA in-vitro C=CCC(O)(CC=C)[C@H](N)CCSC 2390243 IASBFWGOKYWONK-SNVBAGLBSA-N 215.362 1.950 30 50 BDEA in-vitro N#Cc1cccnc1N1CC[C@@H]2COCC[C@H]21 1875271553 IDCNFSLFOXAUDK-VXGBXAGGSA-N 229.283 1.568 30 50 BDEA N#Cc1c(NCC2(CCO)CCC2)cc[nH]c1=N 2325775317 WBBSQUGCWVESIF-UHFFFAOYSA-N 246.314 1.330 30 50 BDEA CC(C)(C)OC(=O)N1CC/C(=N/O)C1 39084864 VGGFRVVFQKZXFV-YFHOEESVSA-N 200.238 1.457 30 50 BDEA in-vitro C=CCN(CCC#N)C(=O)c1cncnc1 292424241 KZIGHBKGEBFRQC-UHFFFAOYSA-N 216.244 1.018 30 50 BDEA CCC(CC)C(=O)N[C@@H](C#N)[C@H]1CCOC1 1875365281 TVYVDFGZWLAXIL-QWRGUYRKSA-N 224.304 1.467 30 50 BDEA CC#CC(=O)NCC[C@H]1OCCc2ccccc21 885932394 VDVAALGRRCTECV-CQSZACIVSA-N 243.306 1.830 30 50 BDEA N#CCCNC[C@@H]1COc2ccccc2O1 4728578 HDZVEVLDKLYESK-SNVBAGLBSA-N 218.256 1.330 30 50 BDEA CC1(C)OB(c2ccc(F)nc2)OC1(C)C 169856340 ZKSRQMCKFLGPQU-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro N#Cc1cccnc1NCCN1CCCOCC1 188496276 RSFUYHYDHGFQRL-UHFFFAOYSA-N 246.314 1.087 30 50 BDEA COc1cccc([C@H]2C[C@H](NC(=O)[C@H]3CO3)C2)c1 1875372327 CWSPOBPGXVOBOU-NQBHXWOUSA-N 247.294 1.456 30 50 BDEA N#Cc1cnc(N2CCCCC2)nc1O 18219586 MOYGHPYGDRPHTI-UHFFFAOYSA-N 204.233 1.044 30 50 BDEA Cc1nsc(N[C@H]2C[C@@H](O)C2(C)C)c1C#N 309662100 YGOJGVLZRWBBPE-DTWKUNHWSA-N 237.328 1.895 30 50 BDEA N#Cc1ccc(=N[C@H]2CC[C@H](F)C2)[nH]c1 336494809 PRQSFQUFJIZJCH-UWVGGRQHSA-N 205.236 1.678 30 50 BDEA CCC(=O)NC(=S)Nc1ccccc1C#N 358657 BOHQUZDBEBTGDY-UHFFFAOYSA-N 233.296 1.781 30 50 BDEA C[C@@H](CC#CCN1CCCC1)OCCC#N 2932028 UMJOGSKUTCMTIE-ZDUSSCGKSA-N 220.316 1.794 30 50 BDEA CC(=O)NC12CC3C[C@@H](C1)C(=NO)[C@@H](C3)C2 101250356 AGLSQIHENCAJLE-QLWZBITOSA-N 222.288 1.531 30 50 BDEA COc1cc2c(cc1OC)C(=O)/C(=C\N(C)C)C2 26511172 KRJLTVGNRDHHNJ-NTMALXAHSA-N 247.294 1.888 30 50 BDEA N#Cc1cnn(-c2cccc(Cl)n2)c1N 5945164 FCFBWMXJGNPCBQ-UHFFFAOYSA-N 219.635 1.375 30 50 BDEA c1cc2c(c(OC[C@@H]3CO3)c1)OCCCO2 1875378966 LNLNLSMEVSCQTE-VIFPVBQESA-N 222.240 1.626 30 50 BDEA OC1=C/C(=N\c2ccc3nccnc3c2)CN1 1848443895 KCQRDDILIBUKOJ-CXUHLZMHSA-N 226.239 1.705 30 50 BDEA C[C@@H]1[C@@H](CO)CCCN1c1ncccc1C#N 591200662 AIUVFEHJSARTQQ-ZYHUDNBSSA-N 231.299 1.550 30 50 BDEA C=CCCB(O)OC(C)(C)C(C)(C)O 169980222 LGDVXXGQJUYBJB-UHFFFAOYSA-N 200.087 1.609 30 50 BDEA CC(=O)C(C(C)=O)=C1Nc2ccccc2O1 40599 IKOUASWEJLTGEM-UHFFFAOYSA-N 217.224 1.881 30 50 BDEA Cn1cccc1C(=O)NCC1(C#N)CCC1 334886601 RGNKAVHIAXEQTM-UHFFFAOYSA-N 217.272 1.449 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C[C@H]4[C@H](/C(=N\O)C[C@H]24)[C@@H]13 229857740 JWHDYBQMUQNNIA-FSUQNIOOSA-N 206.245 1.569 30 50 BDEA c1cc(OC[C@H]2CO2)cc(-n2cccn2)c1 1875378647 IVCRUVWTQSIKAD-LBPRGKRZSA-N 216.240 1.650 30 50 BDEA CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1C 19826465 BFHJJFUZJSTSBY-UHFFFAOYSA-N 207.273 1.952 30 50 BDEA CC[C@@]12C[C@@H]1CN(C(=O)c1ccc(C#N)nc1)C2 1772804942 GZVRWSSLNKRXMC-RISCZKNCSA-N 241.294 1.825 30 50 BDEA C#Cc1ccc(CNC(=O)N2CCOCC2)cc1 296234882 OPYPWFDVQMTOPQ-UHFFFAOYSA-N 244.294 1.210 30 50 BDEA CC(C)C[C@@H]1CN(c2nccnc2C#N)CCO1 670459259 MGUPEDPKGRMZKH-LLVKDONJSA-N 246.314 1.600 30 50 BDEA COC(=O)c1ccc(C2=CC(=O)C=CC2=O)cc1 103690870 FCMIGMVPLBUGMW-UHFFFAOYSA-N 242.230 1.565 30 50 BDEA NCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21 110715903 FFWPXKBFGGQLFE-ZSBIGDGJSA-N 236.315 1.111 30 50 BDEA Cc1nc(N[C@H]2CCCC[C@@H]2O)ccc1C#N 291667670 PPXYDVHGNPJHOI-RYUDHWBXSA-N 231.299 1.977 30 50 BDEA C=CC[C@@H]1CCN(C(=O)CSCC(=O)O)C1 600876173 SYFKNVNOSFNGBF-SECBINFHSA-N 243.328 1.229 30 50 BDEA C#CCN(C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 192229485 XDCFWYOMSNMEHP-RYUDHWBXSA-N 222.332 1.056 30 50 BDEA CC1(C)OB(c2ccc3nncn3c2)OC1(C)C 222939068 IVGGHSWKRUSCTF-UHFFFAOYSA-N 245.091 1.029 30 50 BDEA in-vitro N#Cc1ccc(CNCC2(O)CCOCC2)cc1 112717260 JNWRKLNTJOCIPA-UHFFFAOYSA-N 246.310 1.189 30 50 BDEA N#Cc1ccccc1O[C@H]1CCCNC1 12359831 IRNZLBNNIBEIFM-NSHDSACASA-N 202.257 1.689 30 50 BDEA C=CCNS(=O)(=O)c1ccc(F)c(C)c1 16650484 KWZHKLIZASJRLS-UHFFFAOYSA-N 229.276 1.598 30 50 BDEA C[C@H](C[C@@H]1CCOC1)N=c1ccc(C#N)c(N)[nH]1 594562677 GSWWGTJXXDQCCC-ZJUUUORDSA-N 246.314 1.184 30 50 BDEA C#CCS(=O)(=O)c1cccc2cccnc12 201630 RONNLUAKCWTYSH-UHFFFAOYSA-N 231.276 1.642 30 50 BDEA C=CCn1c(O)cc(=O)nc1SCC 100834344 KUPDVPORXHKSSK-UHFFFAOYSA-N 212.274 1.247 30 50 BDEA Cc1ncc(N=C(O)C[C@H]2CCOC2)cn1 330201547 XYKKXBQDGUWESX-SECBINFHSA-N 221.260 1.800 30 50 BDEA CCSc1cccnc1C(=O)N[C@@H](C)C#N 449815522 WUULUKGAZAGQMG-QMMMGPOBSA-N 235.312 1.835 30 50 BDEA CCNC(=O)CNc1cc(C(C)=O)ccc1C#N 130851266 KNKKCFDOJKKBOK-UHFFFAOYSA-N 245.282 1.309 30 50 BDEA C=CCNC(=O)c1ccc(N2CCOCC2)cc1 7504996 FGUAOPHKRNDBQI-UHFFFAOYSA-N 246.310 1.439 30 50 BDEA C#C[C@@H]1COCCN1c1nc2ccccc2o1 491774692 APXFGHPNCHDDOG-SNVBAGLBSA-N 228.251 1.666 30 50 BDEA C(=NN=Cc1cccnc1)c1cccnc1 252438263 OOXNKQISMJMZRH-UHFFFAOYSA-N 210.240 1.930 30 50 BDEA C=CCOC(=O)[C@@]1(C)[C@H]2[C@H]3C=C[C@@H](O3)[C@H]21 253390478 NCFQFXLHJKOXEF-APWOSFEXSA-N 206.241 1.305 30 50 BDEA biogenic C[C@@H]1NC(=NCc2ccc(F)cc2)N[C@@H]1C 1776003774 GYZAWALOCKAWFY-DTORHVGOSA-N 221.279 1.652 30 50 BDEA Cc1ccc(C(=O)N(CC#N)CC#N)cc1 123310 PLZHKNONMINOKE-UHFFFAOYSA-N 213.240 1.484 30 50 BDEA C[C@@H]1CCC[C@H](C(=O)O)N1C(=O)CCS 235512 UHIOKYGCFGNNCU-HTQZYQBOSA-N 231.317 1.161 30 50 BDEA biogenic,in-vitro CO[C@@H]1C[C@@H](CO)N(c2ccc(C#N)cc2)C1 284627032 UKBSFOIDDAOISU-QWHCGFSZSA-N 232.283 1.144 30 50 BDEA C=CCn1c(SC2CCC2)n[nH]c1=O 292349282 DYMFQCUZGDBTID-UHFFFAOYSA-N 211.290 1.402 30 50 BDEA N#Cc1cc2n(n1)CCCN([C@H]1CCSC1)C2 584893972 SVXWHYKWTSYKBH-NSHDSACASA-N 248.355 1.466 30 50 BDEA CC1(C)OB([C@@H]2CCCNC2)OC1(C)C 203138555 OMKRUOMSWUJNBY-SECBINFHSA-N 211.114 1.832 30 50 BDEA C=C1CC(C)(C(=O)N[C@H](C)c2nn(C)cc2O)C1 1646316792 HEFFYUGYSOHLTN-SECBINFHSA-N 249.314 1.659 30 50 BDEA C#C[C@H](CO)NC(=O)C1(CC=C)CCCC1 854778112 RNAZJPXBHBRDRK-LLVKDONJSA-N 221.300 1.233 30 50 BDEA N#CCC(=O)NC[C@H]1CCCCC1(F)F 335414811 DJKHBJDVBWCLDT-MRVPVSSYSA-N 216.231 1.842 30 50 BDEA C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)nc1O 2325771228 KTDFUAZJMYWOSF-RKDXNWHRSA-N 245.282 1.672 30 50 BDEA Cc1ccc(N2C(=O)CCC2=O)cc1C#N 401163 RAJUQIWXRLRXGC-UHFFFAOYSA-N 214.224 1.520 30 50 BDEA O=C([C@@H]1CO1)N1C[C@H](F)C[C@H]1c1ccccc1 1875373046 SKRPVYRFNZKIDP-WOPDTQHZSA-N 235.258 1.697 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@H](Cc2ccccc2)C1 1875372401 FHFFVWFHXHPNOT-ZIAGYGMSSA-N 245.322 1.867 30 50 BDEA CC1(C)OB(c2ccnc(Cl)n2)OC1(C)C 169858419 QQSUAGFVCYBRDH-UHFFFAOYSA-N 240.499 1.429 30 50 BDEA in-vitro C/N=C(/N)NC[C@@H](C)Sc1ccccc1 170642341 HBZKUFVTARNOLT-SECBINFHSA-N 223.345 1.701 30 50 BDEA N#CCN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 334299348 QOVWUEVPLXFXCF-BXKDBHETSA-N 238.237 1.596 30 50 BDEA C[C@@H]1CN(c2ncncc2C#N)C[C@H](C2CC2)O1 408522119 DDZQCPDHBFXFBJ-BXKDBHETSA-N 244.298 1.352 30 50 BDEA C[C@H]1CCC[C@@H]1Nc1nccc(C#N)n1 231901425 RCPDNYBHQRUPPH-WPRPVWTQSA-N 202.261 1.949 30 50 BDEA CS(=O)(=O)N/N=C/c1ccccc1Cl 280720 ASFBVHQYUYWRQS-UXBLZVDNSA-N 232.692 1.223 30 50 BDEA COc1ccccc1N/C(C)=C1\C(=O)COC1=O 102315211 QJQGHGABFJYGAD-XYOKQWHBSA-N 247.250 1.507 30 50 BDEA CN1CCCC[C@@H](C2=CC(=O)CCC2)C1=O 38632924 XJZQHHIPUDRJGJ-LBPRGKRZSA-N 221.300 1.924 30 50 BDEA CCN(c1cccnc1)S(=O)(=O)CCC#N 253431906 YGSQPSCSJJITLX-UHFFFAOYSA-N 239.300 1.151 30 50 BDEA C=C(OC)[C@@H](C(=O)OC)[C@H](O)c1ccccc1 43199166 ZZJKSQURLGQKBV-VXGBXAGGSA-N 236.267 1.669 30 50 BDEA Cc1ncc(C(=O)NC2(C#N)CCCC2)c(C)n1 182510751 WWRXFARUXAUMJY-UHFFFAOYSA-N 244.298 1.660 30 50 BDEA C#CCCCC(=O)Nc1nccc(C)n1 194676991 AEHHZIJRWQRQMN-UHFFFAOYSA-N 203.245 1.527 30 50 BDEA COC(=O)/C(=C\Nc1ccc(O)cc1)[N+](=O)[O-] 17861250 SUEIXMUFXZZWAK-RMKNXTFCSA-N 238.199 1.095 30 50 BDEA N#Cc1cc(N2CCCC2)c([N+](=O)[O-])cc1C#N 4575470 MURKUFIBVOCXTM-UHFFFAOYSA-N 242.238 1.938 30 50 BDEA C(=N/N1CCOCC1)\c1ccc2c(c1)OCO2 506711 PMQRELOULBVCMD-MDWZMJQESA-N 234.255 1.081 30 50 BDEA CC#CCCNC(=O)N1CCC(F)(F)C1 335332243 PMEDMHKLUXQYML-UHFFFAOYSA-N 216.231 1.450 30 50 BDEA N#Cc1ccc(NN)cc1Br 91301976 HZQRBVOUQZHWJF-UHFFFAOYSA-N 212.050 1.606 30 50 BDEA C[C@@H](NC(=O)[C@@H]1CO1)c1ccc(C#N)cc1F 1875372862 OBCQZXKYBADHGT-HQJQHLMTSA-N 234.230 1.273 30 50 BDEA N#CC1(NC(=O)c2ccnnc2)CCCCC1 129604142 CMOKINVNTJSONH-UHFFFAOYSA-N 230.271 1.433 30 50 BDEA CC(=O)/C(Sc1nc(C)cc(O)n1)=C(\C)O 1775971097 FJBDVWUIWPPCJY-TWGQIWQCSA-N 240.284 1.961 30 50 BDEA CC(C)(C)OC(=O)N[C@@H]1C2C[C@H]3[C@@H](C2)C31C=O 1857781547 FDBATDYMCZOQTQ-ZGIQVYKYSA-N 237.299 1.735 30 50 BDEA CC#CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 283308029 UWKYDOSYHLEBGD-DZGCQCFKSA-N 242.322 1.571 30 50 BDEA O=C(NCc1csc2ccccc12)[C@@H]1CO1 1875372262 BGJNZYTXYKIWCC-JTQLQIEISA-N 233.292 1.916 30 50 BDEA CC1(C)Cc2nc(NCCO)c(C#N)cc2CO1 13424507 CTGWQNGQIQZGRH-UHFFFAOYSA-N 247.298 1.209 30 50 BDEA N#Cc1ccccc1CN1C[C@H]2C[C@H](O)C[C@H]2C1 1775977476 GWFCONCKIBSJGP-FICVDOATSA-N 242.322 1.761 30 50 BDEA CS(=O)(=O)C1(c2ccc(C#N)cc2)CC1 259384953 KKUCBIWUMWUPMF-UHFFFAOYSA-N 221.281 1.592 30 50 BDEA O=C(O)CC/N=C(\O)c1ccccc1F 82149330 OSMOBVPHBKSJRS-UHFFFAOYSA-N 211.192 1.605 30 50 BDEA in-vitro N#C[C@H]1CCC[C@H](NCCCn2cccn2)C1 170081277 LQCWUNMDNCWZAU-STQMWFEESA-N 232.331 1.945 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N 196947336 BXTJBKJWBAHLEZ-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N 100119512 ODPPIAGQLCIUJF-UHFFFAOYSA-N 223.235 1.961 30 50 BDEA in-vitro CN/C(S)=N\CCc1ccc(OC)cc1 13522183 ROENYXFRISITLD-UHFFFAOYSA-N 224.329 1.743 30 50 BDEA N#CCN(CC#N)C(=O)c1cccc(F)c1 302740 RDGAOWHUVRQYSF-UHFFFAOYSA-N 217.203 1.315 30 50 BDEA N#Cc1cccnc1-n1cnc(Cl)n1 253409463 LWIGQKINUGRMJZ-UHFFFAOYSA-N 205.608 1.187 30 50 BDEA O=C(Nc1ccccc1)c1coc(C(=O)NO)c1 1875359052 SDHFTDVJTKKATQ-UHFFFAOYSA-N 246.222 1.651 30 50 BDEA CCOc1ccc(/C(=N/O)[C@H](C)NO)cc1 13153891 ZUQNRFAANVNQML-LVBPULCISA-N 224.260 1.631 30 50 BDEA COC[C@@H]1CCN1c1cccc(F)c1C#N 292957152 GHLLDUYUDMDBSI-VIFPVBQESA-N 220.247 1.922 30 50 BDEA O=C[C@@H]1Cc2cc(C(F)(F)F)ccc2C(=O)O1 642886384 KMJDRLIARPAQJC-QMMMGPOBSA-N 244.168 1.986 30 50 BDEA C#CCNC(=O)[C@H](C)Nc1cnn(C(C)(C)C)c1 186259882 XZJIYUIIIDSKEV-JTQLQIEISA-N 248.330 1.188 30 50 BDEA C#CCOS(=O)(=O)c1ccc(C)cc1 2034118 LMBVCSFXFFROTA-UHFFFAOYSA-N 210.254 1.334 30 50 BDEA in-vitro C=CCN(CCO)C(=O)OCc1ccccc1 35287604 CAJJBQHUJLQBEM-UHFFFAOYSA-N 235.283 1.804 30 50 BDEA in-vitro CC1(C)C[C@](O)(C#CBr)CCO1 12384390 PNTOQEYPVUYMDE-VIFPVBQESA-N 233.105 1.662 30 50 BDEA C1C[C@@]2(CO2)C23C1(CC[C@@]21CO1)CC[C@@]31CO1 101050463 SFUDZMIFVWDHFP-DEULPLRUSA-N 234.295 1.648 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)nc1 241837486 SKNSMTUUBFRIRI-BJUWDHJGSA-N 241.294 1.159 30 50 BDEA COc1cccc(-c2[nH]c(=O)nc(O)c2C#N)c1 670425459 DWCUKGVZTPVDKZ-UHFFFAOYSA-N 243.222 1.023 30 50 BDEA Cc1c(CNC(=O)[C@H]2CO2)n(C)c2ccccc12 1875372781 MKWNVJXPBXNZOD-CYBMUJFWSA-N 244.294 1.502 30 50 BDEA CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169809941 ANKKLMBIFAUZOP-UHFFFAOYSA-N 234.108 1.423 30 50 BDEA in-vitro Cc1cc(=O)oc2cc(OC[C@@H]3CO3)ccc12 11766720 RKTDLLDEZCGFKQ-SNVBAGLBSA-N 232.235 1.879 30 50 BDEA biogenic Cn1cnc2nc(-c3ccc(C#N)cc3)ncc21 2100482561 IPWBQOZFPIIPGE-UHFFFAOYSA-N 235.250 1.902 30 50 BDEA Cc1ccc(N/N=C2/CCCNC2=O)cc1 4084560 BWCYYCWSCABXGH-PTNGSMBKSA-N 217.272 1.673 30 50 BDEA N#Cc1nccnc1NCc1noc(C2CC2)n1 535719678 RGOBKFMJOKXJEL-UHFFFAOYSA-N 242.242 1.221 30 50 BDEA CC#CC(=O)NC[C@@H](c1ccco1)N(C)C 170614526 LFWLJMVXZPKBRV-JTQLQIEISA-N 220.272 1.022 30 50 BDEA C=CCNC(=O)CN[C@H]1CC(C)(C)C[C@@H]1C 193146153 HVKVDVOLCZNDGD-QWRGUYRKSA-N 224.348 1.703 30 50 BDEA N#CCN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 334299349 QOVWUEVPLXFXCF-CABZTGNLSA-N 238.237 1.596 30 50 BDEA O=C(O)/C=C/C(=O)[C@H]1CNc2ccccc2O1 1772718244 QIOUBBYPJLWZDV-MVIFTORASA-N 233.223 1.069 30 50 BDEA N#Cc1ccc(C(=O)N2CCCCO2)cc1 225499318 PGHOMLMHTPJYPM-UHFFFAOYSA-N 216.240 1.726 30 50 BDEA C[C@H]1N(c2nccc(C#N)n2)CCOC1(C)C 408456438 IMZYRHCDJXTNOH-SECBINFHSA-N 232.287 1.352 30 50 BDEA N#CCC(=O)NCc1ccccc1Cl 575922 OBRPXZYTBBNYPA-UHFFFAOYSA-N 208.648 1.870 30 50 BDEA Cc1oc(C#N)cc1C(=O)N1CC[C@H]([C@@H](C)O)C1 408403405 BGABRYHLGBMTDQ-SCZZXKLOSA-N 248.282 1.303 30 50 BDEA CN(C)c1ncc(C#N)cc1Br 221975269 ULRHIDQZZVQIAT-UHFFFAOYSA-N 226.077 1.782 30 50 BDEA in-vitro C=CCNC(=O)c1cccc(C(=O)NCC=C)c1 5899204 SYHDNECHLOSTEN-UHFFFAOYSA-N 244.294 1.518 30 50 BDEA CC1(C)OB(c2cccc(CCO)c2)OC1(C)C 169984287 NJOVPKLUJRKAGP-UHFFFAOYSA-N 248.131 1.521 30 50 BDEA N/C(=N/O)c1cnccc1C(F)(F)F 4284625 TWNDDLQXEIPJNK-UHFFFAOYSA-N 205.139 1.195 30 50 BDEA in-vitro N/C(COc1ccccc1Cl)=N/O 4253295 NDOSJMHHYUKPIM-UHFFFAOYSA-N 200.625 1.465 30 50 BDEA in-vitro N#Cc1ccccc1CN1CCCC[C@H]1C(=O)O 35297715 JFMOBZGNIDTMSW-ZDUSSCGKSA-N 244.294 1.997 30 50 BDEA in-vitro CC1=C(B2OC(C)(C)C(C)(C)O2)COC1=O 1857779184 ANXATCLHLLEJNY-UHFFFAOYSA-N 224.065 1.491 30 50 BDEA N#CCCNC[C@@H]1OCCc2ccccc21 2479963 QKGMGTWUQWSKBN-ZDUSSCGKSA-N 216.284 1.804 30 50 BDEA Cc1cccc(/C=N/NC2=NC(=O)CS2)c1 6682031 QUOUWBNQWWABSO-WUXMJOGZSA-N 233.296 1.548 30 50 BDEA C/C(NCc1ccccc1)=C1/C(=O)COC1=O 101153612 ALKXYJRDMZIYSL-FMIVXFBMSA-N 231.251 1.176 30 50 BDEA CC(=O)C1=C(O)C(=O)N[C@H]1c1ccccc1F 268571 ZBXZJFARDXXEMB-JTQLQIEISA-N 235.214 1.398 30 50 BDEA COc1ccc(-n2cc(OC[C@@H]3CO3)cn2)cc1 1875378468 DMEZSRYJDWCLSF-CYBMUJFWSA-N 246.266 1.659 30 50 BDEA CC#CC(=O)N[C@@H]1CCOC[C@@H]1CC(C)C 1875379160 NYPYNMZMNTZQPX-NWDGAFQWSA-N 223.316 1.577 30 50 BDEA CSc1cc(C(=O)NCC#N)ccc1F 165694359 DAHBUERARFTWRW-UHFFFAOYSA-N 224.260 1.801 30 50 BDEA Cn1cc(C#CB2OC(C)(C)C(C)(C)O2)cn1 169963227 YPUABVIPTWGKSO-UHFFFAOYSA-N 232.092 1.403 30 50 BDEA in-vitro COC(=O)c1ccccc1B1OCC(C)(C)CO1 196002639 FIIRHYAXUYGUTA-UHFFFAOYSA-N 248.087 1.241 30 50 BDEA C=C(C)C(=O)OCCOCCOCCCC 5514154 QGTBRAFPWNISIJ-UHFFFAOYSA-N 230.304 1.939 30 50 BDEA C=CCOc1cccc(C(=O)Nc2nc[nH]n2)c1 13152756 KWEZJOLCQJZEAR-UHFFFAOYSA-N 244.254 1.622 30 50 BDEA CC1(C)CC(=O)C=C(NCC2CCNCC2)C1 13371068 GZAMZXZKUKFMAI-UHFFFAOYSA-N 236.359 1.849 30 50 BDEA Cn1cc[n+](CC(=O)c2cccc([N+](=O)[O-])c2)c1 4549901 XCICCCOCKLIAHK-UHFFFAOYSA-N 246.246 1.104 30 50 BDEA Cn1cc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cn1 225712677 GTXJNQIBNSUXIB-UHFFFAOYSA-N 245.198 1.387 30 50 BDEA CC#CC(=O)N[C@@H]1CCCN(c2ccccc2)C1 240465875 GBBKZVQONOJLKC-CYBMUJFWSA-N 242.322 1.795 30 50 BDEA C#CCn1c(=N)sc2cccc(OC)c21 225393791 BWWYOVVWOSUBET-UHFFFAOYSA-N 218.281 1.824 30 50 BDEA N#Cc1cc(Br)c2n[nH]nc2c1 95496069 LZVSVULXMSHKGN-UHFFFAOYSA-N 223.033 1.592 30 50 BDEA CC(C)c1cccc(CNC(=O)[C@H]2CO2)c1 1875372587 IZALKTFMUDMRDA-GFCCVEGCSA-N 219.284 1.825 30 50 BDEA CC(=O)ONC(=O)OCc1ccccc1 44069070 YEIRDDKOGLZHLP-UHFFFAOYSA-N 209.201 1.391 30 50 BDEA in-vitro C#CC(C)(C)N(C)Cc1ccc(C(N)=O)cc1 279214696 HIMICCXFDWLBKY-UHFFFAOYSA-N 230.311 1.629 30 50 BDEA O=C1/C(=C\c2ccncc2)N2CCC1CC2 350939 PKYPQUFVPMYEAV-FMIVXFBMSA-N 214.268 1.717 30 50 BDEA C=CCn1c(S)nnc1-c1ccccn1 2522262 GQUMJEVEIZJHNE-UHFFFAOYSA-N 218.285 1.815 30 50 BDEA in-vitro C#CC[C@H](C)N1C(=O)[C@H]2CCCCN2C1=O 225558602 BMHNKBSKAYZMFZ-VHSXEESVSA-N 220.272 1.215 30 50 BDEA C=CCn1nc(C)c(CCC(=O)O)c1C 62716537 RWHSLONEYAOUIX-UHFFFAOYSA-N 208.261 1.703 30 50 BDEA O=C1CCCC(=O)C1=CNCCCn1ccnc1 100568357 DWTKWRPPVSVCHC-UHFFFAOYSA-N 247.298 1.069 30 50 BDEA COCC(C)(C)/N=C(/O)c1cnn2ncccc12 330920744 PMZAWJNYEFCCMX-UHFFFAOYSA-N 248.286 1.459 30 50 BDEA NC(N)=NCc1cc2ccccc2s1 138486779 VWCMXFWWJPTDEJ-UHFFFAOYSA-N 205.286 1.675 30 50 BDEA CC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@H]3C[C@@H]12 252427855 INYGWUFTISSLHX-MYKXSFQSSA-N 208.257 1.361 30 50 BDEA C#CCN(C)C(=O)[C@H](C)Oc1ccccc1 191128428 AJHZMKCQCLZKLB-NSHDSACASA-N 217.268 1.546 30 50 BDEA Cc1cc(Cl)ccc1OC/C(N)=N/O 13401336 JVFGSVIRULPWPV-UHFFFAOYSA-N 214.652 1.774 30 50 BDEA CC1(C)OB(c2cncnc2C2CC2)OC1(C)C 169968825 JJBWAVLXAXEDRI-UHFFFAOYSA-N 246.119 1.653 30 50 BDEA CCCCCCCCC[C@@H](O)[C@H](O)C(=O)O 101446947 JJIJQULYODNGKJ-MNOVXSKESA-N 232.320 1.934 30 50 BDEA CN(CCC#N)c1ccc([N+](=O)[O-])cc1 4054645 VQFSKYLXGRUGCS-UHFFFAOYSA-N 205.217 1.945 30 50 BDEA N#Cc1ccc(OC[C@H]2C[C@@H](O)C2)c(F)c1 334996616 PSTQONPZRKZAGV-AOOOYVTPSA-N 221.231 1.847 30 50 BDEA C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1C(N)=O 284590521 KDACHHZWHCCLNG-PSASIEDQSA-N 247.273 1.255 30 50 BDEA C=CC[C@@]1(COC(N)=O)COC(C)(C)C1 71773782 LGECOUVPUMXADZ-LLVKDONJSA-N 213.277 1.843 30 50 BDEA C=CCNC(=O)CN(C)Cc1ccc(CC)cn1 1506428951 RMQAYMWVVKTMCN-UHFFFAOYSA-N 247.342 1.378 30 50 BDEA N#Cc1ccccc1CN1CCOCC1 19804665 WXZFICVYQDEYTK-UHFFFAOYSA-N 202.257 1.390 30 50 BDEA in-vitro C=CCOc1ccc(C(N)=O)cc1OC 6703258 RSWJWNIMYCCVMN-UHFFFAOYSA-N 207.229 1.359 30 50 BDEA C=CCOC(=O)[C@H](C)NC(=O)c1ccccc1 4656268 NMSMGTPFNVKGPF-JTQLQIEISA-N 233.267 1.534 30 50 BDEA N#Cc1ccccc1CSc1ncn[nH]1 209497 GMRJGXUYTWUBAX-UHFFFAOYSA-N 216.269 1.969 30 50 BDEA Cc1c(NC(=O)c2cc(C#N)cn2C)cnn1C 177239085 WVKLNMQMMWWJAB-UHFFFAOYSA-N 243.270 1.191 30 50 BDEA CC[C@H](C#N)NC(=O)[C@H]1CCC(F)(F)C1 308606038 RAICIWFAJYTJCY-JGVFFNPUSA-N 216.231 1.840 30 50 BDEA COc1ccc([C@@]2(C)O[C@@H]2C#N)cc1F 307081964 PPBGTQTXFMZXAE-GHMZBOCLSA-N 207.204 1.972 30 50 BDEA CCOC(=O)CC(=O)C[C@@H]1C(=O)C=C(C)[C@@H]1C 96068443 HMNGYYNWYHZVGT-ONGXEEELSA-N 238.283 1.680 30 50 BDEA C=CCN[C@H](C)CS(=O)(=O)c1ccccc1 130710895 GYTWEUIEWZDOIM-LLVKDONJSA-N 239.340 1.624 30 50 BDEA C[C@]1(C(=O)N2CCc3cc(O)ccc3C2)CO1 2325899521 IXLDNZKMJFLNBP-CYBMUJFWSA-N 233.267 1.066 30 50 BDEA C=CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 1604342 SLRAUCUDDYGPJP-IUCAKERBSA-N 211.261 1.180 30 50 BDEA CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C=O 307341873 ZNRGBHIYBIVSGT-LLVKDONJSA-N 229.276 1.211 30 50 BDEA CCOC(=O)/C(O)=C/C(=O)c1cccnc1 100570943 IPBQRMIJMLDWBX-POHAHGRESA-N 221.212 1.269 30 50 BDEA Cc1ccnc(N2CC([C@@H]3CCOC3)C2)c1C#N 366497107 YRQRDVQTYNUTSF-LLVKDONJSA-N 243.310 1.734 30 50 BDEA CCCc1cc(C(=O)OCC)c(C#N)c(=O)[nH]1 149798986 JJMDCUBUYANQNW-UHFFFAOYSA-N 234.255 1.376 30 50 BDEA c1cc2c(cc1OC[C@@H]1CO1)OCCO2 1875379706 UZWJGGXRZHXKMO-SECBINFHSA-N 208.213 1.235 30 50 BDEA N#Cc1cc(Br)c(N)c([N+](=O)[O-])c1 59792538 CXFJPTGXTQYIPO-UHFFFAOYSA-N 242.032 1.811 30 50 BDEA in-vitro Cc1cc(C)nc(/N=C(/N)N2CCCCCC2)n1 13151688 RUAFVGLQQYVIHB-UHFFFAOYSA-N 247.346 1.916 30 50 BDEA C=CCC[C@H](C)N[C@H]1CCC(=O)N(C)C1 126845671 VPKODQMAZWKQKZ-QWRGUYRKSA-N 210.321 1.552 30 50 BDEA OCC1(C/N=C(/O)C(C2CC2)C2CC2)COC1 328749093 QQNYWBXHOHFJBX-UHFFFAOYSA-N 239.315 1.388 30 50 BDEA COC(=O)[C@H]1O[C@H]1c1cc(Cl)ccc1OC 1702960 UKUHRBVTJWEYBW-UWVGGRQHSA-N 242.658 1.962 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccccc1Cl 2864612 ZLIBRLYHKNBXTN-UHFFFAOYSA-N 238.674 1.581 30 50 BDEA C=CCNC(=O)C(=O)N[C@@H](C)c1ccccc1 2897683 GWJRRQPDJPBJLY-JTQLQIEISA-N 232.283 1.166 30 50 BDEA N#Cc1ccc(Cn2cc(C#N)cn2)c(F)c1 310092151 JTVLFNLGUAFOLA-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA C1C[C@@]2(CO2)C23C1(CC[C@@]21CO1)CC[C@]31CO1 101050466 SFUDZMIFVWDHFP-PXELTDHWSA-N 234.295 1.648 30 50 BDEA CN(/N=C\c1cc[n+]([O-])cc1)c1ccccc1 43761442 HDKXSXUXGXQXLS-KAMYIIQDSA-N 227.267 1.790 30 50 BDEA Cn1ccnc1CC(=NO)c1ccccc1 254571467 XWYIBTNAXPAQLG-UHFFFAOYSA-N 215.256 1.841 30 50 BDEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H]2C)N=N1 952880698 DCBJQICJUDHNJK-GHMZBOCLSA-N 249.314 1.636 30 50 BDEA N#Cc1ncc(Br)cc1F 43465515 HMURQOFNWZWERT-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA in-vitro C=CCOCCOC(=O)C[C@@H](CN)CC(C)C 408525589 GLNHSCZHAYABJJ-LBPRGKRZSA-N 243.347 1.743 30 50 BDEA CCOC(=O)C(=O)Nc1ccc(C#N)cc1 2937005 UIAIEGFHSDPSAA-UHFFFAOYSA-N 218.212 1.060 30 50 BDEA O=C(NO)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@H]21 863856999 WTTILFACZMAGOC-OPRDCNLKSA-N 223.659 1.731 30 50 BDEA C#CCN1[C@H](CO)CSC[C@H]1c1ccccc1 685939724 SMAIGHQEQSUDMJ-KGLIPLIRSA-N 247.363 1.771 30 50 BDEA N#CC1CN(C(=O)CNc2ccc(F)cc2)C1 1857684039 WXLNYKHERPTZRG-UHFFFAOYSA-N 233.246 1.220 30 50 BDEA C#CC(C)(C)N1CCN(c2nccs2)CC1 1614691983 LWFUXTMCPZGGEP-UHFFFAOYSA-N 235.356 1.677 30 50 BDEA C/C(=N\N=C1/NC(=O)[C@H](C)S1)c1ccco1 5061327 VBKRPEKXSJGGLY-NYYVKIQXSA-N 237.284 1.611 30 50 BDEA C#CCN(C)C(=O)c1c(F)ccc(F)c1F 252490115 KJNUNXHKMUDJGC-UHFFFAOYSA-N 227.185 1.809 30 50 BDEA N/C(=N\OC(=O)c1ccco1)c1ccccn1 8553198 CTKCNLHHQSMOFA-UHFFFAOYSA-N 231.211 1.152 30 50 BDEA C=C(Cl)C[C@H]1COC(=O)[C@@H]1[C@@H](O)/C=C/C 71786413 OTWNTTILLXMNHL-OKROXFOXSA-N 230.691 1.855 30 50 BDEA CN/C(=N/C[C@@H]1CCC=CO1)NCc1ccco1 241776777 RSKZQTKTFODTFA-NSHDSACASA-N 249.314 1.637 30 50 BDEA COc1cc2c(cc1OC)C(=O)C(=NO)C2 252426414 AXBBGHFTZOZJHA-UHFFFAOYSA-N 221.212 1.273 30 50 BDEA N#C[C@H]1CCN(Cc2ccccc2)C[C@@H]1O 139375056 XZYDMOVDIBVPOL-OLZOCXBDSA-N 216.284 1.393 30 50 BDEA in-vitro OC1=C/C(=N\c2ccc3nc(O)[nH]c3c2)CN1 1848443915 QWFWJWASAHXWKG-NTUHNPAUSA-N 230.227 1.344 30 50 BDEA CN1CCC[C@@H](CN(C)c2cnc(C#N)cn2)C1 124777623 KFQOXSVVSXSXTN-LLVKDONJSA-N 245.330 1.126 30 50 BDEA O=C(N=C1CCON1)C1CC(CC2CC2)C1 2325810687 YAHUZCXUQWHZRT-UHFFFAOYSA-N 222.288 1.663 30 50 BDEA CCNc1sc2c(O)cc(=O)[nH]c2c1C#N 6194067 IRAXRLDNBRAGED-UHFFFAOYSA-N 235.268 1.599 30 50 BDEA Cc1c(F)cccc1-n1ncc(C#N)c1N 114685484 TVISSXSCSGDQLB-UHFFFAOYSA-N 216.219 1.774 30 50 BDEA O/N=C/c1cccc(Br)c1O 95483607 WUMOCQYUOSVORL-RUDMXATFSA-N 216.034 1.963 30 50 BDEA C=CCOC(=O)[C@H]1[C@H](C)C[C@@]2(C)C[C@H]1C(=O)O2 253575665 UWVYEALGVAJYLZ-DNJQJEMRSA-N 238.283 1.693 30 50 BDEA N#Cc1c(N)ccn(-c2ccccc2)c1=O 1875345057 UMZAWFARQMIQDJ-UHFFFAOYSA-N 211.224 1.291 30 50 BDEA CCc1cnccc1B1OC(C)(C)C(C)(C)O1 198023788 BKBHLSPBUNGBIT-UHFFFAOYSA-N 233.120 1.943 30 50 BDEA C/C(=N\NC(=N)N)c1ccccc1Cl 146040896 PGIJYSCKAWTFNG-AWNIVKPZSA-N 210.668 1.547 30 50 BDEA in-vitro CC1(C)OB(c2c[nH]c3cccnc23)OC1(C)C 206180961 GXWUKWMFSGHGOQ-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA Cc1ccccc1/N=C(\NN)c1ccccn1 6886947 RXUGALQZPOOTRG-UHFFFAOYSA-N 226.283 1.932 30 50 BDEA C/C(O)=N/c1nc([N+](=O)[O-])n(-c2ccccc2)n1 4110664 ASZWLQBDMWWPOH-UHFFFAOYSA-N 247.214 1.783 30 50 BDEA C=C(Cl)C[C@H]1COC(=O)[C@@H]1[C@H](O)/C=C/C 43762660 OTWNTTILLXMNHL-FPSIUDEGSA-N 230.691 1.855 30 50 BDEA Cc1cnc(N(C)C[C@@H](C)C#N)nc1C 270739133 WZQKTYFFVIPTSC-QMMMGPOBSA-N 204.277 1.689 30 50 BDEA CCCN(c1cc(C#N)ncn1)C1CC1 170087412 KDWJFRXNICZOSB-UHFFFAOYSA-N 202.261 1.727 30 50 BDEA N#CC1CN(C(=O)CCc2cc(Cl)no2)C1 1857683141 DETNKJAERVBJCA-UHFFFAOYSA-N 239.662 1.243 30 50 BDEA COCc1cc(C)nc(N2CCOCC2)c1C#N 19118115 DHGUVBKFYXIQJP-UHFFFAOYSA-N 247.298 1.245 30 50 BDEA aggregator OC1(C#CCN2CCCC2)CCCCC1 274361 KGFWEMXZEJKCKM-UHFFFAOYSA-N 207.317 1.781 30 50 BDEA C/C=N/NS(=O)(=O)c1c(C)cc(C)cc1C 4822844 RIRRYEMSKSOQER-LFYBBSHMSA-N 240.328 1.896 30 50 BDEA COc1ccc([C@]2(C)O[C@@H]2C#N)c(OC)c1 309510681 TURGEJKDKJHGRW-NEPJUHHUSA-N 219.240 1.841 30 50 BDEA C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 38418596 DGEZDWGCGXHLEW-LLVKDONJSA-N 249.266 1.942 30 50 BDEA CC1(C)OB(c2ccc(C#N)o2)OC1(C)C 169794688 FJXFCIJNLDIHNE-UHFFFAOYSA-N 219.049 1.450 30 50 BDEA C=CCn1nnnc1NCc1ccc(OC)cc1 7601962 QNMCDRSOGCFQAJ-UHFFFAOYSA-N 245.286 1.480 30 50 BDEA CCN(CC#N)Cc1ccc2nccnc2c1 602451535 ZOVPGHOIMBEDBD-UHFFFAOYSA-N 226.283 1.975 30 50 BDEA CC(C)(C)OC(=O)N1CC2CC1(C=O)C2 238145077 NTTHGKHKOKQXCD-UHFFFAOYSA-N 211.261 1.585 30 50 BDEA O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CO1 1875373337 YTLNMJSIHPOLIP-SECBINFHSA-N 245.200 1.720 30 50 BDEA CC1(C)OB(c2cccc(C#N)c2)OC1(C)C 169743513 FIGQEPXOSAFKTA-UHFFFAOYSA-N 229.088 1.857 30 50 BDEA in-vitro CO[C@H]1CN(C(=O)C(C)(C)C#N)CC[C@@H]1C 187887908 ZYNNWAYHUMWKRF-UWVGGRQHSA-N 224.304 1.420 30 50 BDEA CC1(C)OB(c2ccc(O)c(C#N)c2)OC1(C)C 169746777 PUOBFTBTFCPICR-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA in-vitro C/C(=N/N=C(/N)S)c1ccccc1[N+](=O)[O-] 15923570 ZXTPCFPNMVQYEQ-WDZFZDKYSA-N 238.272 1.563 30 50 BDEA aggregator Cc1ccc(CC(=O)NCC2(CC#N)CC2)cn1 225481458 JHPBFOTZQZHDCX-UHFFFAOYSA-N 243.310 1.743 30 50 BDEA C=C1CC(C)(C(=O)NCc2cnn(C)c2C)C1 585131910 JUPQFIOFVBIHEU-UHFFFAOYSA-N 233.315 1.701 30 50 BDEA C[C@@H]1C[C@@H](C(=O)O)CN(c2cnccc2C#N)C1 263286388 YBRIIUVNUQQKDQ-MWLCHTKSSA-N 245.282 1.500 30 50 BDEA C#CCOc1ccc(Br)cc1CO 2838147 KTEZMPUCEZUBDN-UHFFFAOYSA-N 241.084 1.953 30 50 BDEA C=CCNC(=S)NC(=O)c1cccs1 2905880 NMZLIILSVYVJMW-UHFFFAOYSA-N 226.326 1.538 30 50 BDEA CN[C@H]1CCN(c2ccc(C#N)c(C)n2)C1 261591432 VIDBXLCVCMOTOX-NSHDSACASA-N 216.288 1.060 30 50 BDEA N#Cc1c(F)cccc1OC[C@H]1C[C@@H](O)C1 334997059 RDROTRNZACJFTR-DTORHVGOSA-N 221.231 1.847 30 50 BDEA CC1=C[C@@H]2C=C[C@@H]3C[C@H](OS(C)(=O)=O)[C@@H]1[C@H]32 253589473 GIANXRWUNDVYDF-MJDLHHQISA-N 240.324 1.729 30 50 BDEA N/C(=N/OC(=O)c1ccccc1)c1ccccn1 18173033 AVIVHVXKBBXBMQ-UHFFFAOYSA-N 241.250 1.559 30 50 BDEA N#Cc1ccc(Cl)cc1N[C@@H]1CNC(=O)C1 225825547 HZTRUFNNFRYAAH-VIFPVBQESA-N 235.674 1.512 30 50 BDEA COS(=O)(=O)[C@H](C)c1ccccc1 3136987 LYLZSPAGFLGQTN-MRVPVSSYSA-N 200.259 1.724 30 50 BDEA C=CCNCc1ccc2c(c1)n(C)c(=O)n2C 6678560 KJBDFDIZZQAADT-UHFFFAOYSA-N 231.299 1.153 30 50 BDEA C=CCn1cc(CNCc2nnc(C)o2)c(C)n1 55568643 SZOLRHVJMXUPQV-UHFFFAOYSA-N 247.302 1.359 30 50 BDEA CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C)n1 211226460 XSOLSBSVCSWTEM-UHFFFAOYSA-N 236.124 1.511 30 50 BDEA CCCCOC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1O[C@@H]21 254344501 PUSQGAQLNXZHQQ-MVCUBJFGSA-N 210.273 1.753 30 50 BDEA Cc1c(-c2ccc(C#N)s2)cnn1CC(=O)O 1875346448 DSYCIGMTGKFVTM-UHFFFAOYSA-N 247.279 1.876 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H](C#N)[C@H](O)C1 84238931 KUAAPLIYEFPNBA-DTWKUNHWSA-N 226.276 1.128 30 50 BDEA in-vitro C#CCN[C@H](C(C)C)[C@@H](O)c1ccccc1 390306570 DUPPCYAIRPLLJL-KGLIPLIRSA-N 217.312 1.967 30 50 BDEA N#Cc1cccnc1N1CCC[C@@H](F)C1 166285167 XXHHBYMYKZUPAS-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA CC1(C)OB(c2cccc(F)c2C#N)OC1(C)C 169904244 TXGKJULMHJEZTA-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro C=C1CN(C(=O)NC[C@@H]2Cc3ccccc32)C1 1629925489 MZGGSDREYXXWRE-LBPRGKRZSA-N 228.295 1.908 30 50 BDEA COc1ccc(C(=O)C[n+]2ccn(C)c2)cc1 13154409 VJQQKNDOEAEJMS-UHFFFAOYSA-N 231.275 1.204 30 50 BDEA O=C(O)C/N=C1/CCc2ccccc2N1 1870429 WIMRYHOZLBQVIW-UHFFFAOYSA-N 204.229 1.528 30 50 BDEA biogenic N#CCNC(=O)c1ccccc1Br 2871010 NCESPLNREYITQW-UHFFFAOYSA-N 239.072 1.702 30 50 BDEA C[C@@H](C(=O)N1CCOC[C@@H]1C#N)c1ccccc1 182888594 UPEJIEBJGSRWKD-YPMHNXCESA-N 244.294 1.541 30 50 BDEA CO[C@@H](C)CCC(=O)Nc1ncc(C#N)s1 864091718 HNOWXDZHCNTICR-ZETCQYMHSA-N 239.300 1.768 30 50 BDEA CC(=O)Nc1cccc(C#Cc2cnn(C)c2)c1 888096425 UWJHSAQTMMZFEA-UHFFFAOYSA-N 239.278 1.778 30 50 BDEA C=CCN(CC(=O)O)C(=O)c1cscc1C 86815100 YGHUBCPDKSWKPZ-UHFFFAOYSA-N 239.296 1.769 30 50 BDEA Cc1nn(-c2cc(F)ccc2F)c(N)c1C#N 38537109 MOWGIQYVXLFKHE-UHFFFAOYSA-N 234.209 1.913 30 50 BDEA in-vitro C#C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 167055146 CNAPMSFDUVOQRH-MRVPVSSYSA-N 243.715 1.640 30 50 BDEA CC1(C)OB(c2ccccc2[N+](=O)[O-])OC1(C)C 169743614 VLJYUDGCEKORNG-UHFFFAOYSA-N 249.075 1.894 30 50 BDEA in-vitro [O-][n+]1cccc2c1-c1ccccc1/C2=N/O 230010 QWESWJQGNYBJSA-QBFSEMIESA-N 212.208 1.527 30 50 BDEA N=C(N)N/N=C/c1ccccc1Br 1233210 AVXKQDSMHJFZGZ-LFYBBSHMSA-N 241.092 1.266 30 50 BDEA C#CCOc1ccc(/C=C/C(=O)O)cc1OC 2597290 BJMVRUIGQYIBKW-FNORWQNLSA-N 232.235 1.805 30 50 BDEA CCOC(=O)C[C@@H](N)c1cccc(C#N)c1 2582556 RQXNTACIGAQAHX-LLVKDONJSA-N 218.256 1.511 30 50 BDEA C#CCOc1ccc(C(=O)NCCOC)cc1 6747109 TVSJPJXHCVAKJV-UHFFFAOYSA-N 233.267 1.075 30 50 BDEA C#CCN(CC#N)Cc1ccc(CO)cc1 252491948 MACYKTFYRZRUDM-UHFFFAOYSA-N 214.268 1.138 30 50 BDEA CC#CC(=O)NCCC1Cc2ccccc2C1 283150055 JHNBRSROBQTFNJ-UHFFFAOYSA-N 227.307 1.931 30 50 BDEA Cc1ncccc1/C(O)=N/C[C@@H]1COCCO1 330699563 HPLKYFOHWFCUJZ-SNVBAGLBSA-N 236.271 1.110 30 50 BDEA C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(OC)c1 452973768 KAONYRPBFAVDKJ-OLZOCXBDSA-N 247.294 1.769 30 50 BDEA O=C(/C(=N\O)c1ccco1)c1ccco1 95917808 RSLKNHHWFJLREX-LUAWRHEFSA-N 205.169 1.934 30 50 BDEA N#Cc1c(Br)nc2n1CCC2 260928555 IQKJEEWLHIPKJK-UHFFFAOYSA-N 212.050 1.463 30 50 BDEA C[C@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)O 700402277 GFAVNKLTLDALGH-SFYZADRCSA-N 242.275 1.514 30 50 BDEA C[C@@H](Cc1cccc(F)c1)C(=O)NCC#N 195453352 RHEMEBJCEANDQM-VIFPVBQESA-N 220.247 1.644 30 50 BDEA COc1ccc(/C=C(\C)C(=O)NO)cc1 4529098 KHIRBYSUSBKJIF-BQYQJAHWSA-N 207.229 1.604 30 50 BDEA CC1=NO[C@H](CNCc2cccc(C#N)c2)C1 585117237 VWGAFHVZECRVRN-ZDUSSCGKSA-N 229.283 1.813 30 50 BDEA C=CCn1c(S)nnc1Cc1cccn1C 6319694 JKJHALCWZBNECS-UHFFFAOYSA-N 234.328 1.682 30 50 BDEA C#CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C 109335466 FLDPJIVKCQYTRU-LLVKDONJSA-N 238.331 1.561 30 50 BDEA CN(C)/C=C1\COc2ccc(F)cc2C1=O 32919012 POFSJEXSJYCNJR-SOFGYWHQSA-N 221.231 1.846 30 50 BDEA CC(=O)/C=N/N(C)C(=S)NCc1ccccc1 670418837 PLRNUPAQYQNFMY-RIYZIHGNSA-N 249.339 1.568 30 50 BDEA CC(C)Oc1cccc(CNC(=O)[C@H]2CO2)c1 1875372661 KKPLXFGFALUQSY-GFCCVEGCSA-N 235.283 1.489 30 50 BDEA CC/N=C(\NCC)NC[C@H]1CCC(C)(C)O1 186023862 XQWVDTUFQWOUHN-SNVBAGLBSA-N 227.352 1.519 30 50 BDEA CC1(C)OB(c2ccc(CCN)cc2)OC1(C)C 204289272 BTJCRQZQPAWOFC-UHFFFAOYSA-N 247.147 1.487 30 50 BDEA in-vitro C=C(CCC)C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 1615585958 GATPWIMPAVTKAH-WOPDTQHZSA-N 223.316 1.715 30 50 BDEA CCOc1ccc(N/C(S)=N/CCO)cc1 4134518 BPZRSWQUXMBCNF-UHFFFAOYSA-N 240.328 1.775 30 50 BDEA COc1ccc(CN2C[C@@H](C#N)CC2=O)cc1 11893963 AYIUHYQCJLNMEK-LLVKDONJSA-N 230.267 1.567 30 50 BDEA N#Cc1cccnc1N1CC[C@H]2COCC[C@H]21 1875271551 IDCNFSLFOXAUDK-NWDGAFQWSA-N 229.283 1.568 30 50 BDEA N#Cc1cnn(-c2nc3ccccc3[nH]2)c1N 125779 UVOPZSYXOSROEV-UHFFFAOYSA-N 224.227 1.202 30 50 BDEA C/C(Nc1ccccc1O)=C1\C(=O)CSC1=O 2981322 NFKYZSVPJFDVMH-XFFZJAGNSA-N 249.291 1.921 30 50 BDEA C[C@]1(c2ccccc2)CN(CC#N)CCN1 20791728 SBHKBHBLGUHFDA-CYBMUJFWSA-N 215.300 1.331 30 50 BDEA CC(=O)C(=O)CB1OC(C)(C)C(C)(C)O1 170007081 ZOFAKQMPKBQKTR-UHFFFAOYSA-N 212.054 1.237 30 50 BDEA C#C[C@@H](CCC)/N=C(/NC)NCc1ccco1 253430552 MQRBHVCFAUCZEM-NSHDSACASA-N 233.315 1.747 30 50 BDEA N#Cc1noc(C(=O)c2ccccc2)c1N 4745521 GKHVYZGKFJOVHL-UHFFFAOYSA-N 213.196 1.359 30 50 BDEA CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198088693 QKGTYOKKQHKHQB-UHFFFAOYSA-N 248.135 1.447 30 50 BDEA CC1(C)OB(c2cnn3ccccc23)OC1(C)C 169747776 JAJULIZEUUBTGU-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA in-vitro C#CC1(O)CCN(C(=O)OC2CCC2)CC1 708149399 RWIHAFVRCAJBIN-UHFFFAOYSA-N 223.272 1.136 30 50 BDEA N#C/N=C1\COCCN1Cc1ccccc1F 1775984997 GQSXPKLAZXFCRG-NTCAYCPXSA-N 233.246 1.537 30 50 BDEA O=C(C[n+]1ccccn1)c1ccc(Cl)cc1 5716807 YDOSQSZBVKVSRW-UHFFFAOYSA-N 233.678 1.905 30 50 BDEA CC(C)c1cc(C(=O)N(C)[C@H](C)C#N)on1 602422579 GLQDNCDFWBAXOU-MRVPVSSYSA-N 221.260 1.782 30 50 BDEA CN(C)c1ncc(N=C(O)[C@H]2CCC(O)=N2)cn1 328651111 JOUDPCCZUMHUMH-MRVPVSSYSA-N 249.274 1.250 30 50 BDEA N#Cc1ccc(N2CCO[C@H](CF)C2)cc1 334584642 NNPGDQPSVKBKMN-GFCCVEGCSA-N 220.247 1.733 30 50 BDEA CC(C)(C(=O)NCC#N)c1ccc(F)cc1 264231159 YBGISIBZISLVME-UHFFFAOYSA-N 220.247 1.743 30 50 BDEA O=C(NC1(c2ccc(Cl)cc2)CC1)[C@@H]1CO1 1875373039 SIAWOGJRBLGOHU-JTQLQIEISA-N 237.686 1.844 30 50 BDEA CCc1cccc(CO)c1OC[C@H]1CO1 1875389769 KZISBPBKVCZZCH-LLVKDONJSA-N 208.257 1.519 30 50 BDEA COc1cc2c(cc1OC)/C(=N/N)NC(C)(C)C2 170246 AXOFLCFUCYOTNG-UHFFFAOYSA-N 249.314 1.248 30 50 BDEA Cc1cc(C(F)(F)F)nc(O)c1C#N 12357583 KJPCSAVVWNUZOG-UHFFFAOYSA-N 202.135 1.986 30 50 BDEA in-vitro C[C@@H]1C[C@H](N(C)c2nccc(C#N)n2)CCN1C 297133095 NCOOXKJQOQEDEH-ZYHUDNBSSA-N 245.330 1.267 30 50 BDEA CCOC1CN(C(=O)[C@@](C)(C#N)CC)C1 332071149 UTHPOVCFFPCJFX-LLVKDONJSA-N 210.277 1.174 30 50 BDEA CCC#CCN1CCC[C@]2(CCNC2)C1 822523040 MOGMBAXGJCPKOO-CYBMUJFWSA-N 206.333 1.475 30 50 BDEA Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1 8648833 IMPQPQKUDMOZHV-UHFFFAOYSA-N 202.135 1.574 30 50 BDEA COc1cccc(Cn2cc(C#N)cn2)n1 253393533 FZSHLUZRMSSFEO-UHFFFAOYSA-N 214.228 1.207 30 50 BDEA Cc1cnnn1CB1OC(C)(C)C(C)(C)O1 950757555 TXZHVIVBPHILKC-UHFFFAOYSA-N 223.085 1.218 30 50 BDEA CC#CC(=O)N[C@@H]1[C@H](C#N)CCC12CCOCC2 1875367693 FHEJHWFQYXYEQN-WCQYABFASA-N 246.310 1.225 30 50 BDEA CC(C)c1cc(N2CCC[C@H](C#N)C2)nc(N)n1 91754681 MHSDMNNXGQVORM-SNVBAGLBSA-N 245.330 1.922 30 50 BDEA C=CCOc1ccc(/C=N/NC(N)=S)cc1 13544330 USOSCKMQLYKTNZ-MDWZMJQESA-N 235.312 1.419 30 50 BDEA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@]21C=O 1857780848 VJNXTYPBBWDBGA-SBMIAAHKSA-N 225.288 1.879 30 50 BDEA CC(C)(C)OC(=O)N1CC(C#N)(CCC=O)C1 1857787122 HZVOSTAIUTXNOF-UHFFFAOYSA-N 238.287 1.726 30 50 BDEA CC1(C)Cc2ccccc2C2=CC(=O)C(=O)N21 4008317 OLXYPWURGPMTCH-UHFFFAOYSA-N 227.263 1.774 30 50 BDEA biogenic CC#CCN1CC=C(C[C@@H](C)NC(=O)CC)CC1 67967416 DFVZUVSOMMIDQE-CYBMUJFWSA-N 248.370 1.947 30 50 BDEA Cc1ccc(-n2c(C)nn(CC#N)c2=O)cc1 4072972 BZNVTMZPUWOKOC-UHFFFAOYSA-N 228.255 1.174 30 50 BDEA Cc1ccnc(N2CC([C@H]3CCOC3)C2)c1C#N 366497108 YRQRDVQTYNUTSF-NSHDSACASA-N 243.310 1.734 30 50 BDEA CC1(C)CC[C@H](CO)N(c2ccc(C#N)cn2)C1 585132709 OFWRRBVWDAYKBK-GFCCVEGCSA-N 245.326 1.941 30 50 BDEA O=C(N[C@@H]1CSC/C1=N\O)c1ccccc1 12375917 JOEJVVSLZQCOBM-YPJZTRPGSA-N 236.296 1.362 30 50 BDEA biogenic C#C[C@](C)(CC)OC[C@H](O)CN1CCCC1 12421409 HPMKZAIQFDBENL-CHWSQXEVSA-N 225.332 1.262 30 50 BDEA N#CCOc1ccc(OC[C@@H]2CO2)cc1 1857779670 XIECRJVUDARDOZ-LLVKDONJSA-N 205.213 1.367 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccc(C)cc1 2903472 DLEAVTRIRJAQTC-UHFFFAOYSA-N 218.256 1.236 30 50 BDEA COc1ccc(OC[C@@H]2CO2)cc1OC 59467700 NXZRPCSZNMYJTR-SECBINFHSA-N 210.229 1.481 30 50 BDEA C[C@@H](O)CCN(C)c1cc(C#N)ccn1 135594447 DVDDREJEVKGSII-SECBINFHSA-N 205.261 1.160 30 50 BDEA CC#CC(=O)N1c2ccccc2C[C@@H]1C(=O)OC 1875363018 PANSXFCFDWMYEF-GFCCVEGCSA-N 243.262 1.141 30 50 BDEA CC#C[C@@H](CC(=O)O)c1ccc(O)cc1 95630745 QFYGPUAIMQUIOO-JTQLQIEISA-N 204.225 1.974 30 50 BDEA in-vitro CC1(C)OB(CCC(=O)O)OC1(C)C 169746575 KOEHRDXIOARYAC-UHFFFAOYSA-N 200.043 1.553 30 50 BDEA in-vitro C=C(C)CNC(=O)NCc1cn2ccccc2n1 156743927 CQUZKQMXHZKEDL-UHFFFAOYSA-N 244.298 1.710 30 50 BDEA N#Cc1ccc(N2CCC(O)CC2)cc1 19867697 AIFMEOHBBANOOK-UHFFFAOYSA-N 202.257 1.519 30 50 BDEA C#C[C@](C)(CC)OC[C@H](O)CN1CCCCC1 12421389 OJTTYYYGLUPSRM-ZIAGYGMSSA-N 239.359 1.652 30 50 BDEA CO[C@@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)c1 588012270 LAQZPYPTFAFKQJ-ZWNOBZJWSA-N 231.299 1.602 30 50 BDEA OCC1(C/N=C(/O)C[C@H]2CCOC2)CCCC1 329959832 NOKUCUBFPSSXCE-LLVKDONJSA-N 241.331 1.922 30 50 BDEA Cc1coc(C)c1/C(O)=N/Cc1nc[nH]n1 330470014 MCURPPJNVRZNFY-UHFFFAOYSA-N 220.232 1.519 30 50 BDEA CCCCCCCCS(=O)(=O)CCN 2865194 DILGKNOZPAWKCO-UHFFFAOYSA-N 221.366 1.720 30 50 BDEA C/C(=N/C#N)NCc1ccc(Cl)nc1 43763933 AYEAUPRZTZWBBF-UHFFFAOYSA-N 208.652 1.724 30 50 BDEA CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 169747188 VZNAKHVRKWXDMU-UHFFFAOYSA-N 248.135 1.731 30 50 BDEA in-vitro C#CCN(C)C(=O)c1cc(F)cc2[nH]cnc12 191071643 ZAASXPHLUBUCNI-UHFFFAOYSA-N 231.230 1.407 30 50 BDEA CC#CC(=O)Nc1cc2c(cc1C)OCO2 801186591 VYWPDHFCMKQYQR-UHFFFAOYSA-N 217.224 1.686 30 50 BDEA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(C#N)cc1 131645933 ZNFFCOQGIYBELZ-ZWNOBZJWSA-N 243.310 1.510 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccc(O)cc1 228454 RLTFLKFAZKEDPK-KPKJPENVSA-N 216.244 1.483 30 50 BDEA Cc1n[nH]c(=S)n1/N=C/c1ccccc1O 6557125 KGOICUJVOBKFLJ-IZZDOVSWSA-N 234.284 1.837 30 50 BDEA CC(C)(C#N)CNc1ccnc(C#N)c1 309021090 WZSRJXUTRSXAQA-UHFFFAOYSA-N 200.245 1.915 30 50 BDEA C[C@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(F)F 334687230 SZPQHMOPONKTKC-LURJTMIESA-N 227.214 1.660 30 50 BDEA C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@]1(C)O 92028509 JHLDHTBLNADWMI-YGRLFVJLSA-N 244.294 1.401 30 50 BDEA O=C(NCc1cccc(OC(F)F)c1)[C@@H]1CO1 1875372707 LDBHIUXHUXGDKK-VIFPVBQESA-N 243.209 1.303 30 50 BDEA C#C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1 167055037 CNAPMSFDUVOQRH-QMMMGPOBSA-N 243.715 1.640 30 50 BDEA C#CCOc1ccc(C(=O)O)cc1OC 9237123 JQBULVBEPSHSEW-UHFFFAOYSA-N 206.197 1.405 30 50 BDEA in-vitro CC#CC(=O)NC[C@H]1OCCc2ccsc21 1875378442 DAMXCZGNKWMAGT-SNVBAGLBSA-N 235.308 1.501 30 50 BDEA N#C[C@@H](C(=O)CN1CCOCC1)c1ccccc1 20638469 OEZMCPTWWXPCKG-CYBMUJFWSA-N 244.294 1.195 30 50 BDEA N#Cc1c[nH]c(C(=O)NCCc2cccnc2)c1 175213631 URAWXZYFOOZJLC-UHFFFAOYSA-N 240.266 1.254 30 50 BDEA CN1CCC[C@@H]1CNCc1cccc(C#N)c1 221147786 CRONDXDDHXVCBT-CQSZACIVSA-N 229.327 1.742 30 50 BDEA N#CCc1ccc(NC(=O)c2ccncn2)cc1 396992995 GNVRUWBAFHYKRU-UHFFFAOYSA-N 238.250 1.795 30 50 BDEA N#Cc1cccc(NC(=O)N[C@H]2C[C@@H](N)C2)c1 1580076018 NTJGCSQGXLIMGG-JGZJWPJOSA-N 230.271 1.169 30 50 BDEA COc1cc(Cl)cc(C#N)c1OCC(=O)O 4258163 QFYALWVFZQGBBD-UHFFFAOYSA-N 241.630 1.684 30 50 BDEA N#Cc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 4811134 GDRDZXJSBMVENL-UHFFFAOYSA-N 228.211 1.711 30 50 BDEA CCOC(=O)[C@H](C)Oc1ccc(C#N)cc1OC 4820445 KYSQRDVQYNCKNY-VIFPVBQESA-N 249.266 1.897 30 50 BDEA O=C(NO)[C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21 863856997 WTTILFACZMAGOC-KXUCPTDWSA-N 223.659 1.731 30 50 BDEA C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CO2)C1 1875373362 ZEXKHVDPAIUKFL-HIFRSBDPSA-N 245.322 1.966 30 50 BDEA CCOC1(CN=C(N(C)C)N(C)C)CCCC1 263075738 HFDKYVYCFPPTCQ-UHFFFAOYSA-N 241.379 1.815 30 50 BDEA N#Cc1ccc(OCC(F)(F)F)nc1 124431 JCCWYJAWPPUERF-UHFFFAOYSA-N 202.135 1.894 30 50 BDEA C#CCN(CC#N)C(=O)c1ccccc1Cl 253393608 UBZJYIHONLMFQF-UHFFFAOYSA-N 232.670 1.939 30 50 BDEA N#CC1(CNC(=O)[C@@H]2CC2(F)F)CCC1 335644936 YRDSYYOKWFNHMP-ZETCQYMHSA-N 214.215 1.452 30 50 BDEA C[C@@H](CN1CCCC1=O)Nc1ccc(C#N)nc1 176828254 YDEXCFCGMCDFJO-JTQLQIEISA-N 244.298 1.376 30 50 BDEA C=CCNC(=O)c1cccc([N+](=O)[O-])c1 4672504 UVHPFKJMRJSXSX-UHFFFAOYSA-N 206.201 1.511 30 50 BDEA CC#CC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 836832076 JFWKLGQZWILCLT-NWDGAFQWSA-N 223.316 1.577 30 50 BDEA CCOC1CNC(=NCc2ccccc2)NC1 1775993916 OGSZEOXWQUIXCY-UHFFFAOYSA-N 233.315 1.141 30 50 BDEA C=CCNCc1ccc2c(c1)OCCO2 6746478 LZTXVWYQTCTGLZ-UHFFFAOYSA-N 205.257 1.733 30 50 BDEA CCOC(=O)[C@H]1CCCN(CCC#N)C1 52710538 CYEHJKMCJBHEMZ-JTQLQIEISA-N 210.277 1.175 30 50 BDEA CCN1CCC(C#N)(c2ccccn2)CC1 147655179 OYRDSCOBNLBNMX-UHFFFAOYSA-N 215.300 1.959 30 50 BDEA CCC#CCN1CCn2nc([C@H](C)O)cc2C1 217743124 DTHAJAYRFCMOCP-NSHDSACASA-N 233.315 1.165 30 50 BDEA N#Cc1cnn(Cc2nccn2C(F)F)c1 335569312 UFBXYPVARBHYJJ-UHFFFAOYSA-N 223.186 1.395 30 50 BDEA C#CCOCSc1nc2nc(C)cc(C)n2n1 292773765 UDQLNTYNIFTUQO-UHFFFAOYSA-N 248.311 1.441 30 50 BDEA CCCCCCCN1C[C@H](O)C[C@H]1C(=O)O 71788288 QWMDYNIEGNYUSY-MNOVXSKESA-N 229.320 1.477 30 50 BDEA in-vitro C#Cc1ccc(-c2nnc(-c3ccncc3)[nH]2)nc1 1775986691 INZFTFJJEWMCHJ-UHFFFAOYSA-N 247.261 1.910 30 50 BDEA CC#CC[C@H](CO)NCc1ccc(F)c(C)c1 585116887 LMFPZWDEFAVNHJ-CYBMUJFWSA-N 235.302 1.998 30 50 BDEA C[C@]1(C/N=C(/O)Nc2ccncn2)CCOC1 331301072 RHVKVGUDBPIYBP-LLVKDONJSA-N 236.275 1.229 30 50 BDEA CN1C(=O)CS/C1=N\CCc1ccccc1 15938138 BXNYHOFIALYYPE-SEYXRHQNSA-N 234.324 1.790 30 50 BDEA CCOC(=O)[C@]12C[C@@H]1/C(=N\O)c1ccccc1O2 100058085 FXCTZFMSAHZQTR-GCHJSVLMSA-N 247.250 1.579 30 50 BDEA in-vitro CCCCOC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1O[C@H]12 254344499 PUSQGAQLNXZHQQ-APLZJWDSSA-N 210.273 1.753 30 50 BDEA C[C@@H](Cc1ccc(C#N)cc1)NC(=O)[C@H]1CO1 1875372376 DWGHMXZHVVHILT-JOYOIKCWSA-N 230.267 1.004 30 50 BDEA C=CCN(CCOC)Cc1ccnc(N)c1 193579318 KICCCUOUHRBODW-UHFFFAOYSA-N 221.304 1.298 30 50 BDEA N#Cc1ccc(C(=O)N2CCOCC2)cc1 8983766 YAKOUCKNNNLXIH-UHFFFAOYSA-N 216.240 1.031 30 50 BDEA in-vitro C#CCn1c(CCCO)nc2ccccc21 12342726 GXEGVMSFQCPMEJ-UHFFFAOYSA-N 214.268 1.594 30 50 BDEA C=C1CN(C(=O)NCC[C@H]2CCO[C@@H](C)C2)C1 1671590959 FNSGUECYBPHJDK-RYUDHWBXSA-N 238.331 1.773 30 50 BDEA C=CCN(C(C)=O)c1ccc(OC)cc1O 397493 LWARUYFULPWWIV-UHFFFAOYSA-N 221.256 1.940 30 50 BDEA CC(C)(C)NC[C@H](O)COc1ccccc1C#N 2009463 VCVQSRCYSKKPBA-LBPRGKRZSA-N 248.326 1.686 30 50 BDEA in-man C=CCNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 2083032 WKPCBKKBPSJRCN-QWHCGFSZSA-N 237.299 1.411 30 50 BDEA CC(=O)C(=CNCCc1ccc(O)cc1)C(C)=O 100691064 YVQXRCPKRCJFKK-UHFFFAOYSA-N 247.294 1.586 30 50 BDEA N#Cc1cnccc1N1CC[C@H](n2cccn2)C1 365811792 FLMFERCWUIJIRM-LBPRGKRZSA-N 239.282 1.601 30 50 BDEA C[C@H]1COCCN(c2c(C#N)cccc2C#N)C1 373047563 RRWUNZRVPUEAKG-LLVKDONJSA-N 241.294 1.903 30 50 BDEA C=CCCOC(=O)C(C)C(=O)OCCC=C 222375363 DLEJCSAQBKUQOM-UHFFFAOYSA-N 226.272 1.861 30 50 BDEA CN(C)/C=C/C=C1C(=O)CC(C)(C)CC1=O 49597254 PIPIQUVAQTVKFI-FNORWQNLSA-N 221.300 1.946 30 50 BDEA C=CC[C@]1(CO)CCCN(CCCOC)C1 91645497 MOAFODMDARJARL-ZDUSSCGKSA-N 227.348 1.674 30 50 BDEA C[C@@H]1O[C@H]1C(=O)N[C@H]1CCCc2ccccc21 1875322219 MNECMOZKORLRHC-TVYUQYBPSA-N 231.295 1.968 30 50 BDEA C=C[C@@](C)(CC)C(=O)NCc1ncn(C)n1 188750716 NGAFFDWGKKESBJ-NSHDSACASA-N 222.292 1.034 30 50 BDEA C[C@@H]1C[C@H](C(=O)O)CN(c2cnccc2C#N)C1 263286387 YBRIIUVNUQQKDQ-KOLCDFICSA-N 245.282 1.500 30 50 BDEA C=CCn1c(=N)n(CC(=O)O)c2ccccc21 239220 JCKSQEDEFWVBRF-UHFFFAOYSA-N 231.255 1.193 30 50 BDEA Cc1nn(-c2ccccc2)c(O)c1/C=N/N(C)C 6556349 RETAYOCBNRUFPT-NTEUORMPSA-N 244.298 1.782 30 50 BDEA CC(C)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 170004994 CCSAOVXHBKZRHL-UHFFFAOYSA-N 236.124 1.832 30 50 BDEA C=CC[C@@H](CC)NC(=O)NCc1cccnn1 241132814 JLWFOQSKWGHMPE-SNVBAGLBSA-N 234.303 1.631 30 50 BDEA Cc1cc(C#N)nc(N2CCC[C@@H]2C)n1 231897563 SHIQNBLPPNSVCV-VIFPVBQESA-N 202.261 1.645 30 50 BDEA CC1(C)OB(c2cccc(F)n2)OC1(C)C 169744872 WGPVNHXZZUGSMO-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro CC/C(=N/NC(N)=S)c1ccc(O)cc1 16512283 KILNFGGOCKZLRM-XFXZXTDPSA-N 223.301 1.340 30 50 BDEA Cc1nsc(N[C@H]2CC[S@@](=O)C2)c1C#N 328667838 LCOVXLBBWIKTSV-NZFNHWASSA-N 241.341 1.256 30 50 BDEA C=CC[C@]1(CO)CCCN(CCCCO)C1 91756274 IMPXQRXGWMWQMK-ZDUSSCGKSA-N 227.348 1.410 30 50 BDEA C[C@@]1(c2ccc3c(c2)OCCO3)O[C@H]1C#N 390238499 MHDHSZPYGUTIAC-RYUDHWBXSA-N 217.224 1.595 30 50 BDEA N#Cc1cc(Br)ccc1OCCN 165342978 VQMKWMNRQHPBOZ-UHFFFAOYSA-N 241.088 1.658 30 50 BDEA N#Cc1cccc2c(O)cc(C(=O)O)nc12 95629649 GWGAVUZLKUMIHT-UHFFFAOYSA-N 214.180 1.510 30 50 BDEA in-vitro C=C/C(O)=N/[C@H]1CCCN(C(=O)OC)C1 328597005 CJSOBKMRYRESBS-QMMMGPOBSA-N 212.249 1.360 30 50 BDEA C#CCCCOc1ccc(C(N)=S)cn1 263623318 GMMJEDFOSRXGRY-UHFFFAOYSA-N 220.297 1.508 30 50 BDEA COc1ccccc1C1(CNC(=O)[C@@H]2CO2)CC1 1875372453 GMHOIEYGBZUWDH-LBPRGKRZSA-N 247.294 1.242 30 50 BDEA COCCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 408396541 PWZCWVQOPTWSJN-NSHDSACASA-N 238.331 1.954 30 50 BDEA O[C@@H](C#CCN1CCCC1)c1ccccc1 52045 UVFFBARLBVKJGA-AWEZNQCLSA-N 215.296 1.819 30 50 BDEA C=CCn1c(N)c(C(=O)NCC)sc1=S 203970 ZYSOTOGHZLJIGB-UHFFFAOYSA-N 243.357 1.797 30 50 BDEA COCCNC(=O)[C@@H](C#N)c1ccccc1 2845903 OFKIGQQRGRUQSL-NSHDSACASA-N 218.256 1.056 30 50 BDEA C[C@H]1C2=C(CC(C)(C)CC2=O)O[C@H]1[N+](=O)[O-] 100373910 KTHZKWBAAXZSHF-QUBYGPBYSA-N 225.244 1.899 30 50 BDEA C=C[C@H](O)C(=O)N1CC[C@](F)(c2ccccc2)C1 614530972 GDKDJDFMJGDIDT-GXTWGEPZSA-N 249.285 1.631 30 50 BDEA CN(C)/C=C/C(=O)c1cccc([N+](=O)[O-])c1 96072 CNGBILRLACOBKO-VOTSOKGWSA-N 220.228 1.853 30 50 BDEA in-vitro C[C@@H]1CC=CC[C@H]1C(=O)N=c1cc[nH]cc1C#N 335935211 TYHRYZZEDUFGDE-ZYHUDNBSSA-N 241.294 1.916 30 50 BDEA N#Cc1c(NCC2(CO)CC=CC2)cc[nH]c1=N 2325789434 PZXOGQIRNZOKLF-UHFFFAOYSA-N 244.298 1.106 30 50 BDEA NC(=S)N/N=C1\CCC[C@@H](C(F)(F)F)C1 4759993 SOAURHMELIEDKY-CTAMKNGBSA-N 239.266 1.928 30 50 BDEA C#CC(C)(C)OC(=O)C(=O)NCc1ccccc1 4819031 IXZDDJRNXSSTGH-UHFFFAOYSA-N 245.278 1.258 30 50 BDEA CN1CCCC[C@H](C2=CC(=O)CCC2)C1=O 38632921 XJZQHHIPUDRJGJ-GFCCVEGCSA-N 221.300 1.924 30 50 BDEA Cn1c(B2OC(C)(C)C(C)(C)O2)cnc1Cl 169810458 MOQXZCYTVMKINQ-UHFFFAOYSA-N 242.515 1.373 30 50 BDEA in-vitro C#CC[C@H](C)N1C(=O)CN(CC(C)C)C1=O 170592676 WJIAZYNZKQCIAX-JTQLQIEISA-N 222.288 1.318 30 50 BDEA C[C@]1(O)C[C@@H](Nc2cccnc2C#N)C1 575356252 MQGUHSBXKSRYMS-DKTWLAJQSA-N 203.245 1.279 30 50 BDEA C[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C2CC2)O1 328595660 ZXOYYNXLFAWRDD-BXKDBHETSA-N 244.298 1.352 30 50 BDEA Cc1ccnc(N2CCO[C@@H](C3CC3)C2)c1C#N 373599143 WQBNVDMAXIKRTI-CYBMUJFWSA-N 243.310 1.877 30 50 BDEA CC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O 275117 OMXMYDUYAUOFRX-UHFFFAOYSA-N 249.653 1.652 30 50 BDEA in-vivo Cc1nn2cc(C#N)cnc2c1Br 1396681 PTAZGSJTFBERSM-UHFFFAOYSA-N 237.060 1.672 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccccc1F 2864668 ONWCYDSOHXVWOC-UHFFFAOYSA-N 222.219 1.066 30 50 BDEA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C#N 4770763 FMXMKURBRCYSSR-NSHDSACASA-N 232.283 1.516 30 50 BDEA O=C(C[n+]1cccc(O)c1)c1ccccc1 7644649 QELMCIIRDGYECJ-UHFFFAOYSA-O 214.244 1.563 30 50 BDEA C[C@H]1C2=C(CC(C)(C)CC2=O)O[C@@H]1[N+](=O)[O-] 100373913 KTHZKWBAAXZSHF-WKEGUHRASA-N 225.244 1.899 30 50 BDEA N#Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)N2 65405313 AMZVDPLQGNRKEI-NEPJUHHUSA-N 228.299 1.284 30 50 BDEA COC[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc21 610925254 PVPNPVSLROBVNW-TZMCWYRMSA-N 244.294 1.371 30 50 BDEA N#Cc1ccnc(NCCN2CCCOCC2)c1 286609904 IZSJRSHZCFGPNG-UHFFFAOYSA-N 246.314 1.087 30 50 BDEA C[C@@]1(C#N)CCCN(Cc2c[nH]nc2C(=O)O)C1 670452153 NBKGTTBCMMCFLS-LBPRGKRZSA-N 248.286 1.234 30 50 BDEA C#C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 95743161 BAMZOOMIXOXMGB-CYBMUJFWSA-N 239.315 1.772 30 50 BDEA in-vitro CCOc1cc(C=O)ccc1OCC#N 2767289 LJSKEBXTVKCRLQ-UHFFFAOYSA-N 205.213 1.800 30 50 BDEA in-vitro C=CCNC(=S)Nc1c(C)nn(CC)c1C 2852311 SEILGSINQROCEC-UHFFFAOYSA-N 238.360 1.992 30 50 BDEA N#Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 4810997 XJGBGFVPDBWOPM-UHFFFAOYSA-N 228.211 1.711 30 50 BDEA C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C=O 113690156 UDAVIPHGUXCSOK-IUCAKERBSA-N 213.277 1.831 30 50 BDEA Fc1ccc([C@]2(Cn3cncn3)CO2)c(F)c1 336572 UIXQTZYZQHYHRL-NSHDSACASA-N 237.209 1.482 30 50 BDEA in-vitro C#CCn1cc(CCO)c(C(F)(F)F)n1 166063548 KWHAZLXWMDRFRV-UHFFFAOYSA-N 218.178 1.070 30 50 BDEA CC(C)[C@@H](O)C1(CNc2cnc(C#N)cn2)CC1 274655951 DMBWNMRWMCRDGT-GFCCVEGCSA-N 246.314 1.557 30 50 BDEA COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 169748098 ILYKOEOLSBVPAC-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA in-vitro C[C@@H]1CN(c2cc(C#N)cnn2)C[C@@H](C2CC2)O1 408522880 DPYZEIWDZAMVSM-SKDRFNHKSA-N 244.298 1.352 30 50 BDEA CC(=O)Nc1ccc(CC#N)cc1[N+](=O)[O-] 5186386 XHJXYBIIUUFVLB-UHFFFAOYSA-N 219.200 1.619 30 50 BDEA in-vitro N/C(COc1cccc(Br)c1)=N\O 19425684 ZPRZHEMHYLHOGI-UHFFFAOYSA-N 245.076 1.574 30 50 BDEA C[C@H](C#N)C(=O)N[C@@H]1CCCC(F)(F)C1 335884925 PZDDMWYKSGNKBI-HTQZYQBOSA-N 216.231 1.840 30 50 BDEA C=CCNC(=O)C(=O)Nc1cc(C)ccc1OC 2860325 RWHMASLYPIUHHE-UHFFFAOYSA-N 248.282 1.244 30 50 BDEA CCNS(=O)(=O)c1cc(C#N)ccc1Cl 130616662 NUWCVSDBGRPTIQ-UHFFFAOYSA-N 244.703 1.510 30 50 BDEA IC#Cc1ccccn1 98044475 MPPYNDIVYHMJNR-UHFFFAOYSA-N 229.020 1.826 30 50 BDEA O=C1c2ccccc2C(=O)N1CCS 398648 UHOPWFKONJYLCF-UHFFFAOYSA-N 207.254 1.212 30 50 BDEA in-vitro COc1ccc(F)cc1C(=O)N1CC(C#N)C1 590487883 NNTSXHMBHSIQRJ-UHFFFAOYSA-N 234.230 1.430 30 50 BDEA CC#CCN=C1NC[C@@H]2CC[C@@H](C)CN12 2325801518 LVSNDECHBCWUAM-MNOVXSKESA-N 205.305 1.069 30 50 BDEA C=CCc1ccccc1OCCNCCO 3003511 LDTLLEPFICISFF-UHFFFAOYSA-N 221.300 1.376 30 50 BDEA C#CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 109335468 FLDPJIVKCQYTRU-NSHDSACASA-N 238.331 1.561 30 50 BDEA C/C(Nc1ccccc1)=C1\C(=O)O[C@H](C)C1=O 100319876 GFGCEKCOCLVJOZ-FJUNDMEASA-N 231.251 1.887 30 50 BDEA C=CCC(O)(CC=C)CN[C@H]1CCSC1 65381578 GWSHKJROKNIDLX-NSHDSACASA-N 227.373 1.965 30 50 BDEA N#CC1(NC(=O)[C@@H]2CC2(F)F)CCCCC1 336246632 YNONXNVMUXHEMS-QMMMGPOBSA-N 228.242 1.984 30 50 BDEA C[C@@H](C#N)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 700361131 XDJOLFSBHBPDNR-SFYZADRCSA-N 242.275 1.514 30 50 BDEA CNC(=O)[C@@H]1CCCc2cc(C#N)ccc21 1875268514 XEVFJAPTMIDKEF-GFCCVEGCSA-N 214.268 1.724 30 50 BDEA C=CC[C@H]1CN(C(=O)OC(C)(C)C)CC1=O 95616685 FMKOLWIQHDLUPE-VIFPVBQESA-N 225.288 1.999 30 50 BDEA in-vitro COC[C@@H]1CN(CCCC#N)C[C@H](C)O1 225488622 GYKFUKQHHFTXJL-QWRGUYRKSA-N 212.293 1.026 30 50 BDEA COc1ccc(-n2cccc(C#N)c2=O)cc1 16125402 BEDGQGYVNVJQLQ-UHFFFAOYSA-N 226.235 1.718 30 50 BDEA in-vitro C=CCNC(=O)C(=O)Nc1ccc(C)c(C)c1 1744558 VIEDDNOEEZJLMF-UHFFFAOYSA-N 232.283 1.544 30 50 BDEA CS(=O)(=O)OC(C(F)(F)F)C(F)(F)F 4716420 ASXXTXSBHCZKGP-UHFFFAOYSA-N 246.128 1.456 30 50 BDEA C[C@@H]1SCC(=O)N(c2ccc(C#N)cc2)C1=O 1396926 HOOKNEIZSBVBSJ-QMMMGPOBSA-N 246.291 1.553 30 50 BDEA C#CCN1CCOC[C@@H]1c1cccn1C 162403035 NSWULPVKEYJITQ-GFCCVEGCSA-N 204.273 1.032 30 50 BDEA Cc1nc(CCN(C)c2cccc(C#N)n2)no1 270046077 KWIXANAXQRTTKF-UHFFFAOYSA-N 243.270 1.324 30 50 BDEA N#Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 47212299 UZSOJPPOSGGMMB-UHFFFAOYSA-N 217.106 1.880 30 50 BDEA in-vitro C[C@@H](C[C@@H]1CCOC1)N=c1ccc(C#N)c(N)[nH]1 594562675 GSWWGTJXXDQCCC-UWVGGRQHSA-N 246.314 1.184 30 50 BDEA CS(=O)(=O)OCC1CC(F)(F)C1 169082908 POJIPIRETMFFIV-UHFFFAOYSA-N 200.206 1.008 30 50 BDEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169747165 RLHAGSICYJAHMN-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA C=CCOc1nc(OC)nc(N2CCCC2)n1 2492437 IFLVELMEALKYOP-UHFFFAOYSA-N 236.275 1.045 30 50 BDEA CC1=C2[C@H](O)C[C@]2(C)[C@@]2(O)CC(C)(C)C=C2C1=O 2332918146 LPGKCXYXGAAALV-WKPIXPDZSA-N 248.322 1.744 30 50 BDEA C=CCN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2727715 HMHQPIZMQKMLPS-LLVKDONJSA-N 248.257 1.233 30 50 BDEA C=CCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccccc1 57955893 GQWGWWFNFYHFND-WCQYABFASA-N 245.278 1.847 30 50 BDEA COc1cc(C(=O)N[C@@H](C)C#N)ccc1F 129250017 DIYAOXFRQDATKO-ZETCQYMHSA-N 222.219 1.476 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@H](C#CC(=O)O)C1 950757383 YJQOIVABVRECIP-SECBINFHSA-N 239.271 1.331 30 50 BDEA C[C@H](CNC(=O)[C@@H]1CO1)c1cccc(F)c1 1875372411 FSFPMCDHJRINDZ-KCJUWKMLSA-N 223.247 1.444 30 50 BDEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3COC[C@H]32)N=N1 952883495 UCEGKIGTOBUVNE-IAZYJMLFSA-N 247.298 1.103 30 50 BDEA CC(=O)c1ccc(=O)n(CCCC(C)(C)C#N)n1 195425689 ULZXVYHRTOBYJW-UHFFFAOYSA-N 247.298 1.776 30 50 BDEA COC(=O)c1ccc(B2OCC(C)(C)CO2)cc1 197291481 LOMGOLHZGKZTRH-UHFFFAOYSA-N 248.087 1.241 30 50 BDEA N#C[C@@]12C(=O)N=C(O)[C@]1(C#N)C21CCCCC1 15878354 LLBJVYQOGDETIQ-TXEJJXNPSA-N 229.239 1.467 30 50 BDEA O=C1C=C(Nc2nnc[nH]2)C[C@H](c2ccco2)C1 6662254 YOTHDTQAQOFBCM-QMMMGPOBSA-N 244.254 1.840 30 50 BDEA CCc1ccc(NC(=O)C[n+]2ccn(C)c2)cc1 2519826 ISRWMBGWRLUJJA-UHFFFAOYSA-O 244.318 1.514 30 50 BDEA O=C(C[n+]1ccncc1)Nc1ccccc1 2529495 NRLHWRMYWZTCCZ-UHFFFAOYSA-O 214.248 1.008 30 50 BDEA CCOC(=O)/C(=C/Nc1ccccc1)[N+](=O)[O-] 8801923 KTOJZPHFRXGBDD-NTMALXAHSA-N 236.227 1.780 30 50 BDEA O=C(NCc1ccccc1C1CCC1)[C@H]1CO1 1875373365 ZFNVOZOQKVQFMV-CYBMUJFWSA-N 231.295 1.969 30 50 BDEA C=CCN(C)C(=O)NCc1cccnc1N(C)C 153740865 KQXPWNPXELRITA-UHFFFAOYSA-N 248.330 1.475 30 50 BDEA C=CCN(Cc1cccs1)C(=O)[C@@H](C)N 225446884 XIOXDRFSLGTHHZ-SECBINFHSA-N 224.329 1.610 30 50 BDEA OCC1(C/N=C(/O)C[C@@H]2CCOC2)CCCC1 329959833 NOKUCUBFPSSXCE-NSHDSACASA-N 241.331 1.922 30 50 BDEA COc1ccc(NN=C(C(C)=O)C(C)=O)cc1 137376 WYZOMYNKBBYESA-UHFFFAOYSA-N 234.255 1.641 30 50 BDEA C#CCN1CCc2cc(OC)ccc2C1 852550445 HVUIFQIVAGDMNK-UHFFFAOYSA-N 201.269 1.687 30 50 BDEA CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 4754733 FTXUQLQDIMEMQN-UHFFFAOYSA-N 246.270 1.218 30 50 BDEA C[C@]12/C(=N/O)[C@@H]3[C@H]4C[C@H]5[C@@H]3/C(=N/O)[C@@H]1[C@H]5[C@H]42 253416782 DCTVZVDSTNAXOE-FOKCTZBGSA-N 218.256 1.425 30 50 BDEA CC#CCNC(=O)[C@@H]1CCC(F)(F)C1 334639280 BRKKRXIZNQKGGY-MRVPVSSYSA-N 201.216 1.561 30 50 BDEA C=C1CC(C(=O)OC)(C(=O)OC)C[C@@H]1C(C)C 43214643 QWMYRPDDYHEJES-SNVBAGLBSA-N 240.299 1.941 30 50 BDEA CC1(C)OB(c2cccn3ccnc23)OC1(C)C 231128211 ZONLLDIMAJHMLM-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA C=C1C[C@@H]1C(=O)NO[C@@H](C)c1ccncc1 1875297977 KHFROEAFUNMHFO-ONGXEEELSA-N 218.256 1.767 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@@](F)(c2ccccc2)C1 1875372794 MOEXDKVVGKZDPZ-OCCSQVGLSA-N 249.285 1.873 30 50 BDEA C=CCCc1noc([C@@H]2CCCc3nn[nH]c32)n1 952893371 IVJSZTBOSKBYLK-MRVPVSSYSA-N 245.286 1.775 30 50 BDEA CCC[C@H]1CN/C(=N/CCSCC)N1 1776004798 XSKVIWMESAUWMJ-VIFPVBQESA-N 215.366 1.457 30 50 BDEA COC(=O)CN1CCCc2cc(C#N)ccc21 408518907 JCVIEVLLYYWJNR-UHFFFAOYSA-N 230.267 1.484 30 50 BDEA C#CCN(C)C(=O)[C@@H]1CCO[C@@H](CC)C1 191126173 QMMAXIGYDCJSQV-MNOVXSKESA-N 209.289 1.283 30 50 BDEA Cc1ccc(S(=O)(=O)N=C(S)S)cc1 6522616 SZIJCAQOUZBADT-UHFFFAOYSA-N 247.366 1.899 30 50 BDEA N#Cc1ccc2c(c1)NC(=O)[C@H]1CCCN21 1384510 XHSZJQLCGQWYPQ-LLVKDONJSA-N 213.240 1.479 30 50 BDEA C#CCSc1nc2ccccc2c(=O)[nH]1 9165940 IKUINVIEJTVTCA-UHFFFAOYSA-N 216.265 1.648 30 50 BDEA O/C(=N/CC1=CCCOC1)C1(O)CCCCC1 330230756 WPGFPFXLYMPMJZ-UHFFFAOYSA-N 239.315 1.985 30 50 BDEA O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CO1 1875372465 GRDKMBWUNGEGGR-JHJVBQTASA-N 231.295 1.838 30 50 BDEA COB(OC)c1cccc2cccnc12 169879587 GIEJWPRDIRLUNJ-UHFFFAOYSA-N 201.034 1.223 30 50 BDEA in-vitro O=C(C[C@H]1C[C@H]2C=C[C@H]1C2)ON1C(=O)CCC1=O 101924272 AOGNOQQTUYLDKN-LPEHRKFASA-N 249.266 1.196 30 50 BDEA in-vitro N/C(=N\OC(=O)c1cccs1)c1ccncc1 4170120 UUOLNSCOEMEVDL-UHFFFAOYSA-N 247.279 1.620 30 50 BDEA COC(=O)C(=O)[C@@H](C#N)c1ccccc1Cl 5669509 WFCBJNYCCHZSHP-QMMMGPOBSA-N 237.642 1.689 30 50 BDEA C#CCOC(=O)c1cccc(OC[C@H](C)N)c1 1857780543 PJUQXNDBZMTWEH-JTQLQIEISA-N 233.267 1.203 30 50 BDEA COC(=O)Cc1nc(C#N)c(N2CCCCC2)o1 1857799183 QDBDEEFXCBFVKA-UHFFFAOYSA-N 249.270 1.252 30 50 BDEA CCCC(=O)NC=C1C(=O)c2ccccc2C1=O 500248 GFEXBTGRVXJTMS-UHFFFAOYSA-N 243.262 1.866 30 50 BDEA OCC#Cc1ccc(Br)cc1 4299206 XXVUZDYGEDBOHT-UHFFFAOYSA-N 211.058 1.793 30 50 BDEA COC(=O)/C=C1/Nc2ccccc2SC1=O 100053055 VGBWLEISWLDUGT-SOFGYWHQSA-N 235.264 1.788 30 50 BDEA CC1CC(N/C(O)=N/[C@@H]2CCCOCC2)C1 329230452 KAKOLYREZIGMQI-HSOILSAZSA-N 226.320 1.858 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1C(=O)O 34382988 MIVXQYMYEMUMKK-SFYZADRCSA-N 240.259 1.220 30 50 BDEA N#C[C@@]1(C(=O)NCC(F)F)CC12CCCC2 334751949 ZUHAGXHKFYXLAD-LLVKDONJSA-N 228.242 1.842 30 50 BDEA N#Cc1cccc(C2(NC(=O)[C@@H]3CO3)CC2)c1 1875373022 RYJITMNUAKHUCR-NSHDSACASA-N 228.251 1.062 30 50 BDEA CC#CC[C@@H](CO)NCc1ccc(F)c(C)c1 585116888 LMFPZWDEFAVNHJ-ZDUSSCGKSA-N 235.302 1.998 30 50 BDEA C#CCN(CC#N)CCC(=O)c1ccccc1 408515760 MTTXHDAGTSYJRY-UHFFFAOYSA-N 226.279 1.718 30 50 BDEA O=[N+]([O-])c1cccc(/C=N/n2cnnc2)c1 62859 FAUGLCGCOYUPKR-LFYBBSHMSA-N 217.188 1.069 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 18208825 HDBCLYQJIRLJOB-GFCCVEGCSA-N 230.267 1.904 30 50 BDEA in-vitro N#Cc1ccc(OCCN2CCOCC2)cc1 19840689 KQTJRPZKCNRDQC-UHFFFAOYSA-N 232.283 1.269 30 50 BDEA O=C(C#CC1CC1)N1CC2(CC2)c2ncccc21 2325794464 CJLOMNSZMLCORH-UHFFFAOYSA-N 238.290 1.873 30 50 BDEA C(=N\Nc1nnn[nH]1)\c1cccc2ccccc12 22018950 WDHRQFOMBPEJNN-JYRVWZFOSA-N 238.254 1.799 30 50 BDEA C#C[C@H](OC(=O)c1ccnc(N(C)C)c1)C1CC1 127232442 UKYHAKQJSFJURZ-LBPRGKRZSA-N 244.294 1.716 30 50 BDEA CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1ccccc1 3997632 UHYXCQUAAGEZRX-WDEREUQCSA-N 249.266 1.181 30 50 BDEA C=C(C)CN1CCN(CCOCC)[C@H](C)C1 241720938 QTNLHYZHNUOLEC-CYBMUJFWSA-N 226.364 1.605 30 50 BDEA N#C[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 241139500 JRMFBPNVHLUBPV-UWVGGRQHSA-N 232.287 1.729 30 50 BDEA C=CCNc1cc([C@@H]2CCOC2)nc(N)n1 299759459 SCBCRMBNTVHMOT-MRVPVSSYSA-N 220.276 1.161 30 50 BDEA CC#CC(=O)NCCOc1ccc(CC#N)cc1 1875363122 RDEUCFGVVUBSFP-UHFFFAOYSA-N 242.278 1.271 30 50 BDEA Cn1cccc1B1OC(C)(C)C(C)(C)O1 169743543 OEQQEXKRORJZPR-UHFFFAOYSA-N 207.082 1.324 30 50 BDEA in-vitro CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C 169743286 IYDKBQIEOBXLTP-UHFFFAOYSA-N 248.087 1.684 30 50 BDEA in-vitro C=C1C[C@H]1CNC(=O)c1c(C)cc(C)oc1=O 2325786939 GUSOHYMMZHWMNX-JTQLQIEISA-N 233.267 1.563 30 50 BDEA CC(C)NC[C@@H](O)c1ccc(N)c(C#N)c1 2307 BUXRLJCGHZZYNE-GFCCVEGCSA-N 219.288 1.172 30 50 BDEA biogenic,in-man O=C(OCc1ccccc1)ON1C(=O)CCC1=O 39223 MJSHDCCLFGOEIK-UHFFFAOYSA-N 249.222 1.404 30 50 BDEA biogenic CN(C)/C=C\C(=O)c1cccc([N+](=O)[O-])c1 12366936 CNGBILRLACOBKO-SREVYHEPSA-N 220.228 1.853 30 50 BDEA CC(=O)C(C(C)=O)=C1OC(=O)c2ccccc21 121584 MCYSFVVTAAOCGG-UHFFFAOYSA-N 230.219 1.746 30 50 BDEA CC(=O)O[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 221673097 INYGWUFTISSLHX-AGPBIVRQSA-N 208.257 1.361 30 50 BDEA N/C(=N\OC(=O)c1ccco1)c1cccnc1 90456025 MPSCDFJWZVAJAR-UHFFFAOYSA-N 231.211 1.152 30 50 BDEA CSCC[C@H]1CN/C(=N/Cc2ccccc2)N1 1775997405 DUOGPUGXWUDWMO-LBPRGKRZSA-N 249.383 1.857 30 50 BDEA CCCN=C1NC[C@H](c2ccccc2)N1 2325771367 BDRBACGFXVNNSM-LLVKDONJSA-N 203.289 1.687 30 50 BDEA CCc1nn(-c2ccccc2)c(N)c1C#N 478268 LTRKZIXDSRFKLT-UHFFFAOYSA-N 212.256 1.889 30 50 BDEA C#C[C@@H](CN1CCCCC1)N1CCCCC1 20033145 GTCGNFDJRRVHIB-AWEZNQCLSA-N 220.360 1.960 30 50 BDEA Cc1nc(C)c(C(=O)/C=C(\O)C(=O)O)o1 107444704 UAJWJCIDZOCKIJ-CLTKARDFSA-N 211.173 1.001 30 50 BDEA C[C@H](CNC(=O)[C@H]1CO1)c1cccc(F)c1 1875372413 FSFPMCDHJRINDZ-LDYMZIIASA-N 223.247 1.444 30 50 BDEA N#CCNC(=O)CCSCc1ccccc1 279535646 MWNNPCZMUBPTBK-UHFFFAOYSA-N 234.324 1.950 30 50 BDEA C/C(=N\N=C1/NC(=O)[C@@H](C)S1)c1ccco1 5061326 VBKRPEKXSJGGLY-LFKKQGMHSA-N 237.284 1.611 30 50 BDEA CC(=O)OC(C)(C)C#CCN1CCCC1 80635 KHJHYBWFSWJBAS-UHFFFAOYSA-N 209.289 1.427 30 50 BDEA C[C@](O)(C#C[C@H](O)c1cccs1)C1CC1 200831 MFICLTOGKFDEHB-JQWIXIFHSA-N 222.309 1.946 30 50 BDEA COC/C(=N/O)c1ncc(F)cc1F 116062896 HIDMWLNRQBGHFJ-GHXNOFRVSA-N 202.160 1.185 30 50 BDEA CCCNS(=O)(=O)Cc1ccccc1C#N 21050771 ZPZFCSFHAJGGGU-UHFFFAOYSA-N 238.312 1.388 30 50 BDEA OC(=Nc1cccnc1)N1CCOCC2(CC2)C1 329287246 HDRMXGPNOQAIOP-UHFFFAOYSA-N 247.298 1.740 30 50 BDEA CC(C)(C)OC(=O)N1CCC(C#N)(CO)CC1 49830189 BLZNRLWYSXQYLO-UHFFFAOYSA-N 240.303 1.520 30 50 BDEA C#CC[C@@H](C)N1C(=O)CN(CCC)C1=O 170614027 RVHGAIWAOAGYFX-SECBINFHSA-N 208.261 1.072 30 50 BDEA CN1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 170604812 ZHELMIHGWCCGQK-CYBMUJFWSA-N 243.310 1.785 30 50 BDEA CCOC(=O)CC/C(C(C)=O)=C(/C)O 135850731 CVPCFJRJUCNUJG-VQHVLOKHSA-N 200.234 1.751 30 50 BDEA C=CC[C@H]1NC(=O)N(c2cc(C)ns2)C1=O 1262385060 WPKMALZARFHPDQ-SSDOTTSWSA-N 237.284 1.452 30 50 BDEA COC(=O)C(F)(F)C(F)(F)C(F)(F)F 1847517 MRPUVAKBXDBGJQ-UHFFFAOYSA-N 228.063 1.992 30 50 BDEA C=CCn1nnnc1NCc1ccco1 6856495 RURQGVBYTZEVDY-UHFFFAOYSA-N 205.221 1.064 30 50 BDEA C=C(CO)C(=O)NC1CCCCCCC1 253419731 CFAOFLTYMDRDOR-UHFFFAOYSA-N 211.305 1.764 30 50 BDEA CO/N=C/[C@H](C#N)[C@H]1OC(=O)c2ccccc21 5248314 WYFRJKLUFWTNAF-XWXXAIOBSA-N 230.223 1.670 30 50 BDEA CN(C)[C@@H]1CCCN(c2cccc(C#N)n2)CC1 72143028 WTXQQZIFSDGRSV-CYBMUJFWSA-N 244.342 1.874 30 50 BDEA O=C1CCCc2c(OC[C@@H]3CO3)cccc21 39244524 IINAKVBHQXNCON-VIFPVBQESA-N 218.252 1.983 30 50 BDEA CC1=NN=C(O)/C1=N\Nc1ccccc1 95082637 MGDOTRWUUKVZBO-UHFFFAOYSA-N 202.217 1.801 30 50 BDEA CC#CC(=O)N[C@@H](CC)c1cccc(OC)n1 1875378868 KQRKGUIRYUYUCP-JTQLQIEISA-N 232.283 1.681 30 50 BDEA CC#CC(=O)N[C@@H]1c2cccc(F)c2O[C@@H]1C 1875363213 GTWWQHFQJSMNSX-PELKAZGASA-N 233.242 1.787 30 50 BDEA NC(=S)N/N=C/c1cc(Cl)ccc1O 6091906 RZCVFQXLRNTPQD-NYYWCZLTSA-N 229.692 1.213 30 50 BDEA Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C#N 87703 CFPPPMIHTUGGAG-UHFFFAOYSA-N 226.235 1.928 30 50 BDEA COc1ccc(-c2csc(N=C(N)N)n2)cc1 12952421 LFCQUNMSNZYLTF-UHFFFAOYSA-N 248.311 1.724 30 50 BDEA in-vitro C=C(C)[C@](C)(C#CCN1CCCC1)OC(C)=O 68205 RIHDUOOUUQQEMV-AWEZNQCLSA-N 235.327 1.984 30 50 BDEA Cn1nccc1C(=O)Nc1ccc(CC#N)cc1 94679 NNAQCTFXKZJAKD-UHFFFAOYSA-N 240.266 1.738 30 50 BDEA COC(=O)COc1ccc(C#N)cc1[N+](=O)[O-] 30834176 OWHDBLCQWMITEM-UHFFFAOYSA-N 236.183 1.018 30 50 BDEA C#CCCOC(=O)c1cccc(CN(C)C)c1 253424882 LPEUOULUENEYQM-UHFFFAOYSA-N 231.295 1.928 30 50 BDEA Cc1c(CNC(=O)[C@@H]2CO2)n(C)c2ccccc12 1875372782 MKWNVJXPBXNZOD-ZDUSSCGKSA-N 244.294 1.502 30 50 BDEA C=CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CO1 1875372470 GSPCWCZXBFPKLJ-ZDUSSCGKSA-N 242.278 1.472 30 50 BDEA CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C 169743597 DMBMXJJGPXADPO-UHFFFAOYSA-N 232.088 1.798 30 50 BDEA in-vitro C#CCN(C)C[C@@H](O)Cc1ccccc1 192223951 IIIDJOUUQXRXNN-ZDUSSCGKSA-N 203.285 1.155 30 50 BDEA CC#CC(=O)N[C@H](C)c1c(C)n[nH]c1C 910071102 UGHRAXLYSWFLMV-SSDOTTSWSA-N 205.261 1.227 30 50 BDEA COC(=O)C1=C(C)N/C(=C/c2cccs2)C1=O 4095439 SCPNKBMCVPSNLT-RMKNXTFCSA-N 249.291 1.708 30 50 BDEA CN1CCC[C@H]1CNCc1ccc(C#N)cc1 221143890 DEVUMPJLUIZGEE-AWEZNQCLSA-N 229.327 1.742 30 50 BDEA C#CCCCS(=O)(=O)N(C)C1CCCCC1 225391116 IYVOWGCAGABLOA-UHFFFAOYSA-N 243.372 1.994 30 50 BDEA N#CCc1ncc(C(F)(F)F)cc1N 238617329 MIZXOJRATUKIFT-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA Fc1ccc(/C=N/N2CCOCC2)cc1 2743311 ZIEDDVOCLIMUOS-UKTHLTGXSA-N 208.236 1.492 30 50 BDEA C=C[C@@H]1[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2 14441929 IZGRHSRWTILCID-FIXISWKDSA-N 242.322 1.853 30 50 BDEA biogenic,in-vitro N#Cc1ccccc1C[C@@H]1CCCS(=O)(=O)C1 85479488 WUCWQHPMECAYFR-NSHDSACASA-N 249.335 1.926 30 50 BDEA CC1=C2CC[C@]2(CO)[C@]2(O)CC(C)(C)C=C2C1=O 2332918150 NEUACERECJKPNT-CABCVRRESA-N 248.322 1.746 30 50 BDEA CC(=O)NCCOc1ccc(C#N)cc1 30834320 HPAKCGISTBBQIQ-UHFFFAOYSA-N 204.229 1.073 30 50 BDEA N#Cc1c[nH]c(C(=O)N[C@@H]2C=CCCC2)c1 176673646 AXXRQIAUROIDOO-SNVBAGLBSA-N 215.256 1.725 30 50 BDEA N#Cc1cc(O)cc(C(=O)O)c1Br 263624960 VOXOLMHYDNNFFL-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA OCC#Cc1ccc(N2CCCC2)nc1F 66054194 NLUUDIUPNHSUEG-UHFFFAOYSA-N 220.247 1.165 30 50 BDEA in-vitro COc1cc(C)cc(CNC(=O)[C@@H]2CO2)c1 1875372237 AOPLNWQVPHSQDE-NSHDSACASA-N 221.256 1.019 30 50 BDEA C=CCNC(=S)Nc1cccc(C)n1 15933388 BZPIKNAUWQSQBT-UHFFFAOYSA-N 207.302 1.862 30 50 BDEA N#Cc1cnc2nc(-c3ccccc3)nn2c1N 20153898 MUUWJGRLZAKKQQ-UHFFFAOYSA-N 236.238 1.245 30 50 BDEA Cn1ccc(CC/N=C(/O)N[C@H]2C=CCCC2)n1 329511921 KSUWZGRTOKREDU-NSHDSACASA-N 248.330 1.575 30 50 BDEA N#Cc1ccc(NC(=O)N[C@@H]2CCNC2)c(F)c1 97527954 JLBFRXAVCKESNM-SECBINFHSA-N 248.261 1.181 30 50 BDEA CN(Cc1ccccc1)C1CN(C(=O)CC#N)C1 342738540 JKXWZFFJMDTJLB-UHFFFAOYSA-N 243.310 1.243 30 50 BDEA O=C1[C@H]2C=C[C@@H](C2)[C@@H]1[C@@]1(O)/C(=N/O)[C@H]2C=C[C@H]1C2 257356929 LDKPYNVLEBYVCG-QWHGQZOVSA-N 245.278 1.145 30 50 BDEA CCCCCC(=O)N[C@@H](C#N)[C@@H]1CCOC1 1875363322 YFQYJGXBUDMTEG-MNOVXSKESA-N 224.304 1.612 30 50 BDEA C#CCN(C)CC(=O)N[C@H](C)c1ccccc1 170611959 OSZBLGFEOBWOQN-GFCCVEGCSA-N 230.311 1.429 30 50 BDEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccncc1 281646035 YHMNJEDOFGADDO-STQMWFEESA-N 246.310 1.793 30 50 BDEA CC#CC(=O)NCC(C)(C)Oc1ccccc1 408515942 YNDWRAMPFLEFPO-UHFFFAOYSA-N 231.295 1.984 30 50 BDEA CC(C)c1ccc(/C=N/Nc2nncn2N)cc1 5005042 AYMQVIOVPJWBKF-VGOFMYFVSA-N 244.302 1.561 30 50 BDEA N/C(=N\O)c1cccc(Br)c1 4207357 NQFJSTMFTXNUKP-UHFFFAOYSA-N 215.050 1.544 30 50 BDEA in-vitro C=C[C@@](C)(O)CC(=O)N[C@H](CO)CC(C)(C)C 225707652 CQJRXODXSPFWDJ-GXFFZTMASA-N 243.347 1.227 30 50 BDEA CC[C@H](C)[C@H](O)CNc1nccnc1C#N 264810313 OTARKVQIIWTIQB-WCBMZHEXSA-N 220.276 1.167 30 50 BDEA CC(C)(C)OC(=O)n1cccc1/C(N)=N/O 98071606 OZOPPCCPRLPORD-UHFFFAOYSA-N 225.248 1.366 30 50 BDEA c1cc([C@@H]2CCOC2)ccc1OC[C@@H]1CO1 1875379109 NKEXXRNTNMXBAW-DGCLKSJQSA-N 220.268 1.968 30 50 BDEA C=CCOc1ccc(C[C@H](N)C(=O)OC)cc1 34361925 JZATVIJICRYKPA-LBPRGKRZSA-N 235.283 1.294 30 50 BDEA in-vitro C/C(=N\n1cnnc1)c1cc(Cl)ccc1O 5816875 BDVBYDPNVHKPNU-VGOFMYFVSA-N 236.662 1.909 30 50 BDEA O=[N+]([O-])c1ccc(/C(Cl)=N/O)cc1 4716330 PIQHICJFBSZFMS-CLFYSBASSA-N 200.581 1.969 30 50 BDEA in-vitro CC(C)(C)[C@@](C)(O)C#CCN1CCCC1 68637 ARRWQQOLYYCQKF-ZDUSSCGKSA-N 209.333 1.883 30 50 BDEA N#Cc1ccc(C(=O)C[n+]2ccccc2)cc1 3124333 QMLWTLXNZBZHCW-UHFFFAOYSA-N 223.255 1.729 30 50 BDEA COc1ncccc1-c1c[nH]nc1C#N 67673450 VIAJOEZSEBGPPA-UHFFFAOYSA-N 200.201 1.352 30 50 BDEA CCOc1c(C#N)c(C(F)(F)F)nn1C 1399496 AHTJZTOHEVZDNW-UHFFFAOYSA-N 219.166 1.709 30 50 BDEA C#CC[C@H](NC(=O)Cc1ccccc1C)C(=O)O 149833429 XCVKIPLQMGAEPZ-LBPRGKRZSA-N 245.278 1.130 30 50 BDEA C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@@H](C)C1 336019727 WNHXRVNOZIEPCK-YUMQZZPRSA-N 216.231 1.650 30 50 BDEA CCOC(=O)[C@]1(C)O[C@]12C[C@H](C)N(C)C[C@H]2C 245311351 NUSPFIPXZQKSOH-URBCHYCLSA-N 241.331 1.437 30 50 BDEA N#Cc1nccnc1N1CCC=C(F)C1 272587939 VXMWURJYTFZDQP-UHFFFAOYSA-N 204.208 1.412 30 50 BDEA CN(Cc1ccnc2ccccc12)C(=O)[C@H]1CO1 1875372289 BSNAIGXDGIRKHF-CYBMUJFWSA-N 242.278 1.592 30 50 BDEA CC#CCNC1(c2noc(C)n2)CCC1 120350052 CQNIJIBLSKFDGG-UHFFFAOYSA-N 205.261 1.370 30 50 BDEA Cc1nc(/C(O)=N/Cc2nc[nH]n2)c(C)s1 330376339 HOPWALLWWJKAOC-UHFFFAOYSA-N 237.288 1.383 30 50 BDEA COC(=O)[C@H](/C=N\Cc1ccccc1)[C@@H](C)O 102319637 OFNMIRBEECJQRU-JLYGRIHLSA-N 235.283 1.427 30 50 BDEA CCC[C@H]1Cc2[nH]c(=O)c(C#N)cc2CO1 9066967 DFZLVDRZKMKTHD-JTQLQIEISA-N 218.256 1.488 30 50 BDEA biogenic N#CCNC(=O)[C@H]1C[C@@]1(F)c1ccccc1 334806879 BSLUYDHPRHMPIP-ZYHUDNBSSA-N 218.231 1.511 30 50 BDEA O=c1ccncn1CC#Cc1ccc(F)cc1 335582406 ZEUGYMYQMSQDNG-UHFFFAOYSA-N 228.226 1.434 30 50 BDEA CCNC(=NC[C@H](C)N(CC)CC)NCC 241470644 NWUXZBRRYZNDBA-NSHDSACASA-N 228.384 1.292 30 50 BDEA C[C@@H](CC(=O)O)/N=C(\O)OCc1ccccc1 82067975 HYWJKPFAIAWVHP-VIFPVBQESA-N 237.255 1.980 30 50 BDEA C=C(C)CN(CC)C(=O)COc1cnn(C)c1 193530796 KAXKACSAMBAFCG-UHFFFAOYSA-N 237.303 1.224 30 50 BDEA C=CCn1c(=N)n(CCO)c2ccccc21 19720645 YRVJEGYSKMHTCV-UHFFFAOYSA-N 217.272 1.101 30 50 BDEA CC1(C)OB(c2ccnn2CC2CC2)OC1(C)C 169955677 BDBAOKHZOZINLR-UHFFFAOYSA-N 248.135 1.592 30 50 BDEA O=C(O)C#Cc1ccc(Br)cc1 345422 GZFOMZGALYVQDX-UHFFFAOYSA-N 225.041 1.885 30 50 BDEA in-vitro CCc1nc(C#N)cc(N2CCC(OC)CC2)n1 308164938 GCMCNGGPWQQXOS-UHFFFAOYSA-N 246.314 1.526 30 50 BDEA COCc1c(C#N)c(Cl)nc(C)c1[N+](=O)[O-] 59426 KGHLPTCKXVCLBS-UHFFFAOYSA-N 241.634 1.970 30 50 BDEA N#Cc1c(N)ccn(-c2ccc(Cl)cc2)c1=O 4006254 OGOWVASUCBQRTP-UHFFFAOYSA-N 245.669 1.945 30 50 BDEA CC(C)(C)OC(=O)NCC#Cc1ccncc1 170668133 CMUKAIRUEFEMGD-UHFFFAOYSA-N 232.283 1.958 30 50 BDEA CCC[C@]1(C(=O)OCC)O[C@]1(C)COC 212098871 DVYQCXURJIAUED-GHMZBOCLSA-N 216.277 1.524 30 50 BDEA C[C@H]1c2nnc(C3CCCC3)n2CCN1CC#N 376505545 GZZSGDNGDTXKSA-JTQLQIEISA-N 245.330 1.836 30 50 BDEA CC1(C)OB(c2cccc3cn[nH]c23)OC1(C)C 169746817 KZRYMNAPWVDMDN-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro CCc1ccc(/C=N/n2cnnc2)cc1 229037 AQCNDIUVPKLJMW-VGOFMYFVSA-N 200.245 1.723 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@]1(C)C=O 114430321 IAZFNKZRJHARAP-NSHDSACASA-N 213.277 1.975 30 50 BDEA N/C(=N/O)c1ccccc1C(F)(F)F 2547347 PVKWCVFBDWTUAU-UHFFFAOYSA-N 204.151 1.800 30 50 BDEA in-vitro COc1ccc(/C=N/N=C(/N)S)cc1 5214668 TUNWURMRBJWUFJ-IZZDOVSWSA-N 209.274 1.274 30 50 BDEA biogenic CCOC(=O)/C(O)=C\C(=O)c1ccccc1 100207699 IFDFIQINWRDIHT-DHZHZOJOSA-N 220.224 1.874 30 50 BDEA Cc1c(C#N)c(N)n(C[C@H]2CCCO2)c1C 6668664 IRXYPAVDHUPTCC-SNVBAGLBSA-N 219.288 1.738 30 50 BDEA C#CCCCNC(=O)N[C@@H](C#C)C(C)C 225592564 MTUPLQYZNSQJEK-NSHDSACASA-N 206.289 1.357 30 50 BDEA CCN(C)C(=O)NCc1cccc(C#N)c1 112033213 QZVHQCNXWGBLCR-UHFFFAOYSA-N 217.272 1.720 30 50 BDEA N#CCOc1ncn(-c2ccccc2)n1 3125218 ATZJDIZWMMVYIT-UHFFFAOYSA-N 200.201 1.170 30 50 BDEA N#CCc1ccnc(C(F)(F)F)c1N 238660277 CWSVJGOSHQWFQX-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA N#C[C@@]12C(=O)N=C(O)[C@]1(C#N)C21CCCC1 15875425 GUHVGRKGSWXHSO-PHIMTYICSA-N 215.212 1.077 30 50 BDEA O=C(/C=C/c1cccnc1)c1cc[n+]([O-])cc1 25664564 QQCQONCBZQJMQO-ONEGZZNKSA-N 226.235 1.611 30 50 BDEA COc1ccccc1C[C@@]1(C)O[C@H]1C#N 306339592 KJJINABAZNYPJW-NWDGAFQWSA-N 203.241 1.919 30 50 BDEA COc1ccccc1C[C@]1(C)O[C@H]1C#N 306339595 KJJINABAZNYPJW-RYUDHWBXSA-N 203.241 1.919 30 50 BDEA CCN(CC)c1nc(C#N)nc(N(CC)CC)n1 56267 HQUSCNPBGZVMTK-UHFFFAOYSA-N 248.334 1.436 30 50 BDEA aggregator CC[C@H](COC)Nc1ccc(C#N)nc1 122466214 QGGBDXXKNBCNDN-SECBINFHSA-N 205.261 1.790 30 50 BDEA NC1=C(O)C(=O)[C@H](c2ccc(F)cc2)O1 36139393 AEZZUTLGJQLKGU-VIFPVBQESA-N 209.176 1.152 30 50 BDEA C#CCN1CCCN(C/C=C/Cl)CC1 1875387950 GWMNSLZAHOOYAA-HWKANZROSA-N 212.724 1.380 30 50 BDEA Cc1c(N)cccc1B1OC(C)(C)C(C)(C)O1 169743558 JMKMGPGFYMANCA-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA in-vitro C[C@H]1CC(C)(C)OB(c2cccc(C#N)c2)O1 169808875 HSTJHADZDZUIFL-JTQLQIEISA-N 229.088 1.857 30 50 BDEA in-vitro N#Cc1ccc(OC2(C(=O)O)CC2)cc1 300799602 WADGZBMCXUPUND-UHFFFAOYSA-N 203.197 1.554 30 50 BDEA CCc1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 306672135 ZZXYSAPREJHULS-UHFFFAOYSA-N 236.124 1.282 30 50 BDEA C=C[C@@H]1CC1(C(=O)OCC)C(=O)OCC 4566186 UOQTXZICFVMERR-MRVPVSSYSA-N 212.245 1.305 30 50 BDEA in-vitro CC(=O)C1=C(O)C(=O)N(C)[C@H]1c1ccccc1 435589 RKOZYHBRZUQYQF-NSHDSACASA-N 231.251 1.601 30 50 BDEA C=CCN[C@H]1CC(=O)N(c2ccccc2)C1=O 20271005 CNXQNTDKFOACKP-NSHDSACASA-N 230.267 1.094 30 50 BDEA C#CCN(CC#N)C(=O)c1nccc2ccccc12 252497386 QFIJCRIOADRULL-UHFFFAOYSA-N 249.273 1.834 30 50 BDEA C#CC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1 1775995842 HCEQQFDTGZPHGD-CHWSQXEVSA-N 229.279 1.736 30 50 BDEA CC(C)(C)[C@@H](C#N)NC(=O)c1cncnc1 273685914 ATWKKTVHGIAJLQ-SECBINFHSA-N 218.260 1.145 30 50 BDEA C=CCCS(=O)(=O)Nc1ccc(C)nc1O 170611103 KUUFINKPFUSRBE-UHFFFAOYSA-N 242.300 1.413 30 50 BDEA C#CCNC(=O)[C@H](C)Oc1ccc(C)c(F)c1 192576655 JVSYEIXTZHPHLF-JTQLQIEISA-N 235.258 1.651 30 50 BDEA C=C(C)CNC(=O)Nc1ccc(N(C)C)cn1 193854164 RJSVXGFMJWHPSJ-UHFFFAOYSA-N 234.303 1.845 30 50 BDEA Cc1nsc(N(C)Cc2ncc[nH]2)c1C#N 587979829 XQSUEWNQTIEPDV-UHFFFAOYSA-N 233.300 1.683 30 50 BDEA CCOC(=O)c1sc(N)c(C#N)c1C 75910 NCCMCRFYSZRBBG-UHFFFAOYSA-N 210.258 1.687 30 50 BDEA in-vitro CN(C)/C=C/C(=O)c1ccc2c(c1)OCO2 3883936 DQXBTVFTJSCGEJ-AATRIKPKSA-N 219.240 1.673 30 50 BDEA in-vitro CCC(C)(C)N/C(=N/c1cccnc1)NC#N 13579814 HKZNADVVGXKQDL-UHFFFAOYSA-N 231.303 1.918 30 50 BDEA investigational N#Cc1cccnc1NCc1ccncc1 18244367 LOTLEDCPOAPHBD-UHFFFAOYSA-N 210.240 1.960 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169743653 MBTULFIFECUURA-UHFFFAOYSA-N 219.093 1.689 30 50 BDEA C=CCOC[C@@H](O)C[S@@](=O)CCCC 4947875 LDZJGCBPDVYSKY-QMTHXVAHSA-N 220.334 1.099 30 50 BDEA C[C@H]1C[C@H](C(F)F)n2ncc(C#N)c2N1 2783401 PZTDOZPYZTUGGM-CAHLUQPWSA-N 212.203 1.765 30 50 BDEA N#Cc1ccc(N2C[C@@H](F)C[C@H]2CO)cc1 336335115 FQLCDXPHFDDUEN-JQWIXIFHSA-N 220.247 1.467 30 50 BDEA N#Cc1ccc(O)c(I)c1 44154171 XAONDNGLTPLRKO-UHFFFAOYSA-N 245.019 1.868 30 50 BDEA C=CC(=O)N(CC#N)c1ccc(OC)cc1 1875290198 FICZGVAWCYXEJZ-UHFFFAOYSA-N 216.240 1.738 30 50 BDEA COCC1(CNc2ncc(C#N)c(N)n2)CCC1 1506399325 LYZXWRUTDBDAKY-UHFFFAOYSA-N 247.302 1.159 30 50 BDEA C[C@@H](C#N)CNC(=O)[C@H]1CCC(F)(F)C1 308608634 WWVSLVXXHYYWEA-YUMQZZPRSA-N 216.231 1.698 30 50 BDEA C=C(C(=O)OC)[C@@H]1Sc2ccccc2NC1=O 2172355 FOSQOJPBMWROON-JTQLQIEISA-N 249.291 1.829 30 50 BDEA CCCOC(=O)C[n+]1cn(CC)c2ccccc21 3177804 PPWSVJDAVMORIV-UHFFFAOYSA-N 247.318 1.902 30 50 BDEA O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CO1 1875372878 ONKUMCYIYSHXDC-FRRDWIJNSA-N 247.294 1.422 30 50 BDEA COC(=O)c1cc(F)c(C)c(OC[C@@H]2CO2)c1 1875378702 JFVXWUASMVUIBR-VIFPVBQESA-N 240.230 1.698 30 50 BDEA CC1(C)COB(c2ccncc2Cl)OC1 169794692 FZBSYLRGRQBBQS-UHFFFAOYSA-N 225.484 1.503 30 50 BDEA in-vitro N#Cc1cnn2c1NCC[C@@H]2C(F)(F)F 12357597 YTBDJQJHTBGQDN-ZCFIWIBFSA-N 216.166 1.674 30 50 BDEA NC(=O)c1ccc(N=C(O)C[C@@H]2CCOC2)cn1 328828831 TYSQVCLMQOQBRD-QMMMGPOBSA-N 249.270 1.195 30 50 BDEA COC(=O)c1ccc2c(C#N)c[nH]c2c1 30678471 YBZVEPCMUWGFNW-UHFFFAOYSA-N 200.197 1.826 30 50 BDEA in-vitro O=C1CN[C@H](c2ccc(Cl)cc2Cl)N1O 19608497 ZRJJLCAXBJSTKG-VIFPVBQESA-N 247.081 1.813 30 50 BDEA COc1cc(/C=N\O)cc([N+](=O)[O-])c1OC 6170055 VNTOTONENLAUPP-YHYXMXQVSA-N 226.188 1.420 30 50 BDEA N#CC[C@@H]1CNCC[C@H]1OC(=O)c1ccccc1 1857786956 RLEKAQOENHQDNF-CHWSQXEVSA-N 244.294 1.735 30 50 BDEA C=CCn1nnnc1NCc1ccccc1F 6856482 MBSOCKHQAWSMQU-UHFFFAOYSA-N 233.250 1.610 30 50 BDEA Cc1ccc(/C(N)=N/O)c(Br)c1 129670251 LHDRRSBFVVQULG-UHFFFAOYSA-N 229.077 1.852 30 50 BDEA C=C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 263159208 OHIMORHWIVQTLI-UHFFFAOYSA-N 244.294 1.578 30 50 BDEA N#Cc1c[nH]c(-c2nc(-c3ccncc3)no2)c1 178407563 PWBFABDIKYSBGH-UHFFFAOYSA-N 237.222 1.998 30 50 BDEA CC1=CC(=O)C(C)=C(Br)C1=O 97976920 VVGUYAUHNXWDRC-UHFFFAOYSA-N 215.046 1.753 30 50 BDEA CC#CC(=O)N(C)Cc1ccc(N(C)C)nc1 1875363082 HWRBQEIMPHIYDX-UHFFFAOYSA-N 231.299 1.129 30 50 BDEA CC(C)c1ccc(C#N)c(NCC(=O)N(C)C)n1 952867108 IVBCXVQJOXFBGY-UHFFFAOYSA-N 246.314 1.577 30 50 BDEA C[C@@H]1CN(c2cc(C#N)ncn2)C[C@@H](C2CC2)O1 328595663 ZXOYYNXLFAWRDD-SKDRFNHKSA-N 244.298 1.352 30 50 BDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(O)c1 169807413 KKNJXLDMVHWJGM-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA C[C@H]1CN(c2cc(C#N)ccn2)CCS1 135600534 TUGTVEILRHVERP-VIFPVBQESA-N 219.313 1.895 30 50 BDEA COC(=O)/C(=C/c1c[nH]c2ccccc12)[N+](=O)[O-] 2903656 VPJPJUJKYXQNJD-WDZFZDKYSA-N 246.222 1.959 30 50 BDEA CC(C)(C)OC(=O)[C@H](C#N)c1ncccc1N 95494849 SLVCCPWALYATMI-MRVPVSSYSA-N 233.271 1.613 30 50 BDEA CN1C[C@]23CCCC[C@]2(C1)CN(CC#N)C3 1337638593 XNFFESWWTABLJM-STQMWFEESA-N 219.332 1.318 30 50 BDEA C=CC(=O)NCc1ccc(C)c(C#N)c1 725612043 ZFZXFOKQBBIOHK-UHFFFAOYSA-N 200.241 1.669 30 50 BDEA N#Cc1ncn(CC2(Cl)CC2)c1C#N 1615541263 YCANPCXLVJUKDU-UHFFFAOYSA-N 206.636 1.398 30 50 BDEA N#CCNC(=O)c1cc2ncccc2o1 1632150870 NVINJYZEKHDGAS-UHFFFAOYSA-N 201.185 1.081 30 50 BDEA N#Cc1ccccc1N1CCC(C(=O)O)CC1 8729996 UPPMSPCFXVKLNW-UHFFFAOYSA-N 230.267 1.859 30 50 BDEA in-vitro CC(C)NC(=O)C[n+]1csc2ccccc21 2875087 JHSJCFQWPHPYJE-UHFFFAOYSA-O 235.332 1.713 30 50 BDEA C=CCNC(=O)c1ccc2nccnc2c1 2913916 YLPQNNNQGBECNA-UHFFFAOYSA-N 213.240 1.546 30 50 BDEA OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)F 8698284 GGHXTGYWFGCELG-GSVOUGTGSA-N 244.106 1.563 30 50 BDEA C#CCN(CC=C)CCC(=O)N1CCC[C@H](C)C1 65373243 ANEGAFRCZWVBDA-AWEZNQCLSA-N 248.370 1.756 30 50 BDEA C=CCN(C)C(=O)N[C@H]1CC[C@H](F)C1 336149094 UAEWTZYSWHDPIG-IUCAKERBSA-N 200.257 1.704 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@](O)(CS)C1 76691945 YKOOSBVOKAYLHK-NSHDSACASA-N 247.360 1.678 30 50 BDEA Cn1nc(C(F)(F)F)c(C=O)c1C#N 1772717456 DDPCQIMEEWQLFI-UHFFFAOYSA-N 203.123 1.123 30 50 BDEA C/N=C(/N)NCc1cc2sccc2s1 170664666 XTMAFFBOIMLWMZ-UHFFFAOYSA-N 225.342 1.997 30 50 BDEA C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 36456794 QPMUXIIQQHTMKO-QMMMGPOBSA-N 227.260 1.076 30 50 BDEA in-vitro N#CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 121172039 SDPDIXBGJAMAHU-SKDRFNHKSA-N 238.237 1.596 30 50 BDEA N#CCCCn1cnc2ccccc2c1=O 10110147 PUEWOMFEXJHJED-UHFFFAOYSA-N 213.240 1.700 30 50 BDEA N#CCCOCC#CCN1CCCCC1 2945008 VGEQIGRLYMYVGD-UHFFFAOYSA-N 206.289 1.406 30 50 BDEA CC1(C)CC(=O)C2=C(C1)O[C@@H]1OC(=O)C[C@@]21C 4108627 QPOSCSLQBMCJNX-YPMHNXCESA-N 236.267 1.939 30 50 BDEA O=C(COc1ccccc1Cl)NO 71774017 OJFQYWJSQVDTIE-UHFFFAOYSA-N 201.609 1.224 30 50 BDEA O=C(O/N=C/c1cc[n+]([O-])cc1)c1ccccc1 71774252 KKQCVCOOGFFPCV-GXDHUFHOSA-N 242.234 1.511 30 50 BDEA O=C(N=C1N[C@H]2CCCC[C@@H]2N1)c1ccccc1 49749966 WWYKJYPDLWLCMO-RYUDHWBXSA-N 243.310 1.687 30 50 BDEA C[C@@H]1CC(O)=CC(=O)[C@H]1C(=O)OC(C)(C)C 95545611 MGWBUWIKFKKJKZ-XCBNKYQSSA-N 226.272 1.995 30 50 BDEA COC(=O)c1ccc(OC[C@@H]2CO2)cc1C 1875378595 HIJJYLKAIASKLT-SNVBAGLBSA-N 222.240 1.559 30 50 BDEA N#Cc1cc(C(=O)N[C@H]2CCCOCC2)ccn1 193763511 DWUAISMFAIXFIK-NSHDSACASA-N 245.282 1.252 30 50 BDEA CCOC(=O)C[n+]1ccc2ccccc2c1 1995071 JKEAEDMHPXBAMV-UHFFFAOYSA-N 216.260 1.690 30 50 BDEA C[C@H](NC[C@H]1CO1)[C@H]1COc2ccccc2O1 252677903 ASWWZSSOKRTFCQ-OUJBWJOFSA-N 235.283 1.203 30 50 BDEA biogenic CC(C)(C#N)S(=O)(=O)c1ccccc1 330102 IQGLVTPTSUCVDT-UHFFFAOYSA-N 209.270 1.762 30 50 BDEA O=C(/C=C/c1ccncc1)c1ccc[n+]([O-])c1 25664577 IXIMHJWDZGYUCX-ONEGZZNKSA-N 226.235 1.611 30 50 BDEA COC[C@@H]1C[C@H](OC)CN1c1cc(C#N)ccn1 284599559 QWFUKGUKNWYLHK-RYUDHWBXSA-N 247.298 1.193 30 50 BDEA COc1cnc(Br)cc1C#N 263622796 AYHONNNSBSHOIS-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA C=CC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C 146053439 ZPXOGEHHZSOFJX-QMMMGPOBSA-N 229.276 1.883 30 50 BDEA O=C(NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CO1 1875373275 XKIXNEXPWLGOPN-YNEHKIRRSA-N 247.294 1.422 30 50 BDEA C#CCN1CCC(OCC(F)F)CC1 1875389883 GALXKTLLRWUSFZ-UHFFFAOYSA-N 203.232 1.366 30 50 BDEA CC#CC(=O)N[C@H](CC)c1nccs1 801158131 FFRHRRWDBHFBAK-MRVPVSSYSA-N 208.286 1.734 30 50 BDEA COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1 169984230 LOSVCXVTPBAUOU-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA in-vitro N#Cc1cccc(C#N)c1N1CCCCN1 408458801 VFAFIFFSVIXGIW-UHFFFAOYSA-N 212.256 1.535 30 50 BDEA C[C@@](C#N)(c1ccccc1)N1CCOCC1 57497698 ZNSYKTBYWPYKBX-CYBMUJFWSA-N 216.284 1.758 30 50 BDEA C=CCC[C@H](O)CN1C[C@H](C)O[C@@H](C2CC2)C1 328588830 RFQHJDSIHSMIEA-FPMFFAJLSA-N 239.359 1.813 30 50 BDEA CC1(C)C[C@]1(C#N)NC(=O)c1cc(F)c[nH]1 335950379 MVMAGWNMNVSRHY-LLVKDONJSA-N 221.235 1.576 30 50 BDEA CC1(C)C[C@@]1(C#N)NC(=O)c1cc(F)c[nH]1 335950381 MVMAGWNMNVSRHY-NSHDSACASA-N 221.235 1.576 30 50 BDEA C=C(C)CNC(=O)c1cccc(O)c1O 160384541 CHFKBRJHTPCPDS-UHFFFAOYSA-N 207.229 1.404 30 50 BDEA Cc1ncc(N)cc1B1OC(C)(C)C(C)(C)O1 222095491 NHGTZCOELVOPGK-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA O=C1OCc2cc(OC[C@@H]3CO3)ccc21 1875378633 INFPIYPECXVEGM-SECBINFHSA-N 206.197 1.135 30 50 BDEA N#C[C@@H](NC(=O)[C@H]1CCC(=O)C1)c1ccccc1 1181859994 LZTNLUQMKVOYQF-WCQYABFASA-N 242.278 1.737 30 50 BDEA CC[C@@H](/N=C(\O)OC(C)(C)C)C(=O)O 84317435 PNFVIPIQXAIUAY-ZCFIWIBFSA-N 203.238 1.579 30 50 BDEA in-vitro COC(=O)C1(Cn2c(C#N)nc(C)c2C)CC1 585122846 BOUZTSZSOVQUCL-UHFFFAOYSA-N 233.271 1.325 30 50 BDEA CN(C)/C=C/C(=O)c1ccccc1[N+](=O)[O-] 1606071 JZQFFGQCBWYGLB-BQYQJAHWSA-N 220.228 1.853 30 50 BDEA CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C=O 1857786645 VOZKGADERGXAFT-NSHDSACASA-N 211.261 1.751 30 50 BDEA N#CCCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 334151864 LMJFMLBDJQFPGV-STQMWFEESA-N 234.274 1.847 30 50 BDEA C[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@H]1[N+](=O)[O-] 297250 KTHZKWBAAXZSHF-LHLIQPBNSA-N 225.244 1.899 30 50 BDEA CN(C)C(=S)N/N=C1/CCOC(C)(C)C1 670419812 DROURDRPTIBJPO-FLIBITNWSA-N 229.349 1.368 30 50 BDEA N#Cc1cc(NC[C@H]2C[C@@H](O)C2)ccc1F 335523147 KHICCYBKHOHHAO-DKTWLAJQSA-N 220.247 1.880 30 50 BDEA N#Cc1ccccc1CN1C[C@@H](F)C[C@H]1CO 336476452 FPHVGVXLSPYJMD-STQMWFEESA-N 234.274 1.463 30 50 BDEA CC(NCc1ccccc1)=C1C(=O)CCC1=O 1923433460 ICRXCCGUGDGUNQ-UHFFFAOYSA-N 229.279 1.982 30 50 BDEA N#Cc1cncc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1 333885027 VOXRZJBZHOTZGD-YRRQLQLVSA-N 240.310 1.831 30 50 BDEA Cc1ccc(C#N)c(N2CCCC[C@@H](CO)C2)n1 378330547 HMTVNAQMELJNIF-GFCCVEGCSA-N 245.326 1.861 30 50 BDEA CNCC#CCOc1ccc(OC)cc1 2838784 NNWBWIMIBJGTIK-UHFFFAOYSA-N 205.257 1.297 30 50 BDEA C=C/C(O)=N/C[C@@H]1CCC2(CCOCC2)[C@H]1O 328598724 NZOGMQSARKPKJK-JQWIXIFHSA-N 239.315 1.697 30 50 BDEA C#CC[C@@H](C)N1C(=O)CN(C(C)C)C1=O 225458531 DFFWXXARJDWZKT-SECBINFHSA-N 208.261 1.071 30 50 BDEA O=[N+]([O-])c1ccc(/C=N/n2cn[nH]c2=S)cc1 13111302 VIICNTOGPGVCNL-VZUCSPMQSA-N 249.255 1.731 30 50 BDEA CN(C)c1ccc(C=Nn2cnnc2)cc1 14137694 YDHQRSFAZYRBTA-UHFFFAOYSA-N 215.260 1.226 30 50 BDEA Cc1cc(C#N)cc(N2CCC[C@](F)(CO)C2)n1 376186570 GSPNKIPPSNKOIM-CYBMUJFWSA-N 249.289 1.563 30 50 BDEA CC(=O)NC(=S)Nc1cccc(C#N)c1 615327 KYIMOORNIBOTSP-UHFFFAOYSA-N 219.269 1.391 30 50 BDEA C=CCNC(=O)NC(=S)c1ccccc1 2862241 BLPWOQWNBWWCKZ-UHFFFAOYSA-N 220.297 1.847 30 50 BDEA C=CCC(O)(CC=C)CNC1CCN(C)CC1 65418554 ASUKBBPNSXKYAS-UHFFFAOYSA-N 238.375 1.554 30 50 BDEA CC(C)N1C[C@H](Nc2ccc(C#N)cn2)CC1=O 32500697 IMLBDZPQXXLYMA-LLVKDONJSA-N 244.298 1.374 30 50 BDEA C#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2n1 95627912 RSQGZEAXODVTOL-UHFFFAOYSA-N 230.271 1.462 30 50 BDEA investigational C=CCNC(=O)CN[C@H](C)c1ncc(C)s1 184983495 OSZHMIZFRXYAEE-SECBINFHSA-N 239.344 1.404 30 50 BDEA O=C(NCc1ccc2sccc2c1)[C@@H]1CO1 1875373028 RZOILCDOWYHDMM-JTQLQIEISA-N 233.292 1.916 30 50 BDEA C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1 16512970 ILVARVRUCBNNJR-MHWRWJLKSA-N 242.282 1.914 30 50 BDEA C#CCC[C@H](O)CN[C@H]1CCC[C@@H](C)C1 309112766 KGNJDLUITLAMPE-AGIUHOORSA-N 209.333 1.929 30 50 BDEA N#Cc1ccc(-c2nc([C@@H]3CCCO3)no2)cn1 357105892 OKCZVUCQQCKFMT-JTQLQIEISA-N 242.238 1.855 30 50 BDEA Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CO3)c2c1 1875372967 QQAFLKZRQYDBIQ-CYBMUJFWSA-N 244.294 1.534 30 50 BDEA NC(=S)N/N=C/c1cc2ccccc2[nH]1 437665 DMZWHYDVGXCMFS-WUXMJOGZSA-N 218.285 1.335 30 50 BDEA C#C[C@]1(C)CN1n1c(C)nc2ccccc2c1=O 5122017 GBPPCUJFVCFJAK-IURRXHLWSA-N 239.278 1.048 30 50 BDEA C=CCNS(=O)(=O)Cc1cccc(C)c1 16579001 OATDQNLRMWRQTR-UHFFFAOYSA-N 225.313 1.600 30 50 BDEA CC1(C)COB(c2ccc(C=O)cc2)O1 169917372 QPAGKUHDGMROLS-UHFFFAOYSA-N 204.034 1.020 30 50 BDEA N#CCCN1C(=O)COc2ccccc21 4473182 CJQMJEYOWARPGD-UHFFFAOYSA-N 202.213 1.326 30 50 BDEA C/C(=N/O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 5287784 HNEBHCLTULWJDW-ZUNXXLSSSA-N 248.238 1.464 30 50 BDEA COc1cccc2c(=O)ccn(CC#N)c12 32647055 YACJEFBGSOUWLB-UHFFFAOYSA-N 214.224 1.534 30 50 BDEA O=C1C[C@@H](c2ccccc2)CC(=NO)C1=NO 245240461 UFWIQFLJKIESDI-VIFPVBQESA-N 232.239 1.794 30 50 BDEA CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C 581767782 OIYIRUJPMOAKFX-KBVBSXBZSA-N 206.289 1.841 30 50 BDEA O=C(N[C@@H]1CC[C@@H]1c1ccccc1)[C@H]1CO1 1875373355 YWTXSJOBYZNGHE-IJLUTSLNSA-N 217.268 1.448 30 50 BDEA C#CCn1ccnc1CNc1nc(C(C)C)no1 952878610 CBPRNAIPQQTGHF-UHFFFAOYSA-N 245.286 1.635 30 50 BDEA C=CC[C@H](C)NC(=O)Nc1ccnn1C 170599688 DAAMXZXENMATKI-QMMMGPOBSA-N 208.265 1.506 30 50 BDEA O=C(C#Cc1ccccc1)NC[C@@H]1CCSC1 279455116 FUBCCPGDGJHNJK-ZDUSSCGKSA-N 245.347 1.907 30 50 BDEA C=C[C@@](C)(OC)n1nnc2ccccc21 1534067565 WNZPJEUWAPBXAE-LLVKDONJSA-N 203.245 1.936 30 50 BDEA COc1nccc(C)c1B1OC(C)(C)C(C)(C)O1 204966947 GDEBIDFITKKLMA-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA in-vitro C=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4599052 XFORESAFCLVQCE-UHFFFAOYSA-N 242.256 1.059 30 50 BDEA C[C@H](Nc1ccc(C#N)nc1)c1ccn(C)n1 413455705 JTMMGQIPYZAJSH-VIFPVBQESA-N 227.271 1.860 30 50 BDEA CCC#CCN1CCC(c2n[nH]c(C)n2)CC1 670451569 BHPVTNPNOSIEAY-UHFFFAOYSA-N 232.331 1.706 30 50 BDEA CCN1CC(=O)C(c2ccccc2)=C1N 4867799 GBDSPBVXBLGAAY-UHFFFAOYSA-N 202.257 1.219 30 50 BDEA CN(C[C@H]1CCCN1C)c1cc(C#N)ccn1 92631223 WDUGFUFTFWFKRD-GFCCVEGCSA-N 230.315 1.484 30 50 BDEA C=C(C)CN[C@@H](CC(N)=O)C1CCCCC1 182019858 WVTQCEWUOODHNY-LBPRGKRZSA-N 224.348 1.976 30 50 BDEA C=CCn1cc(CN(C)CC2(C)COC2)cn1 820505289 NONIVESJLCTUEJ-UHFFFAOYSA-N 235.331 1.537 30 50 BDEA CCNCC#CCOc1cccc(OC)c1 16622839 GNDSYHQIURNYFB-UHFFFAOYSA-N 219.284 1.687 30 50 BDEA Cc1cc(C#N)c(N2CCSCC2)nn1 1875303828 PDYAPOKLLQCPRZ-UHFFFAOYSA-N 220.301 1.210 30 50 BDEA C=Cn1cc[n+](CC(=O)c2cccs2)c1 1836383 OWZHCPLOEVVHET-UHFFFAOYSA-N 219.289 1.821 30 50 BDEA C=CCNC(=O)Cc1ccccc1[N+](=O)[O-] 2824146 ORANLYQKHRWZGW-UHFFFAOYSA-N 220.228 1.440 30 50 BDEA Cc1c(CNCC2(O)CCC2)cc(C#N)n1C 134518595 HBZZFQRMORSSFO-UHFFFAOYSA-N 233.315 1.210 30 50 BDEA CC#CCN(C)C(=O)N[C@@H]1CC[C@@H](F)C1 335575279 UMFISEVKZBKQTB-NXEZZACHSA-N 212.268 1.542 30 50 BDEA C=CCNC(=O)[C@H](C)Oc1ccc(F)cc1 45479837 RERYUIBEDRDPGJ-VIFPVBQESA-N 223.247 1.895 30 50 BDEA COc1cc(OC[C@@H]2CO2)ccc1C#N 1875378548 GAFPFLRFNWOSTH-SNVBAGLBSA-N 205.213 1.344 30 50 BDEA CC1(C)OB(c2ccc(CN)cc2)OC1(C)C 169745748 FPUVAGQUKWMDKN-UHFFFAOYSA-N 233.120 1.445 30 50 BDEA in-vitro N#Cc1cc(N)c(N)c(Br)c1 83749455 LIULHHPOZZYTJR-UHFFFAOYSA-N 212.050 1.485 30 50 BDEA in-vitro N#CCCN(CCC#N)Cc1cc[nH]c1 170599886 QPUONQAKWYYYFU-UHFFFAOYSA-N 202.261 1.644 30 50 BDEA N#Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 4905453 RWMGFZRJYLSGJW-UHFFFAOYSA-N 233.227 1.303 30 50 BDEA in-vitro CC1(C)OB(c2sccc2C#N)OC1(C)C 169996769 XRUWLMWBUSUJPV-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA CCN(CC)CCCC#CCN1CCOCC1 1689783 SIBRDWDDSXUATG-UHFFFAOYSA-N 238.375 1.444 30 50 BDEA C#CCN(C)[C@@H](C(=O)O)c1ccc(F)c(C)c1 55358970 TVZHHMGIGBJRME-GFCCVEGCSA-N 235.258 1.825 30 50 BDEA C=CCc1c(O)ccc2nc3n(c(=O)c12)CCC3 20426704 FRWMGNRIRPPTCO-UHFFFAOYSA-N 242.278 1.777 30 50 BDEA biogenic C[C@H]1CN([C@H](C#N)c2ccccc2)CCO1 238937202 UEJKQBLZUFCIBA-WCQYABFASA-N 216.284 1.972 30 50 BDEA O=C[C@H]1Cc2cc(Cl)ccc2C(=O)O1 642883831 PHJJKBRBBRNIPR-MRVPVSSYSA-N 210.616 1.620 30 50 BDEA O=C(NCCc1cccc2ccccc12)[C@@H]1CO1 1875373176 VPZCCXIRDVRVRI-AWEZNQCLSA-N 241.290 1.897 30 50 BDEA O=C([C@H]1CO1)N1CCC=C(c2ccccc2)C1 1875372545 HYSPMENUOWBUAM-CYBMUJFWSA-N 229.279 1.701 30 50 BDEA N/C(=N\O)c1ccc(Cl)c([N+](=O)[O-])c1 12649255 IXTZBWZQCKMKJC-UHFFFAOYSA-N 215.596 1.343 30 50 BDEA in-vitro CN(C)Cc1ccc(NC(=O)/C=N/O)cc1 16667741 OSNBBQCLTHSXDJ-KPKJPENVSA-N 221.260 1.147 30 50 BDEA CCc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169968373 KAKCLWUKLSECEM-UHFFFAOYSA-N 233.120 1.943 30 50 BDEA CCOc1ccccc1NC(=O)CC#N 3223612 XMENNTQSJXXKKU-UHFFFAOYSA-N 204.229 1.937 30 50 BDEA in-vitro Cn1cc(C#N)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)n1 333904495 ULDVSDWJVJJXTR-WCABBAIRSA-N 244.298 1.666 30 50 BDEA C=C1CC(C)(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)C1 923193152 BZPIXDKAYOLSDX-ZRUFSTJUSA-N 249.310 1.568 30 50 BDEA N#CCNC(=O)Cc1cccc(Cl)c1F 335430292 BJFUGRHFXISDNT-UHFFFAOYSA-N 226.638 1.661 30 50 BDEA CCOC(=O)C1=C2[C@@H](C)CC[C@H]2CC1=O 71786041 LNKLGYIKHSJREC-YUMQZZPRSA-N 208.257 1.865 30 50 BDEA C=CCNC(=O)CCN(C)[C@H](C)c1ccncn1 244795936 RQCACQUCAJNGPU-LLVKDONJSA-N 248.330 1.162 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C 169935524 LBQVSLAREHNEHT-UHFFFAOYSA-N 233.120 1.998 30 50 BDEA in-vitro C[C@@H]1CCN1Cc1cc(C#CCO)cs1 706826716 ZISICVGOAZJUKA-SNVBAGLBSA-N 221.325 1.686 30 50 BDEA CCN(C)[C@H]1CCN(c2nc(C#N)ncc2C)C1 1875290112 WFMDDPAZTBTODQ-NSHDSACASA-N 245.330 1.187 30 50 BDEA CO[C@@H]1CN(C(=O)[C@@H](C)C#N)CC[C@@H]1C 221267223 FDYXKTTZTAUIGU-LPEHRKFASA-N 210.277 1.029 30 50 BDEA O/N=C/c1c(Cl)cnc2c1OCCO2 66054449 DBEQZOHXEMMHOA-QDEBKDIKSA-N 214.608 1.314 30 50 BDEA CO/N=[N+](/O)C/C(COc1ccccc1)=N/O 225290991 SGQVJHUMBGLAAC-LUAWRHEFSA-O 240.239 1.311 30 50 BDEA CC(C)(C)C(=O)/C=C(\N)c1cccnc1 82205 FSQCLXOWLNRENC-YFHOEESVSA-N 204.273 1.996 30 50 BDEA CC1(C)OB(c2cccnc2)OC1(C)C 169743299 XEMDFESAXKSEGI-UHFFFAOYSA-N 205.066 1.381 30 50 BDEA in-vitro CSc1nc(N)nc(SCC#N)c1C#N 2028100 FLTKXNAPVZZEMX-UHFFFAOYSA-N 237.313 1.268 30 50 BDEA CC(C)(C)OC(=O)N[C@H]1C2C[C@H]3[C@@H](C2)C13C=O 1857781546 FDBATDYMCZOQTQ-AGZNDRPASA-N 237.299 1.735 30 50 BDEA C[C@H](CC#N)N1CCC[C@@H](Cn2ccnn2)C1 221673425 QFBGPRWATJXKON-VXGBXAGGSA-N 233.319 1.292 30 50 BDEA COc1ccc(OC)c(/C=N/n2cnnc2)c1 229057 LNEBYMWBMJHHOA-MKMNVTDBSA-N 232.243 1.178 30 50 BDEA C=CCn1cc(C)c(=O)n(CC(C)C)c1=O 77438 UNTNXYZJWWRIOD-UHFFFAOYSA-N 222.288 1.160 30 50 BDEA biogenic N#CCCC(=O)NCCc1ccccc1 3086267 BBWNLWURSOIFEG-UHFFFAOYSA-N 202.257 1.649 30 50 BDEA CC(C)(C)[C@H](C#N)NC(=O)c1cncnc1 273685923 ATWKKTVHGIAJLQ-VIFPVBQESA-N 218.260 1.145 30 50 BDEA C=C[C@@]12CCC(=O)N1[C@H](C(C)(C)C)OC2=O 221437322 BTUAJNQTKSSATQ-CABZTGNLSA-N 223.272 1.463 30 50 BDEA C#CC(C)(C)N1CC[C@H](O)[C@@H]2CCC[C@H]21 820344451 ABOWUBBXNPKAPQ-UTUOFQBUSA-N 207.317 1.634 30 50 BDEA O=C(NCCc1ccc2ccccc2n1)[C@@H]1CO1 1875373117 UGBSFKOBUVXBJI-ZDUSSCGKSA-N 242.278 1.292 30 50 BDEA C#CCN(C)C(=O)c1ccc(-c2ncon2)cc1 191030061 MLTKAHXBTPBRGS-UHFFFAOYSA-N 241.250 1.442 30 50 BDEA OCC/N=C\c1c(O)ccc2ccccc12 12360328 PRTPQYWIXUPHAT-ZROIWOOFSA-N 215.252 1.957 30 50 BDEA C=CCN1CCN(C(=O)c2ccco2)CC1 12343757 ZOLXYFYQQDIBQM-UHFFFAOYSA-N 220.272 1.223 30 50 BDEA O/N=C(/c1ccccc1)c1noc(O)n1 13131082 LRQOVIQEWUSODA-XFFZJAGNSA-N 205.173 1.002 30 50 BDEA N#Cc1ccc(NCCN2CCOCC2)cc1 19867666 FTWMAEDAZJPYBM-UHFFFAOYSA-N 231.299 1.302 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@](C#N)(CO)C1 307281898 HYHLNEMZYSJADY-NSHDSACASA-N 226.276 1.129 30 50 BDEA CCCCCCCC(=O)N[C@@H]1CCOC1=O 62235613 JKEJEOJPJVRHMQ-SNVBAGLBSA-N 227.304 1.779 30 50 BDEA biogenic,in-vitro CC1(C)N=C2C(=N1)/C(=N/O)CC/C2=N/O 8575535 BLZMYOJYZQZMRV-UWRPRBHNSA-N 208.221 1.072 30 50 BDEA CC[C@H](CC#N)NC(=O)c1cccc(O)c1O 126132525 XHTIMCQQTUJCLA-MRVPVSSYSA-N 234.255 1.520 30 50 BDEA C[C@@H]1CN(c2ccnc(C#N)c2)CC[S@@](=O)C1 287822568 QIXPFKCXGAROKL-BMLIUANNSA-N 249.339 1.158 30 50 BDEA CCOC(C#CCO[C@@H]1CCCCO1)OCC 34112467 JUQGLOFZQZNAJR-CYBMUJFWSA-N 242.315 1.932 30 50 BDEA C[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 199207058 AKMVYVLKQCECJH-GBVMLCMLSA-N 223.125 1.601 30 50 BDEA Cc1ccc(CN2C[C@H](/C(N)=N/O)CC2=O)cc1 221630864 GFQZGAQGLKXOPG-LLVKDONJSA-N 247.298 1.090 30 50 BDEA COc1ccc([C@@H](C#N)C(C#N)C#N)cc1 196488123 YMPLGHMCLVOWGP-GFCCVEGCSA-N 211.224 1.966 30 50 BDEA CC#CC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 885478892 MJKAKEREHDXZTK-AAEUAGOBSA-N 221.300 1.331 30 50 BDEA Cc1nnc(C)n1/N=C\c1cccnc1 5203754 MEAJVZLUSVWJEC-GHXNOFRVSA-N 201.233 1.172 30 50 BDEA CC12CN3CC(C)(CN(C1)C31CCCC1)C2=NO 19331073 UAASFKVZBYXDKN-UHFFFAOYSA-N 249.358 1.744 30 50 BDEA CCOC(=O)C1CCN(C(C)(C)C=O)CC1 168201 ZJBDXMMSHFKMOY-UHFFFAOYSA-N 227.304 1.239 30 50 BDEA COc1ccc(C[C@]2(C)O[C@H]2C#N)cc1 307132449 HTUGQEJTTBSRQH-RYUDHWBXSA-N 203.241 1.919 30 50 BDEA C=CCCONC(=O)c1nccn2cc(C)nc12 856034871 NEAOQMMEJUNRMX-UHFFFAOYSA-N 246.270 1.275 30 50 BDEA CCOC(=O)/C(O)=C/C(=O)C(C)(C)C 136039419 KAIQXLGAGMBFGI-SREVYHEPSA-N 200.234 1.607 30 50 BDEA O=C1Nc2ccc(Br)cc2/C1=N/O 4797464 APYQTLASEQODSC-UHFFFAOYSA-N 241.044 1.580 30 50 BDEA CCOC(=O)[C@@H]1CCCN(CCC#N)C1 52710536 CYEHJKMCJBHEMZ-SNVBAGLBSA-N 210.277 1.175 30 50 BDEA Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 9224016 PZRHRDRVRGEVNW-UHFFFAOYSA-N 211.224 1.617 30 50 BDEA biogenic,fda CCOC(=O)[C@H](C#N)c1cccc(OC)c1 44197795 DUUYWFVQWCQZPN-LLVKDONJSA-N 219.240 1.865 30 50 BDEA C=CCC(CC=C)C(=O)N1CC(O)(CC)C1 253410537 GPBVIAJWSWEEDQ-UHFFFAOYSA-N 223.316 1.738 30 50 BDEA N/C(S)=N/c1nc2ccccc2nc1O 8680440 NNOFIACZQVZCCT-UHFFFAOYSA-N 220.257 1.211 30 50 BDEA aggregator C=CC(=O)N[C@@H](COC)c1cccc(C#N)c1 1875367422 XIRCOFUCPMQHEO-LBPRGKRZSA-N 230.267 1.548 30 50 BDEA O=C(NC1(c2cccc(F)c2)CC1)[C@H]1CO1 1875373074 SXRMOILQIGBRHR-SNVBAGLBSA-N 221.231 1.330 30 50 BDEA C[C@H]1CN(c2ccnc(C#N)n2)C[C@H](C2CC2)O1 408522615 KPRTWHOMFBLPJZ-GXSJLCMTSA-N 244.298 1.352 30 50 BDEA CC1=CC(=O)C(Br)=CC1=O 87584 GELQQGMYSDRBHC-UHFFFAOYSA-N 201.019 1.363 30 50 BDEA CC1(C)CC(=O)C=C(N2CCOCC2)C1 133086 AZJFAQDAOWAUAN-UHFFFAOYSA-N 209.289 1.592 30 50 BDEA Cc1cc(CO)cc(B2OC(C)(C)C(C)(C)O2)c1 224682026 DHMSQZHEQIAFGF-UHFFFAOYSA-N 248.131 1.787 30 50 BDEA N#CCOc1cc(Cl)cn2c(C#N)cnc12 380640766 JTORKBUEJKFFTM-UHFFFAOYSA-N 232.630 1.762 30 50 BDEA CC1(C)OB(c2cccc(C(=O)O)c2)OC1(C)C 169743297 OPWAPCOSDAFWFB-UHFFFAOYSA-N 248.087 1.684 30 50 BDEA in-vitro N#C[C@@H]1CN(Cc2ccccc2)CCO1 34617025 NAWYNSSXFPEQKE-GFCCVEGCSA-N 202.257 1.411 30 50 BDEA in-vitro CC1CCC2(CC1)[C@@H](C#N)C(=O)NC(=O)[C@@H]2C#N 2485743 SXEQKBZCLSQTLA-UWVGGRQHSA-N 245.282 1.119 30 50 BDEA CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@@H]2[C@H]1C#N 1857778576 XFHYFTWLIMRDJR-XLPZGREQSA-N 222.244 1.292 30 50 BDEA CC1(C)OB(c2ccc(C=O)cc2N)OC1(C)C 170003930 XPTCSOQHAYLCFJ-UHFFFAOYSA-N 247.103 1.381 30 50 BDEA CC#CC(=O)NCc1n[nH]c2ccc(Cl)cc12 1875376688 FUVZVKSUGYMIGK-UHFFFAOYSA-N 247.685 1.856 30 50 BDEA C#CCN(C)C(=O)N(C)c1ccc(F)cc1 170619216 NFXNMAMUQJIFRF-UHFFFAOYSA-N 220.247 1.947 30 50 BDEA CC#CCN[C@H](C)c1nnc2n1CCCC2 120120988 ZGHJBSBEJHAUTA-SNVBAGLBSA-N 218.304 1.288 30 50 BDEA N#C[C@@H](C(N)=O)c1ccc2ccccc2c1 207002 ZSSLODPDGXEUAJ-GFCCVEGCSA-N 210.236 1.932 30 50 BDEA C=C/C(O)=N/C[C@@H]1CCC2(CCOCC2)[C@@H]1O 328598723 NZOGMQSARKPKJK-CMPLNLGQSA-N 239.315 1.697 30 50 BDEA N#CCc1nc(-c2ccccc2F)no1 45893599 RXQYWKFBBHSYJO-UHFFFAOYSA-N 203.176 1.942 30 50 BDEA CC(C)(C)OC(=O)N1CCC(/C(N)=N/O)CC1 95483680 KMBRLTGPGNMNIY-UHFFFAOYSA-N 243.307 1.380 30 50 BDEA Cc1nsc(N2C[C@H](F)[C@H](F)C2)c1C#N 294874519 BKYLEEXSTAVPNN-OCAPTIKFSA-N 229.255 1.819 30 50 BDEA Cc1ncncc1C(=O)NC1(C#N)CCCCC1 298759603 XRJNYAWKJMBQFE-UHFFFAOYSA-N 244.298 1.741 30 50 BDEA C[C@@]1(c2ccc(S(C)(=O)=O)cc2)O[C@@H]1C#N 380511357 NVBWBALKUHOLLU-MNOVXSKESA-N 237.280 1.228 30 50 BDEA Cc1cc(C)n(CC2CC2)c(=O)c1C#N 695725280 UEKALIVSGKUHOI-UHFFFAOYSA-N 202.257 1.747 30 50 BDEA CC1(C)OB(c2ccnc3[nH]ccc23)OC1(C)C 169794630 OYFHAWAVFVJOBN-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCOC[C@]1(C)C=O 307341874 ZNRGBHIYBIVSGT-NSHDSACASA-N 229.276 1.211 30 50 BDEA COc1ccc([C@@H](C#N)c2ccc(O)nn2)cc1 4023598 BEOMFNYHNRNOTK-LLVKDONJSA-N 241.250 1.846 30 50 BDEA C#C[C@H](NC(=O)c1ccncc1F)[C@@H]1CCCO1 585139961 ROESVNJFAIGECK-RYUDHWBXSA-N 248.257 1.131 30 50 BDEA CC(NCCCO)=C1C(=O)CC(C)(C)CC1=O 100239237 ORMMLOXHMMAWTE-UHFFFAOYSA-N 239.315 1.191 30 50 BDEA in-vitro COc1ccccc1-n1cc(OC[C@H]2CO2)cn1 1875379640 SNDACTAYRHHWNU-NSHDSACASA-N 246.266 1.659 30 50 BDEA Cc1nn(C)c(C)c1C(=O)/C=C\N(C)C 12357358 FUYVQGHVVGKFQV-SREVYHEPSA-N 207.277 1.295 30 50 BDEA C=CCC[C@@](C)(O)C#CCN1CCOCC1 19595334 YHKUHKFJAXVZPT-CYBMUJFWSA-N 223.316 1.039 30 50 BDEA CC(=O)C1=C(O)C(=O)N(C)[C@H]1c1ccc(F)cc1 183882 DHDQZULBRGSUDP-NSHDSACASA-N 249.241 1.740 30 50 BDEA COC(=O)[C@H](C)Oc1ccc(C#N)cc1 2759362 VWCTYMCBZOOONL-QMMMGPOBSA-N 205.213 1.499 30 50 BDEA CCCCCCCCNC(=O)/C(=N/O)C(C)=O 100167902 CYXPYVUTNIWBCI-SDNWHVSQSA-N 242.319 1.882 30 50 BDEA N#Cc1ccc(N2CCC(CCN)CC2)cn1 129893624 FAWAUCGZRPBNPI-UHFFFAOYSA-N 230.315 1.518 30 50 BDEA COc1ccc(-c2noc(CC#N)n2)cc1 6816944 WDNMZLITZQWWRJ-UHFFFAOYSA-N 215.212 1.811 30 50 BDEA C/C(=N\N=C(N)N)c1cccc(C(F)(F)F)c1 35240800 SJMKPCZZGNVWTN-OMCISZLKSA-N 244.220 1.703 30 50 BDEA C=C1CC[C@]2(C)C(OC)=C(OC)C(=O)[C@]12O 71786744 RKGNNRGGWVWYPT-VXGBXAGGSA-N 224.256 1.161 30 50 BDEA N#CCNC(=O)c1cc(Cl)cc(F)c1N 334903608 SXRFXWNTSHAUIV-UHFFFAOYSA-N 227.626 1.315 30 50 BDEA CC#CC(=O)N[C@@H](C)CCc1ccncc1 1875370548 SWSNSFJIUUNSQK-NSHDSACASA-N 216.284 1.542 30 50 BDEA CC#CC(=O)N(C)C[C@H]1CCc2nc(C)cn2C1 1875363286 VHKJRZXMLDLNMZ-GFCCVEGCSA-N 245.326 1.236 30 50 BDEA C#C[C@H](C)OS(=O)(=O)c1ccc(C)cc1 43794366 XWRDBUBKBUYLQI-JTQLQIEISA-N 224.281 1.722 30 50 BDEA in-vitro C#CC1(O)CCN(C(=O)OC(C)(C)C)CC1 95743061 SHEYWYIIXFHSNB-UHFFFAOYSA-N 225.288 1.382 30 50 BDEA in-vitro C[C@@]1(c2ccccc2)COCCN1C(=O)CC#N 585087478 SYFHJNNVHHYNLE-AWEZNQCLSA-N 244.294 1.674 30 50 BDEA C/C(=N\O)c1ccccc1OCC(=O)O 5184273 MTJWOHHVFBGVAG-YRNVUSSQSA-N 209.201 1.348 30 50 BDEA N#Cc1ccc(Cn2cnc(CCCO)c2)cc1 1616030481 BBKQMAFJCMTADM-UHFFFAOYSA-N 241.294 1.728 30 50 BDEA C(#Cc1ccccc1)CNC[C@@H]1CCCO1 12955357 MYBDHXSMSSJURH-AWEZNQCLSA-N 215.296 1.807 30 50 BDEA CC#CCCCC(=O)NCc1cc(C)nc(O)c1 820518063 OCHKCLPKXXYKNC-UHFFFAOYSA-N 246.310 1.905 30 50 BDEA C=CCN[C@H](C)c1cnc2ccnn2c1C 225475782 JJYOAFZMRGJXFH-SECBINFHSA-N 216.288 1.874 30 50 BDEA N#CCCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 334151863 LMJFMLBDJQFPGV-QWHCGFSZSA-N 234.274 1.847 30 50 BDEA C/C(NCc1ccccc1)=C1\C(=O)O[C@@H](C)C1=O 100319893 CHAJUISTISVZPL-LZAIMSLLSA-N 245.278 1.565 30 50 BDEA CN(C)c1ccnc(C(=O)N[C@@H](C#N)C2CC2)c1 131477430 NSZAHWGEMAUPSA-LBPRGKRZSA-N 244.298 1.180 30 50 BDEA C=CCn1c(C)nnc1S[C@@H](CC)CO 864234975 BGAAAXXKCKXEJJ-VIFPVBQESA-N 227.333 1.636 30 50 BDEA C[C@H]1C[C@H](C)N1C(=O)CC1(C#N)CCOCC1 597592489 VRZHQSCMJMEXKQ-QWRGUYRKSA-N 236.315 1.706 30 50 BDEA Cc1cc(C)nc(/N=C2\NCCS2)n1 477715 QUBLKMUHLYZLCY-UHFFFAOYSA-N 208.290 1.417 30 50 BDEA CC(C)(C)OC(=O)N1CC2(CC[C@H]2C=O)C1 238176773 LKQWMJOUDZLUOM-VIFPVBQESA-N 225.288 1.832 30 50 BDEA C=CCSc1nc(O)cc(=O)n1CC 16513867 GVUFWYWJIICTRE-UHFFFAOYSA-N 212.274 1.247 30 50 BDEA CNCC#CCOc1cccc(C)c1C 16623583 CMDVYYNBLQRDBR-UHFFFAOYSA-N 203.285 1.905 30 50 BDEA Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1 4948570 RPVSMPDRWQVGJR-UHFFFAOYSA-N 229.199 1.718 30 50 BDEA C=CCOc1ccc(C(=O)NCCN(C)C)cc1 4841836 MUQBUXFPMDNWOY-UHFFFAOYSA-N 248.326 1.543 30 50 BDEA C=CCc1ccccc1OC[C@H](O)CN 235987 UMICLKXVMGFSMI-LLVKDONJSA-N 207.273 1.114 30 50 BDEA N#Cc1ccc(OC(=O)N2CCOCC2)cc1 616384 QLDINGOHTJTIID-UHFFFAOYSA-N 232.239 1.389 30 50 BDEA C[C@H]1CC(C)(C)OB(c2ccccc2)O1 169807816 QTHVGJPLXHEIAZ-JTQLQIEISA-N 204.078 1.986 30 50 BDEA in-vitro CC(C)(O)c1cn(-c2cccc(C#N)c2)nn1 849144811 KQGCTDZEHUBDRC-UHFFFAOYSA-N 228.255 1.366 30 50 BDEA N#Cc1ccc(Cn2ccnn2)cc1F 335854414 IVVMYXBXTMVHQQ-UHFFFAOYSA-N 202.192 1.337 30 50 BDEA Cc1cc(=O)[nH]c(N/N=C/c2ccc(O)cc2)n1 7891455 PRYXVASMZNISMM-NTUHNPAUSA-N 244.254 1.230 30 50 BDEA N#Cc1ccc(CN[C@@H]2CCOC2)cc1F 334740319 VTJNUZPPABRGLK-LLVKDONJSA-N 220.247 1.576 30 50 BDEA O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CO1 1875372879 ONKUMCYIYSHXDC-JHJVBQTASA-N 247.294 1.422 30 50 BDEA CC#CC(=O)NC[C@H]1C(C)=C1[Si](C)(C)C 1875309122 RYBZSLDNHRZSKJ-JTQLQIEISA-N 221.376 1.950 30 50 BDEA N#Cc1cc(Cl)ccc1Cn1ncccc1=O 195419294 COGDQMDLDDFJTO-UHFFFAOYSA-N 245.669 1.817 30 50 BDEA Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](C)S2)cc1 18202202 REPACSONFWLYSC-MRACZJACSA-N 247.323 1.936 30 50 BDEA Cc1nsc(N[C@@H]2C[C@H](O)C2(C)C)c1C#N 309662093 YGOJGVLZRWBBPE-BDAKNGLRSA-N 237.328 1.895 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccc(Cl)cc1 2477704 IUNQDXVXVCELTL-UHFFFAOYSA-N 238.674 1.581 30 50 BDEA C=CCn1nnnc1NCc1sccc1C 7601855 OWSQMKWJSXVPMN-UHFFFAOYSA-N 235.316 1.841 30 50 BDEA COc1ccc(/C(C)=N/n2cnnc2)cc1 100339852 QVZJZUHURNIDMX-NTEUORMPSA-N 216.244 1.559 30 50 BDEA C[C@H]1[C@H]2C[C@@H](C/C2=N\NC(N)=S)C1(C)C 111071386 FFVDDDDYYODYEL-IZPXIVAUSA-N 225.361 1.878 30 50 BDEA COc1nc(N2CCCC2)ccc1/C=N/O 100002207 YOFHZOABMZTSGZ-XYOKQWHBSA-N 221.260 1.499 30 50 BDEA in-vitro C[C@]1(CO)CCC[C@@H]1Nc1ccc(C#N)nc1 195535361 QOZJNERDZMRYQU-QWHCGFSZSA-N 231.299 1.916 30 50 BDEA C=C(Cl)CN1CCN(C[C@@H](O)C2CC2)CC1 1615566385 KXBNEUOOOFPFJY-GFCCVEGCSA-N 244.766 1.127 30 50 BDEA C=C1CCN(c2nc(N)nc(C3CC3)n2)CC1 1120815694 WKJWLUKDZFUWPI-UHFFFAOYSA-N 231.303 1.488 30 50 BDEA CC(=O)/C(C)=C(\N)NC(=O)c1cccs1 1776111296 MJFQHBSCXSFAFG-RMKNXTFCSA-N 224.285 1.257 30 50 BDEA C#CC(C)(C)OC[C@@H](O)CN1CCC(C)CC1 16577569 MBNKXMODDJQSBV-ZDUSSCGKSA-N 239.359 1.508 30 50 BDEA CC[C@@H](CC(F)(F)F)/N=C(/O)c1cnn[nH]1 330869740 PXYXZRXNJNEPOM-YFKPBYRVSA-N 236.197 1.840 30 50 BDEA CC1(C)Oc2ccc(C#N)cc2NC1=O 39039480 KEFFHGHKFDZMSO-UHFFFAOYSA-N 202.213 1.668 30 50 BDEA in-vitro C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CO)C1 245436756 RDICQQJPNLRXAZ-DGCLKSJQSA-N 230.311 1.933 30 50 BDEA C=CC(=O)N1CCN(c2ccsc2C#N)CC1 1346091270 UPVSOTSWEZOFIE-UHFFFAOYSA-N 247.323 1.454 30 50 BDEA O=C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1443040 GDPSCBPOCONUDM-LBPRGKRZSA-N 233.267 1.844 30 50 BDEA in-vitro COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])C(C)=O 4954930 APKKCRAKPMSAEI-JXMROGBWSA-N 249.222 1.740 30 50 BDEA in-vitro C[C@H]1CN(c2ccnc(C#N)c2)CC[S@@](=O)C1 287822577 QIXPFKCXGAROKL-DYZYQPBXSA-N 249.339 1.158 30 50 BDEA CC#CC(=O)N1CCO[C@@](CC)(C(F)(F)F)C1 1875366291 OUTUPGJFWWVFIY-SNVBAGLBSA-N 249.232 1.580 30 50 BDEA C[C@@H]1O[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 1875322220 MNECMOZKORLRHC-ZWKOPEQDSA-N 231.295 1.968 30 50 BDEA C[C@@]1(CCCO)CCCN1c1cnc(C#N)cn1 274732981 MCSPHMSVQKIRHI-ZDUSSCGKSA-N 246.314 1.480 30 50 BDEA Cc1nn(CCN2CCCCC2)c(N)c1C#N 194404578 BCEHSVUPFHYXTR-UHFFFAOYSA-N 233.319 1.131 30 50 BDEA N#Cc1cccnc1N1CC[C@]2(CCCN2)C1 2325798103 NABMHBIWJZIFGW-CYBMUJFWSA-N 228.299 1.286 30 50 BDEA CC(=O)C(=CNc1nc(C)cc(C)n1)C(C)=O 3252625 UDWPCBPIFZAVFP-UHFFFAOYSA-N 233.271 1.567 30 50 BDEA C[C@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)cn1 133832446 LQRMGYGLFUUKAM-ZYHUDNBSSA-N 247.298 1.559 30 50 BDEA N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CO1 1875372637 KABPOFPBCHLDHW-QWHCGFSZSA-N 242.278 1.451 30 50 BDEA CCOC(=O)c1ccc(CCC=O)cc1 2381627 XDGGHWSPLSWRIX-UHFFFAOYSA-N 206.241 1.995 30 50 BDEA in-vitro C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2379432 BUPDPLXLAKNJMI-ZETCQYMHSA-N 215.249 1.540 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC2CC1(C=O)C2 1857784548 KSOFGLPYOLGSJP-UHFFFAOYSA-N 225.288 1.975 30 50 BDEA C=CCN1C(=O)[C@@H](C(=O)O)C(=O)c2ccccc21 361282 VNDRVBCBOASWAE-JTQLQIEISA-N 245.234 1.103 30 50 BDEA biogenic C=CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 1604341 SLRAUCUDDYGPJP-RKDXNWHRSA-N 211.261 1.180 30 50 BDEA O=C1C=C(Nc2nnc[nH]2)C[C@@H](c2ccco2)C1 6662253 YOTHDTQAQOFBCM-MRVPVSSYSA-N 244.254 1.840 30 50 BDEA CC1=C[C@H]2CC[C@H]1C1=C2C(=O)C=CC1=O 101047720 UIWICLFQGRBXIP-RKDXNWHRSA-N 200.237 1.977 30 50 BDEA C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O 2389696 FVBZCQLQINXRAC-NSHDSACASA-N 249.266 1.595 30 50 BDEA biogenic CC#CC(=O)NCC[C@H](CC)n1cccn1 1875379090 MZNBZCBDWDETNZ-NSHDSACASA-N 219.288 1.364 30 50 BDEA CCCCNC(=O)CN(C)Cc1c[nH]c(C#N)c1 952985968 UXSVUNRXELWCQO-UHFFFAOYSA-N 248.330 1.234 30 50 BDEA Cc1nc2ccc(OC[C@@H]3CO3)cc2o1 206479524 MZLFOLBPFCGKCR-SECBINFHSA-N 205.213 1.914 30 50 BDEA C#CCCCC(=O)N=c1cc[nH]cc1N(C)C 408514665 URTATJHUGFFYNW-UHFFFAOYSA-N 231.299 1.312 30 50 BDEA N#C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1 199703303 LDFKVLLZTZZDMJ-GFCCVEGCSA-N 245.282 1.121 30 50 BDEA C[C@]1(O)CCCN(c2ccc(C#N)nc2)C1 160848598 APTSMOAMAAAMRQ-LBPRGKRZSA-N 217.272 1.304 30 50 BDEA C#CCNC(=O)c1ccc(OC)c(OC)c1 13009858 FSWMYYKYMSJCER-UHFFFAOYSA-N 219.240 1.067 30 50 BDEA CC(C)(C)NC[C@@H](O)c1ccc(N)c(C#N)c1 33640545 YKKQAXQGZIBJFS-GFCCVEGCSA-N 233.315 1.562 30 50 BDEA in-vitro N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CO1 1875372635 KABPOFPBCHLDHW-CHWSQXEVSA-N 242.278 1.451 30 50 BDEA CC1(C)OB(c2csc(C#N)c2)OC1(C)C 206187499 TUJOBQFUKFUIDF-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA N#Cc1ccc(N[C@@H]2CCCC[C@H]2O)cn1 131900982 FFZLGSBCSOGCJZ-VXGBXAGGSA-N 217.272 1.669 30 50 BDEA CC#CC(=O)NCc1nnc2ccc(Cl)cn12 1633506397 ZXWULELTQQWJMB-UHFFFAOYSA-N 248.673 1.022 30 50 BDEA CC[C@]1(C)Cc2nc(N)c(C#N)cc2CO1 19873574 ZAFHSXSQQWYVAD-GFCCVEGCSA-N 217.272 1.777 30 50 BDEA biogenic N#Cc1cc(NC(=O)c2ccc(F)cc2)n[nH]1 2325815854 WYYSNRNFLFIKPI-UHFFFAOYSA-N 230.202 1.673 30 50 BDEA CCOC(=O)[C@H](C#N)c1ccccc1[N+](=O)[O-] 169131 JUGQARWTQZEZRI-SECBINFHSA-N 234.211 1.765 30 50 BDEA biogenic,in-vitro COc1cc(F)c(NC(=O)CC#N)cc1F 258765586 WKAZVKRCFOEHHX-UHFFFAOYSA-N 226.182 1.826 30 50 BDEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ncc[nH]1 820449202 JMVGMVMFIKCDJH-JTQLQIEISA-N 249.314 1.411 30 50 BDEA C[C@@H](c1ccccc1)[C@@H](C#N)SCC(N)=O 1875393909 QOESPTJHYYXWQQ-GXSJLCMTSA-N 234.324 1.901 30 50 BDEA O=C1CC[C@@H](Cc2cccc(OC[C@@H]3CO3)c2)O1 1875379495 RJAYKMUMXYMKBZ-QWHCGFSZSA-N 248.278 1.712 30 50 BDEA N#CCC(=O)NCc1ccc([N+](=O)[O-])cc1 37668533 JBQJIQROBKAQNT-UHFFFAOYSA-N 219.200 1.125 30 50 BDEA in-vitro C#C[C@H](C)NS(=O)(=O)c1ccc(C)cc1F 193522680 IKOMVQQGRJXFOD-VIFPVBQESA-N 241.287 1.434 30 50 BDEA C=CCn1nc(C(=O)OCC)c2c1CCN(C)C2 14753256 CTDNQHPOPBIZON-UHFFFAOYSA-N 249.314 1.234 30 50 BDEA CN(C)/C=C(/C(=O)c1ccccc1)n1cncn1 3128060 GBVHLGAGVQFALP-WQLSENKSSA-N 242.282 1.521 30 50 BDEA CN(CCN1CCCC1)c1cccc(C#N)n1 81619586 PXDCROJYRIFFRY-UHFFFAOYSA-N 230.315 1.485 30 50 BDEA O=[N+]([O-])c1ccc(Cl)c(/C=N/CCO)c1 950733957 YUSROHXEJXGGBK-IZZDOVSWSA-N 228.635 1.659 30 50 BDEA CC1(C)OB(c2ccc(C#N)cn2)OC1(C)C 169746175 USYWPRFJTBASTH-UHFFFAOYSA-N 230.076 1.252 30 50 BDEA in-vitro COC(=O)/C(=C/c1ccccc1)C(C)=O 5091262 DQODZEKNJPJKED-DHZHZOJOSA-N 204.225 1.832 30 50 BDEA COCc1nc(-c2cccc(C#N)c2)nn1C 2100478167 WRSMLLRZIOASEZ-UHFFFAOYSA-N 228.255 1.500 30 50 BDEA C=CCN[C@@H](C)[C@H]1COc2ccccc2O1 2968288 JTFITJUNSSBSEH-GXFFZTMASA-N 219.284 1.991 30 50 BDEA N#Cc1cc(Cl)cc(OC[C@@H]2CO2)c1 307516790 HPNBZSPXVLLBOZ-SNVBAGLBSA-N 209.632 1.989 30 50 BDEA CCOC(=O)[C@@]12C[C@@H]1C(=NO)c1ccccc1O2 306146346 FXCTZFMSAHZQTR-NOZJJQNGSA-N 247.250 1.579 30 50 BDEA in-vitro Cc1nn(CC(F)(F)F)c(N)c1C#N 2540681 KZXWVARLKJMWOS-UHFFFAOYSA-N 204.155 1.208 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 6563174 HDBCLYQJIRLJOB-LBPRGKRZSA-N 230.267 1.904 30 50 BDEA biogenic,in-vitro CC#CC(=O)NC(C)(C)c1c(C)noc1C 286578841 YEFJHGTYXMZIMR-UHFFFAOYSA-N 220.272 1.666 30 50 BDEA CC#CC(=O)N1CCC[C@]2(C=CCO2)CC1 1875370091 BHKSOITYCGRMBY-ZDUSSCGKSA-N 219.284 1.347 30 50 BDEA CCC(F)(F)CN=C1N[C@@H](C)[C@@H](C)N1 1776003715 FOCPUFRXWQHLNA-KNVOCYPGSA-N 205.252 1.358 30 50 BDEA CC(C)(C)OC(=O)N1[C@@H](CC=O)COC1(C)C 39042587 GAWRNYMYEGSVFV-VIFPVBQESA-N 243.303 1.947 30 50 BDEA in-vitro Cc1cc(C(=O)NC2(C#N)CCCC2)cnn1 276425301 WFZXXVFVUYVODC-UHFFFAOYSA-N 230.271 1.351 30 50 BDEA Nc1cc2c3c(cccc3c1)C(=O)N(O)C2=O 97016 SAWLDYRYYCCJQA-UHFFFAOYSA-N 228.207 1.407 30 50 BDEA CCOC(=O)c1c(C)nc2c(C#N)cnn2c1C 184275 NDTWSNKARDZRSI-UHFFFAOYSA-N 244.254 1.395 30 50 BDEA Cc1cc(C)n(Cc2ccco2)c(=O)c1C#N 938960 BHXRIHABCIUUSY-UHFFFAOYSA-N 228.251 1.978 30 50 BDEA C=C(C(=O)OC)[C@H]1Sc2ccccc2NC1=O 2172356 FOSQOJPBMWROON-SNVBAGLBSA-N 249.291 1.829 30 50 BDEA C=CCNC(=O)Nc1ccc2c(c1)nnn2C 2837868 SOJPNNDJJQDQCW-UHFFFAOYSA-N 231.259 1.276 30 50 BDEA C#CCSc1nnc(NC(=O)CC)s1 407947213 VZHGKGVIVIFISI-UHFFFAOYSA-N 227.314 1.612 30 50 BDEA C[C@@H](C#N)CNC(=O)N1CCC[C@H]1CF 334795953 WNBKXQDTOTXKGD-IUCAKERBSA-N 213.256 1.290 30 50 BDEA C[C@@H](CC=O)NC(=O)c1ccc(F)cc1 71786947 QAUMFZFILWETOS-QMMMGPOBSA-N 209.220 1.533 30 50 BDEA CC1=NN(c2ccc(C)cc2)C(=O)/C1=N/O 255997184 QMHWFKVAVCDPIA-JLHYYAGUSA-N 217.228 1.548 30 50 BDEA O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CO1 1875372485 GVTMBPQAHKMOMY-RYUDHWBXSA-N 235.258 1.718 30 50 BDEA C#CCN1C(=O)S/C(=C/c2ccco2)C1=O 4599182 YZDGNDQTBRQPLL-VQHVLOKHSA-N 233.248 1.949 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccccc1C 2959643 QWBDMAQVGFTSSI-UHFFFAOYSA-N 218.256 1.236 30 50 BDEA O=C(C[n+]1ccccc1)c1ccccc1[N+](=O)[O-] 3124334 BLZGPHANQAWZOL-UHFFFAOYSA-N 243.242 1.765 30 50 BDEA CNc1ncc(C(=O)/C=C/N(C)C)s1 1382607 PYZMLGRAEJGXIX-SNAWJCMRSA-N 211.290 1.443 30 50 BDEA C=CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 328594232 CHNCILIGHRZRTB-UHFFFAOYSA-N 228.251 1.334 30 50 BDEA CC#CC(=O)N[C@@H]1CCCC[C@@H]1c1ccnn1C 1875370409 NUPRIJITGIDLJH-NWDGAFQWSA-N 245.326 1.586 30 50 BDEA COc1ccc(CN(C(=O)[C@H]2CO2)C2CC2)cc1 1875373106 UDHHBXSYZIJHLQ-CYBMUJFWSA-N 247.294 1.585 30 50 BDEA N#Cc1cc(I)cnc1N 72284042 NJLCSLOABAUGHW-UHFFFAOYSA-N 245.023 1.140 30 50 BDEA in-vitro C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C#N)cn1 191896361 TWOJWLPYTBSBIG-GXSJLCMTSA-N 245.282 1.707 30 50 BDEA COC(=O)CNC1=C(C(C)=O)CCCC1 1775972924 CZKXGUUEDAWUFD-UHFFFAOYSA-N 211.261 1.166 30 50 BDEA CC#CC(=O)N1CC(=O)N(C)c2ccccc2C1 857911082 WHYWILKLPYJUGJ-UHFFFAOYSA-N 242.278 1.015 30 50 BDEA C[C@H](NC(=O)CC#N)[C@@H]1C[C@H]2CC[C@H]1C2 100909085 LFQOMKVFNXQTFL-NAKRPEOUSA-N 206.289 1.841 30 50 BDEA N#Cc1cccc(C#N)c1N1C[C@@H]2CC[C@H](C1)O2 365538489 YQFRKHUKJISKJO-BETUJISGSA-N 239.278 1.798 30 50 BDEA c1cc2c(cc1OC[C@H]1CO1)OCCO2 1875379707 UZWJGGXRZHXKMO-VIFPVBQESA-N 208.213 1.235 30 50 BDEA CN(C)CC(=O)N[C@@H](C#N)C1CCCCC1 131673302 VECYNATZARPPNR-NSHDSACASA-N 223.320 1.137 30 50 BDEA N#Cc1ccc(F)cc1N1CCS(=O)CC1 1611945308 SLWLMPHHEIZXKL-UHFFFAOYSA-N 238.287 1.266 30 50 BDEA N#CC(C#N)=NNc1ccc2c(c1)OCO2 127399 LGPDHWRELWJWHP-UHFFFAOYSA-N 214.184 1.230 30 50 BDEA Cc1nn(CC#N)c(=O)n1-c1ccc(F)cc1 1395227 LWNYVUFSHJVIGB-UHFFFAOYSA-N 232.218 1.005 30 50 BDEA O/C(C[C@@H]1C=CCCC1)=N/CCn1ncnn1 330262070 UQMXWHHHHYARMC-SNVBAGLBSA-N 235.291 1.376 30 50 BDEA CC1(C)CN(c2ncccc2C#N)C[C@]1(C)O 219600143 FDVXWKYOUGXMCP-ZDUSSCGKSA-N 231.299 1.550 30 50 BDEA C[C@H](O)C#C[C@@]1(O)[C@H](C)CCCC1(C)C 247873099 MJQWBMRBYSWPQD-NTZNESFSSA-N 210.317 1.948 30 50 BDEA CCn1nccc1/C=C1\CCn2ccnc2C1=O 585135888 HMDWFZLFZNBHJG-MDZDMXLPSA-N 242.282 1.770 30 50 BDEA C[C@]1(c2cccs2)C[C@@H]1CNC(=O)[C@H]1CO1 1875372419 FTZYFJFEFADFDE-LNLATYFQSA-N 237.324 1.541 30 50 BDEA CC#CC(=O)NCC(F)(F)c1cccnc1 1875377090 RYNGBNLKBCGREJ-UHFFFAOYSA-N 224.210 1.313 30 50 BDEA Cc1coc(C(=O)NCC#C[C@H]2CCCCO2)c1 891107312 BNMKLLBMNHYDRG-GFCCVEGCSA-N 247.294 1.890 30 50 BDEA CC(C)n1nccc1B1OCC(C)(C)CO1 169794314 QXWDTGOYOJZMQK-UHFFFAOYSA-N 222.097 1.232 30 50 BDEA in-vitro C=CCNCC[C@@H]1CCC(=O)N1CCSC 12279301 ZVRTZSIFGNKHMJ-NSHDSACASA-N 242.388 1.506 30 50 BDEA C#CC(C)(C)N1CCC(OC(C)=O)CC1 19536215 MTRLKJQWKJAYOV-UHFFFAOYSA-N 209.289 1.426 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)c2cncnc2)C1 612804072 QACZASRCILWWIH-LBPRGKRZSA-N 230.271 1.242 30 50 BDEA C=CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 2325884983 RTJVXUKJEDGZRZ-LLVKDONJSA-N 243.266 1.119 30 50 BDEA COC1=CC(=O)[C@]2(C)CC=CC[C@@H]2C1=O 1604433 BWRSBDNPEDAAMK-PRHODGIISA-N 206.241 1.641 30 50 BDEA CC[C@@]1(C)OC(=O)N(CCC#N)[C@@]1(C)O 4491449 GAFYBIUOVSDPML-ZJUUUORDSA-N 212.249 1.229 30 50 BDEA C=CCn1nnnc1NCc1cccs1 4512854 XBOYKCHWQSZLTI-UHFFFAOYSA-N 221.289 1.533 30 50 BDEA CS(=O)(=O)OC12CC3CC(CC(C3)C1)C2 4975671 DHINVMZVWZGDAB-UHFFFAOYSA-N 230.329 1.931 30 50 BDEA O=C([C@H]1CO1)N1CCC[C@H](Oc2ccccc2)C1 1875372437 GFGWRKWSLRUCSQ-QWHCGFSZSA-N 247.294 1.455 30 50 BDEA C#CCN(CC#N)C(=O)c1ccc(C)o1 225564227 QGNHJKSYBYBOOL-UHFFFAOYSA-N 202.213 1.187 30 50 BDEA COc1ccccc1/C=N/n1cnnc1 28582 RLHPVMQATFYNEU-AWNIVKPZSA-N 202.217 1.169 30 50 BDEA CC1(C)OB(c2cccc(F)c2N)OC1(C)C 203674007 QMALTZPYKLWHGO-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro C(#CCN1CCCC1)CCCN1CCCC1 1689780 RMIZJARWWRAPCN-UHFFFAOYSA-N 220.360 1.962 30 50 BDEA in-vitro COCc1[nH]c(=O)c(C#N)c(C)c1Cl 389249 SKGZIIZPKMMIGO-UHFFFAOYSA-N 212.636 1.355 30 50 BDEA C#CCOc1ccccc1/C=C/[N+](=O)[O-] 2819338 SKAVQUISBQDDOI-BQYQJAHWSA-N 203.197 1.946 30 50 BDEA CC1(C)OB(c2c[nH]nc2Cl)OC1(C)C 953001978 OVUJXGLYZQNLOW-UHFFFAOYSA-N 228.488 1.362 30 50 BDEA O=C(/C=N/O)Nc1cccc2c1CCO2 44127129 OQBZUVNZQGZHSP-IZZDOVSWSA-N 206.201 1.020 30 50 BDEA CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C 169743571 RYJOVQGRIOURGT-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro c1ccc(C/N=C2/NC[C@H](C3CC3)N2)cc1 1775998258 UFJKNVGDDNATIG-GFCCVEGCSA-N 215.300 1.514 30 50 BDEA Cc1nsc(N[C@@H]2C[C@@H](O)C2(C)C)c1C#N 309662115 YGOJGVLZRWBBPE-RKDXNWHRSA-N 237.328 1.895 30 50 BDEA N#CC(=O)Nc1ccc(Br)cc1 101021497 OFDVDYICRIKOTK-UHFFFAOYSA-N 225.045 1.911 30 50 BDEA C=C(OC)C(=O)NC1(c2cccc(C#N)c2)CC1 408523977 WSMKHPZYZHCTRO-UHFFFAOYSA-N 242.278 1.824 30 50 BDEA C#Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169745972 LOVNTFMVZVIASV-UHFFFAOYSA-N 228.100 1.967 30 50 BDEA N#Cc1ccc[n+](CC(=O)c2ccccc2)c1 1952291 DVYYXBMUZVJRDU-UHFFFAOYSA-N 223.255 1.729 30 50 BDEA CS(=O)(=O)N/N=C/C=C/c1ccccc1 2896266 HFRFBMVIYLRRSC-OSODFHRSSA-N 224.285 1.235 30 50 BDEA Cc1cc2nc(N=C(N)N)nc(C)c2cc1C 6796972 JFQDHSRWWLJCBV-UHFFFAOYSA-N 229.287 1.460 30 50 BDEA N#Cc1cnc(N2CCC[C@H]2c2ncc[nH]2)cn1 368427192 RFELTGSBEBTJFR-JTQLQIEISA-N 240.270 1.413 30 50 BDEA N/C(=N\O)[C@@H]1CC(c2ccc(F)cc2)=NO1 34929279 CELDBWJHDOPTBI-VIFPVBQESA-N 223.207 1.065 30 50 BDEA C#CCN(C)C(=O)c1ccc(CN2CCCC2)o1 823636719 HRCYDNHUOQKHMC-UHFFFAOYSA-N 246.310 1.581 30 50 BDEA CC1(C)OB(c2cnccc2F)OC1(C)C 169988937 HBMYVVCJKRKQBX-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA in-vitro CN1CCC[C@H]1CNCc1cccc(C#N)c1 221147848 CRONDXDDHXVCBT-AWEZNQCLSA-N 229.327 1.742 30 50 BDEA C=CCn1nnc(NC(=O)c2ccccc2C)n1 10010688 LCCHUBPLTVZOHK-UHFFFAOYSA-N 243.270 1.420 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)CCC(=O)O)C1 534670096 BGRZRSJFHIOQAO-LLVKDONJSA-N 224.260 1.003 30 50 BDEA CC[C@H](CC#N)NC(=O)c1cnc2[nH]cncc1-2 1152910614 ODMCZRJTNDPQRE-MRVPVSSYSA-N 243.270 1.332 30 50 BDEA N#Cc1ccc(N2CC[C@@](F)(CO)C2)c(F)c1 253392884 KGTJXZHWLFHMFX-LBPRGKRZSA-N 238.237 1.608 30 50 BDEA CC(=O)/C(=N\O)C(=O)Nc1ccc(Cl)cc1 101127007 ULGINDAWAAHKFC-UKTHLTGXSA-N 240.646 1.698 30 50 BDEA N#Cc1ccc(N2CCC3(CC2)OCCO3)cn1 149348120 RENFVTIHHXHDJC-UHFFFAOYSA-N 245.282 1.297 30 50 BDEA N#Cc1c(O)nc(O)c(C#N)c1-c1cccnc1 71773914 KEWHOKNHSUWOER-UHFFFAOYSA-N 238.206 1.298 30 50 BDEA N#CCC(=O)N[C@H]1C[C@]1(F)c1ccccc1 335159685 QSJWIKAEKDJHQV-JQWIXIFHSA-N 218.231 1.654 30 50 BDEA O=[N+]([O-])c1ccc(SCC#CCO)cc1 2910712 RULODEUBEYSXPM-UHFFFAOYSA-N 223.253 1.683 30 50 BDEA CCN/C(N)=N/CCc1ccc2[nH]ccc2c1 281818700 QWNAJJRYUATBLY-UHFFFAOYSA-N 230.315 1.635 30 50 BDEA N#Cc1nccnc1NCC1(CCO)CCC1 132656166 VEBOTQNRFFVXRQ-UHFFFAOYSA-N 232.287 1.313 30 50 BDEA CC(C)OCCCNc1cncc(C#N)n1 401273808 XDHRJTPKXBACEQ-UHFFFAOYSA-N 220.276 1.575 30 50 BDEA C=CCC1(O)CN(Cc2cccc(C#N)c2)C1 720909950 GNWNFKJZLHHSOQ-UHFFFAOYSA-N 228.295 1.681 30 50 BDEA O=C(O)C1=CN=C2C3=NC=CC[C@@H]3C=C[C@@H]2C1=O 100014586 TVBAVFFTADCWKG-SFYZADRCSA-N 242.234 1.139 30 50 BDEA in-vitro N#Cc1ccn2c(Br)cnc2c1 212063414 NPVHUJAEFUUHBZ-UHFFFAOYSA-N 222.045 1.968 30 50 BDEA CC(C)[C@H](C#N)NC(=O)C1CC(F)(F)C1 335942012 IKLFSDFDPBTXBS-QMMMGPOBSA-N 216.231 1.696 30 50 BDEA CC(C)=CC/N=C(\N)N1CCSCC1 253431110 QDEOKXCVGXVHTG-UHFFFAOYSA-N 213.350 1.316 30 50 BDEA CC(C)c1noc(=O)n1Cc1cccc(C#N)c1 1875391583 DXXZVNGHTDWJBK-UHFFFAOYSA-N 243.266 1.880 30 50 BDEA C=CC[C@@]1(C(=O)OCC)CCN(C(=O)C#CC)C1 1875369989 UOSWPEWWKYLYRZ-CQSZACIVSA-N 249.310 1.368 30 50 BDEA C=C(CC)Cn1cnc2onc(C)c2c1=O 631018169 ONMDZHAGZYIQML-UHFFFAOYSA-N 219.244 1.659 30 50 BDEA Cc1ccc(C#N)nc1N1CCCO[C@@H](C)C1 408518336 BHFKWLFKKUMHCT-NSHDSACASA-N 231.299 1.877 30 50 BDEA CN(C)C(=O)CN1CCCc2cc(C#N)ccc21 408518906 JBPNKFRJNXSDFI-UHFFFAOYSA-N 243.310 1.399 30 50 BDEA CC#CC(=O)NCC[C@@H]1CCCC1(F)F 914417723 UBZZHHMAGIRMSU-VIFPVBQESA-N 215.243 1.951 30 50 BDEA C=CCSc1nnnn1-c1ccc(OC)cc1 4103673 SZRWRABOKOSFOA-UHFFFAOYSA-N 248.311 1.949 30 50 BDEA C[C@H](CC#CCN1CCOCC1)OC(C)(C)C 22780735 FOZKROVXQWFXRL-CYBMUJFWSA-N 239.359 1.916 30 50 BDEA CO/N=[N+](/O)CC(=O)COc1ccccc1 225304835 LWTZTEZHKYRXKL-UHFFFAOYSA-N 225.224 1.050 30 50 BDEA N#CCc1nc(C(F)(F)F)ccc1O 238713452 QHQNZOHDYIGVSC-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA COc1cc2c(c(OC[C@H]3CO3)c1)C(=O)OC2 1875390059 PMTBOMYMOOWDEJ-SECBINFHSA-N 236.223 1.143 30 50 BDEA C#CCN(C)S(=O)(=O)c1cc(C)cc(F)c1 192948831 NTASHTGLHDSYNP-UHFFFAOYSA-N 241.287 1.388 30 50 BDEA CC#CC(=O)N[C@H](C)Cc1cc(F)cc(OC)c1 837183281 WFZLSOOJKUMDSD-SNVBAGLBSA-N 249.285 1.905 30 50 BDEA Cc1cc(=O)[nH]c(N/N=C/c2ccccc2F)n1 11617094 KTWHSCZCEKSURX-VGOFMYFVSA-N 246.245 1.663 30 50 BDEA C#CCNC(=O)c1cc(OC)cc(OC)c1 18230978 NYDMYRYKRDNEQH-UHFFFAOYSA-N 219.240 1.067 30 50 BDEA C(=N/n1cnnc1)\c1cc2ccccc2[nH]1 1881934 JGAIKVXQWSGKCO-MKMNVTDBSA-N 211.228 1.642 30 50 BDEA CC[C@H](C)/N=C(\N)NCCN1CCCC[C@H]1C 241132853 JMEQWRBUZDSZMA-NWDGAFQWSA-N 240.395 1.564 30 50 BDEA O=C(O)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 71773993 LRFVOEZZTNHKES-AATRIKPKSA-N 221.168 1.262 30 50 BDEA in-vitro Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C#N 169746353 HQSMPPQBXULOMO-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA in-vitro COc1ncc(NCc2cnn(C)c2)cc1C#N 1616036580 YPEZGRDHTFWBDH-UHFFFAOYSA-N 243.270 1.307 30 50 BDEA COCCOS(=O)(=O)c1ccc(C)cc1 5781593 TZXJJSAQSRHKCZ-UHFFFAOYSA-N 230.285 1.347 30 50 BDEA Cc1cn[nH]c1B1OC(C)(C)C(C)(C)O1 206064176 HQYVEZWZGLCNIU-UHFFFAOYSA-N 208.070 1.017 30 50 BDEA C=C(C)CC[C@@H](C)NCCc1nnc(N)s1 65426691 UHYVRTCBEZJFKB-SECBINFHSA-N 240.376 1.997 30 50 BDEA Cc1nnnn1Cc1ccc(Cl)cc1C#N 185379929 DESBLIIKPLNVJR-UHFFFAOYSA-N 233.662 1.555 30 50 BDEA C=C(C)C[C@H](C)C(=O)NCCNc1ncccn1 584908654 GAQFDRVBNASKDY-NSHDSACASA-N 248.330 1.607 30 50 BDEA COc1ccc(Br)c(C#N)n1 71256520 QDGRHOJWSDHVSS-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA in-vitro N#Cc1cccc2nnc(C(F)(F)F)n12 95616408 JSJFSPOSWDRMEH-UHFFFAOYSA-N 212.134 1.620 30 50 BDEA in-vitro OC1=C/C(=N\c2ccc3c[nH]nc3c2)CN1 1848443914 PAOAJNYGRGEAFV-NTEUORMPSA-N 214.228 1.638 30 50 BDEA CC1(C)OB(c2ccnc3cc[nH]c23)OC1(C)C 206027205 MPCVXMZSPIKSCI-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CC(C)(C)C 225707620 CQJRXODXSPFWDJ-ZWNOBZJWSA-N 243.347 1.227 30 50 BDEA C(#CCN1CCOCC1)COc1ccccc1 22289023 BFQCRVGAWLOXEW-UHFFFAOYSA-N 231.295 1.401 30 50 BDEA C=C(CNC(=O)/C=C/CN(C)C)c1ccccc1 291815212 KJOALJFPUDHKFN-JXMROGBWSA-N 244.338 1.934 30 50 BDEA C=CC[C@@H](C)NC(=O)[C@@H]1Cc2c(O)cccc2N1 952884223 KRJXKHKBKXGXBK-SKDRFNHKSA-N 246.310 1.810 30 50 BDEA C#CCN(C)S(=O)(=O)c1cccc(CC)c1 170619224 IXBGJKNVLISVSU-UHFFFAOYSA-N 237.324 1.503 30 50 BDEA N#Cc1cnn(CCOCC2CCC2)c1 416922765 VDHNFWKKIHTWKF-UHFFFAOYSA-N 205.261 1.571 30 50 BDEA CC1(C)OB(c2c[nH]nc2C2CC2)OC1(C)C 170004972 FYIYXDOSMNRBNT-UHFFFAOYSA-N 234.108 1.586 30 50 BDEA Cc1nc(N2CCC[C@@H](CCN)C2)ccc1C#N 261581325 QOQXWOJUEJNPNJ-LBPRGKRZSA-N 244.342 1.827 30 50 BDEA ON=C1[C@H]2C[C@@H]3C(=NO)[C@@H]4C[C@H]1[C@@H]1[C@H]2[C@@H]3[C@H]41 257358442 UMQYUJYCQHPIRM-DCCPSORISA-N 218.256 1.425 30 50 BDEA CC#CC(=O)N(Cc1cncs1)C1CC1 1875379235 OLDJDYPJIZGFEI-UHFFFAOYSA-N 220.297 1.657 30 50 BDEA CC(C)(C)OC(=O)N1CSC[C@H]1C#N 4254013 HTZOKOCBWIYDLT-SSDOTTSWSA-N 214.290 1.820 30 50 BDEA in-vitro CCOc1ccc(/C=N/n2cnnc2)cc1OC 469012 FTYNWKXVBXOGOU-VIZOYTHASA-N 246.270 1.568 30 50 BDEA C(#Cc1ccccc1)CN1CCOCC1 19287413 HYRDQBVNOSFELY-UHFFFAOYSA-N 201.269 1.370 30 50 BDEA CCOC(=O)/C(C(C)=O)=C1/CCCCCN1 100064497 IOLQCPKTVJRTQC-KHPPLWFESA-N 225.288 1.556 30 50 BDEA COC[C@@H]1C[C@H](OC)CN1c1ncccc1C#N 284428128 AHSKJSXXOABXDO-RYUDHWBXSA-N 247.298 1.193 30 50 BDEA N#Cc1c(F)cccc1N1C[C@@H](F)C[C@H]1CO 334424400 SVUFVAPGDZDHCT-IUCAKERBSA-N 238.237 1.606 30 50 BDEA CC(C)(C)OC(=O)NCC1C[C@H]2O[C@@H]2C1 238135315 DBQMOSUYSLJHCT-RKDXNWHRSA-N 213.277 1.689 30 50 BDEA CC1(C)OB(c2cnn(C3CCC3)c2)OC1(C)C 169745687 OBCTWWFLJFCNPC-UHFFFAOYSA-N 248.135 1.907 30 50 BDEA in-vitro C#CCN(CC#N)C(=O)c1ccc(F)c(C)c1 225563907 DRAWVTREXNMKOX-UHFFFAOYSA-N 230.242 1.733 30 50 BDEA C#C[C@@H](NC(=O)c1ccncc1F)[C@@H]1CCCO1 585139959 ROESVNJFAIGECK-NEPJUHHUSA-N 248.257 1.131 30 50 BDEA C[C@H]1CCCC[C@H]1OCC/N=C(\N)NC1CC1 195522508 NQBZFQFYXLOXLI-CMPLNLGQSA-N 239.363 1.648 30 50 BDEA CC#CCCn1cc(CCO)c(C(F)(F)F)n1 154901407 LEDSQUFEGATPQL-UHFFFAOYSA-N 246.232 1.850 30 50 BDEA C=C(C)CNC(=O)Nc1cccc(C(=O)NC)n1 157637311 SOTPJIKDGROZIF-UHFFFAOYSA-N 248.286 1.139 30 50 BDEA Cc1ccc([N+](=O)[O-])cc1C(=O)/N=C/N(C)C 1772572602 VERFMYPNMMJRRO-KPKJPENVSA-N 235.243 1.633 30 50 BDEA CNC(=O)C(C)(C)CNc1ccc(C#N)nc1 161102297 JSSGPUHBQOHHMD-UHFFFAOYSA-N 232.287 1.137 30 50 BDEA C[C@@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CO1 1875325356 MCWJNKMJWCKKDU-JSGCOSHPSA-N 231.295 1.791 30 50 BDEA CC(C)(CNC(=O)[C@@H]1CO1)CC1CCOCC1 1875373396 ZUGLIASQSXJBAT-NSHDSACASA-N 241.331 1.344 30 50 BDEA CC1(C)OB(c2cccc3c2OCO3)OC1(C)C 169936795 GVVNJCCBLOXETG-UHFFFAOYSA-N 248.087 1.715 30 50 BDEA in-vitro C=CCN[C@@H]1CCCC[C@H]1[S@@](=O)CC 221907789 XXFRUDOBXDWEJT-GYSYKLTISA-N 215.362 1.842 30 50 BDEA C=CCn1nc(C(=O)OC)c2c1CCCC2 611496011 RFGHGRZGAKVVSA-UHFFFAOYSA-N 220.272 1.735 30 50 BDEA CCOC(=O)[C@H](C#N)Cc1ccccc1 1571202 SYKQOFCBFHMCJV-NSHDSACASA-N 203.241 1.932 30 50 BDEA in-vitro C=CCNC(=O)c1cc(-c2ccccc2O)on1 13119826 RJJAQPFJFWCURV-UHFFFAOYSA-N 244.250 1.963 30 50 BDEA CS(=O)(=O)OC[C@@H]1CCCC(F)(F)C1 252513922 AWOIVAXWWROAJA-SSDOTTSWSA-N 228.260 1.788 30 50 BDEA in-vitro N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C3)C2)cn1 670444322 HSTQVUNBOBSGAD-PHIMTYICSA-N 241.294 1.825 30 50 BDEA Cc1c(/C=C/C(=O)c2cnn(C)c2)cnn1C 6527494 OBFHDGLLSLDLJD-SNAWJCMRSA-N 230.271 1.358 30 50 BDEA C=C(C)CNC(=O)NCc1cc(C)on1 253431434 HBPHTDMYSIJTBE-UHFFFAOYSA-N 209.249 1.358 30 50 BDEA N#CC[C@H]1CNCCN1Cc1ccccc1 165626560 RSBDWVSKPHPULI-ZDUSSCGKSA-N 215.300 1.374 30 50 BDEA CNC(=O)c1n[nH]c(C#CCC2CCCC2)n1 1506411197 ZSFPHSQINGZFHT-UHFFFAOYSA-N 232.287 1.096 30 50 BDEA CC1(C(=O)Nc2ccc(F)c(C#N)c2)COC1 241338690 MDBCNPWJWFNZSS-UHFFFAOYSA-N 234.230 1.672 30 50 BDEA CSCOCC[C@@H](O)C#C[Si](C)(C)C 169834746 DTUBVPCHACHADV-SNVBAGLBSA-N 232.421 1.955 30 50 BDEA N#Cc1ccc(=N[C@@H]2CC[C@H](F)C2)[nH]c1 336494810 PRQSFQUFJIZJCH-VHSXEESVSA-N 205.236 1.678 30 50 BDEA C#CCCC1(CCN2CC[C@@H]([C@H](C)O)C2)N=N1 2325891941 LUCZTJYHRDMRKJ-NWDGAFQWSA-N 235.331 1.655 30 50 BDEA NC(=S)N/N=C/c1ccccc1Cl 80492 ZGPJVXICCFYSRT-VZUCSPMQSA-N 213.693 1.507 30 50 BDEA CCc1c(C)nc(SCC(N)=O)c(C#N)c1C 198344 WUOYNYXRBIVXOM-UHFFFAOYSA-N 249.339 1.710 30 50 BDEA C#CC[C@H](O)c1ccccc1[C@@H](O)CC#C 1617876 XBBNTCTUWOYKJA-KBPBESRZSA-N 214.264 1.800 30 50 BDEA N/C(S)=N\N=C/C=C/c1ccccc1 11536049 SHUQFXIRXYXNOZ-JHLWKMQHSA-N 205.286 1.930 30 50 BDEA in-vivo Cc1n[nH]c(/N=C(\O)N(C)Cc2ccco2)n1 48087872 FHIJAXJQFQAQST-UHFFFAOYSA-N 235.247 1.384 30 50 BDEA CCn1cc(CN(C)C[C@@H]2CCCO2)cc1C#N 826773294 FIMLGWPYLHXHIU-AWEZNQCLSA-N 247.342 1.990 30 50 BDEA CC(C)(NC(=O)[C@@H]1CO1)c1cccc(C#N)c1 1875373203 WBZVAUJQTZYTEI-NSHDSACASA-N 230.267 1.308 30 50 BDEA CC#CC(=O)NCCCN(C)c1ccc(F)cc1 1875363026 RTLCQKIFHVCQGS-UHFFFAOYSA-N 248.301 1.792 30 50 BDEA OC[C@H](O)/C=N/Nc1nc2ccccc2s1 64222 NDBAENCTDXZASY-IGCGCMMHSA-N 237.284 1.047 30 50 BDEA CN(C)c1ccc(C(=O)NCC#N)c(F)c1 120862650 FAUKIFBKGSBAQO-UHFFFAOYSA-N 221.235 1.145 30 50 BDEA C=CCSc1nc(CC)c(C#N)c(=O)[nH]1 5238861 FUGYSVMVRZTOCX-UHFFFAOYSA-N 221.285 1.482 30 50 BDEA C[C@H]1CCC[C@H]1Nc1nccc(C#N)n1 231901431 RCPDNYBHQRUPPH-WCBMZHEXSA-N 202.261 1.949 30 50 BDEA N#CC1(S(=O)(=O)c2ccccc2)CC1 2543522 WNGQBJMKDBITJT-UHFFFAOYSA-N 207.254 1.516 30 50 BDEA Cc1cc(OCC2(C#N)CCC2)nn1C 333870447 BPJJCOOYIWTYHJ-UHFFFAOYSA-N 205.261 1.801 30 50 BDEA COc1ccc(/C=N/n2c(C)nnc2C)cc1 135481 CJQQQRVWQGCZNB-MDWZMJQESA-N 230.271 1.786 30 50 BDEA C[C@@H]1CN(c2cccnc2C#N)C[C@@H](C)S1=O 570254711 RLPXHNNYCXYJCB-NXEZZACHSA-N 249.339 1.299 30 50 BDEA N#Cc1c(C2=CCCNC2)ncc2c1CCC2 1240656741 KDVZFPQHLKNAHE-UHFFFAOYSA-N 225.295 1.819 30 50 BDEA N#CCS(=O)(=O)c1ccc(Cl)cc1 153541 HAQGVGPNKGGSMK-UHFFFAOYSA-N 215.661 1.637 30 50 BDEA in-vitro Cc1nnc(N[C@H]2C[C@@](C)(O)C2)c(C#N)c1C 591369503 UATOAVOLPLUMNS-WVSHTKLVSA-N 232.287 1.290 30 50 BDEA CC1(C)C[C@](C#N)(N2CCOCC2)CCO1 19336522 ABPKAJAVAVNAQC-GFCCVEGCSA-N 224.304 1.170 30 50 BDEA CC1(C)NC(=O)N(Cc2cccc(C#N)c2)C1=O 19427772 WIGGTOXSEVKJAZ-UHFFFAOYSA-N 243.266 1.389 30 50 BDEA Cc1cc(C(F)F)n2ncc(C#N)c2n1 2735417 WNKHGVSSAWYYGZ-UHFFFAOYSA-N 208.171 1.847 30 50 BDEA C=CCNC(=O)Cc1ccc(OC)c(C)c1 72119269 DMZXMQBGLNEVRH-UHFFFAOYSA-N 219.284 1.848 30 50 BDEA CCOC(=O)[C@]1(C)O[C@]12C[C@@H](C)N(C)C[C@H]2C 245311350 NUSPFIPXZQKSOH-AAXDQBDMSA-N 241.331 1.437 30 50 BDEA CC(C)(CO)[C@H](NC(=O)CC#N)c1ccccc1 562964586 FZCSHWJYWPCTDE-CYBMUJFWSA-N 246.310 1.776 30 50 BDEA N#C[C@@H](C(=O)CN1CCCC1)c1ccccc1 3214896 MIQBODALSIZJJE-CYBMUJFWSA-N 228.295 1.959 30 50 BDEA CCOC(=O)/C(=N\O)c1c[nH]c2ccccc12 23467716 SIUOJGYDGONQPU-KAMYIIQDSA-N 232.239 1.909 30 50 BDEA CN1C(=O)C[C@H](C#N)[C@H]1c1ccccc1 259919295 RCETYMRVDTYILC-ZYHUDNBSSA-N 200.241 1.730 30 50 BDEA N#CCC(=O)N1CCCC[C@@H]1C(F)F 336251084 XZDNMVYBOMQKBZ-SSDOTTSWSA-N 202.204 1.546 30 50 BDEA Cc1ccc(S(=O)(=O)OCC2COC2)cc1 146021091 DZDXQYOMYPRXBA-UHFFFAOYSA-N 242.296 1.347 30 50 BDEA in-vitro CC[C@H](CC#N)NC(=O)[C@@H]1CCCc2[nH]ncc21 183812598 FHDCOQZZXJMGMU-NXEZZACHSA-N 246.314 1.638 30 50 BDEA Cc1cnc(C#N)c(B2OC(C)(C)C(C)(C)O2)c1 253496211 WIQWKKWGOGPLQG-UHFFFAOYSA-N 244.103 1.561 30 50 BDEA CCc1nc(CN2CCC(C)(C#N)CC2)n[nH]1 252478157 AEOJAOSQEORQAE-UHFFFAOYSA-N 233.319 1.493 30 50 BDEA c1cc([C@H]2CCOC2)ccc1OC[C@H]1CO1 1875379107 NKEXXRNTNMXBAW-AAEUAGOBSA-N 220.268 1.968 30 50 BDEA CC#CC(=O)NCC(=O)c1ccc(OC)cc1 1179748665 ZLZOWQIITSQMOQ-UHFFFAOYSA-N 231.251 1.017 30 50 BDEA COC[C@H]1CN(CCCC#N)C[C@@H](C)O1 189423181 GYKFUKQHHFTXJL-GHMZBOCLSA-N 212.293 1.026 30 50 BDEA COC(=O)c1cc(OC[C@@H]2CO2)ccc1C 1875378453 DDXCNRJHJICHKM-SNVBAGLBSA-N 222.240 1.559 30 50 BDEA C=CCn1c(=N)n(CC(=O)OC)c2ccccc21 19757693 FGSYDLODIWBCNZ-UHFFFAOYSA-N 245.282 1.281 30 50 BDEA CNC(=S)N(C)/N=C/C(=O)c1ccccc1 5018682 JNKXCCFOTAGTDU-MDWZMJQESA-N 235.312 1.291 30 50 BDEA N#Cc1ccc(N2CCC[C@H](F)C2)nc1 334502992 DZCJLVKUTIHCSD-JTQLQIEISA-N 205.236 1.892 30 50 BDEA C[C@H]1CCC(=O)C[C@H]1N(CC#N)CC#N 725362338 TWVJTYIBENUCHC-GXSJLCMTSA-N 205.261 1.093 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@@H](CO)C(C)(C)[C@H]1C 1875376964 OECGEKATCQABEW-SDDRHHMPSA-N 237.343 1.559 30 50 BDEA N#CCOc1cccc(OC[C@H]2CO2)c1 1875379881 YVJXDBKJPYNKAP-NSHDSACASA-N 205.213 1.367 30 50 BDEA Cc1nc(N=C(N)N)nc2c(C)cccc12 13155067 ZZFRROOYRMMSET-UHFFFAOYSA-N 215.260 1.152 30 50 BDEA biogenic CCOC(=O)c1cc(C#N)c(OCC)nc1C 2551317 FRHQVOSRFVIPJL-UHFFFAOYSA-N 234.255 1.837 30 50 BDEA C[C@H](CNc1cnccc1C#N)C(=O)O 135580250 HHZPGQMAZBSQOV-SSDOTTSWSA-N 205.217 1.086 30 50 BDEA CC(=O)Nc1ccc(C(=O)CC#N)cc1 270837 CSSYMJHFGPFVKH-UHFFFAOYSA-N 202.213 1.741 30 50 BDEA in-vitro Cn1cc(C#N)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)n1 333904494 ULDVSDWJVJJXTR-QXEWZRGKSA-N 244.298 1.666 30 50 BDEA CC(C)CC12CN3CCN(CC(C3)/C1=N/O)C2 100820855 MCGCWNGBOJJTEP-OWBHPGMISA-N 237.347 1.110 30 50 BDEA Cc1occc1SCC(=O)NCC#N 131283136 IYKUCPHENAKPCJ-UHFFFAOYSA-N 210.258 1.320 30 50 BDEA C=CC[C@@H]1CCN(C(=O)CCC(=O)O)C1 630230949 SLHURQWMUPTKRI-SECBINFHSA-N 211.261 1.276 30 50 BDEA C[C@@H]1CN(C(=O)[C@H]2CO2)[C@@H](c2ccccc2)CO1 1875372429 FXVHKMKKDMTKDH-RAIGVLPGSA-N 247.294 1.374 30 50 BDEA CC1(C)OB(c2cncc(C=O)c2)OC1(C)C 169747623 WVIMCYHOZKNOCS-UHFFFAOYSA-N 233.076 1.193 30 50 BDEA in-vitro C=C(C)C(=O)OC[C@H]1COC(C)(C)O1 5158246 JPFPDGRVRGETED-QMMMGPOBSA-N 200.234 1.257 30 50 BDEA COc1ccc(/C(N)=N/O)c2ccccc12 17819607 BQSTXUNHHBLHEM-UHFFFAOYSA-N 216.240 1.943 30 50 BDEA CCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 202381917 ALCNQIYTEZKNKV-UHFFFAOYSA-N 248.135 1.813 30 50 BDEA C/N=C(\C)c1c(O)c2ccccc2oc1=O 100312054 DFTZIWPBHSMDBV-NTUHNPAUSA-N 217.224 1.937 30 50 BDEA CC(=O)Oc1ccc(C#N)c(OC(C)=O)c1 397491 BBUXIGVBRCIUQS-UHFFFAOYSA-N 219.196 1.409 30 50 BDEA CCCOc1ccccc1/C=N/Nc1nnn[nH]1 4991953 OWIVUACTTQDVDB-XYOKQWHBSA-N 246.274 1.435 30 50 BDEA O=[S@@]1OC[C@H](COc2ccc(Cl)cc2)O1 71776855 MYZBYHKKLQVZRQ-VFZGTOFNSA-N 248.687 1.713 30 50 BDEA N#Cc1cccc(NC(=O)NC(CF)CF)c1 454207196 KPNLPZBYXDZPMB-UHFFFAOYSA-N 239.225 1.987 30 50 BDEA CC#CC(=O)N(C)CCc1ccccc1O 1875363154 VZXPREDJSCREAR-UHFFFAOYSA-N 217.268 1.416 30 50 BDEA CC#CC(=O)NCC(C)(C)CC1CCOCC1 1875363203 CUPNVLLKKOTPDP-UHFFFAOYSA-N 237.343 1.969 30 50 BDEA CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C 169745773 YRPXZCWDXBNPBD-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA in-vitro CC1(C)OB(c2sccc2CO)OC1(C)C 169969413 LAGBITZYMDFUMF-UHFFFAOYSA-N 240.133 1.540 30 50 BDEA in-vitro COCC/N=C(/S)NCc1cccs1 13496757 OWQBQLTXCPGKTM-UHFFFAOYSA-N 230.358 1.770 30 50 BDEA CC#CC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 801195280 XNSOWDPOBVTMST-STQMWFEESA-N 221.300 1.331 30 50 BDEA Cc1nsc(N[C@@H]2[C@H]3COC[C@H]32)c1C#N 308964975 UTIKUMVACGIGPR-BRPSZJMVSA-N 221.285 1.380 30 50 BDEA CC(C)(C)OC(=O)NCC1C[C@@H]2O[C@H]2C1 238135288 DBQMOSUYSLJHCT-IUCAKERBSA-N 213.277 1.689 30 50 BDEA C=Cn1cc[n+](CC(=O)c2ccc(OC)cc2)c1 1741357 JFCVOAHFFHNFPG-UHFFFAOYSA-N 243.286 1.768 30 50 BDEA C=C/C(O)=N/[C@@H]1CCN(/C(O)=N/CC)C1 328600136 VUOAFGUWLGFQIN-MRVPVSSYSA-N 211.265 1.137 30 50 BDEA Cc1nn(C)c(C)c1CNc1ccc(C#N)nc1 149395263 YPUSMUHYNFWQDW-UHFFFAOYSA-N 241.298 1.916 30 50 BDEA O=C(O)C(F)(F)C(F)(F)C(F)(F)F 3861259 YPJUNDFVDDCYIH-UHFFFAOYSA-N 214.036 1.904 30 50 BDEA biogenic,in-vitro C=CC[C@@H](C)NC(=O)Cc1cccc(N)c1 169024047 DZIPSEFEPNAJLB-SNVBAGLBSA-N 218.300 1.892 30 50 BDEA N#Cc1ccccc1CN1C(=O)CCC1=O 19422790 LUVQESCNOYMEQL-UHFFFAOYSA-N 214.224 1.207 30 50 BDEA in-vitro CC[C@H](C#CCN1CCCCC1)OC(C)=O 208680 MWQCPJDLBAQOKZ-CYBMUJFWSA-N 223.316 1.817 30 50 BDEA CC(=O)N/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 2996934 HBRUIULKBDKADW-ZTYHLSTJSA-N 207.273 1.642 30 50 BDEA biogenic CC#CC(=O)N[C@@H](C1CC1)C(F)(F)F 291774651 MZKKBAAFRUPXHY-QMMMGPOBSA-N 205.179 1.467 30 50 BDEA N#Cc1ncc(C(F)(F)F)cc1-n1cncn1 261494750 CQEVZFLFBRWXOC-UHFFFAOYSA-N 239.160 1.553 30 50 BDEA COc1ccc([C@]2(C)O[C@H]2C#N)cc1OC 380496004 BKULVQXBYQJVMR-RYUDHWBXSA-N 219.240 1.841 30 50 BDEA CCn1cc([C@@H]2OCCC[C@H]2C=O)cn1 390822017 HQGFWHZRZTYHGL-GXSJLCMTSA-N 208.261 1.570 30 50 BDEA CC(C)(O)c1ccc(OC[C@H]2CO2)cc1 1875389972 AWXMBKLILSZXCE-NSHDSACASA-N 208.257 1.692 30 50 BDEA N#Cc1ccc(NC(=O)Nc2cnc[nH]2)cc1 225552568 SNXXWKQXRNJDPR-UHFFFAOYSA-N 227.227 1.925 30 50 BDEA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@]21C=O 1857780847 VJNXTYPBBWDBGA-LNLATYFQSA-N 225.288 1.879 30 50 BDEA COc1ccc(/C=C2\C(=O)ON=C2C)cc1O 4491922 SJEOXDXDZBSYEG-UITAMQMPSA-N 233.223 1.717 30 50 BDEA biogenic O=C[C@H]1C=Nc2nccc(Br)c21 100463577 QJWUFFHQWVUITC-RXMQYKEDSA-N 225.045 1.843 30 50 BDEA CS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 35570370 LGCUPQRKPXOJGQ-UHFFFAOYSA-N 249.213 1.981 30 50 BDEA COc1ccc(C(=O)On2ccccc2=O)cc1 43214897 GDBDQPORGXTRTO-UHFFFAOYSA-N 245.234 1.126 30 50 BDEA CC#CC(=O)NC[C@@H]1C(C)=C1[Si](C)(C)C 1875309123 RYBZSLDNHRZSKJ-SNVBAGLBSA-N 221.376 1.950 30 50 BDEA CC(C)(C)OC(=O)[C@H](C#N)c1cnccn1 12505562 LWVNNGDSNSDZKD-MRVPVSSYSA-N 219.244 1.425 30 50 BDEA in-vitro C#CCN(CC#N)C(=O)C[C@@H]1C=CCC1 252492246 MGOKNKVXGGQPBN-LLVKDONJSA-N 202.257 1.328 30 50 BDEA CC[C@H](C#N)C(=O)N1CC[C@H](C)[C@@H](OC)C1 230248225 XRQPDWIOMNQWNZ-AXFHLTTASA-N 224.304 1.420 30 50 BDEA Cn1nccc1[C@@H]1Nc2ccccc2C(=O)N1O 5598851 KWFPTSOBUYBTRM-LLVKDONJSA-N 244.254 1.376 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@@H]2O[C@@H]2C1 39416749 PHSSLYCBJRMEEV-NWDGAFQWSA-N 233.267 1.796 30 50 BDEA in-vitro CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 334451539 WFCJBJSDYZJYEV-UHFFFAOYSA-N 229.161 1.332 30 50 BDEA C[C@@H](C#N)C(=O)N1CCc2c(F)cccc21 336024517 WBDRQTYQVQSMPU-QMMMGPOBSA-N 218.231 1.874 30 50 BDEA Cn1c(=O)c2ccccc2n(CCCC#N)c1=O 40544884 XBXYYFXKZYTJHW-UHFFFAOYSA-N 243.266 1.004 30 50 BDEA COC(=O)Cc1cc(Cl)nc(Cl)c1C#N 85224228 XUVNRQHDVZTPRW-UHFFFAOYSA-N 245.065 1.976 30 50 BDEA COc1cnc(Br)c(C#N)c1 260834078 XNDYWYVCWZTECU-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA CC1(C)OB(c2ccc(O)cc2F)OC1(C)C 169746660 ASYQJYIEVNXWDV-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA CCOC(=O)C[n+]1c(N)n(CC)c2ccccc21 15773680 ASKCCXNUNOWUMW-UHFFFAOYSA-O 248.306 1.094 30 50 BDEA CCn1cc(CNc2cc(C#N)ccn2)cn1 343950567 BAEJECGMZANHLO-UHFFFAOYSA-N 227.271 1.782 30 50 BDEA COc1ccc(N/C(S)=N/CCCO)cc1 2986510 WLKQSJMEQMRYAY-UHFFFAOYSA-N 240.328 1.775 30 50 BDEA N#Cc1ccc(N2CC(C(F)(F)F)C2)nc1 334142340 NSNAIDJDICZJIJ-UHFFFAOYSA-N 227.189 1.952 30 50 BDEA CC(=O)NCCB1OC(C)(C)C(C)(C)O1 390835896 QQXYYKZWFULCOM-UHFFFAOYSA-N 213.086 1.215 30 50 BDEA CCOC(C[C@@H](C#N)C(=O)OC(C)C)OCC 675050778 XULNHKVQXCYHAL-JTQLQIEISA-N 243.303 1.867 30 50 BDEA Cc1nn(-c2ccc(N)cc2)c(N)c1C#N 95494831 SXRYFUOIGCZPAO-UHFFFAOYSA-N 213.244 1.217 30 50 BDEA in-vitro C#CCCN1CCC(C(=O)NCCCC)CC1 225478174 LYXZXMHLDZKOBJ-UHFFFAOYSA-N 236.359 1.638 30 50 BDEA CCOc1ccc(NC(=O)CC#N)cc1 64994 OVLKYXWCLMCKIB-UHFFFAOYSA-N 204.229 1.937 30 50 BDEA in-vitro CS/C(N)=N\C1=NN(c2ccccc2)CC1 5007543 IJQHGSZAEBMKHZ-UHFFFAOYSA-N 234.328 1.888 30 50 BDEA CCCCCCCN1C[C@H](O)C[C@@H]1C(=O)O 2390997 QWMDYNIEGNYUSY-GHMZBOCLSA-N 229.320 1.477 30 50 BDEA C=CC[n+]1c2n(c3ccccc31)C[C@H](O)CS2 439779 NPVODFWFYYFCPH-JTQLQIEISA-N 247.343 1.581 30 50 BDEA Cc1ccc(Cl)c2c1NC(=O)/C2=N\O 6556680 YKIILHOIUVUGLL-UHFFFAOYSA-N 210.620 1.779 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 6692794 OXBRIRFGDOEMFY-JTQLQIEISA-N 236.296 1.965 30 50 BDEA COc1ccc(OC)c([C@@]2(C)O[C@H]2C#N)c1 309495153 KSOMTNLFCACHNE-NWDGAFQWSA-N 219.240 1.841 30 50 BDEA CC(=O)Oc1cn(OC(C)=O)c2ccccc12 71606801 BFOSGUOOSPMQOE-UHFFFAOYSA-N 233.223 1.542 30 50 BDEA C[C@H]1CN(CCOc2ccc(C#N)cc2)CCN1 40456370 OCUPCDKLRYXVMU-LBPRGKRZSA-N 245.326 1.231 30 50 BDEA C[C@@H]1[C@]2(C)OC3=NC(=N)[C@]1(C#N)[C@@]3(C#N)[C@@H](C)O2 230013053 CWFULRGXCRZMDM-USQSKNHBSA-N 244.254 1.197 30 50 BDEA CCNC(NCC)=C1C(=O)CC(C)(C)CC1=O 170610671 DHAFSQOXSINPEV-UHFFFAOYSA-N 238.331 1.375 30 50 BDEA C#CCN(C)C(=O)c1cc(NC(C)=O)ccc1F 191139565 CPOJYROWNBGGJS-UHFFFAOYSA-N 248.257 1.489 30 50 BDEA CCN(C)[C@@H]1CCN(c2nc(C#N)ncc2C)C1 1875290111 WFMDDPAZTBTODQ-LLVKDONJSA-N 245.330 1.187 30 50 BDEA Cc1ccc(C#N)c(SCC(=O)O)n1 52930 QYCYSQBOJXUZOE-UHFFFAOYSA-N 208.242 1.438 30 50 BDEA N#CC(C#N)=NNc1ccccc1C(=O)O 272282 RQHWLNIWNUNYDJ-UHFFFAOYSA-N 214.184 1.200 30 50 BDEA CCCN/C(=C\C(=O)C(F)(F)F)OCC 79387478 XNLUWFUVXUFAFN-SOFGYWHQSA-N 225.210 1.995 30 50 BDEA Cc1c(Br)c(O)[nH]c(=O)c1C#N 217043321 HRGDBBDXSFWHRX-UHFFFAOYSA-N 229.033 1.023 30 50 BDEA CN(C)[C@@H]1CCCN(c2ccc(C#N)cn2)CC1 72168722 DKJXCJJPPUULKW-CYBMUJFWSA-N 244.342 1.874 30 50 BDEA C=C(C)CS(=O)(=O)N[C@@H]1CC[C@@H](F)C1 335953137 VFFHBBHALCOZHC-RKDXNWHRSA-N 221.297 1.373 30 50 BDEA c1ccc2c(c1)CC(B1OCCNCCO1)C2 197009466 PLSXCXOMNZXQRU-UHFFFAOYSA-N 231.104 1.280 30 50 BDEA CC1(C)OB(c2cnc(C#N)s2)OC1(C)C 203613691 UENRWDCELXPIDX-UHFFFAOYSA-N 236.105 1.314 30 50 BDEA C/N=C1/S[C@H](Cc2ccccc2)[C@@H](O)N1C 4759817 SQWBXSNKPBAHFQ-AYHAQHTHSA-N 236.340 1.581 30 50 BDEA COc1cc(/C(C)=N\O)cc(OC)c1OC 100164194 LGCDHCGMGDSSIO-GHXNOFRVSA-N 225.244 1.911 30 50 BDEA COc1ccccc1C1=CC(=O)C=CC1=O 103690883 BCGGKSIAOHNRGM-UHFFFAOYSA-N 214.220 1.787 30 50 BDEA N/C(=N\O)c1cc(F)ccc1Br 145914247 UNPLRUDHIXPQPC-UHFFFAOYSA-N 233.040 1.683 30 50 BDEA CN1C[C@@]23CCCC[C@@]2(C1)CN(CC#N)C3 1337638592 XNFFESWWTABLJM-CHWSQXEVSA-N 219.332 1.318 30 50 BDEA C[C@@H](CC(N)=O)N(C)Cc1ccccc1C#N 1506421647 KKSUMRGCMWBXGE-JTQLQIEISA-N 231.299 1.254 30 50 BDEA Cc1cc(C)cc(NC(=O)C/C(N)=N/O)c1 3907069 NQKCOGMVCMTTLW-UHFFFAOYSA-N 221.260 1.378 30 50 BDEA CN(C[C@H]1CCCOC1)c1ccc(C#N)nc1 149413182 SUEVHZJUJGDHRI-LLVKDONJSA-N 231.299 1.816 30 50 BDEA CC1(C)OB(c2ccc(Cl)nn2)OC1(C)C 169858390 MQXMKVFUZCFQSM-UHFFFAOYSA-N 240.499 1.429 30 50 BDEA N#Cc1ccnc(N2CCC[C@@H](F)C2)c1 334333788 VMOGBWSZKPYTOA-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA CC(C)(C)c1ccc(=N/N=C/c2cnon2)[nH]n1 2325752558 BSUNCARQMAHYSN-WUXMJOGZSA-N 246.274 1.025 30 50 BDEA N#CC1(C#N)[C@@H](c2ccccc2Cl)[C@H]1C(N)=O 50374 DQUVJZLMWOELLT-UWVGGRQHSA-N 245.669 1.572 30 50 BDEA C=C(C)C(=O)OCCOCCOC(=O)C(=C)C 2038680 XFCMNSHQOZQILR-UHFFFAOYSA-N 242.271 1.242 30 50 BDEA in-vitro O=C1CC=CC=C(c2ccc3c(c2)OCO3)C1=O 71783710 IVCZHYKPKNJPIT-UHFFFAOYSA-N 242.230 1.897 30 50 BDEA N#Cc1ccc([C@@H](C#N)N2CCOCC2)cc1 37357188 XRCBMEHPDZIWES-CYBMUJFWSA-N 227.267 1.455 30 50 BDEA C=CCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O 86003078 HAMXQRSEDGZKRF-UTINFBMNSA-N 223.272 1.036 30 50 BDEA O=C(O)COc1ccc(C=NO)cc1Cl 252320718 PRFCFWMEVHNNQN-UHFFFAOYSA-N 229.619 1.612 30 50 BDEA CC(=O)O[C@@H]1CC[C@@H]2O[C@H]2CC[C@H]1OC(C)=O 252427718 DDOPOVHQTMCWBV-WYUUTHIRSA-N 242.271 1.191 30 50 BDEA N#CC1(CNCc2ccc(CO)o2)CC1 308946631 SMCURXALQVEAEL-UHFFFAOYSA-N 206.245 1.165 30 50 BDEA C=CCNS(=O)(=O)c1ccc(SC)cc1 2864350 MXRCPDFLHUHLLL-UHFFFAOYSA-N 243.353 1.873 30 50 BDEA CN(C)CCCNCC#Cc1ccccc1 20215526 PLTOWQMFVHUJLQ-UHFFFAOYSA-N 216.328 1.579 30 50 BDEA C#CC[C@@H](NC(=O)Cc1ccccc1C)C(=O)O 149833642 XCVKIPLQMGAEPZ-GFCCVEGCSA-N 245.278 1.130 30 50 BDEA C#C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 95743498 NMCVJBKPWSSTOQ-LBPRGKRZSA-N 225.288 1.382 30 50 BDEA N#Cc1cc(C(=O)C(=O)O)cc(C(F)(F)F)c1 725262049 SZMHGQMTMXTSEK-UHFFFAOYSA-N 243.140 1.844 30 50 BDEA Cc1c(C(=O)N2CC[C@H](C#N)C2)cnn1C(C)C 1875268122 ZMNUXRRIFPGCLD-LLVKDONJSA-N 246.314 1.758 30 50 BDEA C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CO2)C1 1875373361 ZEXKHVDPAIUKFL-DZGCQCFKSA-N 245.322 1.966 30 50 BDEA OCc1nccn1CC#Cc1ccc(F)cc1 2325880224 ZBHQNIMDQCUWOB-UHFFFAOYSA-N 230.242 1.566 30 50 BDEA CC(=O)C1=C(O)C(=O)N(C)[C@H]1c1ccccc1F 52704 OMNLPRSJMBPUKQ-NSHDSACASA-N 249.241 1.740 30 50 BDEA COC(=O)Cn1cc(C#N)c2ccccc21 555477 KFOOXEPMDGYKQB-UHFFFAOYSA-N 214.224 1.686 30 50 BDEA CN(C)/C=C/C(=O)c1cnc2sccn2c1=O 1395766 HQAANRMDQOOLOH-ONEGZZNKSA-N 249.295 1.014 30 50 BDEA C1C[C@@]2(CO2)C23C1(CC[C@]21CO1)CC[C@]31CO1 101050471 SFUDZMIFVWDHFP-VWGAPNJBSA-N 234.295 1.648 30 50 BDEA N#Cc1c(O)nc(O)c(C#N)c1-c1ccncc1 71773912 OIWINFGQLRCHGI-UHFFFAOYSA-N 238.206 1.298 30 50 BDEA CC(C)c1cc(=O)[nH]c2c(C#N)cnn12 229925371 QOWGRIXRPCZGOQ-UHFFFAOYSA-N 202.217 1.018 30 50 BDEA Cc1cccc(N2C[C@@H](/C(N)=N/O)CC2=O)c1 221629312 GFIHENZMCDVFIU-VIFPVBQESA-N 233.271 1.094 30 50 BDEA Cc1ccc([N+](=O)[O-])c(N2CC(O)(CC#N)C2)c1 302835362 VEXBXADDGIJMBJ-UHFFFAOYSA-N 247.254 1.368 30 50 BDEA C[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H](C2CC2)O1 408522616 KPRTWHOMFBLPJZ-KOLCDFICSA-N 244.298 1.352 30 50 BDEA C(=C/c1ccccc1)\C=N\Nc1nnn[nH]1 5578226 QBWXSGSAMQGELO-VCABWLAWSA-N 214.232 1.311 30 50 BDEA N#Cc1sc(Br)cc1N 16696880 PZSQZPJVLKWSQD-UHFFFAOYSA-N 203.064 1.964 30 50 BDEA in-vitro C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 402696742 DUKATVXOTAVDPN-FIQHERPVSA-N 218.300 1.865 30 50 BDEA S=c1[nH]ncn1/N=C/c1ccccc1 309874 SOJDFRMKXRGAEQ-IZZDOVSWSA-N 204.258 1.823 30 50 BDEA CCOC(=O)[C@@H]1CCC(OCC)=CC1=O 113269976 DQZJBCFOPNAVTB-SECBINFHSA-N 212.245 1.449 30 50 BDEA N#Cc1c(O)cc(C(=O)O)cc1Br 263623283 GFEHNMYAHHNYRD-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CN1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 169810092 MLLLVYRKIFZQTJ-UHFFFAOYSA-N 223.125 1.880 30 50 BDEA in-vitro C=CCON[C@H]1CCCC[C@H]1NOCC=C 12343869 CMVQQYFPNFSPIG-TXEJJXNPSA-N 226.320 1.712 30 50 BDEA Nc1[nH]c(=S)[nH]c(=O)c1/N=C/c1ccccc1 6493953 SAKOXVNKDMWWLF-AWNIVKPZSA-N 246.295 1.765 30 50 BDEA in-vitro CC#CCN=C1NC[C@@H]2CC[C@H](C)CN12 2325801519 LVSNDECHBCWUAM-QWRGUYRKSA-N 205.305 1.069 30 50 BDEA CC(C)[C@H]1CN/C(=N/Cc2ccccc2)N1 1775993830 LVQSAGHAZLJPFF-GFCCVEGCSA-N 217.316 1.760 30 50 BDEA CC(=O)N1CCCc2cc(C#N)ccc21 2523130 OUSBYSBWTAUELS-UHFFFAOYSA-N 200.241 1.857 30 50 BDEA in-vitro CCn1ncc(/C=C/C(=O)c2cnn(C)c2)c1C 6490026 JJVADHLQEWZNIK-AATRIKPKSA-N 244.298 1.841 30 50 BDEA C[C@@]1(/N=C(/O)c2csc(O)n2)CCOC1 329904278 JAVCPTXJLGXCDE-SECBINFHSA-N 228.273 1.332 30 50 BDEA C=C[C@@H](CC(=O)N1CC[C@@H](N)C1)c1ccccc1 577065883 FSLNTWZDRCDHNP-GXTWGEPZSA-N 244.338 1.906 30 50 BDEA O=S1(=O)OCC[C@H]1Cc1ccccc1 5051743 YMDYPJRCONIRKH-JTQLQIEISA-N 212.270 1.348 30 50 BDEA COc1cc2c(cc1OC)C(CC#N)=NCC2 100244865 FIIFYAUIXKFDEZ-UHFFFAOYSA-N 230.267 1.963 30 50 BDEA C=CCNC(=O)c1ccc(C(=O)OC)cc1 8316835 ZDLKIFVIURDOSJ-UHFFFAOYSA-N 219.240 1.389 30 50 BDEA O=C1C=CC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C=C[C@H]43)[C@@H]12 104291541 BNYIXTDUIJYRGD-CKUNWJCOSA-N 212.248 1.545 30 50 BDEA CC#CC(=O)NCc1ccc(F)c(COC)c1 283260758 QXHXELWDZRCXKA-UHFFFAOYSA-N 235.258 1.612 30 50 BDEA C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 33979020 APXWRHACXBILLH-QMMMGPOBSA-N 229.276 1.629 30 50 BDEA CNC(=NCc1cnn(-c2ccccc2)c1)NC 161486483 CJCSVPWNNMINNO-UHFFFAOYSA-N 243.314 1.167 30 50 BDEA CC1=C[C@@H]2C=C[C@@H]3C[C@H](OS(C)(=O)=O)[C@H]1[C@@H]32 253589472 GIANXRWUNDVYDF-KZZRWZIVSA-N 240.324 1.729 30 50 BDEA CC1(C)OB(c2ccc(F)o2)OC1(C)C 616582345 NPJTUPAPNWAHMR-UHFFFAOYSA-N 212.029 1.718 30 50 BDEA C[C@]1(c2ccc(S(C)(=O)=O)cc2)O[C@@H]1C#N 380511334 NVBWBALKUHOLLU-GHMZBOCLSA-N 237.280 1.228 30 50 BDEA N#Cc1cnc(S[C@@H]2CCOC2)cn1 408353639 CPUHKVYTXJBHQW-MRVPVSSYSA-N 207.258 1.229 30 50 BDEA CCOc1ccc(/C(=N/O)[C@@H](C)NO)cc1 13153890 ZUQNRFAANVNQML-DJTJNUHNSA-N 224.260 1.631 30 50 BDEA CCC(=O)Nc1ccc(C(=O)NCC#N)cc1 4867800 GIIFXHWRUIBZDL-UHFFFAOYSA-N 231.255 1.288 30 50 BDEA N#Cc1cnn2c(N)cc(-c3ccccc3)nc12 84704699 OFOBESMNUFHZLF-UHFFFAOYSA-N 235.250 1.850 30 50 BDEA N#C/N=C(\N)c1cccc(C(F)(F)F)c1 43769309 IUQTUCCONDYPSB-UHFFFAOYSA-N 213.162 1.892 30 50 BDEA O=C([C@@H]1CO1)N(Cc1ccccc1)C1CC1 1875373141 UWLMPGCMRUMZAM-LBPRGKRZSA-N 217.268 1.576 30 50 BDEA C#CCN(C)[C@@H](C)c1nc(C(C)C)no1 170611975 PSSVWHKNXLYILV-VIFPVBQESA-N 207.277 1.819 30 50 BDEA CC1(C)OB(C2=CCN(C=O)CC2)OC1(C)C 169956046 DKIDRPUPPIZLGM-UHFFFAOYSA-N 237.108 1.406 30 50 BDEA COC(=O)CCCCCCC1=C[C@@H](O)CC1=O 2504741 PQKUWAVOSCVDCT-LLVKDONJSA-N 240.299 1.760 30 50 BDEA in-vitro CC1=NOC(=O)[C@H]1C(C)(C)[C@@H]1C(=O)ON=C1C 100495216 YFOREHVJTPMHTM-YUMQZZPRSA-N 238.243 1.110 30 50 BDEA N#CCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253099952 VTODMRVSKVQITH-QJPTWQEYSA-N 208.305 1.525 30 50 BDEA C[C@@H]1CCCN([C@H](C)C/N=C(\N)NC2CC2)C1 253416434 BZBRWOUNGHKXGU-GHMZBOCLSA-N 238.379 1.174 30 50 BDEA CC1=C2C(=O)c3ccccc3[C@@H]2NC(=O)N1 4050674 HBUKOEJGNRDGLW-JTQLQIEISA-N 214.224 1.511 30 50 BDEA C[C@H](CO[C@H]1CCOC1)Nc1ccc(C#N)cn1 133832798 LQRMGYGLFUUKAM-PWSUYJOCSA-N 247.298 1.559 30 50 BDEA C#C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 95743497 NMCVJBKPWSSTOQ-GFCCVEGCSA-N 225.288 1.382 30 50 BDEA C=CCn1c(C)nnc1S[C@H](CC)CO 864234974 BGAAAXXKCKXEJJ-SECBINFHSA-N 227.333 1.636 30 50 BDEA CC1(C)OB(c2cnc(C3CC3)nc2)OC1(C)C 169747257 DVGWUOHIWJBHKY-UHFFFAOYSA-N 246.119 1.653 30 50 BDEA in-vitro CC(C)(C)[C@@](C)(O)C#CCN1CCOCC1 19595326 BSMJFAQZGXEFJC-ZDUSSCGKSA-N 225.332 1.119 30 50 BDEA CN(C)CCCOc1ccc(C#N)cc1 11951719 XYCJVOUBTBJYTL-UHFFFAOYSA-N 204.273 1.889 30 50 BDEA in-vitro C[C@]1(C(=O)O)CCN(c2cnccc2C#N)C1 135580997 BZTPTGZTYMOUTB-LBPRGKRZSA-N 231.255 1.254 30 50 BDEA CC1(C)OB(c2c[nH]c3ncnc-3c2)OC1(C)C 170006131 SHLRAQOAGBAHHO-UHFFFAOYSA-N 245.091 1.209 30 50 BDEA NC(N)=Nc1cc(Cl)ccc1Cl 39208751 RQLKFTFGNLIAFC-UHFFFAOYSA-N 204.060 1.898 30 50 BDEA CC1(C)CN(c2cncc(C#N)n2)[C@H]1C1CC1 333849839 NDMAXFFWSWODBQ-LBPRGKRZSA-N 228.299 1.973 30 50 BDEA C=CC[C@@]1(CO)CCCN(CC(C)(C)N)C1 91595741 NQSZQZQTGPTGQH-CYBMUJFWSA-N 226.364 1.374 30 50 BDEA NC(=S)NN=C/C=C/c1ccccc1 252463694 SHUQFXIRXYXNOZ-MCOJTXNVSA-N 205.286 1.519 30 50 BDEA CC1(C)OB(c2cnc3ccccn23)OC1(C)C 169983992 STTXSARKMPZOEZ-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA CC#CC(=O)NCC[C@H]1COc2ccccc2O1 801172275 RBLOAVOFOHPRTH-NSHDSACASA-N 245.278 1.356 30 50 BDEA CC1CC(C#N)(C(=O)N2CC(OC(F)F)C2)C1 399962274 FIQPOASIYUQYIV-UHFFFAOYSA-N 244.241 1.376 30 50 BDEA NC1=CC(=O)C[C@@H](c2ccc3c(c2)OCO3)C1 1088706245 IURMFSXJRUSZIP-VIFPVBQESA-N 231.251 1.704 30 50 BDEA C=CCNC(=S)NC(=O)CC(C)C 2998233 YEAZKCGFTDFRRW-UHFFFAOYSA-N 200.307 1.209 30 50 BDEA NC(N)=Nc1nc(-c2cccs2)cs1 22864683 ZZLREMZTYYFAEJ-UHFFFAOYSA-N 224.314 1.777 30 50 BDEA CC[C@H](CO)NC=C1C(=O)CC(C)(C)CC1=O 100319850 PHVBLGYXBKSDTI-SECBINFHSA-N 239.315 1.189 30 50 BDEA Cc1nnc(N[C@@H]2C[C@H]3CC[C@H]2O3)c(C#N)c1C 110680709 YIXXWHLGXLUMJZ-YUSALJHKSA-N 244.298 1.697 30 50 BDEA CC#CCNC(=O)N1CCC2(CCC2)C1 170591121 BJNBDUQEJNMWJA-UHFFFAOYSA-N 206.289 1.595 30 50 BDEA C[Si](C)(C)Cn1c(N)nc(C#N)c1C#N 170623221 QPELUDOVVIMVIM-UHFFFAOYSA-N 219.324 1.086 30 50 BDEA C[C@H](NC[C@@]1(O)CCOC1)c1cccc(C#N)c1 224758767 KXDRKLKTWZVCKH-FZMZJTMJSA-N 246.310 1.360 30 50 BDEA C=CCNC(=O)C[C@H]1Nc2ccccc2NC1=O 5015923 FWWXCEAHLOQJJW-LLVKDONJSA-N 245.282 1.112 30 50 BDEA N#Cc1ccc(N2CCC(NCCO)CC2)cc1 271430837 WIKZQBKRBCWXGY-UHFFFAOYSA-N 245.326 1.109 30 50 BDEA CNc1ccn(-c2cccc(F)c2C#N)n1 309956132 IKFMGWXTWUFPSL-UHFFFAOYSA-N 216.219 1.925 30 50 BDEA CCC(=O)O[C@]1(C#N)C[C@@H](C)N(C)C[C@H]1C 2497872 AOXVKLXGIXLVEW-FOGDFJRCSA-N 224.304 1.562 30 50 BDEA C#CC(C)(C)OC[C@@H](O)CN1CCC[C@H](C)C1 35052913 QBIWSPOTLCNNAA-STQMWFEESA-N 239.359 1.508 30 50 BDEA N#Cc1c(F)cccc1Cn1ccnc1 336096268 MEDDMRHPMKSGQQ-UHFFFAOYSA-N 201.204 1.942 30 50 BDEA N#Cc1c(N)ncc(Br)c1O 95836398 XBBNQKIWIDVTPX-UHFFFAOYSA-N 214.022 1.004 30 50 BDEA COc1ccc(C[C@@](C)(C#N)NC(C)=O)cc1 584879932 CCBULJFLNYEIGS-ZDUSSCGKSA-N 232.283 1.656 30 50 BDEA CC/N=C(\NCC)NC[C@@H]1CCC(C)(C)O1 186023843 XQWVDTUFQWOUHN-JTQLQIEISA-N 227.352 1.519 30 50 BDEA C[C@]1(CCCO)CCCN1c1cnc(C#N)cn1 274732978 MCSPHMSVQKIRHI-CYBMUJFWSA-N 246.314 1.480 30 50 BDEA C#CC[C@@H](C)N1C(=O)[C@@H]2CCCCN2C1=O 225558683 BMHNKBSKAYZMFZ-ZJUUUORDSA-N 220.272 1.215 30 50 BDEA N#CCCN1C(=O)COc2ccc(Cl)cc21 5019262 WLSJNBIUCRGWQJ-UHFFFAOYSA-N 236.658 1.979 30 50 BDEA Nc1ccc(/C=C\C(=O)c2ccc[n+]([O-])c2)cc1 4531839 JNFAZYWKKWXYRG-YVMONPNESA-N 240.262 1.798 30 50 BDEA C=CCNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6731132 HAMXQRSEDGZKRF-KATARQTJSA-N 223.272 1.036 30 50 BDEA Cc1cc(C)cc(CO/N=C(/N)CCO)c1 136064362 ZKMMYQLQYMCMTP-UHFFFAOYSA-N 222.288 1.475 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@@H]4[C@H]3C[C@H]2[C@H]14 253388940 JWHDYBQMUQNNIA-XVIZQPCSSA-N 206.245 1.569 30 50 BDEA CC(C)CC(=O)OCC1=CC(=O)C=CC1=O 85880522 JVMUMZYOAWLJQW-UHFFFAOYSA-N 222.240 1.210 30 50 BDEA in-vitro N#C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CCO1 122058787 KUTPHCLXLCRQCO-LLVKDONJSA-N 234.299 1.174 30 50 BDEA CC1(C)CNC(=O)[C@H]1NCc1cccc(C#N)c1 585117332 YQVNTVZXWMLABT-GFCCVEGCSA-N 243.310 1.172 30 50 BDEA CNCC#CCOc1cc(C)cc(C)c1 16623893 AILFRTDPJZGYPK-UHFFFAOYSA-N 203.285 1.905 30 50 BDEA C#CCN1CCC[C@H](OCC(F)F)C1 1857786723 SIRFLXMVYQNQRX-VIFPVBQESA-N 203.232 1.366 30 50 BDEA CCCN(CC#Cc1ccccc1)C[C@H](O)CO 55369064 ZUZVZXQVHDATEA-HNNXBMFYSA-N 247.338 1.103 30 50 BDEA N=C(N)NN=Cc1c(Cl)cccc1Cl 242701441 WDZVGELJXXEGPV-UHFFFAOYSA-N 231.086 1.810 30 50 BDEA world N#Cc1nccc(N2CCCc3n[nH]cc3C2)n1 952893822 KKZFJTUTQWELIP-UHFFFAOYSA-N 240.270 1.024 30 50 BDEA C=C(C(=O)OC)[C@H](O)c1ccc(F)c(OC)c1 950757444 DQOTWQDPTIRPCB-NSHDSACASA-N 240.230 1.597 30 50 BDEA CC1(C)OB(c2cccc(C=O)c2)OC1(C)C 169748009 IFYMOLFMYIDYEN-UHFFFAOYSA-N 232.088 1.798 30 50 BDEA in-vitro Cc1ccccc1N/C(=N\O)c1nonc1N 18020561 WIABMWXAGPALNQ-UHFFFAOYSA-N 233.231 1.208 30 50 BDEA C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)CCS 235502 UHIOKYGCFGNNCU-YUMQZZPRSA-N 231.317 1.161 30 50 BDEA biogenic,in-vitro N#Cc1ncccc1N1CCC[C@H](F)C1 336580267 PSWBVOFKDWNEIR-VIFPVBQESA-N 205.236 1.892 30 50 BDEA COC(=O)CCC(=O)Nc1ccc(C#N)cc1 125252 YDYONKMINMVIMJ-UHFFFAOYSA-N 232.239 1.450 30 50 BDEA CCOC(=O)c1c(N)c(C#N)n2c1CCC2 235480 XUBUAGXQMBWLFY-UHFFFAOYSA-N 219.244 1.065 30 50 BDEA CC(C)NC=C1C(=O)CC(C)(C)CC1=O 100319637 WNMKHSAFEHAWRD-UHFFFAOYSA-N 209.289 1.827 30 50 BDEA CCO/C=C(/C(=O)OCC)C(=O)C(F)F 36533710 KDVPGBVZKTVEIS-AATRIKPKSA-N 222.187 1.304 30 50 BDEA COCCn1ccnc1CN1CCC(C#N)CC1 215738094 MCORBOSFWWIJHU-UHFFFAOYSA-N 248.330 1.265 30 50 BDEA C=C[C@@H]1CCN(C(=O)CC(C)(C)CO)C1 1857704746 DPSYIYJIUSFHRG-SNVBAGLBSA-N 211.305 1.430 30 50 BDEA C#CCN(CC=C)S(=O)(=O)c1ccc(C)cc1 4101046 QITLNHICIUWDTD-UHFFFAOYSA-N 249.335 1.805 30 50 BDEA C=C(C)CN(CC)C1CCN(C(C)=O)CC1 277176 VXAIIDXEZOCZHU-UHFFFAOYSA-N 224.348 1.895 30 50 BDEA CCCCCCCC(=O)NCC(=O)O 3075376 SAVLIIGUQOSOEP-UHFFFAOYSA-N 201.266 1.548 30 50 BDEA endogenous,in-man C=C/C(O)=N/[C@@H]1CCCN(c2cnn(C)c2)C1 328600378 XPEDSAMZVDYXKE-SNVBAGLBSA-N 234.303 1.531 30 50 BDEA CC(=O)OC(C)(C)C#CCN1CCCCC1 296486 FAZZDNXLFBPICL-UHFFFAOYSA-N 223.316 1.817 30 50 BDEA Cc1noc(C/N=C(/O)c2cnc(C)s2)n1 330611888 WGVVUYURJFBEHW-UHFFFAOYSA-N 238.272 1.648 30 50 BDEA N#Cc1ccnc(N2CCCN3CCC[C@H]3C2)c1 250253906 RMWLURFRWPSNDG-ZDUSSCGKSA-N 242.326 1.628 30 50 BDEA C=C[C@](C)(O)CC(=O)Nc1cccnc1 279129327 BMONHKMVHUDCOY-NSHDSACASA-N 206.245 1.347 30 50 BDEA C=CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 2983240 UQAUADSVKMZIPF-UHFFFAOYSA-N 220.228 1.440 30 50 BDEA CCOC(=O)CC#CCNC(=O)OC(C)(C)C 170641668 TVFGRVVZCJZELG-UHFFFAOYSA-N 241.287 1.468 30 50 BDEA in-vitro CN(c1cnc(C#N)cn1)[C@H]1CC1(C)C 302861416 PUXBUYHRHHTGKU-VIFPVBQESA-N 202.261 1.583 30 50 BDEA N#CC1(F)CCN(c2ccc(C(=O)O)cn2)CC1 1615046070 UHCYPEVPZIGYDB-UHFFFAOYSA-N 249.245 1.612 30 50 BDEA C=CCc1ccccc1O[C@@H](C)/C(N)=N/O 16662116 CNQKDEDTDGWIIM-VIFPVBQESA-N 220.272 1.929 30 50 BDEA CC#CC(=O)NCCOc1ccc2c(c1)CCC2 1116937192 OXYPLZYDAYAKQB-UHFFFAOYSA-N 243.306 1.694 30 50 BDEA C=CC(=O)N1CCC(C#N)(c2ccccn2)CC1 328598820 OPGWFDJAYOBCEZ-UHFFFAOYSA-N 241.294 1.651 30 50 BDEA C[C@@H](C/N=C(\N)NC1CC1)N1CCC[C@@H](C)C1 253416435 BZBRWOUNGHKXGU-MNOVXSKESA-N 238.379 1.174 30 50 BDEA CC1(C#N)CN(C(=O)CC2CC(F)(F)C2)C1 336258900 VFDIZJFLWYXFPQ-UHFFFAOYSA-N 228.242 1.794 30 50 BDEA CC1(C)OB(C2=CC3(COC3)OC2)OC1(C)C 1875389778 BLZJVZQUUGADJA-UHFFFAOYSA-N 238.092 1.343 30 50 BDEA CC#CC(=O)N[C@@H](C#N)Cc1ccccc1 1875252589 NCROFSMLCPKSRS-GFCCVEGCSA-N 212.252 1.261 30 50 BDEA CO[C@@H]1C[C@@H](COc2cccnc2)N(CC#N)C1 1775957451 VNXPXIQBQKITTN-WCQYABFASA-N 247.298 1.073 30 50 BDEA CCS(=O)(=O)Cc1ccccc1C#N 58239201 PZXFFZPZUJWNHY-UHFFFAOYSA-N 209.270 1.493 30 50 BDEA in-vitro FC(F)(F)c1ccc(B2OCCCO2)cc1 195848414 LXWREANRGBTZEQ-UHFFFAOYSA-N 229.994 1.838 30 50 BDEA COc1ccc(/C=N/n2cn[nH]c2=S)cc1 256494 ASQBCLWCJLOOEY-WUXMJOGZSA-N 234.284 1.831 30 50 BDEA Cc1cc(N)cc(B2OC(C)(C)C(C)(C)O2)c1 203813692 RCNTYSJFQLDZAI-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA N#CCC(=O)NCCc1c[nH]c2ccccc12 555291 JKKUAODPKMDWHF-UHFFFAOYSA-N 227.267 1.740 30 50 BDEA N#CCn1ccc(=O)c2cc(F)ccc21 36047733 SYLNARRQZOCFQK-UHFFFAOYSA-N 202.188 1.664 30 50 BDEA Cc1nc(N2CC[C@@H]3CNC[C@@H]3C2)ccc1C#N 261561917 GFMJPFCJBXLWCL-CHWSQXEVSA-N 242.326 1.307 30 50 BDEA CCOC(=O)c1sc(C#N)c2c1OCCO2 211846330 PRGLYIIBPLLZLF-UHFFFAOYSA-N 239.252 1.568 30 50 BDEA C=CC(C)(C)C(=O)N1CC(O)(C(F)F)C1 335489208 YPMXAWHFPQZAAJ-UHFFFAOYSA-N 219.231 1.037 30 50 BDEA C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CF)C1 335619331 SPBXZLPGVWZCOT-JTQLQIEISA-N 229.295 1.786 30 50 BDEA COC(=O)/C(=N/O)c1c[nH]c2ccccc12 84400881 GTPFAXDSMSVVGQ-JLHYYAGUSA-N 218.212 1.519 30 50 BDEA in-vitro CC1=NN=C(O)/C1=N\Nc1ccccc1C#N 96316627 ITVMNXQNOZPYQE-UHFFFAOYSA-N 227.227 1.672 30 50 BDEA C#CC(=O)N(C)[C@@H](C)c1ccccc1F 692929854 HRSRLJPIHPUTGJ-VIFPVBQESA-N 205.232 1.978 30 50 BDEA N#CCN1C2=NCCCN2c2ccccc21 16578925 CYNCYJFMRXCGGR-UHFFFAOYSA-N 212.256 1.596 30 50 BDEA COc1ccc2c(c1)[C@@]1(CC2)O[C@@H]1C#N 306439771 HKRAIFDNGUIOIS-VXGBXAGGSA-N 201.225 1.759 30 50 BDEA C=C/C(O)=N/CCS(=O)(=O)c1cccs1 328600513 YCPGRJFJTGPWOS-UHFFFAOYSA-N 245.325 1.664 30 50 BDEA CC1(C)COB(c2ccc(C=O)cc2)OC1 169744998 JUHDMCQVJGHKFW-UHFFFAOYSA-N 218.061 1.267 30 50 BDEA in-vitro C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccncc1 281646022 YHMNJEDOFGADDO-QWHCGFSZSA-N 246.310 1.793 30 50 BDEA CO[C@H]1CN(C(=O)C(C)(C)C#N)CC[C@H]1C 187887881 ZYNNWAYHUMWKRF-ZJUUUORDSA-N 224.304 1.420 30 50 BDEA C[C@]1(F)CCN(C(=O)c2cc(C#N)c[nH]2)C1 335287942 IFNYKPSQLSYJII-NSHDSACASA-N 221.235 1.460 30 50 BDEA CC(=O)N/C(C)=C1\C(=O)C[C@H]2[C@@H]1C2(C)C 4023782 HBRUIULKBDKADW-ZQNLAVBFSA-N 207.273 1.642 30 50 BDEA biogenic C[C@@](O)(C#CCN1CCOCC1)c1ccccc1 19770597 UGNKWWUAQYFVEI-OAHLLOKOSA-N 245.322 1.230 30 50 BDEA C=C(C)CN1CCNC(=O)[C@H]1c1ccccc1 156298193 BMVMTDWJTXATKH-CYBMUJFWSA-N 230.311 1.736 30 50 BDEA C/C(Nc1ccccc1)=C1/C(=O)COC1=O 100319871 FXGHUCIILCIJKC-DHZHZOJOSA-N 217.224 1.498 30 50 BDEA CNC(=O)O/N=C(\N)c1ccc(Cl)cc1 22342518 HDZVITWTNPHFFA-UHFFFAOYSA-N 227.651 1.316 30 50 BDEA N#Cc1cc(C(=O)O)cc(Br)c1O 263623081 DMDUIGDLZNFMDI-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA N#C[C@]1(NCc2ccccc2)CCOC1 70971280 JMPCXIXBNHAQFR-GFCCVEGCSA-N 202.257 1.459 30 50 BDEA in-vitro [N-]=[N+]=Nc1ccc(C[C@H](N)C(=O)O)cc1 15721946 NEMHIKRLROONTL-QMMMGPOBSA-N 206.205 1.583 30 50 BDEA in-vitro CC1(C)COB(c2ccc(O)cc2)OC1 169807759 WZIZQBZPLKRDMX-UHFFFAOYSA-N 206.050 1.160 30 50 BDEA Cc1ccc(-n2ccc(N)c(C#N)c2=O)cc1 190479 VPGDWVMWBTZKCG-UHFFFAOYSA-N 225.251 1.600 30 50 BDEA CCOC(=O)C[n+]1csc2ccccc21 2584244 XHHMVRDFRFEWKO-UHFFFAOYSA-N 222.289 1.752 30 50 BDEA O=C(O)CCCC(CCCC(=O)O)=NO 4828816 AFCXHQLHGPUFQW-UHFFFAOYSA-N 217.221 1.326 30 50 BDEA O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12 230117866 BNYIXTDUIJYRGD-SBKCTBCJSA-N 212.248 1.545 30 50 BDEA CC(C)(C)OC(=O)N1CCS[C@@H](C#N)C1 66054939 MTGBWJCVLSVUQM-QMMMGPOBSA-N 228.317 1.862 30 50 BDEA in-vitro COc1ccc(B2O[C@@H](C)CC(C)(C)O2)cc1 169807891 LXPXXDGLEYPUQK-JTQLQIEISA-N 234.104 1.994 30 50 BDEA in-vitro NC(=S)N/N=C1\Cc2cccc3cccc1c23 15133828 QAETZHRJCLMRLK-RVDMUPIBSA-N 241.319 1.933 30 50 BDEA C=C(NC(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1 186288 AVRXZPGGJMSNNQ-UHFFFAOYSA-N 234.211 1.427 30 50 BDEA C=CCN(CC=C)C(=S)NCCOC 2766457 SPQHXXMKSVHASC-UHFFFAOYSA-N 214.334 1.181 30 50 BDEA N#CCNC(=O)C1(c2ccccc2F)CC1 134737868 JKPZITZGFPAGQJ-UHFFFAOYSA-N 218.231 1.497 30 50 BDEA N#Cc1c(-c2cccnc2)nc(=S)[nH]c1O 5052444 OFEUSEIZEIOSCH-UHFFFAOYSA-N 230.252 1.778 30 50 BDEA CCOC(=C\N(C)C)/C=C(/C(C)=O)C(=O)OC 32650286 QKTNVUTVQOIHSO-ACBQZUGDSA-N 241.287 1.114 30 50 BDEA N#Cc1c(N)nc2c(c1C1CC1)C[C@@H](N)CC2 71751216 BEKOTGNHGCWUBK-QMMMGPOBSA-N 228.299 1.229 30 50 BDEA CN(C)CCOc1ccc(F)c(C#N)c1 252487720 IAOIPUQMHXAEQX-UHFFFAOYSA-N 208.236 1.638 30 50 BDEA CC(C[C@]1(O)C(=O)Nc2ccccc21)=NO 254882982 FMSUHJDSPXJLBK-LLVKDONJSA-N 220.228 1.067 30 50 BDEA Cc1cccc([N+](=O)[O-])c1C(=O)/N=C/N(C)C 252483634 FGEYDXGEROGTBW-KPKJPENVSA-N 235.243 1.633 30 50 BDEA C=C1CON(C(=O)c2cc(O)nc(C3CC3)n2)C1 1875295613 LFFGSAGWTNYONC-UHFFFAOYSA-N 247.254 1.003 30 50 BDEA N#Cc1nccnc1N[C@@H]1CCc2[nH]ncc2C1 301299003 UCIFJCBPVRFANY-SECBINFHSA-N 240.270 1.041 30 50 BDEA COc1ccc(OCC#CCn2ccnc2)cc1 13153407 UQONXKHRELZPFT-UHFFFAOYSA-N 242.278 1.974 30 50 BDEA COc1ccc(B2OCC(C)(C)CO2)cc1C#N 169794706 QUVUKSZMOVYLGN-UHFFFAOYSA-N 245.087 1.335 30 50 BDEA N#CC1CN(C(=O)c2ccc3ncccc3c2)C1 590485017 AZTYNLHOEYBSIZ-UHFFFAOYSA-N 237.262 1.830 30 50 BDEA C=CCNC(=O)[C@H]1COc2ccccc2O1 1669376 PNMWAHCSBXANLU-LLVKDONJSA-N 219.240 1.129 30 50 BDEA COC[C@@H]1C[C@H](OC)CN1c1ccc(C#N)cn1 284667913 YKQPZXNJNJWXEB-RYUDHWBXSA-N 247.298 1.193 30 50 BDEA CC[C@H](CC#N)NCc1ccnn1CC 160646140 QUSFTMLBBMPUGK-SNVBAGLBSA-N 206.293 1.685 30 50 BDEA C#CCSC(N)=NN=Cc1cccs1 245239796 DNNKWAODTMFUIB-UHFFFAOYSA-N 223.326 1.763 30 50 BDEA N#Cc1cccn(-c2ccc(N)cc2)c1=O 675050747 SAMANBMPTAMPKR-UHFFFAOYSA-N 211.224 1.291 30 50 BDEA C#CCn1c(CCNC(C)=O)nc2ccccc21 4385667 AHTHSMBUSCWCTK-UHFFFAOYSA-N 241.294 1.348 30 50 BDEA C[C@@](C#N)(Cc1ccccc1)NC(N)=O 6268503 OXNUEFUYPRBBBQ-NSHDSACASA-N 203.245 1.180 30 50 BDEA C=CCN1CCN(C(=O)c2ccc(C)cc2)CC1 55562747 ZIXDQOXONXHMTF-UHFFFAOYSA-N 244.338 1.939 30 50 BDEA CCOC(=O)/C(O)=C/C(=O)c1ccccc1 95483605 IFDFIQINWRDIHT-FLIBITNWSA-N 220.224 1.874 30 50 BDEA CC1(C)OB(c2cnn(C(F)F)c2)OC1(C)C 169746705 SACVSUQLLHEZLY-UHFFFAOYSA-N 244.050 1.577 30 50 BDEA in-vitro CC1(C)OB(c2ncccc2F)OC1(C)C 169858380 AWVXCKXEBKQHMB-UHFFFAOYSA-N 223.056 1.520 30 50 BDEA c1ccc(C/N=C2/NC[C@@H](C3CC3)N2)cc1 1775998259 UFJKNVGDDNATIG-LBPRGKRZSA-N 215.300 1.514 30 50 BDEA C=CCNC(=O)C(=O)Nc1ccccc1OCC 2966096 QHFPPGOWZAMZQT-UHFFFAOYSA-N 248.282 1.326 30 50 BDEA N#CCC(=O)NC[C@H]1OCCc2ccccc21 107625 JTYJZVCQVJQMQY-GFCCVEGCSA-N 230.267 1.330 30 50 BDEA C=CCNC(=O)COc1ccc(OC)cc1 2824540 YIXSTXMHTXHMCI-UHFFFAOYSA-N 221.256 1.376 30 50 BDEA N[C@@H](CCCC/N=C\c1ccccc1)C(=O)O 100428709 COOFECBQXGJZTA-GQVHDAKQSA-N 234.299 1.688 30 50 BDEA CN(CC#N)Cc1nc2cc(F)ccc2o1 150871520 QVDRADNDKSFJLI-UHFFFAOYSA-N 219.219 1.922 30 50 BDEA CC(C)(C#N)CNc1cc(C#N)ccn1 380284697 ZSFVABYBWVQDMD-UHFFFAOYSA-N 200.245 1.915 30 50 BDEA C[C@]1(CNc2cccc(C#N)n2)CCCO1 87254213 JMGJRSWPASUDSO-GFCCVEGCSA-N 217.272 1.934 30 50 BDEA COCC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 282999616 YSPGBKPOPXICNI-UHFFFAOYSA-N 247.298 1.433 30 50 BDEA N#CCCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281603508 GLFQWUGGPRBNLY-CHWSQXEVSA-N 234.274 1.847 30 50 BDEA C#CCN(C)C[C@@H](O)c1ccccc1F 192232974 ARDYHHZBORWSPO-GFCCVEGCSA-N 207.248 1.424 30 50 BDEA C=CCN(C)C(=O)c1ccc(CN)nc1C1CC1 328592354 YKYJKPCTCWJJMV-UHFFFAOYSA-N 245.326 1.676 30 50 BDEA Cc1noc(C)c1CCn1cnc(C#N)c1C#N 329838505 VSMBLBARYCVJKI-UHFFFAOYSA-N 241.254 1.474 30 50 BDEA COc1cnccc1B1OC(C)(C)C(C)(C)O1 170162727 HLRJDJZOIOTKSF-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA CC#CC(=O)N(C)Cc1cn(C)nc1C(C)C 1875363280 UMEHLSLEXYQXBD-UHFFFAOYSA-N 233.315 1.525 30 50 BDEA COc1cc(N)cc(Br)c1C#N 1772715684 OXDCEFJUFCPGRG-UHFFFAOYSA-N 227.061 1.912 30 50 BDEA Fc1cc(OC[C@@H]2CO2)cnc1Cl 1857777712 UKOMQRQFDIJTRM-ZCFIWIBFSA-N 203.600 1.652 30 50 BDEA C#CCNc1nc(Cl)nc(Cl)n1 139300666 POANETFFBMOZGF-UHFFFAOYSA-N 203.032 1.224 30 50 BDEA in-vitro C/C(NCc1ccccc1)=C1\C(=O)CSC1=O 100319930 ABQHUIFVDAPUTD-XFXZXTDPSA-N 247.319 1.893 30 50 BDEA C#C[Si](C)(C)c1ccc([Si](C)(C)C#C)cc1 196511722 QEBBZORCIZDBAX-UHFFFAOYSA-N 242.470 1.862 30 50 BDEA CC#CC(=O)NC1C(C)(C)C(OC)C1(C)C 1875380716 XIKPUOQRGFXOQY-UHFFFAOYSA-N 223.316 1.576 30 50 BDEA NOCc1ccc[n+](CC(=O)c2ccccc2)c1 5735251 UGQGUIMYXFQZLQ-UHFFFAOYSA-N 243.286 1.247 30 50 BDEA C=CCC(O)(CC=C)[C@@H](N)CCSC 2484866 IASBFWGOKYWONK-JTQLQIEISA-N 215.362 1.950 30 50 BDEA in-vitro CCC1=[N+]([O-])[C@@](C)(/C(C)=N/O)N(O)C1(C)C 100599206 MKTOJAMEAODMOC-UEUZTHOGSA-N 229.280 1.397 30 50 BDEA CSc1nc(N)nc2sc(C#N)c(N)c12 4625231 AEVBFGNLGOFJJM-UHFFFAOYSA-N 237.313 1.449 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@@](N)(C#N)C1 84193658 IKNNCAWTKRMFSG-LLVKDONJSA-N 225.292 1.238 30 50 BDEA CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CCCO1 191217233 BAICEOAQZDVLTN-ZDUSSCGKSA-N 233.315 1.508 30 50 BDEA C=CCCCn1c(=O)ccn(C2CC2)c1=O 952993518 YTEDSBPVYSGTDH-UHFFFAOYSA-N 220.272 1.311 30 50 BDEA CC1(C)OB(c2cnc(N)cc2F)OC1(C)C 202722331 VRAOZHCCDMWQFX-UHFFFAOYSA-N 238.071 1.102 30 50 BDEA Cn1cnc(/C=C/c2ccncc2C#N)c1 585818740 VFOKMEWBZXSHSM-NSCUHMNNSA-N 210.240 1.857 30 50 BDEA CO[C@@H]1CCc2c(sc(N)c2C#N)C1 238329643 QHJAFTPWGIVJEJ-ZCFIWIBFSA-N 208.286 1.706 30 50 BDEA in-vitro C=C(C)C(=O)OC[C@@H]1COC(C)(C)O1 5158235 JPFPDGRVRGETED-MRVPVSSYSA-N 200.234 1.257 30 50 BDEA C#C[C@@](C)(CC)OC[C@H](O)CN1CCCC1 12421408 HPMKZAIQFDBENL-OLZOCXBDSA-N 225.332 1.262 30 50 BDEA Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1 5419492 JPYAJXKPGDZAIN-UHFFFAOYSA-N 243.270 1.137 30 50 BDEA FC(F)(F)[C@@H]1CN/C(=N/Cc2ccccc2)N1 1775994039 QMHPJHXASUHDAY-VIFPVBQESA-N 243.232 1.666 30 50 BDEA CCCCCCCSc1nnc(O)[nH]c1=O 2474325 QGAQOPDECLOEMG-UHFFFAOYSA-N 243.332 1.933 30 50 BDEA C=CCNC(=S)NC(=O)c1ccccc1F 2815135 LLWDQCIZNRCDIS-UHFFFAOYSA-N 238.287 1.616 30 50 BDEA COc1cc(N)ccc1B1OC(C)(C)C(C)(C)O1 170003274 ZYFRJTZQMFNEHS-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA CC(C)N/C(N)=N/C[C@H]1CCCSC1 262297007 JFGVRUGHCYYIBB-SECBINFHSA-N 215.366 1.442 30 50 BDEA CC#CC(=O)N[C@H]1CCCN(c2ccccc2)C1 240465876 GBBKZVQONOJLKC-ZDUSSCGKSA-N 242.322 1.795 30 50 BDEA COC1CCN(c2snc(C)c2C#N)CC1 286102328 LFCSUCJVZMRNCH-UHFFFAOYSA-N 237.328 1.938 30 50 BDEA C[C@H](CC(=O)O)/N=C(\O)OCc1ccccc1 82067976 HYWJKPFAIAWVHP-SECBINFHSA-N 237.255 1.980 30 50 BDEA CC(=NO)[C@H]1C(=O)N(C)c2ccccc21 257357444 OBTVLNWLFNLIHE-SNVBAGLBSA-N 204.229 1.597 30 50 BDEA O=C([C@H]1CO1)N1COCC[C@@H]1c1ccccc1 1875373035 SCHKTNQSKUWMBJ-VXGBXAGGSA-N 233.267 1.333 30 50 BDEA O=C([C@@H]1CO1)N1CC=C(c2ccccc2)CC1 1875373225 WLXSZTCMKAXJDC-ZDUSSCGKSA-N 229.279 1.701 30 50 BDEA C#CCN[C@@H](C(C)C)[C@@H](O)c1ccccc1 390306568 DUPPCYAIRPLLJL-KBPBESRZSA-N 217.312 1.967 30 50 BDEA C#CCN(C)[C@H](C)c1nc(C(C)C)no1 170611974 PSSVWHKNXLYILV-SECBINFHSA-N 207.277 1.819 30 50 BDEA C=CCNS(=O)(=O)c1ccc(C)cc1 1678308 SQMCYQSCMCMEIL-UHFFFAOYSA-N 211.286 1.459 30 50 BDEA in-vitro CCOC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C#N 238850488 BWPBQANDYJXWEZ-IVZWLZJFSA-N 208.261 1.767 30 50 BDEA in-vitro CC(C)(C)OC(=O)NC1(C#N)CCOCC1 145081305 GFMHNORFBIULNJ-UHFFFAOYSA-N 226.276 1.584 30 50 BDEA in-vitro COc1cc(C#N)ccc1OC1CCNCC1 12359872 IYJWLXVYDNCWEN-UHFFFAOYSA-N 232.283 1.698 30 50 BDEA CCn1ccc(B2OC(C)(C)C(C)(C)O2)n1 201543181 RPKQFWMLGWLVIU-UHFFFAOYSA-N 222.097 1.202 30 50 BDEA C=CC[C@@]1(CO)CCCN(c2ccnc(C)n2)C1 91872604 JSUOVAQZKHMTMS-CQSZACIVSA-N 247.342 1.940 30 50 BDEA C=CCN1C(=O)NC2(CCCCC2)C1=O 162768 ZNZNICRHPGQPCX-UHFFFAOYSA-N 208.261 1.427 30 50 BDEA CCOC(=O)[C@@H](C)[C@@](C)(C#N)C(=O)OCC 1695182 GBHOITGWOMPVEV-LDYMZIIASA-N 227.260 1.279 30 50 BDEA CCn1c(N)[n+](CC(C)=O)c2ccccc21 3121435 IHRHPTWCZICKSW-UHFFFAOYSA-O 218.280 1.120 30 50 BDEA CC#CCNc1cccc(-n2nnnc2C)c1 182301899 VVCSOORTTIUCKH-UHFFFAOYSA-N 227.271 1.406 30 50 BDEA C[C@H]1CCC(=O)C[C@@H]1N(CC#N)CC#N 725362343 TWVJTYIBENUCHC-ONGXEEELSA-N 205.261 1.093 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1ccc(CN(C)C)o1 952881641 MGXIOWNGZHLODJ-JTQLQIEISA-N 249.314 1.763 30 50 BDEA COc1cc(CC#N)c([N+](=O)[O-])cc1OC 161933 PKDJSFDIQCAPSY-UHFFFAOYSA-N 222.200 1.678 30 50 BDEA in-vitro CCCCCCC[C@@]1(C)NC(=O)NC1=O 3310974 YKUGAPPICXMOIM-LLVKDONJSA-N 212.293 1.945 30 50 BDEA in-vitro N#CC1(C#N)[C@@H](C(N)=O)[C@@H]1c1ccccc1Cl 50376 DQUVJZLMWOELLT-VHSXEESVSA-N 245.669 1.572 30 50 BDEA COC(=O)C(=O)/C=C/c1ccc(OC)cc1 1603125 PYDDGUYDXOJSJA-VMPITWQZSA-N 220.224 1.451 30 50 BDEA NC1=C(O)C(=O)[C@@H](c2ccc(F)cc2)O1 101684164 AEZZUTLGJQLKGU-SECBINFHSA-N 209.176 1.152 30 50 BDEA CO/N=C/[C@@H](C#N)[C@@H]1OC(=O)c2ccccc21 5248310 WYFRJKLUFWTNAF-VYPVARJXSA-N 230.223 1.670 30 50 BDEA C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1C(N)=O 284528103 FYBKFPWWVORNRE-LDYMZIIASA-N 247.273 1.255 30 50 BDEA N#CCCCn1cc[n+](CCCC#N)c1 44583710 PJGSRNRRFJTJNK-UHFFFAOYSA-N 203.269 1.383 30 50 BDEA COc1cccc([C@@H]2C[C@H](O)CN2CCC#N)c1 253623523 YDHHYLLYJLTCPY-JSGCOSHPSA-N 246.310 1.717 30 50 BDEA N#Cc1cc(O)c(C(=O)O)cc1Br 263623628 JEDKMJWMMJUMBO-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C=CCN(CC(=O)O)Cc1cc2n(n1)CCCC2 846263295 UCBMCFVYWYFQLZ-UHFFFAOYSA-N 249.314 1.292 30 50 BDEA C=CCc1cc(OC)c(O)c(C(=O)OC)c1 2525475 LYSUGZLJKRSLHM-UHFFFAOYSA-N 222.240 1.916 30 50 BDEA CCCCCCCC(=O)OCCOCCO 101367966 NDYHDTGNPTWQMI-UHFFFAOYSA-N 232.320 1.899 30 50 BDEA C#CCOc1cc(OC)c(OC)c(OC)c1 4073082 OTQVXICYNQOPEB-UHFFFAOYSA-N 222.240 1.724 30 50 BDEA C=C1CN(C(=O)NC[C@@H]2CCO[C@H](C)C2)C1 1478309840 NDQLYNQFAFGNKP-GHMZBOCLSA-N 224.304 1.383 30 50 BDEA CN1C[C@H](C#N)[C@]2(O)c3ccccc3CC[C@@H]2C1 13151250 NLKVUWURUUEGKV-IPYPFGDCSA-N 242.322 1.522 30 50 BDEA biogenic,in-vitro CCOC(=O)[C@@]12C[C@@H]1/C(=N\O)c1ccccc1O2 13704065 FXCTZFMSAHZQTR-JABIWGIPSA-N 247.250 1.579 30 50 BDEA in-vitro O=C1C=C/C(=N/Nc2ccccn2)C(O)=C1 4272044 VLCAILLZPUINNF-LCYFTJDESA-N 215.212 1.430 30 50 BDEA in-vitro N#C[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1ccccc1 1875365913 LZTNLUQMKVOYQF-DGCLKSJQSA-N 242.278 1.737 30 50 BDEA CO[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 168680372 ABTNYOQSKKFHMF-SSDOTTSWSA-N 222.219 1.671 30 50 BDEA COc1nscc1B1OC(C)(C)C(C)(C)O1 711831346 DMBZPRGQYBOKMG-UHFFFAOYSA-N 241.121 1.451 30 50 BDEA CC(=O)O/N=C1\Sc2ccccc2C1=O 303281 LHGWAWQMKZPWEA-KHPPLWFESA-N 221.237 1.852 30 50 BDEA C=C1CN(C(=O)NCC[C@H]2CCO[C@H](C)C2)C1 1671590957 FNSGUECYBPHJDK-NEPJUHHUSA-N 238.331 1.773 30 50 BDEA Cc1cc(C)n(C(=S)SCC#N)n1 306511984 OMTFYPHYESIDFH-UHFFFAOYSA-N 211.315 1.890 30 50 BDEA Cn1nncc1/C(O)=N/CC1(C2CC2)CCC1 328673101 OVLYNAMKWPMMTD-UHFFFAOYSA-N 234.303 1.700 30 50 BDEA COc1cccc(-c2cn(CCC#N)nn2)n1 952849803 RQVSBGOJULOJOF-UHFFFAOYSA-N 229.243 1.262 30 50 BDEA CCc1c2ccc(C)n2cc[n+]1CC(C)=O 1923858 YZBOTJVBIYERKB-UHFFFAOYSA-N 217.292 1.687 30 50 BDEA N#C[C@]1(C(=O)NCC(F)F)CC12CCCC2 334751950 ZUHAGXHKFYXLAD-NSHDSACASA-N 228.242 1.842 30 50 BDEA CC1(C)OB(c2cncs2)OC1(C)C 169809956 ODYWLZYOVWNCGN-UHFFFAOYSA-N 211.095 1.442 30 50 BDEA in-vitro N#Cc1ccc(I)cn1 30677683 JMFSIRGELWNSRE-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA in-vitro Cc1ccccc1OCC#CCN1CCOCC1 16624285 VDDVNLZHQIDDSI-UHFFFAOYSA-N 245.322 1.709 30 50 BDEA CC#CC(=O)NC[C@]1(C)OCCc2ccccc21 921833189 FWNOOAYBDMYKNE-HNNXBMFYSA-N 243.306 1.614 30 50 BDEA N#Cc1cccc(C2(NC(=O)[C@H]3CO3)CC2)c1 1875373021 RYJITMNUAKHUCR-LLVKDONJSA-N 228.251 1.062 30 50 BDEA CC(C)N(CCC(N)=O)Cc1ccc(C#N)cc1 58397238 PMAARSGYWDEDMB-UHFFFAOYSA-N 245.326 1.644 30 50 BDEA CC[C@@]1(O)CCN(c2cc(C#N)ccn2)C1 588023472 FSTLXLUMYSVAEN-GFCCVEGCSA-N 217.272 1.304 30 50 BDEA Cc1c(/N=C/c2ccc(F)cc2)c(=O)n(C)n1C 100271341 BMLCBINFBHHCDY-OVCLIPMQSA-N 247.273 1.922 30 50 BDEA C[C@@H]1C[C@H](C=O)N(C(=O)OC(C)(C)C)C1 117510309 HAYNQPVPECFGBT-RKDXNWHRSA-N 213.277 1.831 30 50 BDEA CC(C)[C@@]1(CO)CCN(c2ccnc(C#N)c2)C1 377974524 DENOSZSDMGQLQZ-AWEZNQCLSA-N 245.326 1.798 30 50 BDEA C=CCn1cnc2cccc(F)c2c1=O 335855472 WTPBKZZXZBSGNQ-UHFFFAOYSA-N 204.204 1.722 30 50 BDEA CC(=O)NC1CCN(c2ncccc2C#N)CC1 40457234 VNMOPYDCRCHUID-UHFFFAOYSA-N 244.298 1.058 30 50 BDEA C[C@H]1CN([C@H](C#N)c2cccc(O)c2)CCO1 245391993 VZVQHRHGAJVVOP-GXFFZTMASA-N 232.283 1.678 30 50 BDEA C[C@@]1(c2ccccc2)OC(C(=O)O)=CC1=O 10 DFDGRKNOFOJBAJ-LBPRGKRZSA-N 218.208 1.470 30 50 BDEA in-man O=C(/C=N/O)Nc1ccccc1Br 4219191 KRUQMJREXXFSBT-BJMVGYQFSA-N 243.060 1.848 30 50 BDEA in-vitro C[C@@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@@H]2C)[C@]31C#N 230013045 CWFULRGXCRZMDM-QWGROXHOSA-N 244.254 1.197 30 50 BDEA N#Cc1cc(Br)c(O)cc1C(=O)O 263625223 XVEVWHWCDCHDRK-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C#CCOc1ccc(CNC(=O)C=C)cc1 1120553506 BZWMDULOZMWMOE-UHFFFAOYSA-N 215.252 1.501 30 50 BDEA C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C#CC1CC1 924029187 WPGDUTDAGKPFMD-XEZLXBQYSA-N 217.312 1.808 30 50 BDEA O=C1N/C(=N\O)S/C1=C/c1cccnc1 8643007 GHVRBCSTTHRDKE-QPJJXVBHSA-N 221.241 1.031 30 50 BDEA Cn1cc(CN2CCC=C(F)C2)cc1C#N 276783970 RFXCHEANOHLXIR-UHFFFAOYSA-N 219.263 1.956 30 50 BDEA C#C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 95743162 BAMZOOMIXOXMGB-ZDUSSCGKSA-N 239.315 1.772 30 50 BDEA in-vitro NC(=S)N/N=C1\CCC[C@H](C(F)(F)F)C1 5426108 SOAURHMELIEDKY-LQUGBXFWSA-N 239.266 1.928 30 50 BDEA COC(=O)c1cc2ccc(OC[C@@H]3CO3)cc2o1 1875378506 FDCFQVRKRMKASV-SNVBAGLBSA-N 248.234 1.997 30 50 BDEA N#Cc1ccc(N2CCC[C@H](F)C2)cn1 336025335 HVEUQLUNSKMLCZ-VIFPVBQESA-N 205.236 1.892 30 50 BDEA C=CCC[C@H](O)CN1CC[C@H]2CCN(C)C[C@@H]21 328586880 XTHKWFARLYXNLP-RDBSUJKOSA-N 238.375 1.340 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@](O)(CS)C1 76691941 YKOOSBVOKAYLHK-LLVKDONJSA-N 247.360 1.678 30 50 BDEA N#Cc1cnc(F)c(Br)c1 95917745 WYTNBOARIOJDOC-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA CN(Cc1ccc(C#N)cc1)c1cnccn1 301116753 YCFGDKAWHDWYMO-UHFFFAOYSA-N 224.267 1.985 30 50 BDEA C/N=C(/O)c1ccc(C(=O)N(C)C)nc1C 330604295 LIOWCTDMXNSXDV-UHFFFAOYSA-N 221.260 1.026 30 50 BDEA CCOC(=O)c1cnn2ccc(C#N)cc12 259828092 RAKVPCHAUOFSAM-UHFFFAOYSA-N 215.212 1.383 30 50 BDEA COc1ccc(C(=O)/C=C/N(C)C)cc1 126223 FXNAUCNJLHEGGF-CMDGGOBGSA-N 205.257 1.953 30 50 BDEA in-vitro Cn1cc[n+](CC(=O)c2ccccc2)c1 13940766 YDOLSEINKBVALM-UHFFFAOYSA-N 201.249 1.196 30 50 BDEA C=CCN1C(=O)[C@H](C(=O)O)C(=O)c2ccccc21 361279 VNDRVBCBOASWAE-SNVBAGLBSA-N 245.234 1.103 30 50 BDEA biogenic N#CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 2874846 NEPGVUJJTNJLJK-UHFFFAOYSA-N 239.618 1.502 30 50 BDEA C#C[C@H](NC(=O)N[C@H]1CC[C@@H](OC)C1)C(C)C 252537518 LMPGQDAQCZCJOQ-TUAOUCFPSA-N 238.331 1.511 30 50 BDEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C#CC 283736212 GETGREYDYCPUSF-JQWIXIFHSA-N 207.273 1.107 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)NCc2cc[nH]n2)C1 612137788 VNEWCDSSCSPRLB-LBPRGKRZSA-N 247.302 1.245 30 50 BDEA CN(CCC#N)[C@H]1CC(=O)CCC1(C)C 725361314 MUHUQXNKVZZJJG-NSHDSACASA-N 208.305 1.980 30 50 BDEA CS(=O)(=O)[C@@H](C#N)C(=O)C1CCCCC1 721137033 XAHWFHBMNVSYIC-VIFPVBQESA-N 229.301 1.073 30 50 BDEA N#CCCNC(=O)CN1CC[C@H]2CCCC[C@H]2C1 241173092 KFZRSLLTURWYME-OLZOCXBDSA-N 249.358 1.528 30 50 BDEA CC#CC(=O)NCC(F)(F)C1(OC)CCC1 1875370260 IESDPAOFOQACMH-UHFFFAOYSA-N 231.242 1.330 30 50 BDEA CO[C@@](C)(CNC(=O)[C@H]1CO1)c1ccccc1 1875372223 AGDGTHQHMZVTQR-YPMHNXCESA-N 235.283 1.063 30 50 BDEA N#Cc1ccc(OC2CCNCC2)cc1 8699542 DRIREFRFHFBPIN-UHFFFAOYSA-N 202.257 1.689 30 50 BDEA in-vitro C#C[C@H](NC(=O)N[C@@H]1CC[C@@H](OC)C1)C(C)C 252537519 LMPGQDAQCZCJOQ-UTUOFQBUSA-N 238.331 1.511 30 50 BDEA CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C=O 238142392 JKBBQSCJTCYVRT-QMMMGPOBSA-N 213.277 1.831 30 50 BDEA CC#CC(=O)NCC1(OCC)CCCC1 294251891 SPZOKQMDQLNMSC-UHFFFAOYSA-N 209.289 1.475 30 50 BDEA Cc1ncncc1C(=O)NC1(C#N)CCCC1 298785894 XLQKIGHBABDAPG-UHFFFAOYSA-N 230.271 1.351 30 50 BDEA C#C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 38313367 DPZQSYOKTUMHNY-VIFPVBQESA-N 225.288 1.992 30 50 BDEA in-vitro N#Cc1cccnc1NCc1cccnc1 18244319 JKRJFBGOHOQISX-UHFFFAOYSA-N 210.240 1.960 30 50 BDEA CC1(C)OB(c2cc(C#N)ccc2N)OC1(C)C 205775648 VRJYXVCVZGMIGS-UHFFFAOYSA-N 244.103 1.440 30 50 BDEA C/N=C(/NC1CCC1)N1CCC[C@@H](C)C1 225464332 LWCMJPOJJGHTMZ-SNVBAGLBSA-N 209.337 1.846 30 50 BDEA N#CCc1cc(C(F)(F)F)cnc1O 238702352 PPKGDYICWMPXGY-UHFFFAOYSA-N 202.135 1.872 30 50 BDEA C[C@H]1[C@H]2C[C@@H](CC2=NNC(N)=S)C1(C)C 252320614 FFVDDDDYYODYEL-BIIVOSGPSA-N 225.361 1.878 30 50 BDEA C#CCN/C(=N/C)N1C[C@@H](C)C[C@H](C)C1 113982289 NWQYZNYQSURQKN-QWRGUYRKSA-N 207.321 1.173 30 50 BDEA COC(=O)c1cccc2[nH]cc(C#N)c12 15022247 NMPYJMZQCATEKY-UHFFFAOYSA-N 200.197 1.826 30 50 BDEA CS(=O)(=O)Nc1ccc(C#N)cc1F 34842463 KULWFZPVQBHQEN-UHFFFAOYSA-N 214.221 1.069 30 50 BDEA in-vitro CC#CC(=O)NCCc1cn2c(C)cccc2n1 844129184 KETYLRYLMHNBBE-UHFFFAOYSA-N 241.294 1.325 30 50 BDEA O=C(C[n+]1ccncc1)c1ccc(Cl)cc1 1593398 SPEWBSXQGSAQBT-UHFFFAOYSA-N 233.678 1.905 30 50 BDEA CC(=O)O[C@H](C)C#CCN1CCCCC1 4996577 UTWPKXDCAABFKE-LLVKDONJSA-N 209.289 1.427 30 50 BDEA CC(=O)Nc1cccc2c1C[C@H]1O[C@@H]1C2 100993165 LNLYKHUYGFIZOO-VXGBXAGGSA-N 203.241 1.511 30 50 BDEA CCCc1occc1/C(O)=N/[C@H]1CNC(=O)C1 330372014 AAGBQTFDRMHCAA-MRVPVSSYSA-N 236.271 1.425 30 50 BDEA Cc1c(Br)c[nH]c(=O)c1C#N 31776923 REOPINQMTRITRR-UHFFFAOYSA-N 213.034 1.318 30 50 BDEA N#CCC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 335159687 QSJWIKAEKDJHQV-PWSUYJOCSA-N 218.231 1.654 30 50 BDEA CCN1CCCC[C@H]1C/N=C(/O)c1cncnc1 330879410 XXFYNFNKLUIMOZ-LBPRGKRZSA-N 248.330 1.656 30 50 BDEA COC(=O)CC[C@H](C=O)NC(=O)OC(C)(C)C 238348132 GCHJBJYYCKLFMY-MRVPVSSYSA-N 245.275 1.032 30 50 BDEA COCCn1cc(-c2cnn([C@H](C)C#N)c2)cn1 600794407 UGFNRZPFZMUUHC-SNVBAGLBSA-N 245.286 1.478 30 50 BDEA Cc1cccc(C)c1NC(=O)NCC#CCO 585119705 QOOQBMOJDLGKJE-UHFFFAOYSA-N 232.283 1.421 30 50 BDEA C=CCc1cccc(/C=N/n2cnnc2)c1O 229105 ILFORBNGCZVANP-VIZOYTHASA-N 228.255 1.594 30 50 BDEA O=C1CS/C(=N/C(=O)c2ccccc2)N1 12407083 RGNSLKVDXRETCU-UHFFFAOYSA-N 220.253 1.046 30 50 BDEA O/N=C(\C[n+]1ccccc1)c1ccccn1 6557508 UHRGHONDKJEYSJ-WYMLVPIESA-O 214.248 1.248 30 50 BDEA CCOC(=O)C[n+]1cccc2cc(OC)ccc21 2565904 HEYSKURSHFYAMR-UHFFFAOYSA-N 246.286 1.699 30 50 BDEA in-vitro Cc1cccc(C)c1N/C(=N/O)c1nonc1N 3970597 IZSWJWUMNMHCLW-UHFFFAOYSA-N 247.258 1.517 30 50 BDEA C[C@H]1C(=O)C(=O)/C(=C\c2ccccc2)C1=O 102590686 AWJGHANOYPSHTD-FBHKUJJOSA-N 214.220 1.427 30 50 BDEA CC1(C)CN(c2cccc(C#N)c2)C1=O 1387656 JBEMABAJEAKDHN-UHFFFAOYSA-N 200.241 1.931 30 50 BDEA Cc1nc(N2CC[C@H]3CNC[C@@H]3C2)ccc1C#N 261561919 GFMJPFCJBXLWCL-QWHCGFSZSA-N 242.326 1.307 30 50 BDEA C#CCNC(=O)c1ccc(N(C)C)cc1 41634855 RCBGMAHHSMQSCN-UHFFFAOYSA-N 202.257 1.116 30 50 BDEA C#CC1(F)CN(C(=O)[C@H]2CSCCS2)C1 881942048 NLZGSGYAFIQISR-MRVPVSSYSA-N 245.344 1.019 30 50 BDEA C[C@@](Cc1ccccc1)(NCCC#N)C(=O)O 1857796605 XJIHVGQDSCEZTL-ZDUSSCGKSA-N 232.283 1.576 30 50 BDEA C=C[C@@H]1OCC[C@H]1/N=C(/O)c1cnn(CCC)c1 331330463 OKKLVLYCLYSPBZ-NEPJUHHUSA-N 249.314 1.941 30 50 BDEA ON=Cc1ccc(N2CCOCC2)cc1 254316468 COWCZKTVODJKQZ-UHFFFAOYSA-N 206.245 1.331 30 50 BDEA O/N=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 253393462 SVFZGSIUSSQSRE-XSSFPKEVSA-N 204.229 1.035 30 50 BDEA Cc1ccc(C(=O)N(C)C)cc1OC[C@H]1CO1 1875379201 OFACNPZFHUYHKE-LLVKDONJSA-N 235.283 1.474 30 50 BDEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C)C2)N=N1 952883402 WVQRPIBVCUQQHE-LLVKDONJSA-N 248.330 1.162 30 50 BDEA CC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccc(F)cc1 183886 DHDQZULBRGSUDP-LLVKDONJSA-N 249.241 1.740 30 50 BDEA CC1(C)C[C@]1(C#N)NC(=O)C1CC(F)(F)C1 335200724 OCEJGVYMYRMUST-SNVBAGLBSA-N 228.242 1.840 30 50 BDEA COC[C@]1(CNc2cc(C#N)ccn2)CCCN1 261585611 TXVIWVMMQMHUIP-CYBMUJFWSA-N 246.314 1.134 30 50 BDEA CCCCCCCN1C[C@@H](O)C[C@@H]1C(=O)O 85911855 QWMDYNIEGNYUSY-WDEREUQCSA-N 229.320 1.477 30 50 BDEA CC(C)C[C@@H](N)B1OC(C)(C)C(C)(C)O1 196827016 DGBIXWGLQXUYLP-SECBINFHSA-N 213.130 1.991 30 50 BDEA CS/C(N=C(N)N)=N\c1ccccc1 96026615 AESTWMIHRDTXIL-UHFFFAOYSA-N 208.290 1.311 30 50 BDEA CCc1cccc2c1CCN(C(=O)[C@H]1CO1)C2 1875372500 HEGRGOBCGFDJIT-CYBMUJFWSA-N 231.295 1.533 30 50 BDEA Cc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CO2)C1 1875372306 CMBNAPNWQMVMTE-AAEUAGOBSA-N 231.295 1.710 30 50 BDEA CC#CC(=O)N[C@H](C1CC1)[C@H]1CCCOC1 885478894 MJKAKEREHDXZTK-WCQYABFASA-N 221.300 1.331 30 50 BDEA C=CCc1ccccc1OC[C@H](O)CNC 795267 DTFPUFZXVSZQHE-GFCCVEGCSA-N 221.300 1.374 30 50 BDEA in-vitro Cc1cc(B2OC(C)(C)C(C)(C)O2)[nH]n1 169991132 YJFDJTNGFPHWAM-UHFFFAOYSA-N 208.070 1.017 30 50 BDEA C=CCn1cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cn1 1857703353 JELGWJPHNGHNAM-WDNDVIMCSA-N 247.342 1.272 30 50 BDEA C[C@H]1CN(c2cc(C#N)ncn2)C[C@H](C2CC2)O1 328595662 ZXOYYNXLFAWRDD-JOYOIKCWSA-N 244.298 1.352 30 50 BDEA CC(C)(C)CC(=O)O/N=C(\N)c1ccncc1 4351545 DEGKGIDRYHGADR-UHFFFAOYSA-N 235.287 1.681 30 50 BDEA CC(C)c1ncc2c(n1)CC[C@@H](C=O)C2 238172536 MPDKAQDJBPBXBU-SECBINFHSA-N 204.273 1.904 30 50 BDEA C#CCOC(=O)N[C@@H](C)Cc1c(C)noc1C 583651715 RQYFAKKZIARDHS-QMMMGPOBSA-N 236.271 1.582 30 50 BDEA CN1CCCN(c2ccc(C#N)cc2)CC1 12370637 LWRMQRYMWJWCLS-UHFFFAOYSA-N 215.300 1.700 30 50 BDEA in-vitro CN/C(S)=N/N=C\c1ccc([N+](=O)[O-])cc1 15900558 SVOLUGVHMCTSGL-WDZFZDKYSA-N 238.272 1.434 30 50 BDEA COc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 169935359 XJYPQEILMRMOEN-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA C#CCOc1cc(C=O)c(OCC#C)cc1C=O 642881301 LXIGMDZIEMIPTI-UHFFFAOYSA-N 242.230 1.336 30 50 BDEA N#Cc1cc(=NCc2ccc3ncccc3c2)[nH][nH]1 2325815765 CSBBHPOCEUECPF-UHFFFAOYSA-N 249.277 1.864 30 50 BDEA C=CCn1nnc(NC(=O)c2ccccc2)n1 10010687 RGMYZQKIDBHPJU-UHFFFAOYSA-N 229.243 1.111 30 50 BDEA C[C@@H]1C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1 113154728 HAYNQPVPECFGBT-BDAKNGLRSA-N 213.277 1.831 30 50 BDEA Cc1[nH]c(CN(C)C[C@@H]2CCCN2C)cc1C#N 584893683 YZBWVCRIZDJYNP-AWEZNQCLSA-N 246.358 1.721 30 50 BDEA Cc1ccc(S(=O)(=O)/C(C#N)=N/O)cc1C 1775971022 MMCCCSGNXYLLTA-ZRDIBKRKSA-N 238.268 1.388 30 50 BDEA COCCn1cc(-c2cnn([C@@H](C)C#N)c2)cn1 600794406 UGFNRZPFZMUUHC-JTQLQIEISA-N 245.286 1.478 30 50 BDEA C#CCN(C)C(=O)[C@H]1CCO[C@@H](CC)C1 191126203 QMMAXIGYDCJSQV-QWRGUYRKSA-N 209.289 1.283 30 50 BDEA C=CCOC(=O)N1CCC2(CCCNC2)CC1 498050506 HSAAWBQCRLQJLI-UHFFFAOYSA-N 238.331 1.775 30 50 BDEA C=CCS(=O)(=O)Nc1ccc(OC)cc1 270924 UIRASSGMCCKRGO-UHFFFAOYSA-N 227.285 1.623 30 50 BDEA CC#CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 125735523 CSGIDDJUUNDLLG-NWDGAFQWSA-N 243.372 1.345 30 50 BDEA COc1ccc(OC)c([C@@]2(C)O[C@@H]2C#N)c1 309495157 KSOMTNLFCACHNE-VXGBXAGGSA-N 219.240 1.841 30 50 BDEA C[C@H](C#N)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 700361128 XDJOLFSBHBPDNR-JGVFFNPUSA-N 242.275 1.514 30 50 BDEA CNc1ccc(/C=N/n2cnnc2)cc1[N+](=O)[O-] 4620938 MKBLMDFZWWVNIB-LHHJGKSTSA-N 246.230 1.110 30 50 BDEA N#CCC(=O)NCc1ccc(Cl)cc1 60965 UKKHUKFEKBKULS-UHFFFAOYSA-N 208.648 1.870 30 50 BDEA in-vitro COC(=O)[C@@H]1O[C@H]1c1cc(Cl)ccc1OC 1702962 UKUHRBVTJWEYBW-VHSXEESVSA-N 242.658 1.962 30 50 BDEA CCc1c2ccc(C)n2cc[n+]1CC(=O)OC 1821671 KGHAZRHDESPLMR-UHFFFAOYSA-N 233.291 1.271 30 50 BDEA NC(=O)[C@](F)(OC(F)(F)F)C(F)(F)F 4528481 RODHNODFUBONAV-REOHCLBHSA-N 229.051 1.236 30 50 BDEA C[C@@](O)(C#CCN1CCCC1)c1ccccc1 4996432 VYMPRLUAIDTTBH-OAHLLOKOSA-N 229.323 1.993 30 50 BDEA COCC/N=C(/O)NC[C@H]1CCO[C@@H]1C(C)C 328640127 XDZHXIHHANXABE-GHMZBOCLSA-N 244.335 1.198 30 50 BDEA CC1(C/N=C(/O)c2cnn3ccncc23)CC1 329262633 DIAMRAVQPJLQSU-UHFFFAOYSA-N 230.271 1.834 30 50 BDEA N#Cc1cnccc1N1CC[C@@H](n2cccn2)C1 365811791 FLMFERCWUIJIRM-GFCCVEGCSA-N 239.282 1.601 30 50 BDEA O=C1C=C[C@@H](NC(=O)OCc2ccccc2)C1 79792699 ZGDZYLKOHBZJJM-LLVKDONJSA-N 231.251 1.810 30 50 BDEA in-vitro C=CCN1CCN(C(=O)c2ccc(F)cc2)CC1 20160969 KYELYFVNZLRIPU-UHFFFAOYSA-N 248.301 1.770 30 50 BDEA CNC(=O)CSCc1ccc(F)c(C#N)c1 225634673 RUBSIRXAIKBHQP-UHFFFAOYSA-N 238.287 1.677 30 50 BDEA N#CC[C@H]1COCCN1Cc1ccccc1 16696995 WHWNIQPSJZCVPL-ZDUSSCGKSA-N 216.284 1.801 30 50 BDEA CC(C)[C@@](C)(CO)/N=C(/O)c1cccnc1 331200187 MXGNELKQOOQNMW-GFCCVEGCSA-N 222.288 1.793 30 50 BDEA N#Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1 81558752 GRCXGRRNWGRISR-UHFFFAOYSA-N 213.196 1.647 30 50 BDEA C=CCn1c([C@H](C)OC(C)C)n[nH]c1=O 65397293 RJLFNHFWICSNNL-QMMMGPOBSA-N 211.265 1.243 30 50 BDEA C=CCC[C@H](O)CN1C[C@H](C2CC2)O[C@H](C)C1 328588831 RFQHJDSIHSMIEA-KWCYVHTRSA-N 239.359 1.813 30 50 BDEA N#CCC(=O)NCCCc1ccccc1 2729658 WKWBOZPKWLHXMR-UHFFFAOYSA-N 202.257 1.649 30 50 BDEA N#Cc1cc(C(=O)O)c(Br)cc1O 263623835 LDERUMSGIXARDH-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CC#CC(=O)N(C)Cc1ncc(C2CC2)o1 1875363146 UZKZYDIOMYAIIK-UHFFFAOYSA-N 218.256 1.534 30 50 BDEA N#CCNC(=O)c1cc(-c2ccc(F)cc2)no1 1464720814 SFEPVBZKQNJJFD-UHFFFAOYSA-N 245.213 1.734 30 50 BDEA C[C@@H](O)[C@@H]1CCN(c2cccnc2C#N)C1 161854099 USNOHTGVWWHIJM-NXEZZACHSA-N 217.272 1.160 30 50 BDEA COC[C@@H]1C[C@@H](OC)CN1c1ccc(C#N)cn1 343797545 YKQPZXNJNJWXEB-NWDGAFQWSA-N 247.298 1.193 30 50 BDEA N=C(N)N/C(N)=N/c1ccc(C(F)(F)F)cc1 19795287 YBEYVQONJZSGFJ-UHFFFAOYSA-N 245.208 1.135 30 50 BDEA in-vitro C#CCCCOC(=O)c1cc(F)cc2nn[nH]c12 800263950 SCMXXDPNNORNBR-UHFFFAOYSA-N 247.229 1.667 30 50 BDEA C=C(C)CCO[P@@](=O)(O)OP(=O)(O)O 8215654 NUHSROFQTUXZQQ-UHFFFAOYSA-N 246.092 1.179 30 50 BDEA endogenous,in-man CCn1cc(/C=C/C(=O)c2cnn(C)c2)cn1 6490276 BDHBOEYYUYNICX-SNAWJCMRSA-N 230.271 1.533 30 50 BDEA C=CCOC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C 38202317 SDTMVIKHZLMJBS-BDAKNGLRSA-N 215.293 1.247 30 50 BDEA Cc1nsc(N2CC(=O)N(C3CC3)C2)c1C#N 288409357 LJDYGSSJDXRQNE-UHFFFAOYSA-N 248.311 1.092 30 50 BDEA C=CCOC(=O)[C@]1(C)[C@H]2[C@H]3C=C[C@@H](O3)[C@H]21 253390481 NCFQFXLHJKOXEF-OMHSBUABSA-N 206.241 1.305 30 50 BDEA biogenic COC1(CC=O)CN(C(=O)OC(C)(C)C)C1 258373635 YMBMBFLRXJOGGS-UHFFFAOYSA-N 229.276 1.211 30 50 BDEA Cc1cc2c(=NCC(C)(C)C#N)[nH]ccn2n1 614147973 RVRXETJCAJRLBT-UHFFFAOYSA-N 229.287 1.421 30 50 BDEA N#CCCCC(=O)N1CCC(c2cc[nH]n2)CC1 330887979 HOMSJLAGBYXXGE-UHFFFAOYSA-N 246.314 1.810 30 50 BDEA C#CC(C)(C)OC[C@H](O)CN1CCCC[C@H]1C 16577701 PPWHBFZZVWTMPM-CHWSQXEVSA-N 239.359 1.650 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1F 169748012 OEMBRPGPDHAQHU-UHFFFAOYSA-N 237.083 1.828 30 50 BDEA CCOC(=O)/N=C(/C(=O)OCC)C(F)(F)F 2548163 PWYYIAKBASUUEE-XGICHPGQSA-N 241.165 1.709 30 50 BDEA N#Cc1cc(F)ccc1N[C@@H]1C[C@H]1CO 308901179 GXCKYCXLNOUWTL-GZMMTYOYSA-N 206.220 1.490 30 50 BDEA CC(C)(C#CCN1CCCC1)OCCC#N 2931507 AQYNMCWNUZMEHX-UHFFFAOYSA-N 220.316 1.794 30 50 BDEA CN(CC=O)C(=O)OCc1ccccc1 112984812 ULSOLOBYKJRHGB-UHFFFAOYSA-N 207.229 1.454 30 50 BDEA CC1(C)CC(=O)C2=C(C1)O[C@H]1OC(=O)C[C@@]21C 4108624 QPOSCSLQBMCJNX-AAEUAGOBSA-N 236.267 1.939 30 50 BDEA C=CCNS(=O)(=O)c1ccc(C)cc1OC 36638845 SIZXMACGKNZOMC-UHFFFAOYSA-N 241.312 1.468 30 50 BDEA N#Cc1cc2n(n1)CCCN([C@@H]1CCSC1)C2 584893971 SVXWHYKWTSYKBH-LLVKDONJSA-N 248.355 1.466 30 50 BDEA CC[C@@H](CC#N)NC(=O)c1ccnc2[nH]ncc12 1775992438 SJUBNQPLOYGMEY-QMMMGPOBSA-N 243.270 1.380 30 50 BDEA CC(=O)/C(=N/Nc1ccccc1)N1CCOCC1 13111734 GHDJXVBWCCHMGU-SQFISAMPSA-N 247.298 1.333 30 50 BDEA COC(=O)[C@H]1C(=O)C=C(N2CCCC2)C[C@H]1C 5369327 LWAWNYQOTFYULG-BXKDBHETSA-N 237.299 1.364 30 50 BDEA C=C(C)CS(=O)(=O)N[C@@H]1CC[C@H](F)C1 335953133 VFFHBBHALCOZHC-DTWKUNHWSA-N 221.297 1.373 30 50 BDEA CC#CCNc1ccc(S(C)(=O)=O)cc1C 182306884 CQLQQWVWWAMFCK-UHFFFAOYSA-N 237.324 1.834 30 50 BDEA C[C@H](NCC(C)(C)C(N)=O)c1cccc(C#N)c1 183643284 KSDFGFWTCQKQNS-JTQLQIEISA-N 245.326 1.720 30 50 BDEA N#Cc1cc(F)ncc1Br 260549129 XOHQEYJHTALMSK-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA N#Cc1ccc(N2CCCc3n[nH]cc3C2)nc1 596001694 AGEKJQYDQLNHDE-UHFFFAOYSA-N 239.282 1.629 30 50 BDEA N#CCCN1C(=O)c2ccccc2C1=O 1606323 LOOWMCWVRNEZLZ-UHFFFAOYSA-N 200.197 1.196 30 50 BDEA in-vitro N#C[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 247713120 LGWJBMGGSJVWDB-WYUUTHIRSA-N 234.299 1.174 30 50 BDEA CC(C)[C@H](C#N)NC(=O)Cc1ccoc1 331061465 NXMXSJIINYLREH-JTQLQIEISA-N 206.245 1.486 30 50 BDEA C[C@@H]1C[C@]1(C#N)C(=O)Nc1cncc(F)c1 334813106 XKPWKGKUYNWBGY-RDDDGLTNSA-N 219.219 1.709 30 50 BDEA CC#CC(=O)N[C@H]1c2ccccc2CC[C@H]1CO 1875363267 QTGYLSBJSPALSU-SWLSCSKDSA-N 243.306 1.422 30 50 BDEA COc1ccc(Br)c(N)c1C#N 95642784 UHNXSVCUCBTPQT-UHFFFAOYSA-N 227.061 1.912 30 50 BDEA in-vitro N#Cc1ccc(N[C@H]2CCC[C@@H]2O)cn1 195575424 DITIACMFQFXZLJ-QWRGUYRKSA-N 203.245 1.279 30 50 BDEA CCn1cc(C(=O)/C=C\N(C)C)c(C)n1 12355824 XJIUOXZLQFETNG-SREVYHEPSA-N 207.277 1.469 30 50 BDEA CCOC(=O)c1sc(N)c(CC#N)c1C 404559 FWOMDYIEWMOTQY-UHFFFAOYSA-N 224.285 1.882 30 50 BDEA C#CCn1c([C@H](C)O)nc2ccccc21 1926768 AGAMGSQTBNVJMR-VIFPVBQESA-N 200.241 1.723 30 50 BDEA CN1CCC/C1=N/C(=S)CN1CCCC1=O 101116340 DNCZFMOGMRMAGQ-XFXZXTDPSA-N 239.344 1.060 30 50 BDEA Cc1nn(CC#N)c(=O)n1-c1ccc(Cl)cc1 4072932 GCJODHXJFLNYFK-UHFFFAOYSA-N 248.673 1.519 30 50 BDEA C[C@@H]1CN(CCOc2ccc(C#N)cc2)CCN1 40456367 OCUPCDKLRYXVMU-GFCCVEGCSA-N 245.326 1.231 30 50 BDEA Cc1nc(N(C)Cc2nccn2C)ccc1C#N 291550585 ASYIJMVKOQCVQK-UHFFFAOYSA-N 241.298 1.632 30 50 BDEA Cc1sc(Cl)nc1C(=O)NC1(C#N)CC1 253418197 MANQTDLKISYYBY-UHFFFAOYSA-N 241.703 1.891 30 50 BDEA Cc1[nH]c(CN(C)C[C@@H]2CCOC2)cc1C#N 584902078 KBTCYMVDLYSGCM-NSHDSACASA-N 233.315 1.663 30 50 BDEA COC(=O)[C@H](C#N)[C@H](C#N)c1ccccc1 393761 CCUQFUPPDNKKGG-GHMZBOCLSA-N 214.224 1.607 30 50 BDEA in-vitro CC1(C)OB([C@@]23CNCC[C@@H]2C3)OC1(C)C 1857780539 OTOHJSZLZNMDBT-SKDRFNHKSA-N 223.125 1.832 30 50 BDEA C[C@@H](C#N)C(=O)N1CC(F)(F)C(F)(F)C1 313285178 BTAKYGMFVOWWJY-YFKPBYRVSA-N 224.157 1.259 30 50 BDEA CN(CCN1CCCCC1)c1cccc(C#N)n1 593517946 VRALNLVZOBASKL-UHFFFAOYSA-N 244.342 1.875 30 50 BDEA CC1(C)CN(c2ccc(C#N)cc2)C1=O 153427 VFGGWQZAEJLDRF-UHFFFAOYSA-N 200.241 1.931 30 50 BDEA Cc1nccc(N=C(O)N(C)C2CC2)n1 330130069 OTIWABNGCXWZEH-UHFFFAOYSA-N 206.249 1.425 30 50 BDEA O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CO1 1875372486 GVTMBPQAHKMOMY-VXGBXAGGSA-N 235.258 1.718 30 50 BDEA N#CC1CCN(Cc2cncc(F)c2)CC1 231892095 RFKQFVSHCSEVDZ-UHFFFAOYSA-N 219.263 1.956 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@@H]1c1ccccc1 1875372784 MNPDUZZHIAMZLF-NEPJUHHUSA-N 217.268 1.749 30 50 BDEA CO[C@@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)c1 588012268 LAQZPYPTFAFKQJ-GXFFZTMASA-N 231.299 1.602 30 50 BDEA N#C[C@H]1CN(Cc2ccccc2)CCO1 34617026 NAWYNSSXFPEQKE-LBPRGKRZSA-N 202.257 1.411 30 50 BDEA in-vitro CC(=O)/C(=C\N(C)C)NC(=O)OC(C)(C)C 169090096 WMDKABRISURXBB-VQHVLOKHSA-N 228.292 1.503 30 50 BDEA N#Cc1ccc(N2CCC[C@@H](F)C2)nc1 334502998 DZCJLVKUTIHCSD-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA Cc1cccc(C(=O)N(CC#N)CC#N)c1 101301 GSPAQYYQWZCQHY-UHFFFAOYSA-N 213.240 1.484 30 50 BDEA C[C@@H]1CC(O)=CC(=O)[C@@H]1C(=O)OC(C)(C)C 4579097 MGWBUWIKFKKJKZ-GMSGAONNSA-N 226.272 1.995 30 50 BDEA C=C/C(O)=N/[C@@H]1CCC(O)=N[C@H]1c1ccnn1C 328596819 AJHKPEPVQWNMOD-PRHODGIISA-N 248.286 1.723 30 50 BDEA CC(=O)C/C(=N\NC(N)=S)c1ccccc1 5291032 JVYSFWCAYMIGGD-JLHYYAGUSA-N 235.312 1.203 30 50 BDEA O=C(On1ccccc1=O)c1ccccc1 43214874 FTKDZSINAWSLNQ-UHFFFAOYSA-N 215.208 1.117 30 50 BDEA Cc1nc(N(C)Cc2cnn(C)c2)ccc1C#N 291613689 JWVDSHMCBXWGPF-UHFFFAOYSA-N 241.298 1.632 30 50 BDEA N#CC1(NC(=O)c2ccc(F)cn2)CCC1 273061447 YVRPBUYTUAJDQT-UHFFFAOYSA-N 219.219 1.397 30 50 BDEA C#CCN(C)c1ccc([N+](=O)[O-])c(C)n1 170611220 LGZXMFIJQUMGFY-UHFFFAOYSA-N 205.217 1.368 30 50 BDEA CC[C@@H](CNCc1cccc(C#N)c1)C(=O)OC 585116623 CUMZQFNBIQVYAY-ZDUSSCGKSA-N 246.310 1.847 30 50 BDEA C#CCOc1ccc(C=O)c(OCC#C)c1 5479781 DFBKJSQOZZINRS-UHFFFAOYSA-N 214.220 1.523 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccccc1C(=O)O 5943318 GTFWOGLHKZOEPA-NTUHNPAUSA-N 244.254 1.475 30 50 BDEA CC#CC(=O)N[C@H](CCN(C)C)c1cccnc1 928831223 MOHYNRZFVIZMMH-CYBMUJFWSA-N 245.326 1.214 30 50 BDEA Cc1ccc(NC(=O)C/C(N)=N/O)cc1C 4811012 DVWPGUAFIFGDTN-UHFFFAOYSA-N 221.260 1.378 30 50 BDEA COC(=O)[C@@H]1O[C@H]1c1ccc(C#N)cc1 12336844 BGZXIMFTXAMVRB-VHSXEESVSA-N 203.197 1.171 30 50 BDEA C=CC[C@]1(C(=O)O)CCCN(CCOC)C1 92064848 FPKOUCRJCOMEEB-LBPRGKRZSA-N 227.304 1.376 30 50 BDEA N#Cc1c(O)cc(Br)cc1C(=O)O 263624357 PRJYZDIFXRPCRL-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA C=C(C(=O)OC)[C@@H](O)c1ccc(F)c(OC)c1 950757443 DQOTWQDPTIRPCB-LLVKDONJSA-N 240.230 1.597 30 50 BDEA C=CCNC(=S)NCc1ccccc1OC 13519452 IESZALNZPJLTHI-UHFFFAOYSA-N 236.340 1.845 30 50 BDEA CN1CCC(CNc2ccc(C#N)nc2)CC1 129217411 KHTHSSFMAGYCMW-UHFFFAOYSA-N 230.315 1.707 30 50 BDEA CC(C)(CNC(=O)[C@H]1CO1)CC1CCOCC1 1875373395 ZUGLIASQSXJBAT-LLVKDONJSA-N 241.331 1.344 30 50 BDEA CN(C[C@H]1CCCOC1)c1c(C#N)cnn1C 585098429 SIFJXFHPHUDIDY-SNVBAGLBSA-N 234.303 1.155 30 50 BDEA N#Cc1ccc(N[C@H]2CCCC[C@@H]2O)cn1 131900775 FFZLGSBCSOGCJZ-RYUDHWBXSA-N 217.272 1.669 30 50 BDEA C=CCN1CCN(C/C(C)=C/C)CCC1=O 14984678 XROSGCGDJZLDTF-LFYBBSHMSA-N 222.332 1.673 30 50 BDEA COC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(C)=O 1464975 LYUBYLJQOZIBQB-XFFZJAGNSA-N 249.222 1.740 30 50 BDEA in-vitro CN1CCN(c2ccc(C#N)cc2)CC1 236863 ZSDPKKGOSKXEHN-UHFFFAOYSA-N 201.273 1.310 30 50 BDEA Cn1c(SCC#N)nc2ccccc2c1=O 2179069 KKZOJRVRICGRJA-UHFFFAOYSA-N 231.280 1.549 30 50 BDEA C=CCn1c(SCC(N)=O)nnc1C(C)C 6698814 USVKHBWWKDFDMJ-UHFFFAOYSA-N 240.332 1.165 30 50 BDEA O=C1Nc2ccccc2N/C1=C/C(=O)C(F)F 104312237 CFPTWTXEGPCMOD-VMPITWQZSA-N 238.193 1.769 30 50 BDEA CCN(c1ccccc1C#N)S(C)(=O)=O 216703075 TWKKEMVIOPCQFR-UHFFFAOYSA-N 224.285 1.344 30 50 BDEA COC(=O)c1ccc([N+](=O)[O-])cc1C#N 34217009 HMVDETRIOVTGTG-UHFFFAOYSA-N 206.157 1.253 30 50 BDEA Cc1ccnc(N2C[C@H](F)[C@H](F)C2)c1C#N 294992499 NEQSERHYVGTEBN-AOOOYVTPSA-N 223.226 1.758 30 50 BDEA C[C@]1(c2ccc3c(c2)OCCO3)O[C@@H]1C#N 390238503 MHDHSZPYGUTIAC-VXGBXAGGSA-N 217.224 1.595 30 50 BDEA c1cc2c(c(OC[C@H]3CO3)c1)OCCCO2 1875378963 LNLNLSMEVSCQTE-SECBINFHSA-N 222.240 1.626 30 50 BDEA CC#CC(=O)N[C@H](C)CCc1cccn1C 277601597 HABWGOWTACCMRM-LLVKDONJSA-N 218.300 1.486 30 50 BDEA CC(C)(C)OC(=O)N1CC[C@@](C#N)(C(=O)O)C1 238105339 HCNPLTDBJWRSOX-NSHDSACASA-N 240.259 1.222 30 50 BDEA in-vitro N#C[C@H]([C@H]1CC=CCC1)N1CCOCC1 20413676 CQZNTLAXGNDCHI-NWDGAFQWSA-N 206.289 1.567 30 50 BDEA C[C@@H](C#N)CNC(=O)[C@@H]1CCC(F)(F)C1 308608631 WWVSLVXXHYYWEA-JGVFFNPUSA-N 216.231 1.698 30 50 BDEA C=CCN(C)C(=O)N[C@@H]1CC[C@@H](F)C1 336149095 UAEWTZYSWHDPIG-RKDXNWHRSA-N 200.257 1.704 30 50 BDEA C#CCSCCNC(=O)N[C@H](C#C)C(C)C 225591960 NJRCQXXEKQSUIJ-LLVKDONJSA-N 238.356 1.310 30 50 BDEA N#Cc1cncc(-c2cncc(C#N)c2)c1 65337593 GCEILXUQPYERQJ-UHFFFAOYSA-N 206.208 1.887 30 50 BDEA in-vitro O=C(NCc1cc(-c2ccccc2)no1)[C@H]1CO1 1875372712 LENRAISUVBTLNN-GFCCVEGCSA-N 244.250 1.357 30 50 BDEA Cc1nc(C#N)n(CC(=O)C(C)(C)C)c1C 585118724 ZQXMBPMHRFAKMG-UHFFFAOYSA-N 219.288 1.987 30 50 BDEA C#C[C@@H](C)N(C)Cc1c[nH]c(C(=O)OC)c1 225587540 LZVCNCCJUSDDGQ-SECBINFHSA-N 220.272 1.255 30 50 BDEA N#Cc1ccc(=NCC[C@@H]2CCCCO2)[nH]c1N 563427607 QKQXTJSQOZWLJO-NSHDSACASA-N 246.314 1.328 30 50 BDEA CC1(C)C/C(=N/NC(N)=S)c2ccoc2C1 13618658 KPQFUEPHIACHQS-JYRVWZFOSA-N 237.328 1.789 30 50 BDEA N#Cc1cc([N+](=O)[O-])cc(Br)c1N 3878826 MUHLVSZIVTURCZ-UHFFFAOYSA-N 242.032 1.811 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)CO2 15020408 ULSBMKGFFFMGOI-UHFFFAOYSA-N 213.277 1.786 30 50 BDEA in-vitro N#Cc1nc(-c2ccccc2)oc1NCCO 2050024890 GPCMEYDCGCYMTH-UHFFFAOYSA-N 229.239 1.617 30 50 BDEA CCOC(=O)c1cnc2c(C#N)cnn2c1C 77146 ZAGMWHIPZBPEAT-UHFFFAOYSA-N 230.227 1.086 30 50 BDEA COc1ccc(-n2ncc(C#N)c2N)cc1 3883869 AIQYZOPCGVEHML-UHFFFAOYSA-N 214.228 1.335 30 50 BDEA N#Cc1ccccc1NC(=O)CN1CCCC1 4833664 DUHIFPMLWGPFDM-UHFFFAOYSA-N 229.283 1.593 30 50 BDEA COC[C@@](C)(C#N)/N=C(/O)c1cc[nH]c1 331215031 NPSAESFBKJENAK-SNVBAGLBSA-N 207.233 1.248 30 50 BDEA O=C(OCc1ccccc1)N1CC[C@@H]2O[C@H]2C1 100055963 PHSSLYCBJRMEEV-RYUDHWBXSA-N 233.267 1.796 30 50 BDEA in-vitro COC1(CC(=O)N=c2cc[nH]cc2C#N)CCC1 332435275 ALDGPIASRSIEFQ-UHFFFAOYSA-N 245.282 1.273 30 50 BDEA N#CCCn1c(=O)n(CCC#N)c2ccccc21 2227600 TWNNMRWUJWLCKS-UHFFFAOYSA-N 240.266 1.630 30 50 BDEA C#CCS/C(N)=N\N=C\c1ccc(F)cc1 4666869 QVFFXHHDTZNEEE-RIYZIHGNSA-N 235.287 1.841 30 50 BDEA C[C@H]1CCN(C(=O)CC#N)CC1(F)F 335685086 WKLFABUPJSBQDZ-ZETCQYMHSA-N 202.204 1.404 30 50 BDEA N#Cc1cnn2cc(Br)cc(O)c12 606301535 IFUVDUFAFVWZOT-UHFFFAOYSA-N 238.044 1.674 30 50 BDEA C=C1CC(C)(C(=O)N[C@@H](C)c2nn(C)cc2O)C1 1646316793 HEFFYUGYSOHLTN-VIFPVBQESA-N 249.314 1.659 30 50 BDEA C[C@H](O)C#C[C@@]1(O)[C@@H](C)CCCC1(C)C 17164507 MJQWBMRBYSWPQD-GMXVVIOVSA-N 210.317 1.948 30 50 BDEA Cn1cnc2cc(OC[C@H]3CO3)ccc21 1857779594 MDWUTDLZOGUFPB-VIFPVBQESA-N 204.229 1.351 30 50 BDEA N#CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 121171903 SDPDIXBGJAMAHU-JOYOIKCWSA-N 238.237 1.596 30 50 BDEA C=CCc1cc(C(=O)N2CCOCC2)ccc1O 313243 VLDKCHGAOMSGRW-UHFFFAOYSA-N 247.294 1.593 30 50 BDEA COc1ccc(-c2noc(CC#N)n2)cc1OC 22155246 HJOSXXBRQQMSFR-UHFFFAOYSA-N 245.238 1.820 30 50 BDEA Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1N 170007111 IGGADZIGHKLFFG-UHFFFAOYSA-N 233.120 1.876 30 50 BDEA Cc1cnn(-c2ccc([N+](=O)[O-])cc2C#N)c1 20426987 JWLIAYAJCXIUSV-UHFFFAOYSA-N 228.211 1.961 30 50 BDEA CC[C@H](CC(F)(F)F)/N=C(/O)c1cnn[nH]1 330869739 PXYXZRXNJNEPOM-RXMQYKEDSA-N 236.197 1.840 30 50 BDEA ON=Cc1cccn1-c1ccc(O)cc1 254849974 ZTHLWPXVJSBWCM-UHFFFAOYSA-N 202.213 1.991 30 50 BDEA CC#CCOc1cc(C(N)=S)ccn1 263624345 PNEZOYNIAPLKDI-UHFFFAOYSA-N 206.270 1.118 30 50 BDEA CCOC(=O)/C(=N\O)c1ccc(F)cc1 146222618 QFGMGFFOLIGKBW-XFXZXTDPSA-N 211.192 1.567 30 50 BDEA CCC#CCN1CCCN(C(=O)C2CC2)CC1 670470043 XSZGRSCWGSPSGR-UHFFFAOYSA-N 234.343 1.344 30 50 BDEA C[C@@H]1CN(C(=O)[C@H]2CO2)[C@H](c2ccccc2)CO1 1875372428 FXVHKMKKDMTKDH-KGYLQXTDSA-N 247.294 1.374 30 50 BDEA O=C(C#CC1CC1)N1CCOC2(CCCCC2)C1 408520099 DWAUEAMNYMGZPN-UHFFFAOYSA-N 247.338 1.962 30 50 BDEA C#C[C@H](NC(=O)C1(O)CCCC1)c1ccccc1 843967237 KHKKUUOFBLDKSP-ZDUSSCGKSA-N 243.306 1.782 30 50 BDEA C[C@@H]1CCC[C@H]1Nc1nccc(C#N)n1 231901429 RCPDNYBHQRUPPH-PSASIEDQSA-N 202.261 1.949 30 50 BDEA COc1c(C#N)c(C#N)c(OC)c(OC)c1OC 209296 LKAKIQDPSYBWIB-UHFFFAOYSA-N 248.238 1.464 30 50 BDEA C=CCNC(=S)NC(=O)/C=C/c1ccccc1 2913408 ZUXIOIZCLUVSDX-CMDGGOBGSA-N 246.335 1.877 30 50 BDEA CCN(CC#CCCO)c1ccccc1 5794289 AZUNLSJHNLXJME-UHFFFAOYSA-N 203.285 1.899 30 50 BDEA Cc1cc(C)c(S(=O)(=O)ON(C)C)c(C)c1 43214901 RFNQKGZAPPCXGS-UHFFFAOYSA-N 243.328 1.794 30 50 BDEA C=C/C(O)=N/C1CCC2(CC1)OCCO2 328594427 IYLHQDWTTBPHOX-UHFFFAOYSA-N 211.261 1.815 30 50 BDEA C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 38530109 RFAQWADNTLIWMG-RDDDGLTNSA-N 227.260 1.540 30 50 BDEA in-vitro C#CCOC1CN(C(=O)OC(C)(C)C)C1 601013382 OBUSYPFHNRORID-UHFFFAOYSA-N 211.261 1.256 30 50 BDEA CN(C)C1CN(C(=O)CC2(C#N)CCCCC2)C1 597453785 GKRSLQPWXNHCRB-UHFFFAOYSA-N 249.358 1.623 30 50 BDEA COc1cccc([C@H]2C[C@H](O)CN2CCC#N)c1 225729912 YDHHYLLYJLTCPY-GXTWGEPZSA-N 246.310 1.717 30 50 BDEA C#CCN(C)CC(=O)NCc1ccccc1C 192235070 NCDUFGCNWQMSQA-UHFFFAOYSA-N 230.311 1.176 30 50 BDEA C=CCCCn1c(=O)cc(Cl)n(C)c1=O 1615053478 WHXHDMMHXPFMSI-UHFFFAOYSA-N 228.679 1.167 30 50 BDEA C=C1C[C@H]1CN=c1ccnc(NC[C@@H]2CC2=C)[nH]1 2325784318 SUMSOFGTAFHSGI-RYUDHWBXSA-N 242.326 1.875 30 50 BDEA C=C(C)COc1ccccc1CN[C@@H](C)C(N)=O 55284037 KVGILFPOCQXQNT-NSHDSACASA-N 248.326 1.605 30 50 BDEA O=C(/C=C/c1ccncc1)c1cccc[n+]1[O-] 25664716 TZHITPRSUUMALI-SNAWJCMRSA-N 226.235 1.611 30 50 BDEA Fc1ccc([C@@]2(Cn3cncn3)CO2)c(F)c1 336571 UIXQTZYZQHYHRL-LLVKDONJSA-N 237.209 1.482 30 50 BDEA in-vitro N#CCc1cc(C(=O)O)ccc1C(=O)O 216701108 YBMCIMFPZISSIU-UHFFFAOYSA-N 205.169 1.149 30 50 BDEA C=CCCC(=O)CC(=O)N1CCCCC1 238049147 HFKBUOBYORJLPP-UHFFFAOYSA-N 209.289 1.924 30 50 BDEA O=C(N[C@@H]1CCCc2c(F)cccc21)[C@H]1CO1 1875372563 IFEYZGDPZGUCAM-VXGBXAGGSA-N 235.258 1.718 30 50 BDEA O=C(NCCC1Cc2ccccc2C1)[C@H]1CO1 1875372234 ANRUCFSAOICFCA-CYBMUJFWSA-N 231.295 1.307 30 50 BDEA CC1(C)OB(c2ccc(N)cc2F)OC1(C)C 169743554 FLMNWVXAEGUVNY-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro C=CCNc1ccccc1C(=O)N[C@@H](CC)CO 55284806 OHOLDOFBUZIRFR-NSHDSACASA-N 248.326 1.785 30 50 BDEA C[C@H]1CCCC[C@@H]1CN1CC(O)(CC#N)C1 170089703 CGEHHOVCTJXFFN-NWDGAFQWSA-N 222.332 1.773 30 50 BDEA CO[C@@H]1CN(C(=O)[C@@H](C)CC#N)CC[C@H]1C 597540709 NNRMIMPKCZBBME-OUAUKWLOSA-N 224.304 1.420 30 50 BDEA C#C[C@@H](NC(=O)C=C)c1ccc(F)cc1 1120461701 JZWGYPJNELTOGP-LLVKDONJSA-N 203.216 1.802 30 50 BDEA N#Cc1cc([C@@H](O)[C@H]2CCCNC2)ccc1F 1857779946 HCVAQRQWNLLIBV-GXFFZTMASA-N 234.274 1.730 30 50 BDEA COc1ccc(/C=N/c2c(N)nc[nH]c2=O)cc1 5037797 CRHCNWLVYRQCRU-MKMNVTDBSA-N 244.254 1.111 30 50 BDEA CC(C)(C)OC(=O)N1[C@H](C=O)COC1(C)C 56979 PNJXYVJNOCLJLJ-MRVPVSSYSA-N 229.276 1.557 30 50 BDEA in-vitro C=C(c1ccccc1)[C@H](C(=O)O)S(C)(=O)=O 189876 SUTVKNUBDIMUQT-SNVBAGLBSA-N 240.280 1.198 30 50 BDEA C#C[C@@H](NC(=O)NCCc1cccnc1)C(C)C 252482615 DKXYABQNMJEMGG-CYBMUJFWSA-N 245.326 1.581 30 50 BDEA C#CCN1CCCN(C(=O)OC(C)(C)C)CC1 123009103 PAMXNDHEMRUQJQ-UHFFFAOYSA-N 238.331 1.562 30 50 BDEA N#CCSc1nnc(-c2ccncc2)o1 4050214 BQBFBVQOTLDPFY-UHFFFAOYSA-N 218.241 1.747 30 50 BDEA C[C@H]1CC(O)=CC(=O)[C@H]1C(=O)OC(C)(C)C 95545612 MGWBUWIKFKKJKZ-XVKPBYJWSA-N 226.272 1.995 30 50 BDEA C[C@@H]1O[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 1875322435 SWEWIRXBGFSNIK-CYZMBNFOSA-N 231.295 1.790 30 50 BDEA O=C(NCc1cccc(C2CC2)c1)[C@@H]1CO1 1875372405 FQUFOZHLRDKYEL-LBPRGKRZSA-N 217.268 1.579 30 50 BDEA CC1(C)OB(c2csc(C=O)c2)OC1(C)C 169808071 TWTLMECTLHOTSN-UHFFFAOYSA-N 238.117 1.860 30 50 BDEA in-vitro C/N=C(/NCCC1CC1)NC1CCCC1 170653533 UPIRWUZCZYWODN-UHFFFAOYSA-N 209.337 1.894 30 50 BDEA C=CC1CC(NCCC(=O)N2CCCCC2)C1 1775989398 AELFKEHDZJMKAZ-UHFFFAOYSA-N 236.359 1.943 30 50 BDEA N#Cc1ccnc(N[C@H]2C[C@H]3CC[C@H]2O3)c1 250232796 BQEQOYQWGPWPOC-OUAUKWLOSA-N 215.256 1.685 30 50 BDEA CCc1onc(C)c1N=C(O)c1cn[nH]c1 330493319 MITIZQHQIDDEDI-UHFFFAOYSA-N 220.232 1.905 30 50 BDEA CC(=O)/C=C/c1cc([N+](=O)[O-])ccc1O 36372844 FNXHBARMWISRHV-NSCUHMNNSA-N 207.185 1.903 30 50 BDEA CC(C)(C)C(=O)/C=C(/N)c1ccccn1 96431509 OLTRVMIVQDZHCG-CMDGGOBGSA-N 204.273 1.996 30 50 BDEA N#Cc1cccc(Cn2cnccc2=O)c1F 223552100 SNZAODQYOULXDZ-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA Cn1nc(C(=O)OC(C)(C)C)cc1/C=N/O 2325791705 SFFVZRFDXGKLDQ-IZZDOVSWSA-N 225.248 1.184 30 50 BDEA C=C1CC(Cn2ncc3c(N)ncnc32)C1 2325783205 CPIZJKGYIQHRRH-UHFFFAOYSA-N 215.260 1.375 30 50 BDEA CCOC(=O)[C@H](C)[C@@](C)(C#N)C(=O)OCC 1695183 GBHOITGWOMPVEV-GZMMTYOYSA-N 227.260 1.279 30 50 BDEA COC(=O)[C@H](/C=N\Cc1ccccc1)[C@H](C)O 102319631 OFNMIRBEECJQRU-BZUAJTQKSA-N 235.283 1.427 30 50 BDEA CC#CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 283308031 UWKYDOSYHLEBGD-HIFRSBDPSA-N 242.322 1.571 30 50 BDEA O=C(NO)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 863856996 WTTILFACZMAGOC-IVZWLZJFSA-N 223.659 1.731 30 50 BDEA Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CCOC2)n1 598853085 LJJSKUPKBSKGSA-JTQLQIEISA-N 245.282 1.545 30 50 BDEA C[C@@H]1CCCC[C@H]1OCC/N=C(\N)NC1CC1 195522507 NQBZFQFYXLOXLI-ZYHUDNBSSA-N 239.363 1.648 30 50 BDEA N#Cc1ccccc1OC1CCNCC1 12359873 OIFRRCRLKBGBKR-UHFFFAOYSA-N 202.257 1.689 30 50 BDEA in-vitro Cc1nc(N=C(N)N)sc1Br 19851805 UDWLSOGZIUWQSA-UHFFFAOYSA-N 235.110 1.119 30 50 BDEA in-vitro C[C@]1(C#N)CCCN(C(=O)C2CCOCC2)C1 612244604 FISBCMUZNWARQG-CYBMUJFWSA-N 236.315 1.565 30 50 BDEA CC(=O)C1=CNC(=O)N[C@H]1c1ccccc1 6604212 HIKJBWFESLXHJT-NSHDSACASA-N 216.240 1.513 30 50 BDEA C/C(NCc1ccccc1)=C1\C(=O)O[C@H](C)C1=O 100319890 CHAJUISTISVZPL-QSARLWQPSA-N 245.278 1.565 30 50 BDEA C=CCC(O)(CC=C)CN[C@@H]1CCSC1 65381577 GWSHKJROKNIDLX-LLVKDONJSA-N 227.373 1.965 30 50 BDEA C=CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 585142766 BFYALCSGIXUROF-UHFFFAOYSA-N 248.135 1.758 30 50 BDEA COC(=O)/C=C/c1cnc(C#N)c(F)c1 66054275 BFGIHTQPQHUEJY-NSCUHMNNSA-N 206.176 1.279 30 50 BDEA in-vitro C=CC(=O)NC1CC(C#N)(c2ccccc2)C1 1875368182 XONNPNADDGYJKT-UHFFFAOYSA-N 226.279 1.913 30 50 BDEA C#CCN(C)CCCNCc1cccc(C#N)c1 392819080 SKBRDPFZDLCCST-UHFFFAOYSA-N 241.338 1.603 30 50 BDEA N#Cc1cc[n+](CC(=O)c2ccc(F)cc2)cc1 3136898 BRZWIQYMVDSWPA-UHFFFAOYSA-N 241.245 1.868 30 50 BDEA NC(N)=NC(=O)Cc1c(Cl)cccc1Cl 3872738 INJOMKTZOLKMBF-UHFFFAOYSA-N 246.097 1.336 30 50 BDEA biogenic,fda CC(C)(C)OC(=O)N1CCO[C@@H](CC=O)C1 38530154 XEPDBSLMMIBFBX-VIFPVBQESA-N 229.276 1.211 30 50 BDEA in-vitro CCC#CCN1CCCN(C)C2(CCNCC2)C1 534675425 HRJJXGUDOCMZSU-UHFFFAOYSA-N 249.402 1.160 30 50 BDEA c1cn(-c2ccc(OC[C@H]3CO3)cc2)nn1 1875379461 QSQRSOIDKOANKG-NSHDSACASA-N 217.228 1.045 30 50 BDEA COC[C@@H](OC(=O)c1ccc(C#N)[nH]1)C1CC1 156312006 URBCNZRRZBQIEY-LLVKDONJSA-N 234.255 1.468 30 50 BDEA C=CCNS(=O)(=O)c1cccs1 2602237 AUHGVYZXVHHKGB-UHFFFAOYSA-N 203.288 1.212 30 50 BDEA in-vitro N#Cc1ccc(/C=C2/SC(=O)NC2=O)cc1 1231265 JHOXLOJNXWPOJX-WEVVVXLNSA-N 230.248 1.882 30 50 BDEA CN(C)CCNCCOc1ccccc1C#N 20418829 AFNZMJWWDPQMDJ-UHFFFAOYSA-N 233.315 1.088 30 50 BDEA CC1(C)OB([C@]23CNCC[C@@H]2C3)OC1(C)C 1857780536 OTOHJSZLZNMDBT-BXKDBHETSA-N 223.125 1.832 30 50 BDEA C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccn2)CO1 408403299 AMVFCMAERZUPHQ-PSASIEDQSA-N 231.255 1.317 30 50 BDEA N#Cc1ccncc1N1CCC[C@@H](F)C1 336597837 ZQZFRHVIAMWBLD-SNVBAGLBSA-N 205.236 1.892 30 50 BDEA COCc1c(Cl)c(C)[nH]c(=O)c1C#N 406608 GREAUMWUPCCTKL-UHFFFAOYSA-N 212.636 1.355 30 50 BDEA C#CCN(CC#C)S(=O)(=O)c1ccc(C)cc1 1569212 NNPRNGRENISUMK-UHFFFAOYSA-N 247.319 1.252 30 50 BDEA CCOC(=O)/C(=N/OCc1ccccc1)C(C)=O 12336325 CEADWDFQIWMXQB-WYMLVPIESA-N 249.266 1.711 30 50 BDEA CN(c1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1O 252918812 CSEDPXRJKBIMDA-CHWSQXEVSA-N 231.299 1.693 30 50 BDEA O=C[C@H]1Cc2cc(C(F)(F)F)ccc2C(=O)O1 642886383 KMJDRLIARPAQJC-MRVPVSSYSA-N 244.168 1.986 30 50 BDEA Cn1cc(CCNC(=O)[C@H]2CO2)c2ccccc21 1875372671 KNNDRSGNQSNEPA-CYBMUJFWSA-N 244.294 1.236 30 50 BDEA C/C(=N\NC(N)=S)[C@@H]1C[C@H]2CC[C@H]1C2 101116593 CNMKSHVOZNSRQB-INAYNQBHSA-N 211.334 1.632 30 50 BDEA CCN(CC)/C(N)=N/c1nc(C)cc(C)n1 13110626 ZNFBFJGNYALTDO-UHFFFAOYSA-N 221.308 1.381 30 50 BDEA CCN(CC)CC#CC[C@H](C)OC(C)=O 2837506 UKQXNWIHLRWUPD-NSHDSACASA-N 211.305 1.673 30 50 BDEA COC(=O)[C@H](C#N)C(=O)c1ccccc1 100062592 MHXYWUNYSPAWFW-SECBINFHSA-N 203.197 1.182 30 50 BDEA CC#CC(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 862032230 ZLLAEQUILOJLDN-YFKPBYRVSA-N 247.176 1.289 30 50 BDEA C[C@H](C[C@H]1CCOC1)N=c1ccc(C#N)c(N)[nH]1 594562674 GSWWGTJXXDQCCC-NXEZZACHSA-N 246.314 1.184 30 50 BDEA O=C(ON1C(=O)CCC1=O)c1ccc(F)cc1 3194543 LSSQMISUDUUZCC-UHFFFAOYSA-N 237.186 1.047 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccc(O)c(O)c1 4898836 VKMJSKFTJKXVKU-WUXMJOGZSA-N 232.243 1.188 30 50 BDEA N#Cc1c(Cl)cccc1N1CCNC(=O)C1 9378980 ZKTAXXHNFJURKB-UHFFFAOYSA-N 235.674 1.148 30 50 BDEA CC#CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1 125735141 CSGIDDJUUNDLLG-RYUDHWBXSA-N 243.372 1.345 30 50 BDEA Cc1nn(C)cc1-c1ccnc2c(C#N)cnn12 2526601 XQDPJZOUPOHGBB-UHFFFAOYSA-N 238.254 1.310 30 50 BDEA C=C/C(O)=N/C[C@]1(O)C[C@H](OCC)C1(C)C 328598497 MHDNERPWQFDYBE-JOYOIKCWSA-N 227.304 1.695 30 50 BDEA N#CCCC(CCC#N)(CCC#N)[N+](=O)[O-] 1857403 MUPJJZVGSOUSFH-UHFFFAOYSA-N 220.232 1.913 30 50 BDEA in-vitro CC#CC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 293782168 RSHHMHFGJHIOKH-MRVPVSSYSA-N 249.232 1.578 30 50 BDEA Cc1[nH]c(CN(C)C[C@H]2CCCN2C)cc1C#N 584893684 YZBWVCRIZDJYNP-CQSZACIVSA-N 246.358 1.721 30 50 BDEA COC(=O)c1ccc([N+](=O)[O-])c(CC#N)c1 199821490 MYIIJYVEDDBECQ-UHFFFAOYSA-N 220.184 1.447 30 50 BDEA in-vitro CN(c1ccccc1)[C@H]1CCN(C(=O)CC#N)C1 598379492 VCRQRVHPLRLVJS-ZDUSSCGKSA-N 243.310 1.637 30 50 BDEA CN1CCN(/N=C/C=C/c2ccccc2)CC1 2928035 ONKOHLDHCUFDRA-MSNJMMSUSA-N 229.327 1.933 30 50 BDEA c1ccc(CN=C2N[C@@H]3CCC[C@H]3N2)cc1 1775994031 PZBBXEHKFITWLH-VXGBXAGGSA-N 215.300 1.657 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H](C#N)C(=O)C1(C)C 32914966 CIJITXVSORFVFB-QMMMGPOBSA-N 238.287 1.725 30 50 BDEA CN[C@H]1CCCN(c2ccc(C#N)c(C)n2)C1 261545109 FOABIAGBIICUDK-LBPRGKRZSA-N 230.315 1.450 30 50 BDEA C(=N/c1ncccn1)\c1ccc2c(c1)OCO2 43761156 SMUJSDKILCPWTJ-VIZOYTHASA-N 227.223 1.956 30 50 BDEA CN(C)/C=C1\Oc2cc(O)ccc2C1=O 226848656 CFVHCQSRXXCZPD-POHAHGRESA-N 205.213 1.370 30 50 BDEA C[C@@]1(c2ccc(S(C)(=O)=O)cc2)O[C@H]1C#N 380511689 NVBWBALKUHOLLU-QWRGUYRKSA-N 237.280 1.228 30 50 BDEA CO/N=C(\Nc1ccccc1C)c1nonc1N 5022460 QSMNMDBLLJHEBD-UHFFFAOYSA-N 247.258 1.380 30 50 BDEA COc1ccc([N+](=O)[O-])cc1C[S+](C)C 5210873 WZWZBLLLPIHNTI-UHFFFAOYSA-N 228.293 1.981 30 50 BDEA CCc1nnc(S)n1/N=C/c1ccccn1 5686835 ZPRIGUHDSBGQJQ-KPKJPENVSA-N 233.300 1.406 30 50 BDEA N#CCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 228487789 VTODMRVSKVQITH-TUAOUCFPSA-N 208.305 1.525 30 50 BDEA C=CCSc1nnc(NC(C)=O)s1 6837828 ZGUBKKHHLHJZGR-UHFFFAOYSA-N 215.303 1.775 30 50 BDEA CCS/C(=N\C1CCCCC1)NC(=N)N 96026709 OGFPEJSABGCWLS-UHFFFAOYSA-N 228.365 1.911 30 50 BDEA C#CCN(C)C(=O)CSc1cccc(OC)c1 276938946 FTDJYTOMMWPVNX-UHFFFAOYSA-N 249.335 1.879 30 50 BDEA C#CC[C@H](C)N1C(=O)CN(CCC)C1=O 170614026 RVHGAIWAOAGYFX-VIFPVBQESA-N 208.261 1.072 30 50 BDEA C=CC[C@H]1NC(=O)N(CC2(CC)CC2)C1=O 1326364907 SAAOZXXACIXEAM-SECBINFHSA-N 222.288 1.673 30 50 BDEA C=C(C)CNC(=O)[C@@H]1C[C@H]1C(=O)NCC(=C)C 192583500 MITWJMSRHUZJSM-GHMZBOCLSA-N 236.315 1.007 30 50 BDEA C[C@@H]1CCCCN1CCC/N=C(\N)N(C)C 170908193 DQJYTSFJYLSVHP-LLVKDONJSA-N 226.368 1.127 30 50 BDEA Cc1occc1C(=O)O/N=C(\N)c1ccncc1 4170116 IWUSUOOQASQRQK-UHFFFAOYSA-N 245.238 1.460 30 50 BDEA C=C(NC(C)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1 4576884 XIFAWEQWBWGUHX-NSHDSACASA-N 236.227 1.278 30 50 BDEA N#Cc1ccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cn1 249437589 FHIJOGVXAZKJFO-PIJOPPAWSA-N 241.294 1.159 30 50 BDEA COc1ccc2c(c1)[C@@]1(CC2)O[C@H]1C#N 306439759 HKRAIFDNGUIOIS-NWDGAFQWSA-N 201.225 1.759 30 50 BDEA CCOC(=O)c1cnc2c(C#N)cccc2c1O 8925783 IOXBKBFKCYONPW-UHFFFAOYSA-N 242.234 1.989 30 50 BDEA C=CC(C)(C)C(=O)N1CCCO[C@H](CF)C1 335194553 GHZKGXMFVCQCHG-SNVBAGLBSA-N 229.295 1.786 30 50 BDEA COC(=O)C1CN(c2ccccc2C#N)C1 97757011 XXVNKAVFQBWXJM-UHFFFAOYSA-N 216.240 1.167 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@H](CO)C(C)(C)[C@H]1C 1875376963 OECGEKATCQABEW-QJPTWQEYSA-N 237.343 1.559 30 50 BDEA C#CCN(C)CC(=O)N[C@@H](C)c1ccccc1 170611958 OSZBLGFEOBWOQN-LBPRGKRZSA-N 230.311 1.429 30 50 BDEA CC[C@H](C)n1ncc(N=C(O)c2cnn[nH]2)c1C 331107033 GWYWXANQHMGYLS-ZETCQYMHSA-N 248.290 1.917 30 50 BDEA CC1(C)OB(c2cc(F)ccc2C#N)OC1(C)C 169747319 ZULLJYIMHRJPQA-UHFFFAOYSA-N 247.078 1.997 30 50 BDEA in-vitro CNS(=O)(=O)c1ccc(Cl)cc1C#N 156015133 NWMGIUFSZATCTG-UHFFFAOYSA-N 230.676 1.120 30 50 BDEA CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@H]1C#N 1857778573 XFHYFTWLIMRDJR-BWZBUEFSSA-N 222.244 1.292 30 50 BDEA C[C@@H]1N(c2nccc(C#N)n2)CCOC1(C)C 408456439 IMZYRHCDJXTNOH-VIFPVBQESA-N 232.287 1.352 30 50 BDEA CS(=O)(=O)OCCOc1ccccc1 1747899 CEWGIIZKTNAOIY-UHFFFAOYSA-N 216.258 1.042 30 50 BDEA C=CCOC[C@@H](O)C[S@](=O)CCCC 4947874 LDZJGCBPDVYSKY-YGRLFVJLSA-N 220.334 1.099 30 50 BDEA C#CCN[C@@H](COC)c1ccc(OCC)cc1 284902244 WYUUPPMAJJTJRI-AWEZNQCLSA-N 233.311 1.996 30 50 BDEA CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)C#N)CCO1 181201732 QRYNFAGLRGTKBP-HBNTYKKESA-N 224.304 1.610 30 50 BDEA CC1(C)CC(=O)C(=C2CCCN2CC#N)C(=O)C1 403632 FLIKQHKCCXVNCF-UHFFFAOYSA-N 246.310 1.818 30 50 BDEA N#CC1(NC(=O)[C@H]2CC2(F)F)CCCCC1 336246631 YNONXNVMUXHEMS-MRVPVSSYSA-N 228.242 1.984 30 50 BDEA CC(=NO)c1ccc(-n2cncn2)cc1 254827069 VVOXRSCTXMFUFJ-UHFFFAOYSA-N 202.217 1.466 30 50 BDEA C#CC(C)(C)N1CC[C@H](O)[C@H]2CCC[C@H]21 820344450 ABOWUBBXNPKAPQ-TUAOUCFPSA-N 207.317 1.634 30 50 BDEA C=CCC[C@@H](C)N[C@H]1CCN(C(C)C)C1=O 134931462 MEZKZUNJDONCNA-NEPJUHHUSA-N 224.348 1.940 30 50 BDEA Cc1nc(N)ccc1B1OC(C)(C)C(C)(C)O1 169746345 GSUFLCZLNBGBLC-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA in-vitro CNC(=NC[C@H]1SCCc2ccccc21)NC 170653820 FALAFKXTFVCKRJ-GFCCVEGCSA-N 249.383 1.812 30 50 BDEA N#Cc1cccc2c1CCN2C(=O)[C@H]1C[C@@H](O)C1 602168435 SFCOADOTASLFPF-PHIMTYICSA-N 242.278 1.218 30 50 BDEA c1ccc(C/N=C2/NC[C@@H]3CCC[C@@H]3N2)cc1 1775994240 ZEDZBUPFMLXPLL-STQMWFEESA-N 229.327 1.904 30 50 BDEA Cc1cnsc1B1OC(C)(C)C(C)(C)O1 1857786444 HVOCWZJRPSOIFH-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA O=C1C=CC(=NS(=O)(=O)c2ccccc2)C=C1 285139 HLORUYGEORPDNQ-UHFFFAOYSA-N 247.275 1.511 30 50 BDEA O=C(C[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 1817943 IZCUMBRJZVGTIX-UHFFFAOYSA-N 243.242 1.765 30 50 BDEA CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccco1 4833774 DKABIGNSXWGDDT-SNVBAGLBSA-N 245.242 1.144 30 50 BDEA Fc1ccc(/C=N/n2cn[nH]c2=S)cc1 6557367 QTTASNOIPDWQDB-LFYBBSHMSA-N 222.248 1.962 30 50 BDEA CC(=O)N=C1C(=O)[C@@H](c2ccccc2)N(C)N1C 409415870 NYUXDJQDANIFPU-LLVKDONJSA-N 245.282 1.034 30 50 BDEA N#Cc1ncc([N+](=O)[O-])cc1Br 164887612 VAGVLGKIIQGBFU-UHFFFAOYSA-N 228.005 1.624 30 50 BDEA CC[C@H](CC#N)NC(=O)c1cc(C#N)ccc1O 408514553 QRCMCFZNWRTBJH-SNVBAGLBSA-N 243.266 1.686 30 50 BDEA CC1(C)OB(c2ccsc2C#N)OC1(C)C 169955738 HUZWPBPPEDMPTR-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA N#Cc1ccc(=N[C@@H]2CC[C@@H](F)C2)[nH]c1 336494808 PRQSFQUFJIZJCH-NXEZZACHSA-N 205.236 1.678 30 50 BDEA C=CCON1C(=O)c2ccccc2C1=O 2555733 XVKREICBUWCANY-UHFFFAOYSA-N 203.197 1.400 30 50 BDEA in-vitro C[C@@]1(CNc2cccc(C#N)n2)CCCO1 87254215 JMGJRSWPASUDSO-LBPRGKRZSA-N 217.272 1.934 30 50 BDEA CC(C)(C)C(=O)N1CCOc2nc(C#N)ccc21 66054247 NDHZTAUNYPAJKE-UHFFFAOYSA-N 245.282 1.725 30 50 BDEA in-vitro C#CC1(F)CN(C(=O)[C@@H]2CSCCS2)C1 881942049 NLZGSGYAFIQISR-QMMMGPOBSA-N 245.344 1.019 30 50 BDEA CC(C)(C#CCN1CCOCC1)OCCC#N 19770604 NVLSJLMIMRTPMV-UHFFFAOYSA-N 236.315 1.031 30 50 BDEA Cc1c(C(=O)NCC#N)cccc1[N+](=O)[O-] 2766229 SDMNSGQAXWHBCN-UHFFFAOYSA-N 219.200 1.157 30 50 BDEA COc1ccc(C(=O)/C=C(\O)C(=O)O)cc1 100316664 ORNVKJLDTIFUFH-POHAHGRESA-N 222.196 1.404 30 50 BDEA C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1O 39039909 IMRNHROGUGVTAI-SECBINFHSA-N 213.277 1.544 30 50 BDEA in-vitro CC[C@@H](C)/N=C(\N)NCCN1CCCC[C@H]1C 241132854 JMEQWRBUZDSZMA-VXGBXAGGSA-N 240.395 1.564 30 50 BDEA COc1ccccc1C1(CNC(=O)[C@H]2CO2)CC1 1875372452 GMHOIEYGBZUWDH-GFCCVEGCSA-N 247.294 1.242 30 50 BDEA CC1(C)OB(c2cccc(CN)c2)OC1(C)C 169747222 XCHQBFQWVQIKJA-UHFFFAOYSA-N 233.120 1.445 30 50 BDEA in-vitro O/N=c1/sc2ccccc2n1CCS 100467966 LOXRZEGJJDSLSP-MDZDMXLPSA-N 226.326 1.923 30 50 BDEA C=CCN(C(=O)[C@H](C)Cn1ccnc1)C1CC1 1614628318 OEAYFTVWBZWCSF-LLVKDONJSA-N 233.315 1.696 30 50 BDEA CC(C)c1nn(C)cc1-c1cn(C)nc1C#N 1616035961 CCMBNGKDMTWPQJ-UHFFFAOYSA-N 229.287 1.816 30 50 BDEA C#CCNC(=O)c1cccc(OC)c1OC 12973479 JILSQORZQUWIHG-UHFFFAOYSA-N 219.240 1.067 30 50 BDEA N#CC(Br)(Br)C#N 1691990 LUNYYTDCIRGSDM-UHFFFAOYSA-N 223.855 1.520 30 50 BDEA Nc1cccc[n+]1CC(=O)c1ccccc1 1782884 MMDULWZPNHPGCC-UHFFFAOYSA-O 213.260 1.439 30 50 BDEA C=CCNC(=O)COc1cc(C)ccc1C 2953612 HHQJCXLEZWFPQY-UHFFFAOYSA-N 219.284 1.984 30 50 BDEA CC(C)=NNS(=O)(=O)c1ccccc1 4822350 MSPAYODQDXWYNX-UHFFFAOYSA-N 212.274 1.361 30 50 BDEA CC(C)C[C@@H]1CC(=O)C=C(Nc2nnn[nH]2)C1 6563888 UUDUKBFDNRHTKG-QMMMGPOBSA-N 235.291 1.521 30 50 BDEA CC[C@@H](COC)Nc1ccc(C#N)nc1 122465996 QGGBDXXKNBCNDN-VIFPVBQESA-N 205.261 1.790 30 50 BDEA CC(C)(C)[C@H](C#N)NC(=O)c1cc(C#N)ccn1 292098462 OUYVZOYLATYHSD-NSHDSACASA-N 242.282 1.621 30 50 BDEA O=C([C@@H]1CO1)N1CCC[C@@](F)(c2ccccc2)C1 1875372793 MOEXDKVVGKZDPZ-JSGCOSHPSA-N 249.285 1.873 30 50 BDEA C=CC(=O)N[C@@H](C#N)Cc1ccccc1 1875361747 BQZZZJPWGUAUDQ-LLVKDONJSA-N 200.241 1.423 30 50 BDEA CNC(=O)[C@H]1CCCc2cc(C#N)ccc21 1875268515 XEVFJAPTMIDKEF-LBPRGKRZSA-N 214.268 1.724 30 50 BDEA CCOCCC(=O)OCC#Cc1ccccn1 888099876 ZSGYEFZHPFHGCM-UHFFFAOYSA-N 233.267 1.403 30 50 BDEA Cn1ccc(C(=O)Nc2ccc(CC#N)cc2)n1 218005584 XKCNPQKORBSDNU-UHFFFAOYSA-N 240.266 1.738 30 50 BDEA Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1Cl 575596856 MTBAZNALYJCPAZ-UHFFFAOYSA-N 242.515 1.373 30 50 BDEA CC1(C)OB(c2cnc(N)s2)OC1(C)C 169968642 HJGXLJCKHNVWSX-UHFFFAOYSA-N 226.110 1.025 30 50 BDEA CCOC(=O)c1c(C)[nH]c2cc(C#N)c(=O)oc12 23549842 LTLKPAQQHYQREX-UHFFFAOYSA-N 246.222 1.478 30 50 BDEA N#Cc1cccc(-c2cc(C(=O)O)no2)c1 90567813 WOBMZDOJEBOCCU-UHFFFAOYSA-N 214.180 1.911 30 50 BDEA in-vitro CN(C)C(=O)CCB1OC(C)(C)C(C)(C)O1 169794522 XDDPXJJXCIJTGH-UHFFFAOYSA-N 227.113 1.557 30 50 BDEA in-vitro C#C[C@@H](CO)NC(=O)Nc1c(C)cccc1C 585140974 NIQIWSKTTRJAAJ-NSHDSACASA-N 232.283 1.419 30 50 BDEA N#Cc1cccnc1OCC(F)(F)F 127652 ZTQQMHFXDKEKHR-UHFFFAOYSA-N 202.135 1.894 30 50 BDEA in-vitro C#C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 307442613 AGKAYQWMUSFFPK-BXKDBHETSA-N 207.273 1.877 30 50 BDEA in-vitro COc1cc2c(cc1OC)[C@@H](CC#N)NCC2 19418801 UVGYAOQHGGLHHV-LLVKDONJSA-N 232.283 1.804 30 50 BDEA N#Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2O3)nc1 110680645 JLCHVVPVUJKAIO-GMTAPVOTSA-N 215.256 1.685 30 50 BDEA CSc1nn2c(C)cc(C)nc2c1C#N 96311 XCBCJQJCCRBGOW-UHFFFAOYSA-N 218.285 1.940 30 50 BDEA C#CCOc1cc(/C=C/C(=O)O)ccc1OC 2585599 NRKUSLPZZSYOAU-FNORWQNLSA-N 232.235 1.805 30 50 BDEA N#CC1(C(=O)N2CCC(F)(F)C2)CCC1 259306923 CSKPXDONCOPAFG-UHFFFAOYSA-N 214.215 1.548 30 50 BDEA CC(=O)/C=C/C1=C(C)[C@@H](O)[C@@H](O)CC1(C)C 136671447 FXRGLHAKDUTPCV-CYLBZQBVSA-N 224.300 1.600 30 50 BDEA biogenic C=C(C)C(=O)NCc1ccc(OC)cc1 138008959 BUVPPTHMNQLUJS-UHFFFAOYSA-N 205.257 1.888 30 50 BDEA C=CCn1c(CN)nnc1SCCCCF 426552016 NTTXKYIWGBMEQQ-UHFFFAOYSA-N 244.339 1.765 30 50 BDEA CC1=C2C=C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3[C@@H]2CCC1=O 254790742 GFJXYOAERZJHJG-MXMAQPRASA-N 248.322 1.600 30 50 BDEA Cc1c(C#N)c(N)n(CCCN(C)C)c1C 4205860 JLINRXHDECVPQI-UHFFFAOYSA-N 220.320 1.511 30 50 BDEA in-vitro CC[C@H]1CN/C(=N/Cc2ccccc2)N1 1775997522 FYFDIPTZBRJZMS-NSHDSACASA-N 203.289 1.514 30 50 BDEA N#Cc1ncccc1N1CCC[C@@H](F)C1 336580265 PSWBVOFKDWNEIR-SECBINFHSA-N 205.236 1.892 30 50 BDEA N#Cc1cnc(N[C@@H]2C[C@H]3CC[C@H]2C3)cn1 250767058 LBWLRYJCLYTPPN-ATZCPNFKSA-N 214.272 1.949 30 50 BDEA CC#CCNc1cc(C)c([N+](=O)[O-])cn1 122314627 HWQLHEYTAUZIKV-UHFFFAOYSA-N 205.217 1.733 30 50 BDEA C#C[C@H]1COCCN1c1nc2ccccc2o1 491774690 APXFGHPNCHDDOG-JTQLQIEISA-N 228.251 1.666 30 50 BDEA COc1ccc(C#N)c([N+](=O)[O-])c1OC 32004924 PPXIMMALSMXMBD-UHFFFAOYSA-N 208.173 1.484 30 50 BDEA CC(C)[C@@](C)(O)C(=O)OCC#Cc1ccccc1 791448200 UMOIIYMUGYLKQA-OAHLLOKOSA-N 246.306 1.988 30 50 BDEA CCCCCC(=O)N[C@H](C#N)[C@H]1CCOC1 1875363324 YFQYJGXBUDMTEG-WDEREUQCSA-N 224.304 1.612 30 50 BDEA C#C[C@](C)(CC)OC[C@@H](O)CN1CCCC1 12421407 HPMKZAIQFDBENL-QWHCGFSZSA-N 225.332 1.262 30 50 BDEA O=C(/C=C\c1ccncc1)c1cccc[n+]1[O-] 4531822 TZHITPRSUUMALI-PLNGDYQASA-N 226.235 1.611 30 50 BDEA CN(CCc1ccncc1)c1ccc(C#N)nn1 302017748 ZEJOTSRVCMCZII-UHFFFAOYSA-N 239.282 1.422 30 50 BDEA CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1 440136 QYJHIQOGLVQUBN-UHFFFAOYSA-N 249.339 1.729 30 50 BDEA CC(=O)Nc1cccc(-c2c[nH]nc2C#N)c1 67473190 DQKDVFXWNGFVBY-UHFFFAOYSA-N 226.239 1.907 30 50 BDEA CC(C)(CO)CNc1ccc(C#N)nc1 131030245 PIMVTVBQGDVKGK-UHFFFAOYSA-N 205.261 1.384 30 50 BDEA CC1(C)CN(c2cccc(C#N)n2)C[C@]1(C)O 92096967 OBRAWQDYIPLVSQ-ZDUSSCGKSA-N 231.299 1.550 30 50 BDEA CC1=C2C=C[C@@H]3C[C@H](O)[C@H](O)C[C@@H]3[C@H]2CCC1=O 254790746 GFJXYOAERZJHJG-WIAIPBKYSA-N 248.322 1.600 30 50 BDEA N#C[C@@]1(NCc2ccccc2)CCOC1 70971276 JMPCXIXBNHAQFR-LBPRGKRZSA-N 202.257 1.459 30 50 BDEA in-vitro O=C([C@H]1CO1)N1CCC[C@@H](Cc2ccccc2)C1 1875372400 FHFFVWFHXHPNOT-UONOGXRCSA-N 245.322 1.867 30 50 BDEA C#CCN(C)c1ccc2nnc(C(F)F)n2n1 170611224 QBZKONPNTZXWCG-UHFFFAOYSA-N 237.213 1.131 30 50 BDEA Cc1c[n+](CC(=O)c2ccccc2)cc(C)n1 15635759 JBXXIKJKJZYROL-UHFFFAOYSA-N 227.287 1.869 30 50 BDEA COc1ccc(OC[C@@H]2CO2)cc1C#N 1857780785 PJCDBRHUAUSZTJ-SNVBAGLBSA-N 205.213 1.344 30 50 BDEA Cc1ccc(N/N=C2/C(=N)ON=C2N)cc1 7023367 QLHXLHMSSLQHAN-NGANPXQUSA-N 217.232 1.043 30 50 BDEA C[C@](O)(C#CCN1CCCC1)c1ccccc1 4996433 VYMPRLUAIDTTBH-HNNXBMFYSA-N 229.323 1.993 30 50 BDEA COc1nccc(N2C[C@@H](C)[C@@](C)(O)C2)c1C#N 91665283 XHYGMSVZLLVDJR-RNCFNFMXSA-N 247.298 1.169 30 50 BDEA CCCC/N=C(/S)NC(C)(C)CO 13522627 SDYBZGLCOUZVFM-UHFFFAOYSA-N 204.339 1.433 30 50 BDEA N#CCCCN1C(=O)CN(CCCC2CC2)C1=O 1875308294 YQYQAPBEZQHYDU-UHFFFAOYSA-N 249.314 1.745 30 50 BDEA CC#CCN=C1NC[C@H]2CC[C@H](C)CN12 2325801520 LVSNDECHBCWUAM-WDEREUQCSA-N 205.305 1.069 30 50 BDEA COc1ccc(C/C(=N/O)C(=O)O)cc1 4532445 IQZHUSREBYJGPY-LUAWRHEFSA-N 209.201 1.153 30 50 BDEA N#CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 121171748 SDPDIXBGJAMAHU-CABZTGNLSA-N 238.237 1.596 30 50 BDEA O=C(CS)Nc1ccc(C(=O)O)cc1 188464 UGGJPGMFOQWZPX-UHFFFAOYSA-N 211.242 1.253 30 50 BDEA CC(=O)O[C@H](C)CC#CCN1CCCC1 2472328 LURRSPSUISZTCL-LLVKDONJSA-N 209.289 1.427 30 50 BDEA COC[C@@](C)(C#N)NC(=O)[C@H]1Cc2ccccc21 610925251 PVPNPVSLROBVNW-GXTWGEPZSA-N 244.294 1.371 30 50 BDEA CC(C)(C)OC(=O)NC1(C=O)CC(F)(F)C1 147563329 BSUSHTPSMGKZKK-UHFFFAOYSA-N 235.230 1.878 30 50 BDEA C#CCN(CC#N)C(=O)c1ccc(O)cc1F 253425152 PVWMBYJJLMUJBQ-UHFFFAOYSA-N 232.214 1.130 30 50 BDEA CCO/C=C(\C(=O)OCC)C(=O)c1ccncc1 1775973194 MYANDKOQMUAAEM-LUAWRHEFSA-N 249.266 1.748 30 50 BDEA C#CCCS(=O)(=O)NCCC1=CCCCC1 225391377 GKMGQSJCSOVGSK-UHFFFAOYSA-N 241.356 1.820 30 50 BDEA C=CCN1CCN(C(=O)c2cccnc2)CC1 12343756 VSUMQWFNWHEZNK-UHFFFAOYSA-N 231.299 1.025 30 50 BDEA N#Cc1cc(F)ccc1N1C[C@H]2COC[C@H]2C1 377390088 GKLBAKJMXNHAQT-PHIMTYICSA-N 232.258 1.780 30 50 BDEA CC1(C)CC(=O)C(=CN2CCOCC2)C(=O)C1 192907 ZGXWHZBODGYEKE-UHFFFAOYSA-N 237.299 1.161 30 50 BDEA C=CCn1nnc(NC(=O)c2cccc(C)c2)n1 10010689 MLARHKRDTDBZLL-UHFFFAOYSA-N 243.270 1.420 30 50 BDEA OCC#Cc1ccccc1Br 2525607 XKDNOCLQNOYLPM-UHFFFAOYSA-N 211.058 1.793 30 50 BDEA C=CCSc1nnc(-c2ccccc2)n1N 4002020 AESZPABVZGGINU-UHFFFAOYSA-N 232.312 1.937 30 50 BDEA C=C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 263152953 MGORVLNCEYBVBQ-UHFFFAOYSA-N 244.294 1.578 30 50 BDEA C#CCCCS(=O)(=O)NC(=O)C[C@H](C)CC 1875291283 UEXCPCZOINXLQZ-SNVBAGLBSA-N 245.344 1.282 30 50 BDEA CC1(C)OB(c2ccc3nccn3c2)OC1(C)C 169747628 BKLKKLAXVIBXDW-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA in-vitro Cn1ncnc1COc1ccc(C#N)c(Cl)c1 190260525 HWVCNCGHGNKCBW-UHFFFAOYSA-N 248.673 1.919 30 50 BDEA CC#CC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 836832075 JFWKLGQZWILCLT-NEPJUHHUSA-N 223.316 1.577 30 50 BDEA CCC[C@H](C#N)NC(=O)c1ccc2ncnn2c1 1615586483 OUWJASAXNVVEOG-SNVBAGLBSA-N 243.270 1.151 30 50 BDEA COc1ccncc1B1OC(C)(C)C(C)(C)O1 169746827 FVHUFNSLTSKBDN-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA C#CCCCS(=O)(=O)Nc1ccccn1 328594560 UOEUZURRINIIKF-UHFFFAOYSA-N 224.285 1.237 30 50 BDEA C#CCOc1ccc(C(=O)NCC=C)cc1 6743419 SJLMCFPBXUIFKS-UHFFFAOYSA-N 215.252 1.614 30 50 BDEA N#Cc1cccc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 336341310 NJNJQTJDXQEJJC-RYUDHWBXSA-N 248.257 1.103 30 50 BDEA C=CCOCCN1C(=O)c2ccccc2C1=O 338518389 WPJCNNCAXJPJCR-UHFFFAOYSA-N 231.251 1.485 30 50 BDEA NC(=O)N1CC/C(=N\O)c2ccccc21 217217343 LGGDBMUJQNXJSP-XYOKQWHBSA-N 205.217 1.154 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=O)C1 100505201 PUTOENHGHDTSSY-KWQFWETISA-N 211.261 1.442 30 50 BDEA in-vitro C#CCCCS(=O)(=O)Nc1ccc(C)nc1 253431563 SHGHLLFJCFDTMX-UHFFFAOYSA-N 238.312 1.545 30 50 BDEA C=C(C)CN(C)C(=O)Nc1ccnc2ccnn12 934982069 LFLISZHUKXOIPV-UHFFFAOYSA-N 245.286 1.769 30 50 BDEA COC(=O)c1ccccc1C1=CC(=O)C=CC1=O 295044 MPEPAZKXSUCRQP-UHFFFAOYSA-N 242.230 1.565 30 50 BDEA C=CCn1nnnc1NCc1ccc(F)cc1 4512856 YJUUKFOTPMKADN-UHFFFAOYSA-N 233.250 1.610 30 50 BDEA Cc1scc(/C(O)=N/[C@@H](CO)C(=N)O)c1C 330702710 KBJBUHBLQRLXJP-QMMMGPOBSA-N 242.300 1.566 30 50 BDEA CC(=O)N[C@@](C)(C#N)Cc1ccccc1F 584879938 PSLADMKLNPXUAZ-GFCCVEGCSA-N 220.247 1.787 30 50 BDEA Cc1ccc(N2CCNCC2)c(C#N)c1 65337396 NLEPTNIELHABDX-UHFFFAOYSA-N 201.273 1.276 30 50 BDEA in-vitro c1ccc([C@@H]2OC[C@H]3OC[C@H]4O[C@H]4[C@@H]3O2)cc1 95495862 BYKNJRIVJRIKQC-SYLRKERUSA-N 234.251 1.267 30 50 BDEA in-vitro N#Cc1cccnc1N[C@@H]1CCN2CCCC[C@@H]12 222685001 WVPQGAVZZACZFW-OLZOCXBDSA-N 242.326 1.992 30 50 BDEA N#Cc1ccncc1N[C@H]1CC[C@@H](C(=O)O)C1 135583282 LAELRTPFNQCODQ-SCZZXKLOSA-N 231.255 1.618 30 50 BDEA Cc1nnc(C)n1/N=C\c1ccccc1F 5033095 HTHLIBMPVJUXKS-QPEQYQDCSA-N 218.235 1.916 30 50 BDEA CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C2C=O 253533456 PDACFFGDLNNNMM-ULKQDVFKSA-N 225.288 1.688 30 50 BDEA in-vitro CC[C@H](C)[C@@H](O)CNc1nccnc1C#N 264810315 OTARKVQIIWTIQB-WPRPVWTQSA-N 220.276 1.167 30 50 BDEA N#Cc1c(C=O)ccnc1Br 237975963 BHOICOVDIWJZON-UHFFFAOYSA-N 211.018 1.528 30 50 BDEA C=CCNC(=S)N/N=C/c1ccccc1 1799663 GQTBWVQAGAJPFK-UKTHLTGXSA-N 219.313 1.671 30 50 BDEA CC(=O)[C@@H](C)Sc1ncc(C#N)cn1 1388218 KKWJIFXHUJQYPR-SSDOTTSWSA-N 207.258 1.418 30 50 BDEA CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1C1CC1 242197045 XHJADPWIDDUEOL-OUAUKWLOSA-N 206.289 1.841 30 50 BDEA Cc1nc(C#N)c(C#N)n1C[C@H]1CCCO1 135479136 VGBFADBCTICMHE-SECBINFHSA-N 216.244 1.114 30 50 BDEA CCN/C(=C\C(=O)C(F)(F)F)OCC 79387476 QHTJTBAVCXYQJH-FNORWQNLSA-N 211.183 1.605 30 50 BDEA CCOCCCNc1ccc(C#N)nc1 131881278 NZQHAMDCBTUAQG-UHFFFAOYSA-N 205.261 1.792 30 50 BDEA Cn1nc(NC(=O)OC(C)(C)C)cc1C#N 261180435 DXLNXKILGTXOMZ-UHFFFAOYSA-N 222.248 1.639 30 50 BDEA CC(C)(C)OC(=O)N1CCC=CC(=O)C1 95698531 XCBYSHPEYBCENP-UHFFFAOYSA-N 211.261 1.753 30 50 BDEA in-vitro COC(=O)c1ccc(OC[C@H]2CO2)cc1 523624 GVMPCQYYYYFGMV-JTQLQIEISA-N 208.213 1.251 30 50 BDEA in-vitro N#Cc1ccc2ncc(Br)n2c1 3884534 UOQHWNPVNXSDDO-UHFFFAOYSA-N 222.045 1.968 30 50 BDEA in-vitro C=CCNC(=S)N(N)Cc1ccccc1 670418776 OAXSMJPCXGRCLO-UHFFFAOYSA-N 221.329 1.423 30 50 BDEA CC1(C)OB(c2ccnn2C2CC2)OC1(C)C 206064276 KCDXIJGKLSHKBL-UHFFFAOYSA-N 234.108 1.517 30 50 BDEA COC(=O)[C@@H]1C(=O)C=C(O)C[C@H]1c1ccccc1 3832768 LKFZUQQAAOFZFT-AAEUAGOBSA-N 246.262 1.974 30 50 BDEA N#C/N=C1/SCC(=O)N1c1ccccc1 100408994 ZYYQSTZPIKMJSD-ZRDIBKRKSA-N 217.253 1.603 30 50 BDEA CC#CC(=O)NCC1(OC)CCCCC1 283786909 OOSCAMAPJHUHAF-UHFFFAOYSA-N 209.289 1.475 30 50 BDEA O=CC12COCC(c3ccccc3)(C1)C2 2325904039 JUFKAQRJLLXXQW-UHFFFAOYSA-N 202.253 1.934 30 50 BDEA C=C/C(O)=N/CCc1noc(-c2ccccn2)n1 328598146 KKOLZPVPXKOOBD-UHFFFAOYSA-N 244.254 1.817 30 50 BDEA CCN/C(=N\C)NCc1nc(C)cs1 170621448 AEAUJZNGMCHWHG-UHFFFAOYSA-N 212.322 1.136 30 50 BDEA C=CCN1C(=O)c2ccc(C(=O)O)cc2C1=O 4200291 WVOXIWJWBBJKCZ-UHFFFAOYSA-N 231.207 1.167 30 50 BDEA in-vitro COC(=O)c1c(N)c(C#N)c2n1CCCC2 227043 GGBYQDAIPXZCSO-UHFFFAOYSA-N 219.244 1.065 30 50 BDEA CCOCCOS(=O)(=O)c1ccc(C)cc1 2170903 HXXNTEDKEYTYPD-UHFFFAOYSA-N 244.312 1.737 30 50 BDEA COC(=O)C[C@H](CC=O)NC(=O)OC(C)(C)C 137780872 QZIIRPKRWDCOAY-QMMMGPOBSA-N 245.275 1.032 30 50 BDEA C[C@H]1CN(C(=O)c2ccccc2)CCN1CC#N 95495808 CEQYZJUTBLWYOG-LBPRGKRZSA-N 243.310 1.356 30 50 BDEA CC#CC(=O)N(CC(F)F)C[C@H]1CCC=CO1 1875363243 MPAHKKPDDXNHML-SNVBAGLBSA-N 243.253 1.796 30 50 BDEA CC1(C)OB(c2ccc(C=O)s2)OC1(C)C 169808083 OVGYVJMTHQRCDB-UHFFFAOYSA-N 238.117 1.860 30 50 BDEA in-vitro N#CC(C#N)=NNc1ccc2c(c1)OCCO2 4390533 PFCPQIUIQKEVIV-UHFFFAOYSA-N 228.211 1.273 30 50 BDEA O=C(/C=C\c1ccncc1)c1ccc[n+]([O-])c1 4531800 IXIMHJWDZGYUCX-ARJAWSKDSA-N 226.235 1.611 30 50 BDEA C=C(C)CSc1nnc(-c2ccccn2)n1N 527424 MOEACYOWHIHEKJ-UHFFFAOYSA-N 247.327 1.722 30 50 BDEA O=C1C(O)=C(O)C(=O)c2nc3ccccc3nc21 100808444 ADXGUJPMVBJHFH-UHFFFAOYSA-N 242.190 1.336 30 50 BDEA C#CCOc1cc([N+](=O)[O-])ccc1OC 8855245 NOQXZRFEQHNLDE-UHFFFAOYSA-N 207.185 1.615 30 50 BDEA N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1 169699 ZDSSWGOAKPAKBU-UHFFFAOYSA-N 201.185 1.801 30 50 BDEA COC[C@@](C)(C#N)/N=C(/O)c1ccsc1 331018239 IFABXCSDEDDATN-SNVBAGLBSA-N 224.285 1.981 30 50 BDEA COc1cc(C#N)cnc1Br 263623563 INGPCFJNFJJABC-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA Cc1nc(Cl)c(CC=O)c(Cl)n1 66323430 KULBLNIRDCOBGT-UHFFFAOYSA-N 205.044 1.833 30 50 BDEA in-vitro C#CCCC1(CCC(=O)N2CCCOCC2)N=N1 952880637 CTTVMGPZJYWZHY-UHFFFAOYSA-N 249.314 1.591 30 50 BDEA CC#CCNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875394202 YLNUPTZIBNAIOD-DTWKUNHWSA-N 247.298 1.185 30 50 BDEA Cc1ccc(B2OCC(C)(C)CO2)cc1 169807813 ZSPBWRPQSPRISS-UHFFFAOYSA-N 204.078 1.763 30 50 BDEA in-vitro CCOC(=O)C(=O)Nc1[nH]c(C)c(C)c1C#N 1558518 YKAHGYBTHQMWSV-UHFFFAOYSA-N 235.243 1.005 30 50 BDEA O=C(O)C[n+]1ccc(-c2ccncc2)cc1 5572623 ZKFOZIZQDKKOLK-UHFFFAOYSA-O 215.232 1.121 30 50 BDEA Cc1ccc(/C(O)=N/c2nn[nH]n2)cc1 6814219 YJAZSRORGRJYTE-UHFFFAOYSA-N 203.205 1.144 30 50 BDEA N#Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 4821038 MWIGUOZAYBXQFL-UHFFFAOYSA-N 229.199 1.106 30 50 BDEA O=[N+]([O-])c1cccc(/C(Cl)=N/O)c1 100009706 LSAGTJSJWCRWAZ-CLFYSBASSA-N 200.581 1.969 30 50 BDEA O=C1OCC(C(=O)c2ccccc2)=C1O 5034389 NOVCHAQCTFOLJB-UHFFFAOYSA-N 204.181 1.238 30 50 BDEA biogenic C[C@@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)cn1 133832265 LQRMGYGLFUUKAM-CMPLNLGQSA-N 247.298 1.559 30 50 BDEA C[C@@]1(c2ccc3c(c2)OCCO3)O[C@@H]1C#N 390238480 MHDHSZPYGUTIAC-NEPJUHHUSA-N 217.224 1.595 30 50 BDEA CC#CC(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 1875363246 MSNCJTYAWNTUQB-LBPRGKRZSA-N 245.326 1.461 30 50 BDEA CC1=C(C)CN(c2nccnc2C#N)CC1 253432421 YZSJIBUBDWRDIM-UHFFFAOYSA-N 214.272 1.895 30 50 BDEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccco1 281217609 DMZQQDWZUCBOME-ZYHUDNBSSA-N 235.283 1.991 30 50 BDEA N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](F)C2)c1 335454582 ZSRQONPSPMJITQ-RKDXNWHRSA-N 221.235 1.507 30 50 BDEA CNC(=S)NN=Cc1ccc2c(c1)CCC2 16980136 SSKZTZOOYQMGTL-UHFFFAOYSA-N 233.340 1.603 30 50 BDEA COc1ccc(C#N)cc1Cn1ccnn1 128077337 KUVTZZHTZCEOFH-UHFFFAOYSA-N 214.228 1.207 30 50 BDEA C=CCNS(=O)(=O)c1cc(F)ccc1OC 10301803 UUAOFBQCXISBSP-UHFFFAOYSA-N 245.275 1.299 30 50 BDEA CC[C@@]12OCC(C#N)(C#N)[C@@](C#N)(C(=N)O1)[C@@H]2C 136257158 QWJFDRXIBCJDET-XXILOJSOSA-N 244.254 1.310 30 50 BDEA N#Cc1cc(C(=O)O)cnc1C(F)(F)F 238853741 KPYGQTPIFSUUEL-UHFFFAOYSA-N 216.118 1.670 30 50 BDEA N#Cc1ccc(CN2CC[C@H](O)C2)cc1F 191995278 YDXUDWSUGLDAFV-NSHDSACASA-N 220.247 1.264 30 50 BDEA COc1ccc(CCNC(=O)CC#N)cc1 253845 AIXFPHMFCMZNNO-UHFFFAOYSA-N 218.256 1.268 30 50 BDEA in-vitro C=C(C)C[C@@H](C)C(=O)N=c1ccn(C)c(O)n1 585126960 MGXHSUXYIRQXRS-SECBINFHSA-N 235.287 1.155 30 50 BDEA Cc1cc(C#N)cc(N2CCC[C@@](F)(CO)C2)n1 376186571 GSPNKIPPSNKOIM-ZDUSSCGKSA-N 249.289 1.563 30 50 BDEA Cc1cc(C)c(C#N)c(SCC(N)=O)n1 206658 KZKDITWOGBNWAH-UHFFFAOYSA-N 221.285 1.148 30 50 BDEA CCOC(=O)[C@@]12C[C@H]1/C(=N\O)c1ccccc1O2 100058093 FXCTZFMSAHZQTR-IYRVQLEXSA-N 247.250 1.579 30 50 BDEA in-vitro CN(C)[C@H]1CCCN(c2cccc(C#N)n2)CC1 72143029 WTXQQZIFSDGRSV-ZDUSSCGKSA-N 244.342 1.874 30 50 BDEA CC(C)(C#N)CNC(=O)N1CCC[C@H]1CF 334575604 MGOYDLDPSIMLGB-VIFPVBQESA-N 227.283 1.680 30 50 BDEA CC1(C)OB([C@@H]2CCOC(=O)C2)OC1(C)C 231128134 PHRZZLLLMBDNOT-MRVPVSSYSA-N 226.081 1.786 30 50 BDEA O=C1C=C(Cl)C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 239338988 LNRANVGBMBSCMY-DWAQLAQLSA-N 208.644 1.699 30 50 BDEA C=CCOC(=O)c1ccc(NC(C)=O)cc1 2815063 FWTDFDTWITYAEW-UHFFFAOYSA-N 219.240 1.988 30 50 BDEA N=c1ccc2c([nH]1)N/C(=C1/C=C(F)C=CC1=O)N2 1875365410 PDYQMHVBRVGJSG-XFFZJAGNSA-N 244.229 1.535 30 50 BDEA CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O 203589810 GARRLDCODNEYEC-UHFFFAOYSA-N 249.119 1.167 30 50 BDEA in-vitro O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CO1 1875372994 RFMHQSMPWSCEBM-SRVKXCTJSA-N 217.268 1.305 30 50 BDEA O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CO1 1875373041 SIAZPUXRQSUSEU-SECBINFHSA-N 229.638 1.494 30 50 BDEA N#Cc1ccc(N2CCC2)c([N+](=O)[O-])c1 12516724 JLDIGYWLHPTPQG-UHFFFAOYSA-N 203.201 1.677 30 50 BDEA COc1ccc(/C=N/n2cnnc2)c(OC)c1 229072 FXHSNCBDTMOVKY-MKMNVTDBSA-N 232.243 1.178 30 50 BDEA C=CCOc1c(C)cc(C(N)=O)cc1C 1670342 DHWBEZQYPSVZGA-UHFFFAOYSA-N 205.257 1.967 30 50 BDEA C[C@@]1(C(=O)O)CCN(c2cnccc2C#N)C1 135581015 BZTPTGZTYMOUTB-GFCCVEGCSA-N 231.255 1.254 30 50 BDEA CCCCN/C(N)=N/C1CC(OCC)C1 253393028 WDAPWJFQRVOAKH-UHFFFAOYSA-N 213.325 1.258 30 50 BDEA CC(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 198099681 BHQPQHXVDKDEKK-UHFFFAOYSA-N 248.135 1.899 30 50 BDEA COc1ccc(/C=C/C=NNC(N)=S)cc1 245240263 ORFNREOSBWPYJL-VBTSKEPTSA-N 235.312 1.527 30 50 BDEA NC(=NO)C(=NO)c1nc2ccccc2s1 252678897 HIHRLZSGAOJULV-UHFFFAOYSA-N 236.256 1.221 30 50 BDEA CCn1cc(CN(C)C[C@H]2CCCO2)cc1C#N 826773295 FIMLGWPYLHXHIU-CQSZACIVSA-N 247.342 1.990 30 50 BDEA C#Cc1ccc(COC(=O)CCOCC)nc1 888099804 YBVOAFVCYKZBFO-UHFFFAOYSA-N 233.267 1.533 30 50 BDEA N#Cc1c(N)nn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1N 1775992169 KAKILKXAUUEZRY-DJLDLDEBSA-N 229.287 1.131 30 50 BDEA COc1cc(/C=N/n2c(C)nnc2C)ccc1O 228448 XJLFGSJMVYGIPV-NTUHNPAUSA-N 246.270 1.491 30 50 BDEA biogenic C=CCCCCNC(=O)N1CC[C@@H](C)[C@@H]1CO 252487020 HQNCLEUKNIATCN-NEPJUHHUSA-N 240.347 1.755 30 50 BDEA C#CCCCN1C(=O)c2ccccc2C1=O 12955504 YNZIPXLLPFYDGM-UHFFFAOYSA-N 213.236 1.696 30 50 BDEA in-vitro COc1ccc(/C=N/N2CCN(C)CC2)cc1 4933402 KFEMZYLXBHGTJJ-SDNWHVSQSA-N 233.315 1.277 30 50 BDEA N#C[C@@H]1C(=O)NC(=O)[C@@H](C#N)C1C1CCCCC1 2187231 WMZXODFFONLYGA-UWVGGRQHSA-N 245.282 1.119 30 50 BDEA C#CCSc1nc2ccccc2c(=O)n1C 2179074 OONDXSPVVRLNSG-UHFFFAOYSA-N 230.292 1.659 30 50 BDEA N/C(CC(=O)Nc1ccccc1Cl)=N\O 3886460 ISAQYFYVRMYXTH-UHFFFAOYSA-N 227.651 1.415 30 50 BDEA in-vitro O=S(=O)(/N=C(\O)C(F)(F)F)C(F)(F)F 38863679 CFYBHDCZEADVJH-UHFFFAOYSA-N 245.100 1.355 30 50 BDEA C=C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)O 44857530 RFAQWADNTLIWMG-CPCISQLKSA-N 227.260 1.540 30 50 BDEA c1ccc(CCB2OCCNCCO2)cc1 197249440 NYYNBCZSIYCXIZ-UHFFFAOYSA-N 219.093 1.354 30 50 BDEA C=CC(=O)N(C)[C@@H](C#N)C1(SC)CC1 1875290233 HUAODYQJPUUMTI-QMMMGPOBSA-N 210.302 1.419 30 50 BDEA C#CCN(C)C(=O)Cc1cc(F)ccc1OC 191081103 PANNDGYSIPAHOR-UHFFFAOYSA-N 235.258 1.468 30 50 BDEA CC#CCNC(=O)Nc1ccc(C(C)(C)C)nn1 225508133 YBLXAINYHBZMSD-UHFFFAOYSA-N 246.314 1.919 30 50 BDEA O=C1CSC(=S)N1/N=C/c1ccccc1 1203563 JSDMGFHQRBMZJS-IZZDOVSWSA-N 236.321 1.881 30 50 BDEA Cc1n[nH]c(=S)n(/N=C/c2ccco2)c1=O 2597360 JCIODXDOCJZABZ-BJMVGYQFSA-N 236.256 1.085 30 50 BDEA CSc1nc(N)c(C#N)c(SC)n1 337092 UMLJRQHCHCJUKT-UHFFFAOYSA-N 212.303 1.374 30 50 BDEA Cn1cnc2nc(-c3cccc(C#N)c3)ncc21 2100557189 XWFVGHRDHJHZNH-UHFFFAOYSA-N 235.250 1.902 30 50 BDEA C=CCC[C@@H](C)N[C@@H](C)C(=O)N1CCOCC1 130582675 AIBVYOIAJFLUIT-NEPJUHHUSA-N 240.347 1.178 30 50 BDEA CS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 72266200 LWMHTNWNGBLUTB-UHFFFAOYSA-N 249.213 1.981 30 50 BDEA CCOc1ccc(/C=N/n2cnnc2)cc1 61074 NOXFVNDTPNQUDJ-VGOFMYFVSA-N 216.244 1.559 30 50 BDEA CC1(C)OB(CCC2OCCO2)OC1(C)C 169746483 DNBRLKJRBDIKOO-UHFFFAOYSA-N 228.097 1.842 30 50 BDEA Cc1cc(N2CCC(C)(CN)CC2)ncc1C#N 2325777117 DIPPUTWXMZBYCO-UHFFFAOYSA-N 244.342 1.827 30 50 BDEA N#CCS(=O)(=O)Cc1ccc(F)cc1 120696 IZEHAEXXALJLQR-UHFFFAOYSA-N 213.233 1.264 30 50 BDEA C=CCC[C@H](C)NC[C@@H]1CCCS1(=O)=O 126882601 KGZDGMSGBYFKGC-QWRGUYRKSA-N 231.361 1.508 30 50 BDEA OCC#CCSc1nc2ccccc2o1 2481490 YXHLCFDNKBIQRJ-UHFFFAOYSA-N 219.265 1.916 30 50 BDEA biogenic C[C@@H]1[C@H]2C[C@@H](C/C2=N\NC(N)=S)C1(C)C 141832922 FFVDDDDYYODYEL-ZJXKHFMXSA-N 225.361 1.878 30 50 BDEA N/C(COc1ccc2ccccc2c1)=N\O 6342718 WKSSGLYFMZVCIQ-UHFFFAOYSA-N 216.240 1.965 30 50 BDEA in-vitro CNC(=O)Oc1cccc(/N=C/N(C)C)c1 18168858 RMFNNCGOSPBBAD-MDWZMJQESA-N 221.260 1.626 30 50 BDEA in-vitro C=CCNC(=O)c1cc2ccccc2oc1=O 2807140 JJEHJGQFUORYGU-UHFFFAOYSA-N 229.235 1.709 30 50 BDEA C=CCO/N=C/C1C(=O)CC(C)(C)CC1=O 100319858 HZWMFFXLNDVJDJ-MDWZMJQESA-N 223.272 1.749 30 50 BDEA COC(=O)[C@@]1(C)O[C@H]1c1ccc2c(c1)OCO2 231226609 NEWFBAYQRLTJTP-JQWIXIFHSA-N 236.223 1.418 30 50 BDEA N#Cc1nccnc1N[C@H]1CCc2[nH]ncc2C1 301299004 UCIFJCBPVRFANY-VIFPVBQESA-N 240.270 1.041 30 50 BDEA C[C@@H]1O[C@H](C)CN(c2cnc(C#N)cn2)[C@@H]1C 408444378 SNGGQAPXPIIMRQ-BBBLOLIVSA-N 232.287 1.350 30 50 BDEA N#Cc1c(F)c(F)c(C#N)c(F)c1F 388052 PCRSJGWFEMHHEW-UHFFFAOYSA-N 200.094 1.986 30 50 BDEA in-vitro CN(CC1(CO)CC1)c1ccc(C#N)nc1 275387858 CIRZMZIXNDHICO-UHFFFAOYSA-N 217.272 1.162 30 50 BDEA COc1cc2c(C#N)c[nH]c(=O)c2cc1OC 149283364 VCJUYHSVVQIYBW-UHFFFAOYSA-N 230.223 1.417 30 50 BDEA C#CCOC(=O)c1ccc(C(=O)OCC#C)cc1 1605860 HZTNYDWTDTYXQC-UHFFFAOYSA-N 242.230 1.267 30 50 BDEA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC#N 247848747 QGQOPXUGUQJGBN-TUAOUCFPSA-N 236.315 1.706 30 50 BDEA COc1ccc([C@@]2(C)O[C@@H]2C#N)c(OC)c1 309510684 TURGEJKDKJHGRW-VXGBXAGGSA-N 219.240 1.841 30 50 BDEA C[C@@H](C#N)CNC(=O)N1CCC(CF)CC1 334795945 WFTWHTLOCYXPLM-VIFPVBQESA-N 227.283 1.537 30 50 BDEA C=CCNS(=O)(=O)Cc1ccc(F)cc1 12343805 AUHYDKNWUMXNJW-UHFFFAOYSA-N 229.276 1.431 30 50 BDEA C[C@@H](NCC(C)(C)C(N)=O)c1cccc(C#N)c1 183643297 KSDFGFWTCQKQNS-SNVBAGLBSA-N 245.326 1.720 30 50 BDEA COc1ncccc1B1OC(C)(C)C(C)(C)O1 169745938 JEJYNUCGRAHMDO-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA in-vitro O=C1CS/C(=N\N=C2CCCCC2)N1 12341832 VUXBJWFSWFTRJX-UHFFFAOYSA-N 211.290 1.526 30 50 BDEA C=CCn1cc(Cl)c(=O)n(CC=C)c1=O 195064 FKWSXIMASHEPSN-UHFFFAOYSA-N 226.663 1.035 30 50 BDEA Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1 1058517 DVWAHDZJNLUHIL-UHFFFAOYSA-N 240.270 1.572 30 50 BDEA C=CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)O 65356670 KEMMBAWJCLAWOK-QMMMGPOBSA-N 229.276 1.788 30 50 BDEA Cn1ccc2ccc(OC[C@@H]3CO3)cc21 1875379501 ROFNRWMBUUTHOF-LLVKDONJSA-N 203.241 1.956 30 50 BDEA CC1(C)OB(c2ccsc2CO)OC1(C)C 170023605 IUICGXJAVAVYQQ-UHFFFAOYSA-N 240.133 1.540 30 50 BDEA C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C2CC2)O1 408522617 KPRTWHOMFBLPJZ-MWLCHTKSSA-N 244.298 1.352 30 50 BDEA C#C[C@H](NC(=O)NCCOCC(=C)C)C(C)C 225593082 ZOMUWAPKPWTIJT-LBPRGKRZSA-N 238.331 1.536 30 50 BDEA C=C(C)C[C@]1(CC)C(=O)NC(=S)N=C1O 17819960 XMQICEWOKPEQRG-UHFFFAOYSA-N 226.301 1.720 30 50 BDEA in-vitro N#Cc1cccnc1N[C@H]1CCn2nccc2C1 585382153 CKQJEIFONVGKQF-NSHDSACASA-N 239.282 1.577 30 50 BDEA CC(=O)Nc1cccc2c1C[C@@H]1O[C@H]1C2 100993169 LNLYKHUYGFIZOO-RYUDHWBXSA-N 203.241 1.511 30 50 BDEA Cc1ccc(CO)cc1B1OC(C)(C)C(C)(C)O1 170031262 VJQANZAODCQHCN-UHFFFAOYSA-N 248.131 1.787 30 50 BDEA Cc1cnc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)[nH]1 426522950 PQXLIHQJWSKLLQ-MRVPVSSYSA-N 243.270 1.409 30 50 BDEA N#CC1(C(=O)N2CC[C@@H](C(=O)O)C2)CCCC1 237946406 WNHRZSLGQBFYIL-SECBINFHSA-N 236.271 1.003 30 50 BDEA N#CCNC(=O)c1c[nH]nc1C1CCCCC1 1775988393 QUHHAYWKWHAKOE-UHFFFAOYSA-N 232.287 1.711 30 50 BDEA CC(C)(C)OC(=O)Nc1cnc(N)c(C#N)c1 54957046 OEKQZSLBKCYUKX-UHFFFAOYSA-N 234.259 1.882 30 50 BDEA in-vitro C#CCN(C)C(=O)C[C@@H]1OCCc2ccccc21 191030874 ZNBBFJSKHIAODW-AWEZNQCLSA-N 243.306 1.782 30 50 BDEA N#Cc1cc(Br)ccc1CC(=O)O 217057425 RHTXWPDOAUPYHW-UHFFFAOYSA-N 240.056 1.948 30 50 BDEA in-vitro C=CCOC(=O)C[n+]1csc2ccccc21 5495011 IBJZUIQQAURDMV-UHFFFAOYSA-N 234.300 1.918 30 50 BDEA COC(=O)c1ccc(C(=O)CC#N)cc1 155085 CTZGTFNYYYZXTE-UHFFFAOYSA-N 203.197 1.570 30 50 BDEA in-vitro C#CCN1CCC[C@@H](OCC(F)F)C1 1857786722 SIRFLXMVYQNQRX-SECBINFHSA-N 203.232 1.366 30 50 BDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CO 204598872 BGWBPOSVIJKTMI-UHFFFAOYSA-N 248.131 1.787 30 50 BDEA in-vitro COc1ccc2c3c(cccc13)C(=O)N(O)C2=O 2857491 JNZJPCRGQNFNFC-UHFFFAOYSA-N 243.218 1.834 30 50 BDEA COC(=O)c1cc2occc2n1C[C@@H]1CO1 6145366 KPCBGSKAJBPGBU-SSDOTTSWSA-N 221.212 1.420 30 50 BDEA Cn1cc(CN2C[C@H](C3CC3)[C@@H](N)C2)cc1C#N 91526382 IQRHHSLGDMQXDP-KGLIPLIRSA-N 244.342 1.066 30 50 BDEA O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2C=C[C@H]21 254517128 BNYIXTDUIJYRGD-UBYQNTNUSA-N 212.248 1.545 30 50 BDEA CC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 170618857 QJQXONMXSBOGSW-ZETCQYMHSA-N 206.249 1.152 30 50 BDEA in-vitro C=CCNC[C@H](O)COc1ccccc1OC 16648438 OOXOJCLWFFQCPT-NSHDSACASA-N 237.299 1.211 30 50 BDEA C[C@H]1CC(=O)NCCN1Cc1cccc(C#N)c1 371184854 PNEZSWWTGXCHDQ-NSHDSACASA-N 243.310 1.269 30 50 BDEA C[C@@H]1C[C@@H](C(F)F)n2ncc(C#N)c2N1 2783400 PZTDOZPYZTUGGM-VDTYLAMSSA-N 212.203 1.765 30 50 BDEA COc1ccccc1C[C@@]1(C)O[C@@H]1C#N 306339598 KJJINABAZNYPJW-VXGBXAGGSA-N 203.241 1.919 30 50 BDEA N/C(=N/O)c1cccc(OC(F)(F)F)c1 39712885 GDEBBTWHSBXNJB-UHFFFAOYSA-N 220.150 1.680 30 50 BDEA in-vitro Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1C#N 38537122 JDSITPIWVFGILP-UHFFFAOYSA-N 243.226 1.543 30 50 BDEA in-vitro C=C(C)CN1CCN(c2noc(C3CC3)n2)CC1 1506408494 SUPMDFZWANAQNF-UHFFFAOYSA-N 248.330 1.645 30 50 BDEA O=C1CS/C(=N/N=C/c2ccc(F)cc2)N1 381251 ZVDGUFJKSDBCDL-LFYBBSHMSA-N 237.259 1.379 30 50 BDEA N#C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CCO1 122059028 KUTPHCLXLCRQCO-NSHDSACASA-N 234.299 1.174 30 50 BDEA C#CCNC(=O)c1ccc(Br)cc1 5112374 PIBNSCVOQQZLNJ-UHFFFAOYSA-N 238.084 1.812 30 50 BDEA CCN1CCN(c2cc(C#N)ccn2)CC1 19511879 NFIPWUNGOSCXHY-UHFFFAOYSA-N 216.288 1.095 30 50 BDEA C=CCN(CC=C)C(=O)c1cccnc1 5382736 ATFYLOORVHUBJA-UHFFFAOYSA-N 202.257 1.896 30 50 BDEA in-vitro N#Cc1cccnc1N1CCC(C(=O)O)CC1 22211442 DKBHQJLOWMRHHH-UHFFFAOYSA-N 231.255 1.254 30 50 BDEA CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 334453845 DPPNCMGDJDNFEM-UHFFFAOYSA-N 218.231 1.475 30 50 BDEA Cc1c(C#N)cccc1NC(=O)NN1CCCC1 239761246 CJHZMWGZSRCZEN-UHFFFAOYSA-N 244.298 1.999 30 50 BDEA N#C[C@@H]1COCCN1CCC(=O)c1ccccc1 182679163 DGIOCIHAJYUIDF-CYBMUJFWSA-N 244.294 1.484 30 50 BDEA CC#CC(=O)N1CCCc2n[nH]c(C)c21 1875367551 NMXRPVHVLISPHK-UHFFFAOYSA-N 203.245 1.021 30 50 BDEA N#CC1(c2ccccn2)CCC(N)CC1 1772715720 AJMYFWXAADWXFP-UHFFFAOYSA-N 201.273 1.744 30 50 BDEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N 169794292 KEMUFKXFCINKAA-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA in-vitro C=C(COc1ccc(C#N)cc1F)C(=O)O 232362654 FLUKSQRUONIONU-UHFFFAOYSA-N 221.187 1.717 30 50 BDEA C=CCNS(=O)(=O)Cc1cccc(Cl)c1 12343807 JSXMOUIUVPJZDO-UHFFFAOYSA-N 245.731 1.945 30 50 BDEA Cc1noc(C/N=C(/O)[C@H]2CCCO2)n1 328802031 ZPYFIUIYCGUUOW-SSDOTTSWSA-N 211.221 1.014 30 50 BDEA N#Cc1ccc(-c2nc([C@H]3CCCO3)no2)cn1 357105895 OKCZVUCQQCKFMT-SNVBAGLBSA-N 242.238 1.855 30 50 BDEA Cc1cc(N)cnc1B1OC(C)(C)C(C)(C)O1 170006015 KDRRMGWLULCWHU-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA C=CCOC(=O)NCc1cnn2ccccc12 72145732 NPPKCFRKIWIWBR-UHFFFAOYSA-N 231.255 1.747 30 50 BDEA Cc1cnn(-c2ccc(OC[C@H]3CO3)cc2)c1 1875379809 XKLZJUHNPYMACX-ZDUSSCGKSA-N 230.267 1.958 30 50 BDEA C=CC[C@H](C)[C@H](C)N1CCO[C@@H](C(=O)OC)C1 221786068 BMMYESWWAKQMGY-SDDRHHMPSA-N 241.331 1.461 30 50 BDEA N#Cc1ccc(-c2nccn2CCO)cc1 1875246634 DHVHPYLSAVDAEX-UHFFFAOYSA-N 213.240 1.414 30 50 BDEA N#CCCN1CCN(c2ccccc2)CC1 19474562 KTXUJUPSPCFJME-UHFFFAOYSA-N 215.300 1.722 30 50 BDEA Cc1nccn1CC(=O)N1CCC[C@@](C)(C#N)C1 670455097 FMPVNYKIURKIDH-ZDUSSCGKSA-N 246.314 1.344 30 50 BDEA C[C@@H](Oc1ccccc1)C(=O)N(CC#N)CC#N 30433 CDPGCXYVMRGFGB-LLVKDONJSA-N 243.266 1.330 30 50 BDEA CCC(C#N)(CC)C(=O)N[C@H](CCO)C(C)C 231084411 YMCIJASRDSQYJQ-LLVKDONJSA-N 240.347 1.840 30 50 BDEA CCC[C@]1(C(=O)OCC)O[C@@]1(C)COC 212099015 DVYQCXURJIAUED-WDEREUQCSA-N 216.277 1.524 30 50 BDEA CC1=C[C@H](C)[C@@H](/C=N/NC(=N)N)[C@H](C)C1 245380984 ZAIQQVUSAHLLDH-KTDCCSIHSA-N 208.309 1.694 30 50 BDEA O=C1C=C[C@@]23C[C@@H]4O[C@@H]4C[C@@]2(C1)C[C@@H]1O[C@@H]1C3 257359095 YLAHPFRJAQDBQQ-CNBUFKSASA-N 232.279 1.611 30 50 BDEA C=CCC(O)(CC=C)[C@@H](C)NCc1nccn1C 952960954 PCCFNOVGLMQFPS-GFCCVEGCSA-N 249.358 1.782 30 50 BDEA Cc1nc(N(C)CCc2cnc[nH]2)ccc1C#N 1775985540 LUMMVBPVJWQGRD-UHFFFAOYSA-N 241.298 1.664 30 50 BDEA C#CCNC(=O)c1ccccc1Br 12864984 WCSQRTUZSRZSKS-UHFFFAOYSA-N 238.084 1.812 30 50 BDEA COc1cccc(B2OC(C)(C)C(C)(C)O2)n1 169745941 VYWCRVNLPOVYJH-UHFFFAOYSA-N 235.092 1.389 30 50 BDEA N#Cc1cc(N2CCC[C@H](F)C2)ccn1 336355501 RRZHZWPGGJRGTP-VIFPVBQESA-N 205.236 1.892 30 50 BDEA CCCCCCCCC[C@H](O)[C@H](O)C(=O)O 101446943 JJIJQULYODNGKJ-QWRGUYRKSA-N 232.320 1.934 30 50 BDEA CC(=O)/C=C1/Nc2ccccc2NC1=O 101400981 BMQDJFLNVWOYKP-UXBLZVDNSA-N 202.213 1.524 30 50 BDEA C=CCN(C)C(=O)c1cnc(CC)nc1 65380773 NJGGNPXTNABSBE-UHFFFAOYSA-N 205.261 1.297 30 50 BDEA Cc1ccc(Cl)cc1NC(=O)C/C(N)=N/O 12462369 UPDYQGCBAWIVOK-UHFFFAOYSA-N 241.678 1.723 30 50 BDEA CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC1=O 40539563 NICVZJAVRBPUME-RMKNXTFCSA-N 240.303 1.252 30 50 BDEA CC(C)(/C=N/O)/N=[N+](\O)C(C)(C)/C=N/O 225407501 NTDNBQAJPTUGSZ-NXZHAISVSA-O 217.249 1.318 30 50 BDEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc[nH]1 62488 XXMGXKFAIDRWQE-OVCLIPMQSA-N 239.234 1.645 30 50 BDEA N#CCC(=O)Nc1cccc([N+](=O)[O-])c1 32398 YCDLCHVIKUNVHM-UHFFFAOYSA-N 205.173 1.447 30 50 BDEA in-vitro O=C(NCC1(c2ccccc2)CCC1)[C@H]1CO1 1875373178 VQAVLOYUOXWXRX-GFCCVEGCSA-N 231.295 1.623 30 50 BDEA C=C[C@@H]1CCN(C(=O)NCCc2cnc[nH]2)C1 426620309 XLISEKMKFLICOY-SNVBAGLBSA-N 234.303 1.170 30 50 BDEA Cc1cc(=O)[nH]c(N/N=C/c2ccccc2O)n1 14921575 XVDNTAIBZHGIAL-NTUHNPAUSA-N 244.254 1.230 30 50 BDEA CCOC(=O)[C@@H](C#N)C(=N)C(F)(F)F 207249986 KPADCPAHXODNAB-BYPYZUCNSA-N 208.139 1.271 30 50 BDEA CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N 170003950 BDDFXHJEXLHPEQ-UHFFFAOYSA-N 249.123 1.005 30 50 BDEA C#Cc1cc(C(=O)OC)cc(C(=O)OC)c1 34561253 RSSODPUFUQKWIK-UHFFFAOYSA-N 218.208 1.241 30 50 BDEA N#Cc1cccc(CN[C@H]2CCCN(O)C2=O)c1 585117005 ORKMQWFPLKCRGM-LBPRGKRZSA-N 245.282 1.028 30 50 BDEA N#CCn1nnc(-c2ccccc2F)n1 12375706 QCKHTRZDWVBHQU-UHFFFAOYSA-N 203.180 1.003 30 50 BDEA N#Cc1ncc(Br)cc1[N+](=O)[O-] 4245007 OBVYONPVHIOJJZ-UHFFFAOYSA-N 228.005 1.624 30 50 BDEA in-vitro COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 169904502 ZBAIVVLJZQNXNJ-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA C#C[C@H](N[C@@H]1CC[C@@H](C)C1)[C@H]1CCCO1 253370722 VFBFWHCAKXKXKZ-FVCCEPFGSA-N 207.317 1.945 30 50 BDEA N#Cc1ccccc1NC(=O)CCCC(=O)O 154756 LOZXDWGSQRJCPC-UHFFFAOYSA-N 232.239 1.752 30 50 BDEA CC1(C)OB(c2cccc3c2NCC3)OC1(C)C 170005761 LLYWNYSNVJPKHA-UHFFFAOYSA-N 245.131 1.954 30 50 BDEA COc1ncc(NCc2cc(C)on2)cc1C#N 952992054 IRRNPYIUMLJHTF-UHFFFAOYSA-N 244.254 1.870 30 50 BDEA COc1ncc(Cl)c(=NCC(C)(C)C#N)[nH]1 393809356 SJXGJMURRMTUJD-UHFFFAOYSA-N 240.694 1.522 30 50 BDEA CC1(C)OB(c2cccc([N+](=O)[O-])c2)OC1(C)C 169747490 JWEAFTZTLIGAQU-UHFFFAOYSA-N 249.075 1.894 30 50 BDEA in-vitro COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1 169747194 CWJKZNNXSPVPAY-UHFFFAOYSA-N 249.119 1.698 30 50 BDEA in-vitro CCc1ccncc1B1OC(C)(C)C(C)(C)O1 206115495 UMTCATCTKZVZRN-UHFFFAOYSA-N 233.120 1.943 30 50 BDEA COc1cc(N)cc(B2OC(C)(C)C(C)(C)O2)c1 224316471 GGIFQELWQHTNGX-UHFFFAOYSA-N 249.119 1.577 30 50 BDEA CO[C@H]1CCc2c(sc(N)c2C#N)C1 238357575 QHJAFTPWGIVJEJ-LURJTMIESA-N 208.286 1.706 30 50 BDEA in-vitro C#Cc1ccc(C(=O)NCCN(C)CC)cc1 1266306331 MSJVODBSASQDAQ-UHFFFAOYSA-N 230.311 1.349 30 50 BDEA C=C1C[C@@H]1CNc1nccc(=NC[C@@H]2CC2=C)[nH]1 2325784317 SUMSOFGTAFHSGI-NWDGAFQWSA-N 242.326 1.875 30 50 BDEA COC(=O)C[n+]1ccc(-c2ccncc2)cc1 3160345 YJKODOYWLJPEJJ-UHFFFAOYSA-N 229.259 1.209 30 50 BDEA N#Cc1ccc(N2CCO[C@@H](CF)C2)cc1 334584646 NNPGDQPSVKBKMN-LBPRGKRZSA-N 220.247 1.733 30 50 BDEA CC(=NO)c1ccc(NS(C)(=O)=O)cc1 254566337 KMCJFKOUJJEHMP-UHFFFAOYSA-N 228.273 1.256 30 50 BDEA COc1ccc(C=NOCC(=O)O)cc1 252448121 SHNNDTPBBAXFPC-UHFFFAOYSA-N 209.201 1.130 30 50 BDEA C=CCNC(=O)CN[C@H]1CC(C)(C)C[C@H]1C 193146139 HVKVDVOLCZNDGD-MNOVXSKESA-N 224.348 1.703 30 50 BDEA C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O 4155015 KQHCKZOYLGMBLE-LQGZHCLWSA-N 233.296 1.628 30 50 BDEA O/N=C(/Cn1cccn1)c1ccccc1 6337348 JCFGIQDGEVEYRN-QBFSEMIESA-N 201.229 1.762 30 50 BDEA Cc1c(C#N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 14984886 FJPAWDYXHVKZRC-UHFFFAOYSA-N 207.145 1.683 30 50 BDEA in-vitro CCc1c(C(=O)NO)cnn1-c1cccc(C)c1 671997752 LJDURYAJQUPHNR-UHFFFAOYSA-N 245.282 1.862 30 50 BDEA Cc1nsc(N[C@H]2C[C@@](C)(O)C2)c1C#N 591369369 JMDJUCGKPLBNFQ-WKFQBHICSA-N 223.301 1.649 30 50 BDEA C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101743865 VYQODKJEXGSTJT-DBIOUOCHSA-N 229.279 1.370 30 50 BDEA C=CCSCC(=O)NC[C@H]1CCCN(C)C1 67855617 NHXWTZBSCXAMNN-LLVKDONJSA-N 242.388 1.364 30 50 BDEA C=C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O 44857529 RFAQWADNTLIWMG-WRWORJQWSA-N 227.260 1.540 30 50 BDEA C[C@@H](CNC(=O)[C@H]1CO1)c1cccc(F)c1 1875372410 FSFPMCDHJRINDZ-GZMMTYOYSA-N 223.247 1.444 30 50 BDEA O/N=C/c1ccc(N2CCOCC2)cc1 34086 COWCZKTVODJKQZ-FMIVXFBMSA-N 206.245 1.331 30 50 BDEA in-vitro CC(C)c1ccc(/C=N/NC(N)=S)cc1 5453786 GCIARVDJUYGSFQ-NTUHNPAUSA-N 221.329 1.977 30 50 BDEA CN1C[C@@H]2CCc3ccccc3[C@@]2(O)[C@@H](C#N)C1 4502115 NLKVUWURUUEGKV-YDHLFZDLSA-N 242.322 1.522 30 50 BDEA biogenic,in-vitro C[C@H]1CCCC/C1=N\NS(C)(=O)=O 4989756 MYBKPXYOSITVRL-MXMZYCHESA-N 204.295 1.102 30 50 BDEA C/N=C(/S)N1CCc2ccccc2C1 8830271 JVKOZUOEFQVOMI-UHFFFAOYSA-N 206.314 1.960 30 50 BDEA CC(C)N(CC#CCO)Cc1ccccc1 55502027 UXTVHJWHPRYUFK-UHFFFAOYSA-N 217.312 1.893 30 50 BDEA NC(N)=Nc1nc(-c2ccc(F)cc2)cs1 20153796 GAZYMAJQNHBTPM-UHFFFAOYSA-N 236.275 1.854 30 50 BDEA C=CCCCN1CCS(=O)(=O)CC1(C)C 253416935 SNHGMESGSHJYEY-UHFFFAOYSA-N 231.361 1.462 30 50 BDEA CN/C(S)=N/S(=O)(=O)c1ccc(C)cc1 71774212 VCYAHALJFVKKJC-UHFFFAOYSA-N 244.341 1.189 30 50 BDEA C[C@@H](CO[C@H]1CCOC1)Nc1ccc(C#N)nc1 133816908 IHCXAKUJIUUOJO-GWCFXTLKSA-N 247.298 1.559 30 50 BDEA O=C1C[C@H](c2ccccc2)CC(=NO)C1=NO 245240460 UFWIQFLJKIESDI-SECBINFHSA-N 232.239 1.794 30 50 BDEA N#Cc1ccnc(N[C@@H]2C[C@H]3CC[C@H]2O3)c1 250232790 BQEQOYQWGPWPOC-GMTAPVOTSA-N 215.256 1.685 30 50 BDEA C#CCCCOc1ncccc1C(=O)O 263625023 WBVWLQFIPBZIQV-UHFFFAOYSA-N 205.213 1.572 30 50 BDEA CC#CC(=O)N[C@@H](C)CCc1cccn1C 277601600 HABWGOWTACCMRM-NSHDSACASA-N 218.300 1.486 30 50 BDEA CC1(C)OB(c2cc(C3CC3)no2)OC1(C)C 575596970 INVJNDNNDXDDON-UHFFFAOYSA-N 235.092 1.851 30 50 BDEA C#C[C@H](C)OC(=O)c1cccc(CN(C)C)c1 253424118 ARFZKNUZYXNPCT-NSHDSACASA-N 231.295 1.927 30 50 BDEA O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CO1 1875373404 ZZFRSHUTLMMBDL-UPJWGTAASA-N 231.295 1.838 30 50 BDEA C=CCC1(O)CN(Cc2ncc(Cl)s2)C1 1462667948 XLDJWQCCDPHKLM-UHFFFAOYSA-N 244.747 1.919 30 50 BDEA CCC(C)(C)NC(=O)c1ccc(C#N)[nH]1 155053275 CQMLIDJDDQAWAY-UHFFFAOYSA-N 205.261 1.805 30 50 BDEA Cn1cc(I)c(CC#N)n1 1857780346 RRDPOWRBXCZINK-UHFFFAOYSA-N 247.039 1.091 30 50 BDEA CCCCCCCC(=O)OC[C@H](O)CO 2516268 GHBFNMLVSPCDGN-SNVBAGLBSA-N 218.293 1.243 30 50 BDEA biogenic,world NC(=O)c1ccc(C#Cc2ccccc2)o1 3124657 SRAFAIRPBDOINU-UHFFFAOYSA-N 211.220 1.778 30 50 BDEA biogenic O=C(N[C@H]1CCCCc2ccccc21)[C@H]1CO1 1875373305 YDJDIGNXTSMRNY-QWHCGFSZSA-N 231.295 1.969 30 50 BDEA CC#CC(=O)NCC=C1CCSCC1 1875370478 QCWTWMXBIUWZGM-UHFFFAOYSA-N 209.314 1.579 30 50 BDEA c1cnn(-c2ccc(OC[C@@H]3CO3)cc2)c1 1875378363 BBSMMZZYXCKVMZ-GFCCVEGCSA-N 216.240 1.650 30 50 BDEA N#Cc1cncnc1NCC1CCSCC1 304471096 IIKDGNLBAZYFFB-UHFFFAOYSA-N 234.328 1.903 30 50 BDEA Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CCOC2)n1 598853086 LJJSKUPKBSKGSA-SNVBAGLBSA-N 245.282 1.545 30 50 BDEA CC(C)c1ccc(C=NNC(N)=S)cc1 16893553 GCIARVDJUYGSFQ-UHFFFAOYSA-N 221.329 1.977 30 50 BDEA N#CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 121172219 SDPDIXBGJAMAHU-BXKDBHETSA-N 238.237 1.596 30 50 BDEA C[C@H](Nc1cc(C#N)ccn1)C(=O)NC(C)(C)C 127479332 PLNQBUBKLDNPEZ-VIFPVBQESA-N 246.314 1.668 30 50 BDEA C=CCN(CCC(=O)OC)C(=O)OC(C)(C)C 38235514 HRDFVJTVCHNIDL-UHFFFAOYSA-N 243.303 1.973 30 50 BDEA C[C@@H]1CCN(C(=O)CC#N)CC1(F)F 335685085 WKLFABUPJSBQDZ-SSDOTTSWSA-N 202.204 1.404 30 50 BDEA Cc1c(CN(C)CC2(C)COC2)cc(C#N)n1C 826771119 ALHAJMCOLNOCOC-UHFFFAOYSA-N 247.342 1.674 30 50 BDEA CC(C)N1C=C(C(=O)O)C(=O)[C@@H]2C=CC=C[C@H]21 584904466 MLYWEMXZEYVBLB-MWLCHTKSSA-N 233.267 1.359 30 50 BDEA CCOC(=O)/C(CC(=O)CC(C)C)=N\O 1775937610 VIDOQDMCQDGYBH-LUAWRHEFSA-N 215.249 1.385 30 50 BDEA C/C(=N\NC(N)=S)c1ccc([N+](=O)[O-])cc1 15133824 LLXZVONSOWGFJC-IZZDOVSWSA-N 238.272 1.152 30 50 BDEA N#Cc1ccc(NC(=O)/C=C\C(=O)O)cc1 16134180 RPHFOECPERWGCT-WAYWQWQTSA-N 216.196 1.138 30 50 BDEA CC[C@H]1CN(c2nc(C#N)ncc2C)CCN1C 1875290029 KJCWNSUHAIDHJM-NSHDSACASA-N 245.330 1.187 30 50 BDEA C=CCNC(=O)c1sc(=S)n(CC)c1N 2533411 DHKWUZURZXZIQS-UHFFFAOYSA-N 243.357 1.797 30 50 BDEA O=[S@]1OC[C@H](COc2ccc(Cl)cc2)O1 71776860 MYZBYHKKLQVZRQ-BJOHPYRUSA-N 248.687 1.713 30 50 BDEA CN1CCC[C@H](NC(=O)[C@H]2CO2)c2ccccc21 1875372759 MGWKQJHGMITILX-WCQYABFASA-N 246.310 1.473 30 50 BDEA COc1ccc(OC)c(/C=N/CCO)c1 2143519 BPNRMMDRJPCABI-XYOKQWHBSA-N 209.245 1.115 30 50 BDEA Cc1cc(C#N)nc(N2CCC[C@H]2C)n1 231897566 SHIQNBLPPNSVCV-SECBINFHSA-N 202.261 1.645 30 50 BDEA C=CCNCc1cc(OC)c(OC)cc1OC 6703999 YLLNXKOVWHFDKI-UHFFFAOYSA-N 237.299 1.988 30 50 BDEA FC(F)(F)C(F)(F)COC[C@H]1CO1 16082650 ABTNQISXTOWQTC-BYPYZUCNSA-N 206.110 1.599 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC2=NO 380289238 ACQUHAODYILYFJ-SFYZADRCSA-N 226.276 1.846 30 50 BDEA Cc1nc(NCc2cc(C#N)cs2)n(C)n1 162435619 LGHHJJCZSMIZJC-UHFFFAOYSA-N 233.300 1.669 30 50 BDEA CN(C)CCOc1ccc(/C=N/O)cc1 11798995 DEXZRCKPQVKBAU-FMIVXFBMSA-N 208.261 1.435 30 50 BDEA C/N=C(\S)N1CCN(c2ccccn2)CC1 8829854 BXUVFXRKIAQWMJ-UHFFFAOYSA-N 236.344 1.119 30 50 BDEA CSC(=S)N/N=C/c1ccc(O)cc1 284213 JJYIZRFPOMCRJR-UXBLZVDNSA-N 226.326 1.964 30 50 BDEA CCOC(=O)C(=O)[C@H](C#N)c1ccccc1 1663914 YWNRATDDUSMBPR-SNVBAGLBSA-N 217.224 1.426 30 50 BDEA O=C1C=CC(=O)C2=C1[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21 101046679 GEHCNIXIVQUQPV-XKNYDFJKSA-N 210.232 1.609 30 50 BDEA CCOC(=O)C(=O)c1ccc(C#N)c(F)c1 85650775 GJYJVZGZYKLMGB-UHFFFAOYSA-N 221.187 1.443 30 50 BDEA CC1(C)OB(c2cccc(N)c2F)OC1(C)C 199952683 JQYPICYMRVGSCU-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA N#Cc1cc(O)c(Br)cc1C(=O)O 263623660 JKMNJTLOGSBHBA-UHFFFAOYSA-N 242.028 1.725 30 50 BDEA CC(=O)N[C@@](C)(C#N)Cc1ccc(F)cc1 584879941 USCQWAKNYIJAJP-GFCCVEGCSA-N 220.247 1.787 30 50 BDEA CCC#CCN1CCC(C)(C(=O)N(C)C)CC1 670436566 WIPNKDXAZBYCNL-UHFFFAOYSA-N 236.359 1.590 30 50 BDEA CC[C@H]1C[C@@H]1C(=O)N[C@]1(C#N)CC1(C)C 1857528648 OIYIRUJPMOAKFX-AUTRQRHGSA-N 206.289 1.841 30 50 BDEA C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCS 235508 UHIOKYGCFGNNCU-JGVFFNPUSA-N 231.317 1.161 30 50 BDEA biogenic,in-vitro C=CC[n+]1c2n(c3ccccc31)C[C@@H](O)CS2 439780 NPVODFWFYYFCPH-SNVBAGLBSA-N 247.343 1.581 30 50 BDEA CC(C)(C)OC(=O)N1CCC[C@]2(CO2)C1 40448604 RZXGVMMKJKHHAN-LLVKDONJSA-N 213.277 1.786 30 50 BDEA in-vitro Cn1cc(OC(=O)c2cccc(C#N)c2)cn1 170685792 TZTOYSYXVJJOPZ-UHFFFAOYSA-N 227.223 1.511 30 50 BDEA C=C[C@H]1CC1(C(=O)OCC)C(=O)OCC 4566185 UOQTXZICFVMERR-QMMMGPOBSA-N 212.245 1.305 30 50 BDEA in-vitro N#Cc1cccc(O[C@H]2CCCNC2)c1 12359861 OSURJDMYHKQISX-LBPRGKRZSA-N 202.257 1.689 30 50 BDEA in-vitro CCN(CC)CC#CC[C@@H](C)OC(C)=O 2837505 UKQXNWIHLRWUPD-LLVKDONJSA-N 211.305 1.673 30 50 BDEA CCCCN1CCOB(c2ccccc2)OCC1 170161401 XBJLGTGASXIEFZ-UHFFFAOYSA-N 247.147 1.531 30 50 BDEA CC#CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 125734919 CSGIDDJUUNDLLG-NEPJUHHUSA-N 243.372 1.345 30 50 BDEA N#Cc1c(-c2ccc(Cl)cc2)ccn(N)c1=N 4036489 ICQPZKDACFKYIE-UHFFFAOYSA-N 244.685 1.873 30 50 BDEA C[C@H](O)C[C@H](C)/N=C(/O)c1ccn(C)c1 330805834 KYIFQKPUCILMLY-IUCAKERBSA-N 210.277 1.489 30 50 BDEA N#CCNC(=O)Cc1ccc(F)cc1Cl 156179840 QGNRXYLZPFGJCR-UHFFFAOYSA-N 226.638 1.661 30 50 BDEA CN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 335398257 HFTBPCJVQSBJEB-CQSZACIVSA-N 247.342 1.234 30 50 BDEA CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1F 216649629 HFAUSIZNCJJDAX-UHFFFAOYSA-N 240.087 1.341 30 50 BDEA C#CCN(C)S(=O)(=O)c1cccc(C)c1F 192946240 HQNKWXHJUUYNCQ-UHFFFAOYSA-N 241.287 1.388 30 50 BDEA O=C(COc1ccccc1)/N=C1/NCCS1 483132 ACAJVNFRRNPOQX-UHFFFAOYSA-N 236.296 1.284 30 50 BDEA CCOc1ccc(NC(=O)C/C(N)=N/O)cc1 13110652 RXNNSULEVQABER-UHFFFAOYSA-N 237.259 1.160 30 50 BDEA C/N=C(/S)Nc1ccc([N+](=O)[O-])cc1 13519903 IZLUBBFCORMPHF-UHFFFAOYSA-N 211.246 1.922 30 50 BDEA N#Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2O3)cn1 247295887 FGMSHLFPZRERPR-GRYCIOLGSA-N 215.256 1.685 30 50 BDEA C=CCNC(=O)c1ccccc1NC(=O)C1CC1 6703450 CWBHKEXFAVQCGZ-UHFFFAOYSA-N 244.294 1.951 30 50 BDEA CCOC(=O)CC(=O)C[C@H]1C(=O)C=C(C)[C@@H]1C 45028111 HMNGYYNWYHZVGT-GXSJLCMTSA-N 238.283 1.680 30 50 BDEA Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CO2)C1 1875372307 CMBNAPNWQMVMTE-DGCLKSJQSA-N 231.295 1.710 30 50 BDEA O=C(N[C@H](CC(F)F)c1ccccc1)[C@@H]1CO1 1875372442 GGBCVAJVXKATPC-ZJUUUORDSA-N 241.237 1.898 30 50 BDEA CC(C)c1ccc(CCNC(=O)[C@H]2CO2)cc1 1875373204 WFWHYWVIFRNYQN-CYBMUJFWSA-N 233.311 1.868 30 50 BDEA CC#CC(=O)NC[C@H](c1ccco1)N(C)C 170614527 LFWLJMVXZPKBRV-SNVBAGLBSA-N 220.272 1.022 30 50 BDEA CN1CCOc2cc(NC(=O)CC#N)ccc21 408523200 PRXYPQYMMDPZMK-UHFFFAOYSA-N 231.255 1.367 30 50 BDEA CN/C(N)=N/C[C@H]1CCN(c2ccccc2)C1 225524058 NVNAFHLJPPTKRL-LLVKDONJSA-N 232.331 1.047 30 50 BDEA CC#CCN(C)C[C@@H]1CCc2nccn2C1 328652238 WGBNVYITQGTFGS-LBPRGKRZSA-N 217.316 1.401 30 50 BDEA N#Cc1cnn(CC2CCCCC2)c1N 51053 XWANTEITKIFQDI-UHFFFAOYSA-N 204.277 1.917 30 50 BDEA COC(OC)c1ccc(C#N)c(SC)n1 123512 XIIHPYHWFPYSRE-UHFFFAOYSA-N 224.285 1.967 30 50 BDEA C=C(C)CN1C(=O)c2ccccc2S1(=O)=O 501200 XXAGRRSPENJLST-UHFFFAOYSA-N 237.280 1.407 30 50 BDEA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C#N 4770764 FMXMKURBRCYSSR-LLVKDONJSA-N 232.283 1.516 30 50 BDEA C[C@@H]1OCC[C@H]1Nc1cccnc1C#N 134559437 ZDVLDNLAJZYINI-DTWKUNHWSA-N 203.245 1.543 30 50 BDEA CC[C@]1(C)OC(=O)N(CCC#N)[C@]1(C)O 4491448 GAFYBIUOVSDPML-VHSXEESVSA-N 212.249 1.229 30 50 BDEA C=C(C(=O)OC)[C@H](CO)c1ccccc1 39118252 YMVFERDGYXYMRR-NSHDSACASA-N 206.241 1.492 30 50 BDEA N#Cc1ccc(CN2CCO[C@H](CF)C2)o1 334866619 YUOUQSDVQYZSQA-LLVKDONJSA-N 224.235 1.322 30 50 BDEA CN1CCN(/N=C/c2ccc([N+](=O)[O-])cc2)CC1 435697 YDPFSXYUVXYZIP-JLHYYAGUSA-N 248.286 1.176 30 50 BDEA CC#CCn1c(C)nn(C(C)(C)C)c1=O 159593193 YFKGXJXPOCHNSH-UHFFFAOYSA-N 207.277 1.132 30 50 BDEA C#CC(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 1648688626 MWPNXSYODLKXAX-UHFFFAOYSA-N 244.229 1.106 30 50 BDEA N#Cc1ncc(Br)cc1C(=O)O 16125041 ZXMOKCFTQRVZOP-UHFFFAOYSA-N 227.017 1.414 30 50 BDEA Cn1cnc2c1CCN(c1cccc(C#N)n1)C2 374247655 MSGPSHXYQUTRJQ-UHFFFAOYSA-N 239.282 1.249 30 50 BDEA C=CCNC(=S)NCCc1ccc(O)cc1 2998456 WNQQAHADERHMCL-UHFFFAOYSA-N 236.340 1.585 30 50 BDEA CSc1ccc(-c2nnn(CC#N)n2)cc1 10337343 XBKKZYSIXMOQTP-UHFFFAOYSA-N 231.284 1.586 30 50 BDEA C=CCSc1nnc([C@@H]2CCCNC2)n1C 820497019 QTQRQMHPVZDAFR-SECBINFHSA-N 238.360 1.560 30 50 BDEA N#Cc1cccc(N2CC[C@H]3CC[C@@H](O)[C@H]32)n1 1875299832 XQFRNYUSHGOCIN-XWIASGKRSA-N 229.283 1.303 30 50 BDEA C[C@@H](CNC(=O)[C@@H]1CO1)c1cccc(F)c1 1875372412 FSFPMCDHJRINDZ-KWQFWETISA-N 223.247 1.444 30 50 BDEA CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 169743602 OGYYMVGDKVJYSU-UHFFFAOYSA-N 236.124 1.763 30 50 BDEA in-vitro N#Cc1cc(Br)cnc1F 98086060 IKJFCBRIICKXPQ-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA in-vitro Oc1ccc(Cl)cc1/C=N/N1CCOCC1 5713508 JDHKDKWQSACEPQ-MDWZMJQESA-N 240.690 1.712 30 50 BDEA O=CC1(n2cc(Br)cn2)CC1 1857786921 NXEQCPNHHMHWDC-UHFFFAOYSA-N 215.050 1.334 30 50 BDEA Cc1csc([S@](=O)CCCC#N)n1 123328889 PQZVQXLZGDNLEF-ZDUSSCGKSA-N 214.315 1.863 30 50 BDEA CCOC(=O)C[C@H](N)c1cccc(C#N)c1 3678388 RQXNTACIGAQAHX-NSHDSACASA-N 218.256 1.511 30 50 BDEA C/C(=N\Nc1ccccc1)c1no[n+]([O-])c1C 4957058 QQCSXOJLRJFLEZ-XYOKQWHBSA-N 232.243 1.453 30 50 BDEA COC(=O)CSc1ccc(C#N)cn1 35176031 UFMSFXGGLKXRRM-UHFFFAOYSA-N 208.242 1.218 30 50 BDEA CS(=O)(=O)Cc1ccc(C#N)cc1F 70234438 UHUVXOGUTUIZKX-UHFFFAOYSA-N 213.233 1.242 30 50 BDEA C=C(C[C@]1(C(=O)OC)CCCO1)C(=O)OCC 43198979 RETXQILNYKKIMY-LBPRGKRZSA-N 242.271 1.218 30 50 BDEA O=C(On1ccccc1=O)c1ccc(Cl)cc1 43214896 BLGNDICVXWIJKP-UHFFFAOYSA-N 249.653 1.771 30 50 BDEA Cc1ccc(-c2nc(N)c(C#N)c(N)c2C#N)cc1 253470657 VUJMYKFGKJLDNL-UHFFFAOYSA-N 249.277 1.965 30 50 BDEA Cc1nc(C#N)cc(NCc2cnoc2C)n1 1154887746 QEDVFMIBKVYKHT-UHFFFAOYSA-N 229.243 1.565 30 50 BDEA N/C(=N/O)c1cc([N+](=O)[O-])ccc1Cl 12649264 ZPQGGKLALGDINR-UHFFFAOYSA-N 215.596 1.343 30 50 BDEA in-vitro COC(=O)c1ccnc(C(=O)/C=C/N(C)C)c1 19045879 LFXWCSKUPVAECB-FNORWQNLSA-N 234.255 1.126 30 50 BDEA COC(=O)C1=C(C)N(c2ccccc2)CC1=O 223208444 RHQXTFLQVNCQIK-UHFFFAOYSA-N 231.251 1.523 30 50 BDEA C=CC(=O)N(CC)c1ccc(C#N)cn1 1875380812 APOKNNJDEFZBGM-UHFFFAOYSA-N 201.229 1.492 30 50 BDEA CO[C@H](C)C(=O)Nc1ccc(F)cc1C#N 168819885 HZGJJUJIVQQYHM-SSDOTTSWSA-N 222.219 1.671 30 50 BDEA Cc1cc(N)ncc1B1OC(C)(C)C(C)(C)O1 169969120 HLMWZDGOUKBTRL-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA CN(C)C(=NCCOc1ccccc1)N(C)C 240569419 HAMMLYLVZIPNGU-UHFFFAOYSA-N 235.331 1.545 30 50 BDEA COCCO[C@H]1CCN(c2ccc(C#N)nc2)C1 275872949 VVMWFXOWRQBHLI-ZDUSSCGKSA-N 247.298 1.195 30 50 BDEA Cc1nc(N(C)N)c(C#N)c(C)c1Cl 1429267 FWWQIZXJOZZXLY-UHFFFAOYSA-N 210.668 1.533 30 50 BDEA COc1ccc(C(=O)/C=C/N(C)C)c(O)c1 26461571 GIWPLJABJPALKR-VOTSOKGWSA-N 221.256 1.659 30 50 BDEA C/C(Cc1ccccc1)=N\N1CCN(C)CC1 71773075 ZLPZATPSDASZFA-FYWRMAATSA-N 231.343 1.852 30 50 BDEA Cn1ncnc1-c1ccc(OC[C@H]2CO2)cc1 1875378969 LOAZHXZATFACJH-NSHDSACASA-N 231.255 1.260 30 50 BDEA Cc1noc(C)c1B1OC(C)(C)C(C)(C)O1 169743753 CVLHETBAROWASE-UHFFFAOYSA-N 223.081 1.591 30 50 BDEA in-vitro CC[C@@H](CC#N)NC(=O)c1nc(O)sc1C 585089467 PAUVUAKRGWLNRI-ZETCQYMHSA-N 239.300 1.579 30 50 BDEA CCOC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C#N 238850489 BWPBQANDYJXWEZ-LPEHRKFASA-N 208.261 1.767 30 50 BDEA in-vitro C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C#N)nc1O 2325771227 KTDFUAZJMYWOSF-IUCAKERBSA-N 245.282 1.672 30 50 BDEA CCOC(=O)[C@H](C#N)CC(OCC)OCC 2389571 AHKACZDKUNMFBD-VIFPVBQESA-N 229.276 1.478 30 50 BDEA in-vitro N=C1NNC(=N)C1=NNc1ccc(Cl)cc1 4477379 XTONCZCIDRYXDH-UHFFFAOYSA-N 236.666 1.170 30 50 BDEA COC(=O)[C@@H](C)c1cccc(NC(=O)CC#N)c1 424063708 YDAGFEAUWOVFBL-VIFPVBQESA-N 246.266 1.815 30 50 BDEA C=CCN(Cc1ccccn1)[C@H]1CCCNC1 67604042 KMUSAMPTPVJAAP-AWEZNQCLSA-N 231.343 1.822 30 50 BDEA N#Cc1ccccc1N1CC(C(=O)O)C1 70569478 VZKGIBUJPUJLNV-UHFFFAOYSA-N 202.213 1.079 30 50 BDEA in-vitro N#C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCOC1 1875365271 GJRNZLOVOQZION-VXGBXAGGSA-N 236.315 1.612 30 50 BDEA Cc1ccc(Cc2nnn(CCC#N)n2)cc1 193426308 GFMNOIDEZOFGMB-UHFFFAOYSA-N 227.271 1.486 30 50 BDEA CC(C)(CO)NCC#Cc1ccccc1 20388536 IOMJZUYNCDJECH-UHFFFAOYSA-N 203.285 1.399 30 50 BDEA CN/C(N)=N/CCc1cccc2[nH]ccc12 283730094 CFLMSMXZMJJZKM-UHFFFAOYSA-N 216.288 1.245 30 50 BDEA O=C(On1ccccc1=O)c1cccc(Cl)c1 45069197 SELGFOYSLUODHW-UHFFFAOYSA-N 249.653 1.771 30 50 BDEA N#Cc1c(N)nn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1N 1775992181 KAKILKXAUUEZRY-YIZRAAEISA-N 229.287 1.131 30 50 BDEA CCCCn1c(OC)c(C#N)ccc1=O 408525134 MFWVDUYRNKUYLX-UHFFFAOYSA-N 206.245 1.529 30 50 BDEA Cc1cc(O)n(CCC(C)C)c(=O)c1C#N 11765602 JKCNPFDVCOHBQD-UHFFFAOYSA-N 220.272 1.780 30 50 BDEA CN1CCN(NC2=CC(=O)CC(C)(C)C2)CC1 18115323 XPKINDTVJWNSLB-UHFFFAOYSA-N 237.347 1.011 30 50 BDEA N#CCCN(Cc1cnns1)CC1CC1 290042081 OCXIZAKIPYJGRN-UHFFFAOYSA-N 222.317 1.664 30 50 BDEA CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C#N)[C@@H]2C1 103528550 NQLPDUDIPJLXMZ-PSVAKVPMSA-N 208.261 1.623 30 50 BDEA C=C/C(O)=N/[C@@H]1CCCN(C(=O)OC)C1 328597004 CJSOBKMRYRESBS-MRVPVSSYSA-N 212.249 1.360 30 50 BDEA CCOC(=O)c1ccn(-c2ccc(C#N)cc2)n1 96511608 XCTYJJTTWROQCF-UHFFFAOYSA-N 241.250 1.921 30 50 BDEA C#C[C@H](CCC)/N=C(/NC)NCc1ccco1 253430551 MQRBHVCFAUCZEM-LLVKDONJSA-N 233.315 1.747 30 50 BDEA COc1cccc([C@@H]2C[C@H]2NC(=O)[C@@H]2CO2)c1 1875372756 MGSFLGGJCFUCCC-TUAOUCFPSA-N 233.267 1.066 30 50 BDEA O=C([C@@H]1CO1)N(Cc1ccccc1)CC1CC1 1875372371 DUSXMFJWUSJVLG-ZDUSSCGKSA-N 231.295 1.824 30 50 BDEA O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CO1 1875372797 MOJHYONHPOXZGX-DGCLKSJQSA-N 231.295 1.622 30 50 BDEA C=CCN1CCC(NC(=O)c2ccon2)CC1 171717658 WLFIGGVVLIPTBB-UHFFFAOYSA-N 235.287 1.055 30 50 BDEA N#Cc1c[nH][nH]c1=NC[C@@H]1C[C@H]1c1ccccc1 565530035 KVKPDYHLRWZPMB-AAEUAGOBSA-N 238.294 1.919 30 50 BDEA N/C(S)=N/N=C/C=C/c1ccccc1 11536050 SHUQFXIRXYXNOZ-HCFISPQYSA-N 205.286 1.930 30 50 BDEA aggregator C=C(Br)CNC(=O)[C@@H]1CCCCN1 153540575 LSCUJHSGGDNZIR-QMMMGPOBSA-N 247.136 1.153 30 50 BDEA O=CCCCN1C(=O)c2ccccc2C1=O 5934692 WMXADABRNBNSJC-UHFFFAOYSA-N 217.224 1.262 30 50 BDEA in-vitro C=CC[C@@H](NC(=O)OC1CCC1)C(=O)O 322113754 KAMXJKNMYGUZTI-MRVPVSSYSA-N 213.233 1.294 30 50 BDEA CC1(C)OB(c2ccc(O)cc2C#N)OC1(C)C 202563374 GDRLDPGGUZWIPL-UHFFFAOYSA-N 245.087 1.563 30 50 BDEA in-vitro CCN(CC)S(=O)(=O)c1ccc(C#N)cc1 186656 WJLPGQLMVQFEHV-UHFFFAOYSA-N 238.312 1.589 30 50 BDEA CCCCOc1ccc(CC(=O)NO)cc1 3871797 MXJWRABVEGLYDG-UHFFFAOYSA-N 223.272 1.913 30 50 BDEA biogenic,world O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)[C@@H]1CO1 1875372880 ONKUMCYIYSHXDC-UPJWGTAASA-N 247.294 1.422 30 50 BDEA N#Cc1cc(C(=O)N2CCCO2)ccc1F 279286395 YEMXDXBXWFQZPG-UHFFFAOYSA-N 220.203 1.475 30 50 BDEA C=CCNC(=O)c1csc2c1CCNC2 12343792 VWOGSNIGAOXZFO-UHFFFAOYSA-N 222.313 1.310 30 50 BDEA C=CCNCC(=C)B1OC(C)(C)C(C)(C)O1 1857781049 KGWPZSMPBWXBCR-UHFFFAOYSA-N 223.125 1.950 30 50 BDEA Cn1cc(/C=N/O)c(-c2ccc([N+](=O)[O-])cc2)n1 2325721742 CVQVDSHSDUHUND-WUXMJOGZSA-N 246.226 1.803 30 50 BDEA C=CCNC(=O)C[n+]1csc2ccccc21 2874954 BELJAPFKRDVNRS-UHFFFAOYSA-O 233.316 1.491 30 50 BDEA Sc1nnc(NN=C2CCCCC2)[nH]1 6855112 NLKROCRSNCRQDW-UHFFFAOYSA-N 211.294 1.825 30 50 BDEA CN(C(=O)[C@@H]1CO1)[C@@H]1C[C@H]1c1ccccc1 1875372898 PERZPVYOKLSJBQ-TUAOUCFPSA-N 217.268 1.400 30 50 BDEA CC1(C)OB(c2ccc(NC=O)cc2)OC1(C)C 169809921 CDYFHMUSLGPPMI-UHFFFAOYSA-N 247.103 1.554 30 50 BDEA in-vitro CN(C)c1nnc(S[C@@H](C#N)C2CC2)s1 601077562 VEUJLSIRKDCYDF-ZETCQYMHSA-N 240.357 1.998 30 50 BDEA CN1C[C@]23CCCC[C@@]2(C1)CN(CC#N)C3 1337638590 XNFFESWWTABLJM-BETUJISGSA-N 219.332 1.318 30 50 BDEA CC(C)(C)OC(=O)N1CCC(=NO)CC1 34560637 LDLQTMSUZKHEHY-UHFFFAOYSA-N 214.265 1.848 30 50 BDEA in-vitro Cn1ncc(C#N)c1/N=C/N1CCCC1 101063314 ATEXQZICNTWVBA-XYOKQWHBSA-N 203.249 1.047 30 50 BDEA CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C 169745666 NLWYVKHISUTBMY-UHFFFAOYSA-N 234.108 1.517 30 50 BDEA in-vitro CCOC(=O)COc1ccccc1C#N 134947 ORNAPWRLYAJFON-UHFFFAOYSA-N 205.213 1.500 30 50 BDEA in-vitro Cc1nocc1B1OC(C)(C)C(C)(C)O1 222901135 ZHXDQNNFDJRLCZ-UHFFFAOYSA-N 209.054 1.282 30 50 BDEA in-vitro CCOC(=O)C(CCC#N)C(=O)OCC 2140891 YJJLOESDBPRZIP-UHFFFAOYSA-N 213.233 1.033 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC(F)(C=O)CC1 14984814 GRSPYCFNEDACGF-UHFFFAOYSA-N 231.267 1.925 30 50 BDEA Cc1cc(CN(C)C(=O)c2cc(C#N)c[nH]2)on1 1857694603 FRDREXPMRAIILQ-UHFFFAOYSA-N 244.254 1.455 30 50 BDEA CC#CCNC(=O)c1cc(Cl)cc(F)c1N 240897330 ISFLJQAEOUBKQP-UHFFFAOYSA-N 240.665 1.814 30 50 BDEA COC(C)(C)c1noc(-c2ccc(C#N)nc2)n1 154180042 AXZRCDVKLAWWIH-UHFFFAOYSA-N 244.254 1.885 30 50 BDEA C=C(C)C(=O)NC1=NN(c2ccccc2)C(=O)C1 291497 MXLQAWXKAKUDHC-UHFFFAOYSA-N 243.266 1.429 30 50 BDEA C=CCN1CCN(C(=O)c2cccc(C)c2)CC1 55062944 IKZCBESAXXRDMI-UHFFFAOYSA-N 244.338 1.939 30 50 BDEA N#Cc1cccc(N2CC(c3cccnc3)C2)n1 71422388 SLMRTGNVJRUPIS-UHFFFAOYSA-N 236.278 1.952 30 50 BDEA C#CCNc1nc(Cl)ncc1[N+](=O)[O-] 229300093 QXIHAUHFUGEHIK-UHFFFAOYSA-N 212.596 1.083 30 50 BDEA CNC(=O)COc1nc(C(C)(C)C)ccc1C#N 585118119 CNSDLWXDSBJTOD-UHFFFAOYSA-N 247.298 1.376 30 50 BDEA Cc1nnc(N[C@H]2C[C@H]3CC[C@H]2O3)c(C#N)c1C 110680711 YIXXWHLGXLUMJZ-ADEWGFFLSA-N 244.298 1.697 30 50 BDEA COc1nc(C)cc(N(C)C[C@@H](C)C#N)n1 260365614 ZFNFJSQYTOUEAF-QMMMGPOBSA-N 220.276 1.390 30 50 BDEA C=CCOC(=O)Nc1cc(O)cc(C(=O)O)c1 12370907 MYOCYAGTJQROGX-UHFFFAOYSA-N 237.211 1.825 30 50 BDEA N#Cc1ccccc1OCCN1CCOCC1 19832914 XTWXLNMTIZTACP-UHFFFAOYSA-N 232.283 1.269 30 50 BDEA CC(C)(C)OC(=O)C#CC(=O)OC(C)(C)C 2534749 FBCRUXRGQFLOMC-UHFFFAOYSA-N 226.272 1.673 30 50 BDEA COCC(=O)Nc1ccc(F)cc1C#N 135155340 YWHCQBMOULCBHB-UHFFFAOYSA-N 208.192 1.282 30 50 BDEA Cc1c(CNC[C@@H]2CCCOC2)cc(C#N)n1C 132390126 HZVUUTMRAOJMEV-LBPRGKRZSA-N 247.342 1.721 30 50 BDEA CC#CC(=O)N[C@@H]1Cc2cccc(OC)c2C1 1875365822 JPRJLAMNHQNECJ-LLVKDONJSA-N 229.279 1.302 30 50 BDEA C=CC[C@H](C)NC(=O)Cc1cccc(N)c1 169023961 DZIPSEFEPNAJLB-JTQLQIEISA-N 218.300 1.892 30 50 BDEA CC1(C)OB(c2ccc(N)c(F)c2)OC1(C)C 169743555 AIXGNRNTXUKZLC-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro N#CCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281900895 QPOQMVBFGLZULN-RYUDHWBXSA-N 220.247 1.457 30 50 BDEA O=C(NO)c1nc(Br)ccc1F 306491385 LVUCFTSOUJGAGS-UHFFFAOYSA-N 235.012 1.102 30 50 BDEA COC(=O)[C@H]1O[C@@H]1c1cc(Cl)ccc1OC 1702961 UKUHRBVTJWEYBW-ZJUUUORDSA-N 242.658 1.962 30 50 BDEA C=CC(=O)N(C)[C@H](C#N)c1cccc(O)c1 1875305749 GUZGDSKDJPROQS-LLVKDONJSA-N 216.240 1.601 30 50 BDEA N#Cc1c(Cl)cc(C(=O)O)nc1Cl 91301678 NOLRVNOZBGZFCN-UHFFFAOYSA-N 217.011 1.958 30 50 BDEA in-vitro Cc1ncsc1B1OC(C)(C)C(C)(C)O1 203613906 PKQNVRKSVXSVKS-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA N#C[C@H](C(N)=O)c1ccc2ccccc2c1 207005 ZSSLODPDGXEUAJ-LBPRGKRZSA-N 210.236 1.932 30 50 BDEA COC(=O)c1ccc(C=C(C(C)=O)C(C)=O)o1 2546518 JBMZORQFUCRXKG-UHFFFAOYSA-N 236.223 1.628 30 50 BDEA O=C1C=C[C@]2(CCO2)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 101143787 GZVHYPLQOGLCPN-PGCAYKIGSA-N 202.253 1.723 30 50 BDEA N#Cc1ccnc(F)c1Br 263623331 GPHPXMDXYYFSJY-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA CC#CC(=O)N[C@H](C)c1cnn(CC2CCC2)c1 890671120 VNCUGGIIGSCDJQ-LLVKDONJSA-N 245.326 1.884 30 50 BDEA COc1ccc(C(=O)CC(C#N)C#N)cc1 49815580 XJCORKKNFKREHK-UHFFFAOYSA-N 214.224 1.931 30 50 BDEA in-vitro CC1(C)OB(c2cnc(C#N)c(F)c2)OC1(C)C 169747380 QCANCVFRTNPQIZ-UHFFFAOYSA-N 248.066 1.392 30 50 BDEA in-vitro CNc1nc(C)c(C(=O)/C=C/N(C)C)s1 117955685 KZHPWLCGQFOOPP-AATRIKPKSA-N 225.317 1.751 30 50 BDEA N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](F)C2)c1 335454581 ZSRQONPSPMJITQ-IUCAKERBSA-N 221.235 1.507 30 50 BDEA CCOC(=O)c1ccc(NC(=O)CS)cc1 5007883 GTRWTNRJZGIRDE-UHFFFAOYSA-N 239.296 1.732 30 50 BDEA Nn1cnnc1N/N=C/C=C/c1ccccc1 5600210 WPCHTKOSZNHKEL-ZAUJTXRMSA-N 228.259 1.103 30 50 BDEA C[C@@]1(C#N)CCCN(C(=O)c2cncc(O)c2)C1 584890378 UAQYRNISEHXQGX-ZDUSSCGKSA-N 245.282 1.553 30 50 BDEA C#CCN(C#N)c1ccc(F)c([N+](=O)[O-])c1 328590515 IBSDCLMHOAFRMJ-UHFFFAOYSA-N 219.175 1.655 30 50 BDEA N#Cc1cccnc1-c1ccc(C(N)=O)cc1 32582003 GKMWEOCRTQFGDJ-UHFFFAOYSA-N 223.235 1.719 30 50 BDEA C=CC(C)(C)C(=O)N1CCCO[C@@H](CF)C1 335194551 GHZKGXMFVCQCHG-JTQLQIEISA-N 229.295 1.786 30 50 BDEA C[C@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@H]2C)[C@]31C#N 245245543 CWFULRGXCRZMDM-RGZILCRASA-N 244.254 1.197 30 50 BDEA CC#CC(=O)N[C@H](COC)c1cccc(C#N)c1 1875367000 HDEPEWLAIZMNRT-CYBMUJFWSA-N 242.278 1.385 30 50 BDEA N#CC[C@](O)(c1ncco1)C(F)(F)F 1772716045 KYUMJOACFMSDLH-LURJTMIESA-N 206.123 1.338 30 50 BDEA C#CCN(CC#N)C(=O)CC1=CCCCC1 225601665 YJLCJVLHCMLJBH-UHFFFAOYSA-N 216.284 1.862 30 50 BDEA COC(=O)c1ccc(C2(C#N)CCC2)nc1 756960403 SBZKBRHLDQXBDD-UHFFFAOYSA-N 216.240 1.813 30 50 BDEA O=[N+]([O-])c1cnc(/N=C(\O)C(F)(F)F)nc1 4538947 XNRDQOMWWCVGSK-UHFFFAOYSA-N 236.109 1.535 30 50 BDEA CC(C)[C@@H]1CN/C(=N/Cc2ccccc2)N1 1775993831 LVQSAGHAZLJPFF-LBPRGKRZSA-N 217.316 1.760 30 50 BDEA CC[C@H](Oc1ccccc1)/C(O)=N/c1nn[nH]n1 8325756 FERNKODRBWPYEQ-VIFPVBQESA-N 247.258 1.645 30 50 BDEA CC#CC(=O)NC[C@H](C)Oc1ccccc1C 283324209 VZNRZPZBFKFHMH-LBPRGKRZSA-N 231.295 1.902 30 50 BDEA O=C1/C(=C2/CN3CCC2CC3)N2CCC1CC2 196150789 PZGYKDWIBYWKGD-OUKQBFOZSA-N 232.327 1.261 30 50 BDEA CC1(C)Cc2ccccc2C(C(=NO)C(N)=O)=N1 254440230 AEYZGCDFSMSMSP-UHFFFAOYSA-N 245.282 1.126 30 50 BDEA O=C(N[C@@H]1C[C@]12CCc1ccccc12)[C@H]1CO1 1875372380 FACLNQYENHJKBS-BZPMIXESSA-N 229.279 1.158 30 50 BDEA CCn1nccc1/C=C/C(=O)c1cc(OC)no1 585086277 DQEWJMNAZFORGM-SNAWJCMRSA-N 247.254 1.796 30 50 BDEA C[C@@H]1CN(C)C(=NCc2ccccc2)N1 1875278763 CVDPIEGGSHQQIH-SNVBAGLBSA-N 203.289 1.466 30 50 BDEA N#Cc1ncccc1N1CCC[C@@H]1CF 292758962 KFMMGAQVACQWBV-SECBINFHSA-N 205.236 1.892 30 50 BDEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ncc[nH]2)C1 91770525 HKCANHQUZBWLKK-CYBMUJFWSA-N 249.314 1.653 30 50 BDEA N#Cc1cccc2cc(OC[C@H]3CO3)cnc12 1875379437 QICAIRJRVMZYRO-LBPRGKRZSA-N 226.235 1.884 30 50 BDEA O=C(C[C@@H]1C[C@H]2C=C[C@H]1C2)ON1C(=O)CCC1=O 101924269 AOGNOQQTUYLDKN-GUBZILKMSA-N 249.266 1.196 30 50 BDEA in-vitro CNC(=O)C(C)(C)CNc1ccc(C#N)cn1 161105202 SLOHGXLHVYCJKK-UHFFFAOYSA-N 232.287 1.137 30 50 BDEA O=C1SC(=S)N/C1=C/c1cccc(O)c1 12341504 YBTNAWHUSCEKHE-VMPITWQZSA-N 237.305 1.881 30 50 BDEA CO[C@@H]1C[C@H](C=O)N(C(=O)OC(C)(C)C)C1 209500338 XAIXKICCDVTSDD-RKDXNWHRSA-N 229.276 1.210 30 50 BDEA in-vitro C=CCN1CC(=O)N(c2ccccc2)C1=S 406360 DDFHUBUSROEQQY-UHFFFAOYSA-N 232.308 1.806 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/O)[C@H]4[C@H]13 102310922 JWHDYBQMUQNNIA-GDKYULPESA-N 206.245 1.569 30 50 BDEA O/C(=N/Cc1noc(C2CC2)n1)NC1CC1 328908995 DISHQHCLUCUSHX-UHFFFAOYSA-N 222.248 1.113 30 50 BDEA N#Cc1cccc2[nH]cc(CC(=O)O)c12 77286139 ZSSNFXKPLODXQY-UHFFFAOYSA-N 200.197 1.667 30 50 BDEA in-vitro ON=C(Cc1ncc[nH]1)c1ccccc1 254501839 WDKJZPYRHWUAOT-UHFFFAOYSA-N 201.229 1.831 30 50 BDEA CC1(C)OB([C@]2(C)CCNC2)OC1(C)C 1875389846 VXRXFZMMXFVSHD-LLVKDONJSA-N 211.114 1.832 30 50 BDEA CC#CC(=O)NCc1ccc(C(=O)NCC)cc1 282637730 GILHRYKGVNPREP-UHFFFAOYSA-N 244.294 1.076 30 50 BDEA C#C[C@@H](NC(=O)NCCCF)C(C)C 225593401 VCXGRQWAFBVXQQ-SECBINFHSA-N 200.257 1.303 30 50 BDEA COc1ccc(Cl)cc1C(=O)NCC#N 2959457 ZSGBOJPQROBYLW-UHFFFAOYSA-N 224.647 1.602 30 50 BDEA C=CCN[C@@H](C)CS(=O)(=O)c1ccccc1 130710671 GYTWEUIEWZDOIM-NSHDSACASA-N 239.340 1.624 30 50 BDEA C=CCNC(=O)CN1CCCC(C)(C)[C@@H]1C#N 277829812 RJUWEUGXCQBRFC-NSHDSACASA-N 235.331 1.303 30 50 BDEA Cc1ocnc1C(=O)N1CCC[C@](C)(C#N)C1 584894893 WFMWBDLWUJPYPT-GFCCVEGCSA-N 233.271 1.749 30 50 BDEA C#CCCC1(CCN2CC[C@@H]([C@@H](C)O)C2)N=N1 2325891943 LUCZTJYHRDMRKJ-VXGBXAGGSA-N 235.331 1.655 30 50 BDEA O=C1C=CC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1 95315 VKPOOTQNPMWHIC-UHFFFAOYSA-N 229.191 1.686 30 50 BDEA CCNc1sc(C(C)=O)c(N)c1C#N 495321 PAHCLDGEJTYDHG-UHFFFAOYSA-N 209.274 1.836 30 50 BDEA N#CCCNC(=O)c1ccc([N+](=O)[O-])cc1 3101749 IWRJJZIUBZXAMG-UHFFFAOYSA-N 219.200 1.238 30 50 BDEA N[C@H](CCCC/N=C\c1ccccc1)C(=O)O 101590402 COOFECBQXGJZTA-DYTQJMLRSA-N 234.299 1.688 30 50 BDEA C[C@H](NC(=O)c1c[nH]c(C#N)c1)C(C)(F)F 334633357 DJYWNQDMHSCWLU-LURJTMIESA-N 227.214 1.660 30 50 BDEA N#CCC(=O)NC1(C(F)F)CCCCC1 336316596 HJAFCJZHWXKVRP-UHFFFAOYSA-N 216.231 1.984 30 50 BDEA N/C(=N\O)c1ccc([N+](=O)[O-])cc1Cl 142784025 NSFQGSYKNYKJCB-UHFFFAOYSA-N 215.596 1.343 30 50 BDEA O=C1N/C(=C/c2ccc3c(c2)OCO3)C(=O)S1 263619157 XGJLNMAORFVSPS-XVNBXDOJSA-N 249.247 1.739 30 50 BDEA CCOC(=O)c1ccsc1NC(=O)CC#N 16972201 WHMKXHGIDZJVHA-UHFFFAOYSA-N 238.268 1.777 30 50 BDEA CCN(CC)C(=O)CSc1ncccc1C#N 15019419 XEMNRIUZOMIUCD-UHFFFAOYSA-N 249.339 1.914 30 50 BDEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1 18202188 YZVTZMKFPYZHSA-JTQLQIEISA-N 220.228 1.497 30 50 BDEA COc1cc(NC(=O)CC#N)cc(OC)c1 19487255 VRSCQHORPYNADT-UHFFFAOYSA-N 220.228 1.556 30 50 BDEA in-vitro N#Cc1cc(=N[C@H]2CCCC[C@H]2CCO)cc[nH]1 1615587212 YAVIMUCNUYOOQE-FZMZJTMJSA-N 245.326 1.728 30 50 BDEA C#CCN(C)C1=CC(=O)N(c2ccccc2)C1=O 2325826031 MJFXMBLQKXFQLE-UHFFFAOYSA-N 240.262 1.009 30 50 BDEA O=C1C=C[C@@]23CC=CC(=O)[C@]2(CC=CC3=O)C1 101051870 RBQUNVQDXTWFMG-KGLIPLIRSA-N 228.247 1.546 30 50 BDEA Cc1ccnc(B2OC(C)(C)C(C)(C)O2)c1N 170008073 YKTYKTUTXVZOGM-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA C=CCC[C@@H](C)NC[C@@H]1CCCS1(=O)=O 126882763 KGZDGMSGBYFKGC-MNOVXSKESA-N 231.361 1.508 30 50 BDEA O=C(NCc1cccc2c1CCC2)[C@H]1CO1 1875372800 MOJLPDZBUGTVEF-GFCCVEGCSA-N 217.268 1.190 30 50 BDEA CN(C)C/C=C/C(=O)N1CCC(C)(C#N)CC1 273036369 UOBHEYSYAYAKML-SNAWJCMRSA-N 235.331 1.256 30 50 BDEA CC(C)(C)C(=O)Cn1ccc(C#N)cc1=O 585118408 NGRIOQQSIIRHRQ-UHFFFAOYSA-N 218.256 1.335 30 50 BDEA C/C(N)=N/S(=O)(=O)c1ccc(C)cc1 5545359 AATHMSXPRMZWAD-UHFFFAOYSA-N 212.274 1.061 30 50 BDEA N#Cc1cc([C@H](O)[C@@H]2CCCNC2)ccc1F 1857779947 HCVAQRQWNLLIBV-MFKMUULPSA-N 234.274 1.730 30 50 BDEA N#CCSCC(=O)Nc1ccccc1 1910730 JHMSWDQVVGPTSL-UHFFFAOYSA-N 206.270 1.882 30 50 BDEA C=CCNC(=O)C(=O)Nc1c(C)cccc1C 2993315 SPFZNDHCAGKQTN-UHFFFAOYSA-N 232.283 1.544 30 50 BDEA O/N=C1\C2CCN(CC2)[C@H]1Cc1ccccc1O 100467747 KWQUZXOUFBPJDU-TZFAWSOVSA-N 246.310 1.859 30 50 BDEA COC(OC)c1ccccc1/C(N)=N\O 66324319 UHVXXDFSWOCZMO-UHFFFAOYSA-N 210.233 1.073 30 50 BDEA CS(=O)(=O)OC1C2CC3CC(C2)CC1C3 39280515 SWTIWGHKZXJSBH-UHFFFAOYSA-N 230.329 1.787 30 50 BDEA C[C@H]1CN(c2cccc(C#N)n2)C[C@]1(O)C1CC1 1565510027 AHTSQRASCHBGHP-IINYFYTJSA-N 243.310 1.550 30 50 BDEA Cc1c(CO)cccc1B1OC(C)(C)C(C)(C)O1 169747405 LRTHZQDNOROQLW-UHFFFAOYSA-N 248.131 1.787 30 50 BDEA in-vitro CC#CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 277349666 HVSJGTLQPDOLSZ-SNVBAGLBSA-N 247.294 1.904 30 50 BDEA OC1=C/C(=N/c2ccc3nsnc3c2)CN1 1848443898 QHRBQQHWBVUDPZ-GHXNOFRVSA-N 232.268 1.766 30 50 BDEA COc1cccc(C(=O)C[n+]2ccccc2)c1 5671081 RIYIRWGZVCHVEM-UHFFFAOYSA-N 228.271 1.866 30 50 BDEA C#CC(C)(C)OC[C@H](O)CN1CCC[C@@H](C)C1 16578556 QBIWSPOTLCNNAA-CHWSQXEVSA-N 239.359 1.508 30 50 BDEA CC#CCN=C1NC[C@H]2CC[C@@H](C)CN12 2325801517 LVSNDECHBCWUAM-GHMZBOCLSA-N 205.305 1.069 30 50 BDEA CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2O[C@@H]2C1 114766247 DBQMOSUYSLJHCT-PSVAKVPMSA-N 213.277 1.689 30 50 BDEA CC1(C)OB(c2cccc3nonc23)OC1(C)C 206179288 SCGCWIDXAMXVAK-UHFFFAOYSA-N 246.075 1.522 30 50 BDEA CC#CS(=O)(=O)CCc1ccccc1 399389 KVEBODAFWASRDA-UHFFFAOYSA-N 208.282 1.625 30 50 BDEA C=CCC(C)(C)CN1CCC(=O)NC[C@H]1C 67559718 MSVWIIYYNJBABM-LLVKDONJSA-N 224.348 1.799 30 50 BDEA C=CC(C)(C)C(=O)N1CCO[C@@H](CF)C1 335224961 RNHVHHWFDJDATF-VIFPVBQESA-N 215.268 1.396 30 50 BDEA CC1(C)OB(c2ccc(F)c(N)c2)OC1(C)C 169746176 VXNIVUKZNDRJBW-UHFFFAOYSA-N 237.083 1.707 30 50 BDEA in-vitro CC[C@@H](CN=C(NC)NC)c1ccccc1 170610643 FWPXQLZGENANJO-NSHDSACASA-N 219.332 1.975 30 50 BDEA C=CCC(CC=C)C(=O)NC1CN(C(C)C)C1 225578354 JGNHQYXBMZBNRH-UHFFFAOYSA-N 236.359 1.964 30 50 BDEA Cc1cncc(N2CCC(C=O)CC2)n1 12370608 KWDJDKVUDZLNOD-UHFFFAOYSA-N 205.261 1.200 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCNC[C@@H]1CC#N 259321168 BTWCKQOWWVNXTC-VIFPVBQESA-N 225.292 1.109 30 50 BDEA C=CCc1ccccc1OCCN1CCNCC1 20272551 XQCXYZNZPOXXOZ-UHFFFAOYSA-N 246.354 1.699 30 50 BDEA CCOC(=O)C1=C2[C@@H](CC[C@H]2C)CC1=O 71786042 LNKLGYIKHSJREC-SFYZADRCSA-N 208.257 1.865 30 50 BDEA CC#CC(=O)N[C@@H](CCC(C)(C)C)c1nc[nH]n1 1875376538 AGVWRMXVPYNQPP-JTQLQIEISA-N 248.330 1.812 30 50 BDEA CC#CC(=O)NCc1ccc([C@H](C)O)c(C)n1 801181491 RRSCATQFNYCYGS-JTQLQIEISA-N 232.283 1.083 30 50 BDEA CC1(C)OB(c2ccc(F)c(O)c2)OC1(C)C 169997125 HMGMCEWHAKSNBV-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA in-vitro O=C(/C=C\c1ccc(O)cc1)c1ccc[n+]([O-])c1 4566923 CSZOETYZEUXBPB-YVMONPNESA-N 241.246 1.922 30 50 BDEA OCC1(/N=C(/O)c2ccc3cncn3c2)CC1 328813611 NJWJMMCFVCUWLN-UHFFFAOYSA-N 231.255 1.164 30 50 BDEA COC1CCN(c2ccc(C#N)c(N)n2)CC1 579495067 LRYOTBOCPXFCFE-UHFFFAOYSA-N 232.287 1.151 30 50 BDEA CCOc1ccc(C/C(N)=N/n2cnnc2)cc1 4888620 KWAMYJYWSYRMKP-UHFFFAOYSA-N 245.286 1.040 30 50 BDEA N#Cc1ccc(NCCCCCO)cn1 228724537 OGRGRKXTGCIKOK-UHFFFAOYSA-N 205.261 1.528 30 50 BDEA CC(C)(C)OC(=O)NC1(CC=O)CCOCC1 148478046 IJKVPVDYBHYHIF-UHFFFAOYSA-N 243.303 1.649 30 50 BDEA CC1(C)OB(c2ccc(C=O)c(N)c2)OC1(C)C 694980171 LYNXYMXUSJJFCK-UHFFFAOYSA-N 247.103 1.381 30 50 BDEA CC#CC(=O)NCC[C@@H]1OCCc2ccccc21 885932393 VDVAALGRRCTECV-AWEZNQCLSA-N 243.306 1.830 30 50 BDEA Cn1nc(C2CC2)cc1B1OC(C)(C)C(C)(C)O1 306693439 TWPJJIIXRRWECJ-UHFFFAOYSA-N 248.135 1.597 30 50 BDEA C/C(O)=N\c1c(O)nn2c(C)cc(C)nc12 5958127 PFDPVCWJLVBNGD-UHFFFAOYSA-N 220.232 1.660 30 50 BDEA C=CC/N=C1\N=C(C)[C@H](C(=O)OCC)S1 17194841 TZBXXJJVVBZVHF-IRXCETGXSA-N 226.301 1.668 30 50 BDEA CC1(C)OB(c2n[nH]c3ccccc23)OC1(C)C 169978320 UWAAHKNOJPKHNF-UHFFFAOYSA-N 244.103 1.862 30 50 BDEA C[C@]1(C#N)CCCN(C(=O)c2cncc(O)c2)C1 584890377 UAQYRNISEHXQGX-CYBMUJFWSA-N 245.282 1.553 30 50 BDEA C=CCn1nnnc1NCc1ccsc1 6856497 YKMPTGTXOKIZHM-UHFFFAOYSA-N 221.289 1.533 30 50 BDEA N#Cc1ncc(OCc2ccccc2)cn1 22016713 IGWUAUDJTKKCAB-UHFFFAOYSA-N 211.224 1.927 30 50 BDEA C=C(C)C(C)(C)C(=O)N1CCO[C@H](CF)C1 335619332 SPBXZLPGVWZCOT-SNVBAGLBSA-N 229.295 1.786 30 50 BDEA Cc1c(Cl)ccnc1COS(C)(=O)=O 35076485 NXWITMUBWUZMKI-UHFFFAOYSA-N 235.692 1.520 30 50 BDEA N#Cc1nnc2c(-c3ccccc3)cnn2c1N 36559184 LUTMRFQKVPAKDW-UHFFFAOYSA-N 236.238 1.245 30 50 BDEA N#CCNC(=O)c1cnc2c(F)cccc2c1 334329006 NLBIPMQDHKDAAJ-UHFFFAOYSA-N 229.214 1.627 30 50 BDEA N/C(=N/O)c1cc(Br)ccc1N 132707470 VBVPLKDRMOEGDQ-UHFFFAOYSA-N 230.065 1.126 30 50 BDEA CC(C)(S)CNC(=O)c1cccnc1 136863713 ZFHPMPUWUCQVDW-UHFFFAOYSA-N 210.302 1.520 30 50 BDEA N#C[C@H](NC(=O)[C@@H]1CCC(=O)C1)c1ccccc1 1875365914 LZTNLUQMKVOYQF-YPMHNXCESA-N 242.278 1.737 30 50 BDEA O=C(/C=C/c1ccccn1)c1cccc[n+]1[O-] 12410281 LLWNFIMCDIXLQQ-BQYQJAHWSA-N 226.235 1.611 30 50 BDEA CC#CC(=O)N(C)c1ccc(OC)cc1OC 283086305 FBTHVUBWPDZXAD-UHFFFAOYSA-N 233.267 1.690 30 50 BDEA C#CCSc1nnc2[nH]c3ccccc3n12 9265835 HWWXSLVPXUYJFX-UHFFFAOYSA-N 228.280 1.936 30 50 BDEA COC[C@H](C)NC=C1C(=O)CC(C)(C)CC1=O 100443682 LGOOPCQPDVEBEK-VIFPVBQESA-N 239.315 1.453 30 50 BDEA C[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 242273804 YFYWPGZJCQBLLV-BXUZGUMPSA-N 249.358 1.669 30 50 BDEA Cc1nc(N2CCC[C@H]([C@H](C)N)C2)ccc1C#N 261582456 RFPLZISAQWJFKO-GWCFXTLKSA-N 244.342 1.825 30 50 BDEA Cc1c(I)cnn1CC#N 238852421 FXGMDQHKKSBTIP-UHFFFAOYSA-N 247.039 1.320 30 50 BDEA N#CCS(=O)(=O)c1cc(Cl)ccc1F 67172795 ICNRVAIGRDEFCR-UHFFFAOYSA-N 233.651 1.776 30 50 BDEA in-vitro CC#CC(=O)NCc1ccc2c(c1)CCN2CC 1875367446 BSPRRJVPFFUYAG-UHFFFAOYSA-N 242.322 1.709 30 50 BDEA CCC[C@@H]1CN/C(=N/CCSCC)N1 1776004797 XSKVIWMESAUWMJ-SECBINFHSA-N 215.366 1.457 30 50 BDEA CCN(CCO)c1c(F)cc(C#N)cc1F 86778111 PXYDLDUKWQCQJE-UHFFFAOYSA-N 226.226 1.655 30 50 BDEA CC1(C)OB(c2cccc(N)c2)OC1(C)C 169743298 YMXIIVIQLHYKOT-UHFFFAOYSA-N 219.093 1.568 30 50 BDEA in-vitro C#CCN(CC#N)C(=O)c1cscc1C 225564158 OBZHFQUPPIPBDE-UHFFFAOYSA-N 218.281 1.656 30 50 BDEA Cc1coc(B2OC(C)(C)C(C)(C)O2)c1 198093619 ODICCYCRSSGKSX-UHFFFAOYSA-N 208.066 1.887 30 50 BDEA in-vitro C[C@@H](N)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1 203369546 AKMVYVLKQCECJH-APWOSFEXSA-N 223.125 1.601 30 50 BDEA O=C(/C=C\c1ccncc1)c1cc[n+]([O-])cc1 4531793 MAHAWWMCRNKDQQ-UPHRSURJSA-N 226.235 1.611 30 50 BDEA N#CC1(CN2CCc3ccnc(O)c3C2)CC1 408365766 TWRVKCJINHYULB-UHFFFAOYSA-N 229.283 1.449 30 50 BDEA C=CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1 2848469 ZYDSUOIBFDBWCY-SNVBAGLBSA-N 235.283 1.765 30 50 BDEA N#CC1(CN2C(=O)c3ccccc3C2=O)CCC1 307027777 BHSHSOPGIOCIQH-UHFFFAOYSA-N 240.262 1.976 30 50 BDEA N#CCc1cc(N)nc(C(F)(F)F)c1 238655537 KSFQHECEZMMDFI-UHFFFAOYSA-N 201.151 1.749 30 50 BDEA COc1ccc([C@@]2(C)O[C@@H]2C#N)cc1OC 380496008 BKULVQXBYQJVMR-VXGBXAGGSA-N 219.240 1.841 30 50 BDEA N#CCC(=O)c1cncc(Br)c1 44563832 MIXBXJZVCUVVCI-UHFFFAOYSA-N 225.045 1.940 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CC[C@](F)(C#N)C1 95802952 BCSZDQPVZFNVPF-JTQLQIEISA-N 214.240 1.859 30 50 BDEA in-vitro C#CCN(CCCC(C)(C)C#N)S(C)(=O)=O 194631237 CGJLXGGUVMYSJN-UHFFFAOYSA-N 242.344 1.211 30 50 BDEA OCC#CCN1CCC(c2ccccc2)CC1 1875291477 AMPRQPVIRYCTEE-UHFFFAOYSA-N 229.323 1.862 30 50 BDEA CC#CC(=O)NCCc1cn(C)c2ncccc12 826851231 MWXQAOUXXMYZRB-UHFFFAOYSA-N 241.294 1.255 30 50 BDEA N#Cc1nccc(N2CCC3(CC3)C2)n1 400433678 FJYUCTDNRKXSDT-UHFFFAOYSA-N 200.245 1.339 30 50 BDEA Cc1nnc(N(CCC#N)CCC#N)s1 3077021 BXWSDDLEGCHFGX-UHFFFAOYSA-N 221.289 1.480 30 50 BDEA CC[C@@H](CO)NC=C1C(=O)CC(C)(C)CC1=O 100319846 PHVBLGYXBKSDTI-VIFPVBQESA-N 239.315 1.189 30 50 BDEA C=CCc1ccccc1OCCCNCCN 20118712 BDAQKDIPPZJXGV-UHFFFAOYSA-N 234.343 1.732 30 50 BDEA C=CC[C@@]1(c2ccccc2)C(=O)NN=C1O 44124774 NJSZPAGZRIUBGK-UHFFFAOYSA-N 216.240 1.502 30 50 BDEA C#CCCNC(=O)c1cccc(NC(=O)C=C)c1 1293381773 JDOQOJXDISHFQU-UHFFFAOYSA-N 242.278 1.564 30 50 BDEA CC#CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1 1875363083 IAFLDDFHVAOEJT-GFCCVEGCSA-N 244.338 1.823 30 50 BDEA N#Cc1cncc(NC(=O)Nc2cccnc2)c1 1185649469 NFAZNAGFTYYYEV-UHFFFAOYSA-N 239.238 1.992 30 50 BDEA C=CC[C@@H]1CN(C(=O)OC(C)(C)C)CC1=O 95616686 FMKOLWIQHDLUPE-SECBINFHSA-N 225.288 1.999 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C=O)C1 224533481 JYLYSBGREBVWQA-NEPJUHHUSA-N 225.288 1.832 30 50 BDEA CCCCCCC[C@]1(C)NC(=O)NC1=O 1652261 YKUGAPPICXMOIM-NSHDSACASA-N 212.293 1.945 30 50 BDEA in-vitro CN1CCCN(Cc2cccc(C#N)c2)CC1 19362317 WCQJGGDNUFLTPA-UHFFFAOYSA-N 229.327 1.696 30 50 BDEA in-vitro CC#CC(=O)NCc1ccc([C@@H](C)O)c(C)n1 801181492 RRSCATQFNYCYGS-SNVBAGLBSA-N 232.283 1.083 30 50 BDEA Cc1ccc(C#N)c(N2CC[C@]3(CCOC3)C2)n1 161813414 MOYHNBQZYLYDAK-AWEZNQCLSA-N 243.310 1.879 30 50 BDEA C=CCNC(=O)COc1cccc(C)c1C 1748130 HDETWLFXXASMKF-UHFFFAOYSA-N 219.284 1.984 30 50 BDEA C=CCNC(=S)NC(=O)c1ccccc1C 2905918 LCPUONMGSINERR-UHFFFAOYSA-N 234.324 1.785 30 50 BDEA COc1ccc(/C=N/CCO)cc1Cl 4089586 GRUCNGFHGHGXKS-KPKJPENVSA-N 213.664 1.760 30 50 BDEA CN(C)C=C1C(=O)c2ccccc2C1=O 224837 MVUJXFMCAICFMX-UHFFFAOYSA-N 201.225 1.511 30 50 BDEA biogenic COC(OC)c1c(C#CCO)ccnc1Cl 38534036 HQJPAYCKVJOYIX-UHFFFAOYSA-N 241.674 1.370 30 50 BDEA C[C@H]1CCN(c2cc(C#N)ccn2)CC[S@@]1=O 287884971 UQEIFKCHGQDDHW-BTDLBPIBSA-N 249.339 1.301 30 50 BDEA C[S@](=O)CSc1ccccc1C#N 43191108 CMPMBYHPLZPKKZ-CYBMUJFWSA-N 211.311 1.986 30 50 BDEA Cc1ccc(C(=O)N(C)C)cc1OC[C@@H]1CO1 1875379203 OFACNPZFHUYHKE-NSHDSACASA-N 235.283 1.474 30 50 BDEA CC1(C)OB(c2ccc3[nH]nnc3c2)OC1(C)C 169902922 QUYDCPHDUNQFKF-UHFFFAOYSA-N 245.091 1.257 30 50 BDEA in-vitro C[C@H](C#N)OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 221998736 GIJQXYPMCLQAFK-RLECJGJGSA-N 249.310 1.773 30 50 BDEA Cc1cc(=O)n2c3ccccc3nc2n1CC#N 13637009 OCEUKFZNGFXHNM-UHFFFAOYSA-N 238.250 1.481 30 50 BDEA C=CCn1c(SC)nc(O)c(CC)c1=O 753286 BDPFZXZUQYKROJ-UHFFFAOYSA-N 226.301 1.419 30 50 BDEA CCCOS(=O)(=O)c1ccccc1 1666651 OCNPXKLQSGAGKT-UHFFFAOYSA-N 200.259 1.802 30 50 BDEA in-vitro N#Cc1c(N)nc2ccccc2c1C(=O)O 2164668 OIYOFBQHVUSIKX-UHFFFAOYSA-N 213.196 1.387 30 50 BDEA C=CCONS(=O)(=O)c1ccc(C)cc1 3076187 LUFXQJILGMMSEL-UHFFFAOYSA-N 227.285 1.391 30 50 BDEA C=CCN/C=C1\C(=O)Nc2ccccc21 3877205 UTLTUTDAHCBIGI-NTMALXAHSA-N 200.241 1.755 30 50 BDEA N#Cc1cccc(CNCC2(O)CCOCC2)c1 112717251 IIYWAVDXEIIUJJ-UHFFFAOYSA-N 246.310 1.189 30 50 BDEA N#Cc1cnn(Cc2ccc(F)c(C#N)c2)c1 310077631 BOFAKPNITJUODJ-UHFFFAOYSA-N 226.214 1.814 30 50 BDEA Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)nn1 331987799 PSXYWDZKZJWBGV-GFCCVEGCSA-N 230.271 1.207 30 50 BDEA CCNC(=NC[C@@H](C)N(CC)CC)NCC 241470643 NWUXZBRRYZNDBA-LLVKDONJSA-N 228.384 1.292 30 50 BDEA N#Cc1c(-n2ccnc2)cccc1-n1ccnc1 75483 SKYQQENDYWWNJS-UHFFFAOYSA-N 235.250 1.930 30 50 BDEA N#Cc1ccc(CN2CCC[C@H](CN)C2)cc1 44527871 UGQRVJNTWRSBII-CQSZACIVSA-N 229.327 1.729 30 50 BDEA CC(C)(C#N)CCCn1nnc(C2CC2)n1 178817524 ZUEVJAQJQBFKNN-UHFFFAOYSA-N 219.292 1.880 30 50 BDEA CC#CC(=O)N1CC[C@H](CC#N)C(F)(F)C1 1875370477 QBLJFARZUUFASD-VIFPVBQESA-N 226.226 1.407 30 50 BDEA N#CCOc1cccc(OC[C@@H]2CO2)c1 1875379880 YVJXDBKJPYNKAP-LLVKDONJSA-N 205.213 1.367 30 50 BDEA CC1(C)OB(c2cc(C#N)cs2)OC1(C)C 169747466 OXYRAUHWTSONAV-UHFFFAOYSA-N 235.117 1.919 30 50 BDEA in-vitro C[C@H](O)Cn1ccnc1-c1cccc(C#N)c1 1875248121 ZTYJTAYSMBPOEM-JTQLQIEISA-N 227.267 1.803 30 50 BDEA COC(=O)CCC(=O)Nc1cccc(C#N)c1 306058 NGSCUJMRVXAAFZ-UHFFFAOYSA-N 232.239 1.450 30 50 BDEA N#CCCSCc1cnc(NC(=N)N)s1 2576150 SEZPFQMDAQAFQB-UHFFFAOYSA-N 241.345 1.595 30 50 BDEA C#C[C@@H](NC(=O)NCCCn1cccn1)C(C)C 241693919 QIVKUCNXEFTQIL-GFCCVEGCSA-N 248.330 1.230 30 50 BDEA CC#CCN[C@H](COC)c1ccc(C)o1 159673353 RLTSUHFGGUIEOQ-LLVKDONJSA-N 207.273 1.888 30 50 BDEA C#CCN(C)C(=O)[C@@H](C)c1ccccc1 191103087 PWEKYVPXOSXYLQ-NSHDSACASA-N 201.269 1.882 30 50 BDEA C[C@@H]1S/C(=N\N=C\c2ccc(O)cc2)NC1=O 5573328 ZAQZHDNVZVNEJI-NYYVKIQXSA-N 249.295 1.334 30 50 BDEA N#Cc1ccnc(NCCN2CCCCC2=O)c1 405340984 NYWMPUXQHPZFDF-UHFFFAOYSA-N 244.298 1.378 30 50 BDEA C=C(c1ccccc1)[C@@H](C(=O)O)S(C)(=O)=O 189874 SUTVKNUBDIMUQT-JTQLQIEISA-N 240.280 1.198 30 50 BDEA C=CCNC(=O)c1cncc(Br)c1 1748007 NKLIRLKKXOOFKT-UHFFFAOYSA-N 241.088 1.760 30 50 BDEA COC(=O)C[n+]1ccc(Cc2ccccc2)cc1 3130599 AQKYRMZMTINBIN-UHFFFAOYSA-N 242.298 1.738 30 50 BDEA O=C1Nc2c(cccc2C(F)(F)F)/C1=N/O 4801778 WDWZZWHEMKGLOB-UHFFFAOYSA-N 230.145 1.836 30 50 BDEA CC(C)(C)O/C(O)=N/[C@@H]1CCC(=O)O1 328578869 YIKQPWXXCAOTKY-LURJTMIESA-N 201.222 1.379 30 50 BDEA Cc1ncc(B2OC(C)(C)C(C)(C)O2)s1 169748224 QXMZPGMBRRZCDV-UHFFFAOYSA-N 225.122 1.751 30 50 BDEA in-vitro CNc1c(C(=O)N(C)CC#N)cccc1[N+](=O)[O-] 170596215 XHKWHISGJXEIBI-UHFFFAOYSA-N 248.242 1.232 30 50 BDEA C[C@@H]1CCCC[C@@H]1OCC/N=C(\N)NC1CC1 195522504 NQBZFQFYXLOXLI-PWSUYJOCSA-N 239.363 1.648 30 50 BDEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCC(=O)NCC#N)C2 163138246 MBLKPZBXNMKLJT-WDMOLILDSA-N 249.358 1.431 30 50 BDEA C=C/C(O)=N/C1(CO)Cc2ccccc2C1 328598390 MFVBXLGDABUGKK-UHFFFAOYSA-N 217.268 1.659 30 50 BDEA CN1CC[C@H]2CCN(c3cc(C#N)ccn3)[C@@H]2C1 284892023 HCNXPJZQDPHACW-QWHCGFSZSA-N 242.326 1.484 30 50 BDEA C=C[C@@H](CO)NC(=O)c1cc(C)oc1C 290702170 VYWWTXCWPWTDBJ-VIFPVBQESA-N 209.245 1.173 30 50 BDEA CC(C)(C)OC(=O)N1CCO[C@H](C#N)C1 38530149 GZZBGWUQUIKDNN-MRVPVSSYSA-N 212.249 1.146 30 50 BDEA in-vitro CCNC(=NCc1cccnc1OC)NCC 253416609 RKHZKYAFFWPOLM-UHFFFAOYSA-N 236.319 1.165 30 50 BDEA CCCCOc1ccc(/C(N)=N\O)cc1 15986999 PGZWETLFKWJPDA-UHFFFAOYSA-N 208.261 1.960 30 50 BDEA COc1ccc([C@@H]2NC(=O)C(O)=C2C(C)=O)cc1 450150 XKDQLHJDRWRRNS-NSHDSACASA-N 247.250 1.267 30 50 BDEA COc1ccc(C(=O)C[n+]2ccccc2)cc1 1667111 WPNOCYPZWVTWER-UHFFFAOYSA-N 228.271 1.866 30 50 BDEA C/C(=N\NS(C)(=O)=O)c1ccc(C)cc1 4989910 WSDOLDGGCFKJHJ-PKNBQFBNSA-N 226.301 1.268 30 50 BDEA C=CCn1cc(CNCCOCC)c(C)n1 55131721 BUVIWNLVVZDXFE-UHFFFAOYSA-N 223.320 1.504 30 50 BDEA CC1(C(=O)O)CCN(c2cnccc2C#N)CC1 135580751 XNEPFGIREWPGJD-UHFFFAOYSA-N 245.282 1.644 30 50 BDEA C=CCn1cc([C@H]2NCCc3[nH]cnc32)c(C)n1 67692148 BTPFARGOYCFUDR-GFCCVEGCSA-N 243.314 1.336 30 50 BDEA C[C@H](C(=O)N1CCOC[C@@H]1C#N)c1ccccc1 182888678 UPEJIEBJGSRWKD-AAEUAGOBSA-N 244.294 1.541 30 50 BDEA CCC(CC)C(=O)N[C@@H](C#N)[C@@H]1CCOC1 1875365280 TVYVDFGZWLAXIL-MNOVXSKESA-N 224.304 1.467 30 50 BDEA C=C(CC(C)C)C(=O)N[C@H](CO)C(C)C 1356499734 ZFDMNFXXXLQRAZ-LLVKDONJSA-N 213.321 1.722 30 50 BDEA Cc1nc(C#N)c(C#N)n1Cc1ccccn1 155290871 SLDZYLIXWUNOHZ-UHFFFAOYSA-N 223.239 1.378 30 50 BDEA CCC1(NC(=O)c2ccc(C#N)[nH]2)CCC1 160383530 JYZUGPSLZXFBQK-UHFFFAOYSA-N 217.272 1.949 30 50 BDEA C#C[C@@](C)(CC)NC(=O)c1ccccc1C(=O)O 1432610 VZGYZZMXHDWMKP-AWEZNQCLSA-N 245.278 1.917 30 50 BDEA CC#CC(=O)NCCCc1scnc1C 1875370099 BNIDMZAFFZTJLU-UHFFFAOYSA-N 222.313 1.524 30 50 BDEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169968958 KENDLRLNVAAMHD-UHFFFAOYSA-N 249.119 1.780 30 50 BDEA in-vitro Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N 169747195 BWEOUBYDXFBFMA-UHFFFAOYSA-N 234.108 1.271 30 50 BDEA CCOc1ccccc1/C=N/NC(N)=S 5598918 LEUDDSAVHRMERK-KPKJPENVSA-N 223.301 1.252 30 50 BDEA COCCO[C@@H]1CCN(c2ccnc(C#N)c2)C1 286834761 ZLWGVWDKPFQJQI-CYBMUJFWSA-N 247.298 1.195 30 50 BDEA C=CCNC(=S)NCc1ccc(F)cc1 2994422 HKZLITSKIVWTPS-UHFFFAOYSA-N 224.304 1.976 30 50 BDEA COC1=C(Cl)C(=O)C(Cl)=C(OC)C1=O 3070213 NNPJTCNMGHLMCT-UHFFFAOYSA-N 237.038 1.332 30 50 BDEA N#Cc1ccc(/C=C2/SC(=N)NC2=O)cc1 4953558 GYWNZSRCRSOTJB-WEVVVXLNSA-N 229.264 1.697 30 50 BDEA C=C(C)CS(=O)(=O)N[C@H]1CC[C@H](F)C1 335953135 VFFHBBHALCOZHC-IUCAKERBSA-N 221.297 1.373 30 50 BDEA N#Cc1cccc(N2CC(c3ccccn3)C2)n1 71771200 KMGPZFXUHAUAAT-UHFFFAOYSA-N 236.278 1.952 30 50 BDEA CC#CC(=O)Nc1ccc2c(c1)C(=O)CCO2 1875363279 SWJACOHIBBTOQD-UHFFFAOYSA-N 229.235 1.614 30 50 BDEA CC1(C)OB(c2ccccc2N)OC1(C)C 169743296 ZCJRWQDZPIIYLM-UHFFFAOYSA-N 219.093 1.568 30 50 BDEA in-vitro N#Cc1ccc(NC(=O)/C=C/C(=O)O)cc1 116586 RPHFOECPERWGCT-AATRIKPKSA-N 216.196 1.138 30 50 BDEA N/C(CCn1cnc2ccccc21)=N/O 12360482 NTPXAUUVKOTUGX-UHFFFAOYSA-N 204.233 1.173 30 50 BDEA in-vitro C=CCn1nc(CC(=O)O)c2ccccc2c1=O 62702141 BOYGFRZCELCKDQ-UHFFFAOYSA-N 244.250 1.210 30 50 BDEA CN(/N=C/CSc1ccccc1)/C(N)=N/O 43761382 OAWDHFUXOYLTTH-KPKJPENVSA-N 238.316 1.400 30 50 BDEA CCc1ccc(N2C[C@H](/C(N)=N/O)CC2=O)cc1 221630593 ZMCWMQJZTWZLEV-SNVBAGLBSA-N 247.298 1.348 30 50 BDEA O/N=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 253393463 SVFZGSIUSSQSRE-YEYATFEDSA-N 204.229 1.035 30 50 BDEA CC1=CC(=O)/C(=C/c2ccc(O)c(O)c2)O1 14556077 NLZQGBCUKNUDED-SDQBBNPISA-N 218.208 1.942 30 50 BDEA biogenic,in-vitro C[C@@H]1O[C@H]1C(=O)N(C)CC1CCCCC1 2325892877 NMTKJDIOIVWXHD-GXSJLCMTSA-N 211.305 1.812 30 50 BDEA CC(=O)Oc1ccc(C(=O)C[N+]#N)cc1 2028812 HIZYOESVHJRGCC-UHFFFAOYSA-N 205.193 1.648 30 50 BDEA N#CCC(=O)N(Cc1ccncc1)C1CC1 274164599 HTAWKOOOWPLMDX-UHFFFAOYSA-N 215.256 1.486 30 50 BDEA COC(=O)c1sc(SC)c(C#N)c1N 96285 VBXBCNWDAJLZOC-UHFFFAOYSA-N 228.298 1.710 30 50 BDEA in-vitro Cc1ccc(/C(O)=N/c2nn[nH]n2)cc1C 8550672 WVUNUIZCIQDASX-UHFFFAOYSA-N 217.232 1.453 30 50 BDEA C=CCc1c(O)n2c(nc1=O)SCCC2 100727397 JKEHOUVGJHNYPY-UHFFFAOYSA-N 224.285 1.173 30 50 BDEA N#Cc1c(Cl)cccc1-n1cncn1 4110217 WOAFJVVJCURVIM-UHFFFAOYSA-N 204.620 1.792 30 50 BDEA CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C)C#N)CCO1 181201765 QRYNFAGLRGTKBP-GARJFASQSA-N 224.304 1.610 30 50 BDEA N/C(S)=N/Nc1cccc2cccnc12 13545899 QGYANHLPCAIMGF-UHFFFAOYSA-N 218.285 1.806 30 50 BDEA CC1(C)OB(c2ccnc(F)c2F)OC1(C)C 203634214 GTIQBAKMCOOWIS-UHFFFAOYSA-N 241.046 1.659 30 50 BDEA O=C(/C=C/c1cc[n+]([O-])cc1)c1cccnc1 25664546 YNTJGHZQOOWRES-ONEGZZNKSA-N 226.235 1.611 30 50 BDEA CCSC(=S)N[C@H]1CC[S@@+](=O)(O)C1 409415406 GMFWWWRXSCJENM-LURJTMIESA-P 240.395 1.359 30 50 BDEA COC(=O)[C@]1(C)O[C@@H]1c1ccc2c(c1)OCO2 231226632 NEWFBAYQRLTJTP-ZYHUDNBSSA-N 236.223 1.418 30 50 BDEA COC(=O)N(C)c1ccc(OC[C@H]2CO2)cc1 1875379316 PRVAVTYHZRLESO-NSHDSACASA-N 237.255 1.667 30 50 BDEA C[C@H](NC(=O)[C@@H]1CO1)c1ccc(C#N)cc1F 1875372861 OBCQZXKYBADHGT-CPCISQLKSA-N 234.230 1.273 30 50 BDEA CSCOCC[C@H](O)C#C[Si](C)(C)C 169834749 DTUBVPCHACHADV-JTQLQIEISA-N 232.421 1.955 30 50 BDEA COc1cc(/C=N/O)nc(-c2ccccn2)c1 96300330 JCTRJRHLGOKMCF-RIYZIHGNSA-N 229.239 1.960 30 50 BDEA biogenic,in-vitro C=CCN1CCN(C(=O)c2cc(C)oc2C)CC1 55060328 LFKNZYYFLFBUAE-UHFFFAOYSA-N 248.326 1.840 30 50 BDEA COC(=O)[C@H](C)c1cccc(NC(=O)CC#N)c1 424063707 YDAGFEAUWOVFBL-SECBINFHSA-N 246.266 1.815 30 50 BDEA O/C(Cc1ccon1)=N/CCN1CC=CCC1 330045514 DJLXOHCIOUYNSM-UHFFFAOYSA-N 235.287 1.436 30 50 BDEA CCN(CC#N)C(=O)[C@H]1CCCO[C@H]1C 336082597 FTVJBGHZTRVFNS-UWVGGRQHSA-N 210.277 1.174 30 50 BDEA COc1cc(C)ccc1NC(=O)CC#N 34797475 TVEOEZHQZAFSCN-UHFFFAOYSA-N 204.229 1.856 30 50 BDEA COC(=O)c1ccc(Br)c(C#N)n1 71864416 GVHAAOWHVZMDRP-UHFFFAOYSA-N 241.044 1.502 30 50 BDEA C=CCC(=O)N1CCC2(CCNCC2)CC1 71748552 SLATUMNMMFBXIA-UHFFFAOYSA-N 222.332 1.555 30 50 BDEA C=CCC1(O)CN(C(=O)OC(C)(C)C)C1 86716130 FKWKYNRMMWHMEF-UHFFFAOYSA-N 213.277 1.544 30 50 BDEA O=C(O)C[n+]1ccc(-c2ccccc2)cc1 95918084 BFIZFTFVELMKQY-UHFFFAOYSA-O 214.244 1.726 30 50 BDEA CC1(C)OB(c2ccn3ccnc3c2)OC1(C)C 169810101 ZZHAKZUFNIDWIA-UHFFFAOYSA-N 244.103 1.634 30 50 BDEA Cc1cc(C#N)nc(N[C@H](CO)C(C)(C)C)n1 241435121 NKUGVXRXWGCGEN-SNVBAGLBSA-N 234.303 1.476 30 50 BDEA CN1[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)CC2 67786440 FPEYYYCMGRQRPO-QWHCGFSZSA-N 242.326 1.626 30 50 BDEA N#Cc1ccc(N2CC(c3cccnc3)C2)nc1 71774501 JNHXMAAJNAIMMY-UHFFFAOYSA-N 236.278 1.952 30 50 BDEA C#CCN(CCc1ccncc1)C1CSC1 583651754 RXWVIIUEBSOGFY-UHFFFAOYSA-N 232.352 1.675 30 50 BDEA C#CCN(C)S(=O)(=O)C1Cc2ccccc2C1 170619217 XCKRYNJUNRVGCM-UHFFFAOYSA-N 249.335 1.049 30 50 BDEA CC(=O)Oc1ccc(Cn2cnc(C#N)n2)cc1 225463992 DZNWFVUDVNLGTI-UHFFFAOYSA-N 242.238 1.123 30 50 BDEA C#C[C@@H](OCC)n1nnc2ccccc21 5335231 AWZFBWSBIRBMNW-LLVKDONJSA-N 201.229 1.600 30 50 BDEA C=CCC[C@H](O)CN1C[C@@H](C)O[C@H](C2CC2)C1 328588833 RFQHJDSIHSMIEA-XBFCOCLRSA-N 239.359 1.813 30 50 BDEA CC(=O)/C=C1\C(=O)N(C)c2ccccc21 36382609 CZKBLHCEDVWPRN-YFHOEESVSA-N 201.225 1.635 30 50 BDEA biogenic,in-vitro C=CC(=O)N[C@@H](C)c1cccc(C#N)c1 1356522336 IFLJHZPZWLBHTP-VIFPVBQESA-N 200.241 1.921 30 50 BDEA COc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169807764 DMKREZLZDOSDQU-UHFFFAOYSA-N 234.104 1.994 30 50 BDEA in-vitro CCOC(=O)[C@H](C#N)C(=O)/C=C/c1ccccc1 3086265 CVPFLDSQIIUCJD-IDVQTMNDSA-N 243.262 1.972 30 50 BDEA Cc1ccc(O)cc1B1OC(C)(C)C(C)(C)O1 206123675 VYEXCFTWIDNOKN-UHFFFAOYSA-N 234.104 2.000 30 50 BDEA in-vitro N#Cc1ccc(F)c(NC(=O)[C@H]2CCCO2)c1 585125099 GMPOTISENDDDJY-LLVKDONJSA-N 234.230 1.815 30 50 BDEA Cc1csc([S@@](=O)CCCC#N)n1 123328644 PQZVQXLZGDNLEF-CYBMUJFWSA-N 214.315 1.863 30 50 BDEA CC1(C)OB(/C=C/CCCO)OC1(C)C 206031073 QCNWVQQSFNUBCW-SOFGYWHQSA-N 212.098 1.947 30 50 BDEA CS(=O)(=O)Nc1ccc(CC#N)cc1 453506 IABBFZUIRINZBY-UHFFFAOYSA-N 210.258 1.124 30 50 BDEA Cn1ncc(C#N)c1/N=C/N1CCCCC1 101072092 JUSMNEVKVQGNRX-UKTHLTGXSA-N 217.276 1.437 30 50 BDEA CC[C@H](C#N)NC(=O)[C@]1(C)CC1(F)F 335021664 MFTNEZMSPWXQAQ-SVRRBLITSA-N 202.204 1.450 30 50 BDEA O/C(CCc1nc[nH]n1)=N/[C@@H]1CC=CCC1 330231436 DZGDMQFWLKAYRV-SECBINFHSA-N 220.276 1.803 30 50 BDEA C#C[C@@H](NC(=O)NCc1cncc(C)c1)C(C)C 252507034 WFHMPKBMYIQVAF-CYBMUJFWSA-N 245.326 1.847 30 50 BDEA CC#CC(=O)NCC[C@@H](CC)n1cccn1 1875379088 MZNBZCBDWDETNZ-LLVKDONJSA-N 219.288 1.364 30 50 BDEA C#CC1(OC[C@@H](O)CN(C)C)CCCCC1 16650841 MDBNHHSYQAVGHZ-LBPRGKRZSA-N 225.332 1.262 30 50 BDEA c1ccc(CN=C2NC[C@H]3CCC[C@@H]3N2)cc1 1875278731 ZEDZBUPFMLXPLL-OLZOCXBDSA-N 229.327 1.904 30 50 BDEA C#CCOC(=O)Nc1ccc(OC)cc1 2552015 HTNRKTLBTQUEEU-UHFFFAOYSA-N 205.213 1.877 30 50 BDEA CN1CCc2nc3sc(C#N)c(N)c3cc2C1 20661111 LQOHZCCLCRXXQV-UHFFFAOYSA-N 244.323 1.738 30 50 BDEA Cc1ocnc1C/N=C(/O)Nc1cnn(C)c1 329190742 RDZRZWKLKDRJTG-UHFFFAOYSA-N 235.247 1.243 30 50 BDEA COC(=O)c1ccc(C(C#N)C#N)cc1 575442357 CUQCLYPMXVWDDK-UHFFFAOYSA-N 200.197 1.604 30 50 BDEA C=CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1338395830 XUEJQIHMNFUORO-GFCCVEGCSA-N 212.252 1.328 30 50 BDEA CC1(C)COB(c2ccc(C#N)cc2)OC1 169903890 BAIHMVOJDPTWSS-UHFFFAOYSA-N 215.061 1.326 30 50 BDEA in-vitro C/C(=N\N=C1/NC(=O)CS1)c1ccccc1 4610418 FRESUAXYVQVOGJ-MDWZMJQESA-N 233.296 1.630 30 50 BDEA C=CCC[C@@H](C)N[C@H]1CCC(=O)N(C)C1 126845892 VPKODQMAZWKQKZ-MNOVXSKESA-N 210.321 1.552 30 50 BDEA CC1=C2CC[C@@]2(CO)[C@@]2(O)CC(C)(C)C=C2C1=O 2332918153 NEUACERECJKPNT-LSDHHAIUSA-N 248.322 1.746 30 50 BDEA COc1ncc(Br)cc1C#N 15021223 FRKLCMNRGGZZTQ-UHFFFAOYSA-N 213.034 1.724 30 50 BDEA in-vitro Cc1cc(C)c(C(=O)OCC(=O)C2(C#N)CC2)[nH]1 2325810109 PZJXHOHYTSFENM-UHFFFAOYSA-N 246.266 1.661 30 50 BDEA Cc1cc(C(=O)NC2(C#N)CCCC2)cc(O)n1 133660153 BOBVAVGTNLFWGX-UHFFFAOYSA-N 245.282 1.662 30 50 BDEA Cc1cc(CN(C)C[C@@H]2C[C@@H]2C#N)no1 888096454 VPBQZCOGPVPRNP-ZJUUUORDSA-N 205.261 1.575 30 50 BDEA C#CCN(C)C(=O)[C@@H](OCC)c1ccccc1 191139995 LIMVPJGFQSYOKD-ZDUSSCGKSA-N 231.295 1.856 30 50 BDEA O=C(NCc1cccc(OC(F)F)c1)[C@H]1CO1 1875372706 LDBHIUXHUXGDKK-SECBINFHSA-N 243.209 1.303 30 50 BDEA N#Cc1c2n(c3c(=O)[nH]cnc13)CCCCC2 5072977 GWDBHQFZVJQLQT-UHFFFAOYSA-N 228.255 1.323 30 50 BDEA CC(C)(/C=N/O)/N=[N+](/[O-])C(C)(C)/C=N/O 226937074 IUZOTYLWUPOGAH-PWYHJGTOSA-N 216.241 1.426 30 50 BDEA COC(=O)/C=C1\NC(C)(C)CC12C=CC(=O)C=C2 4632256 NYJLCWKSQVCFHH-FLIBITNWSA-N 247.294 1.497 30 50 BDEA N/C(Cc1ccc(Br)cc1)=N\O 2547093 WHICEIACQGPSMU-UHFFFAOYSA-N 229.077 1.738 30 50 BDEA N[C@H](CCCC/N=C/c1ccccc1)C(=O)O 34215675 COOFECBQXGJZTA-JXCQQFQQSA-N 234.299 1.688 30 50 BDEA C[C@@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)nc1 133816511 IHCXAKUJIUUOJO-GXFFZTMASA-N 247.298 1.559 30 50 BDEA N#Cc1cc(Cn2ccnc2)ccc1F 160612649 DLSFYJWZTHWUKG-UHFFFAOYSA-N 201.204 1.942 30 50 BDEA N#Cc1c(Nc2ccccc2)c(C=O)c[nH]c1=O 285549 JVBPGGUTMMPPPF-UHFFFAOYSA-N 239.234 1.803 30 50 BDEA CCCCCCC[C@H](O)CCC(N)=O 238235621 QTSYNGDMPSZXFH-JTQLQIEISA-N 201.310 1.973 30 50 BDEA CC#CCCSc1nnc2nc(O)c(C)nn12 155292569 ONKLJGCGXLGFCJ-UHFFFAOYSA-N 249.299 1.039 30 50 BDEA CC(=O)/N=C1/NC(=O)/C(=C/c2ccccc2)S1 12341804 QMKPYQOFBUYLQJ-YFHOEESVSA-N 246.291 1.793 30 50 BDEA C#C[C@@](C)(CC1(C)OCCO1)OC(C)=O 4948118 KMKWAVBZUBIPHF-JTQLQIEISA-N 212.245 1.095 30 50 BDEA COC(=O)[C@@H]1C(=O)C=C(N2CCCC2)C[C@H]1C 5369335 LWAWNYQOTFYULG-SKDRFNHKSA-N 237.299 1.364 30 50 BDEA C#CCNC(=O)Cc1ccccc1Cl 22760617 AGBIIRQFQJSENM-UHFFFAOYSA-N 207.660 1.632 30 50 BDEA C[C@H](Oc1ccc(C#N)cc1)C(=O)/C=C/N(C)C 3134326 ACLQWJMVPLTPKF-FBOQAHMBSA-N 244.294 1.970 30 50 BDEA C#CC(C)(C)OC[C@@H](O)CN1CCC[C@@H](C)C1 35052911 QBIWSPOTLCNNAA-OLZOCXBDSA-N 239.359 1.508 30 50 BDEA CC#CC(=O)NCCN(C)c1cccc(C)c1 1875378807 KHKNWRFJBCRMLZ-UHFFFAOYSA-N 230.311 1.571 30 50 BDEA Cc1coc(C(=O)NCC#C[C@@H]2CCCCO2)c1 891107314 BNMKLLBMNHYDRG-LBPRGKRZSA-N 247.294 1.890 30 50 BDEA CC1(C)OB(c2csc(CO)c2)OC1(C)C 169746685 IBPANZFESPGCOB-UHFFFAOYSA-N 240.133 1.540 30 50 BDEA in-vitro CC1(C)CC[C@@H](CO)N(c2ccc(C#N)cn2)C1 585132710 OFWRRBVWDAYKBK-LBPRGKRZSA-N 245.326 1.941 30 50 BDEA NC(N)=N/N=C/c1ccc(-c2ccccc2)cc1 6116709 KBXNOPYJIHLROM-LICLKQGHSA-N 238.294 1.961 30 50 BDEA C=CCSCC(=O)NC[C@@H]1CCCN(C)C1 67855619 NHXWTZBSCXAMNN-NSHDSACASA-N 242.388 1.364 30 50 BDEA C[C@H]1CN(C(=O)NCCC#N)C[C@@H](C2CC2)O1 335881129 GHIKCNMSZWKNMF-ONGXEEELSA-N 237.303 1.109 30 50 BDEA CC(C)(C)OC(=O)N1CCOC[C@@]2(CO2)C1 148851037 FRFINYDYCUOIEK-LLVKDONJSA-N 229.276 1.023 30 50 BDEA Clc1ccc(/C=N/n2cnnc2)cc1 229085 QFLVUSRWTQWZLK-WLRTZDKTSA-N 206.636 1.814 30 50 BDEA CCCCOS(=O)(=O)OCCCC 2031656 LMEDOLJKVASKTP-UHFFFAOYSA-N 210.295 1.865 30 50 BDEA in-vitro COC(=O)c1cc2ccc(C#N)cc2[nH]1 4234989 VDOVWALYWVUEQR-UHFFFAOYSA-N 200.197 1.826 30 50 BDEA in-vitro c1ccc(CN=C2NC[C@H]3CCC[C@H]3N2)cc1 1875278730 ZEDZBUPFMLXPLL-CHWSQXEVSA-N 229.327 1.904 30 50 BDEA C=C(C)COc1ccc(C(N)=O)cc1OC 6701196 CWNLKGUKMGZXPY-UHFFFAOYSA-N 221.256 1.749 30 50 BDEA C=C(C)C(=O)OCCN1CCCCCC1 114768079 NDMILKJWVUBFFF-UHFFFAOYSA-N 211.305 1.982 30 50 BDEA CC[C@](C)(C#N)C(=O)N1CCO[C@@H](CF)C1 335225092 UUHYPBXCBXQCKC-GXSJLCMTSA-N 228.267 1.123 30 50 BDEA Cc1c(C#N)c(N)n(C[C@@H]2CCCO2)c1C 6668663 IRXYPAVDHUPTCC-JTQLQIEISA-N 219.288 1.738 30 50 BDEA C=CCN(CC1CCCCC1)C(=O)CCN 237840874 MAOJCVNLQDQSLF-UHFFFAOYSA-N 224.348 1.930 30 50 BDEA COc1cccc([C@@H]2C[C@@H](O)CN2CCC#N)c1 253623524 YDHHYLLYJLTCPY-OCCSQVGLSA-N 246.310 1.717 30 50 BDEA N#CCC[n+]1noc(O)c1Cc1ccccc1 44123418 UWINYGDATREZAS-UHFFFAOYSA-O 230.247 1.172 30 50 BDEA CC[C@]1(CO)CCCN(c2cccc(C#N)n2)C1 91270228 CTEZCDRBFBWVFI-AWEZNQCLSA-N 245.326 1.942 30 50 BDEA CC1(C)OB(c2ccc(F)cc2O)OC1(C)C 206118220 PSQUBOBJDBVJIN-UHFFFAOYSA-N 238.067 1.831 30 50 BDEA in-vitro C[Si](C)(C)C#Cc1cc(Cl)nnc1N 169988927 VNYKJKNAIUJAHJ-UHFFFAOYSA-N 225.755 1.941 30 50 BDEA CN1CCN(Cc2cccc(C#N)c2)CC1 19487371 NNYDAONDPGWBRI-UHFFFAOYSA-N 215.300 1.306 30 50 BDEA in-vitro Fc1cc(Cl)c(OC[C@H]2CO2)cn1 1857779716 CFLODLAVXQGMLE-RXMQYKEDSA-N 203.600 1.652 30 50 BDEA CN(CCC#N)[C@@H]1CC(=O)CCC1(C)C 725361306 MUHUQXNKVZZJJG-LLVKDONJSA-N 208.305 1.980 30 50 BDEA CCC#CCN1CCC2(CCC(=O)NC2)CC1 670440165 UAMHDPDTTVMFLK-UHFFFAOYSA-N 234.343 1.392 30 50 BDEA N#CCN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 334299351 QOVWUEVPLXFXCF-SKDRFNHKSA-N 238.237 1.596 30 50 BDEA CC(=O)Nc1ccc(OC[C@@H]2CO2)cc1 165941 OQAKYHCGYGLHAZ-LLVKDONJSA-N 207.229 1.423 30 50 BDEA in-vitro CC(C)Cc1c(C#N)c(N)nc(S)c1C#N 51264 RULQJSDYJWOUSA-UHFFFAOYSA-N 232.312 1.894 30 50 BDEA N#CCNS(=O)(=O)c1ccc(Cl)cc1 2058265 IBWFPJGDOBWFRS-UHFFFAOYSA-N 230.676 1.142 30 50 BDEA Cc1nc2ccccn2c1C(=O)OCC#N 4217510 IBLRXRCYPCOOIK-UHFFFAOYSA-N 215.212 1.323 30 50 BDEA CC#CC(=O)N[C@@H](C)COC(F)(F)F 1875309001 MBTMQUANGHRERL-LURJTMIESA-N 209.167 1.051 30 50 BDEA CCN(Cc1ccc2[nH]ccc2c1)C(=O)[C@H]1CO1 1875373052 SPYVPRODRYKCNP-CYBMUJFWSA-N 244.294 1.915 30 50 BDEA COc1cc(N/N=C/c2ccccc2O)ncn1 4595657 KWHBUWIPMKCGAI-VIZOYTHASA-N 244.254 1.637 30 50 BDEA CCOC(=O)C(=O)c1cccc(C#N)c1 2245426 GECHQYJYTIZQSB-UHFFFAOYSA-N 203.197 1.304 30 50 BDEA O/C(Cc1ccon1)=N/[C@@H]1CCCOC1 329502800 GOHODCDMVXCXBR-SECBINFHSA-N 210.233 1.353 30 50 BDEA C=CCn1c(=O)sc2cc(N)ccc21 67631082 RBZIUOZSLRQZSI-UHFFFAOYSA-N 206.270 1.831 30 50 BDEA Cc1nn(CC#N)c(=O)n1-c1cccc(F)c1 4072892 GAZRBGPPBOYNRU-UHFFFAOYSA-N 232.218 1.005 30 50 BDEA C=CC[C@H](CC)NC(=O)Nc1ccncn1 281427119 DXDVMGVSOOPURG-VIFPVBQESA-N 220.276 1.953 30 50 BDEA CC1(NC(=O)c2ccc(C#N)[nH]2)CCC1 125089154 HZAJLNOKCNOWOZ-UHFFFAOYSA-N 203.245 1.559 30 50 BDEA Cc1cnc(CN=C(N(C)C)N(C)C)s1 252549698 RRXQQKRCTAIYNQ-UHFFFAOYSA-N 226.349 1.431 30 50 BDEA N#CCC(=O)NCCOc1ccccc1 4713642 LVYLVSVOBJBWGV-UHFFFAOYSA-N 204.229 1.095 30 50 BDEA COC/C(O)=N/C[C@H]1CCO[C@@H]1C(C)C 328610791 JCWUAVBBBLFTKA-MWLCHTKSSA-N 215.293 1.650 30 50 BDEA N#CC1(C(=O)N[C@H]2CC[C@H](F)C2)CCC1 336401250 GTRDZEXIMIHQOX-IUCAKERBSA-N 210.252 1.687 30 50 BDEA CCS(=O)(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 130492945 ICFCZNLJNQCWKC-ZJUUUORDSA-N 230.333 1.398 30 50 BDEA CC1(C)C[C@H](O)CCN(c2cc(C#N)ccn2)C1 296176147 ZSGTVDVUSSEVFG-GFCCVEGCSA-N 245.326 1.941 30 50 BDEA C#C[C@H](CO)NC(=O)Nc1c(C)cccc1C 585140971 NIQIWSKTTRJAAJ-LLVKDONJSA-N 232.283 1.419 30 50 BDEA C/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4611282 HQCKILLUHIBFRM-SWGQDTFXSA-N 226.243 1.924 30 50 BDEA C#CCOc1ccc(CO)cc1Br 2093456 CRBPKKHGURQIGM-UHFFFAOYSA-N 241.084 1.953 30 50 BDEA O=C1c2ccccc2C(=O)N1[C@H]1CC/C(=N/O)C1 306303535 AXDDETXWXIGFAP-JNNKLVPLSA-N 244.250 1.665 30 50 BDEA C=C/C(O)=N/C[C@H](Cc1cnn(C)c1)C(=N)O 328599903 UHOYFPURHKUMNY-VIFPVBQESA-N 236.275 1.257 30 50 BDEA N#Cc1ncn(Cc2ccc(Cl)nc2)c1C#N 134175861 LZRWUUBKIXHVOO-UHFFFAOYSA-N 243.657 1.723 30 50 BDEA C=C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)O1 86014508 FNTSQPKTSPKZHB-ZETCQYMHSA-N 213.233 1.928 30 50 BDEA O/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@@H]4[C@H]3C[C@H]2[C@@H]14 253388939 JWHDYBQMUQNNIA-IJDZOTIPSA-N 206.245 1.569 30 50 BDEA C=CCNS(=O)(=O)c1ccc(OC)c(C)c1 2094013 CYVSKMFJWUPDGS-UHFFFAOYSA-N 241.312 1.468 30 50 BDEA N#Cc1ccc(NC[C@@H](CO)[C@@H]2CCOC2)cn1 330073849 KSGHRLXMLKOYAF-MNOVXSKESA-N 247.298 1.010 30 50 BDEA Cc1n[nH]c(=S)n(/N=C/c2ccccc2)c1=O 5696941 MOOMLGXYYAWRCU-KPKJPENVSA-N 246.295 1.492 30 50 BDEA CCOC(=O)/C(C#N)=N/OC(=O)OC(C)(C)C 207479335 GTIPXWMOYWXFBG-KPKJPENVSA-N 242.231 1.381 30 50 BDEA c1ccc(C/N=C2/NC[C@@H]3CSCCN23)cc1 1775997383 CWIFXLVFXIZUFB-GFCCVEGCSA-N 247.367 1.563 30 50 BDEA C=C1CC(C)(C(=O)N2CCC[C@H](C(=O)O)C2)C1 908599154 QAQLYEZDYDDSCY-JTQLQIEISA-N 237.299 1.666 30 50 BDEA N#Cc1ccc(Cn2ccncc2=O)c(F)c1 310413776 MMLDCKYDDUWTKT-UHFFFAOYSA-N 229.214 1.302 30 50 BDEA C(=N/n1ccnn1)\[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2325791755 ILCZOLPRBIUFLP-UQOOCLANSA-N 202.261 1.404 30 50 BDEA CC1=C2[C@H](O)C[C@]2(C)[C@]2(O)CC(C)(C)C=C2C1=O 2332918144 LPGKCXYXGAAALV-ONERCXAPSA-N 248.322 1.744 30 50 BDEA C=C/C(O)=N/[C@H]1CCCN(c2cnn(C)c2)C1 328600377 XPEDSAMZVDYXKE-JTQLQIEISA-N 234.303 1.531 30 50 BDEA N#Cc1cc(N)cc(Br)c1N 95494808 IKSPSVLLVGFKQX-UHFFFAOYSA-N 212.050 1.485 30 50 BDEA Cc1ccc(C#N)c(N2CC(C)(C)[C@@](C)(O)C2)n1 91829756 VUQSTNDSEIMQMX-AWEZNQCLSA-N 245.326 1.859 30 50 BDEA N#Cc1sccc1-c1cnc(C(=O)O)nc1 675069476 HQHOCTDCDLRBRJ-UHFFFAOYSA-N 231.236 1.775 30 50 BDEA O=C(NCC1CC[C@@H]2[C@@H](CC1)C2(F)F)[C@@H]1CO1 1875373149 VDAOHZZPGCKFTD-BBBLOLIVSA-N 245.269 1.573 30 50 BDEA C[C@@H]1CN(C(=O)[C@@H]2CO2)[C@@H](c2ccccc2)CO1 1875372430 FXVHKMKKDMTKDH-RTXFEEFZSA-N 247.294 1.374 30 50 BDEA CC1(C)OB(c2cncc(O)c2)OC1(C)C 169746126 YFHUGWJAGOEACU-UHFFFAOYSA-N 221.065 1.086 30 50 BDEA in-vitro CC1(C)COB(c2ccc(F)cc2)OC1 169806910 GWWSSPCPSWVJRZ-UHFFFAOYSA-N 208.041 1.594 30 50 BDEA in-vitro C=CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 2575673 RFHPQLCVYMBPRF-QMMMGPOBSA-N 229.276 1.931 30 50 BDEA in-vitro CC1(C)OB([C@@H]2CC=CCN2)OC1(C)C 1857787076 DMJSIKPIDVTHIM-VIFPVBQESA-N 209.098 1.536 30 50 BDEA N#Cc1cc(F)nc(Br)c1 263623291 GGPFSINFSWLNME-UHFFFAOYSA-N 200.998 1.855 30 50 BDEA C=C(C)COc1ccc(NC(=O)NCCN)cc1 299780526 CSHRZJOWBDWDRT-UHFFFAOYSA-N 249.314 1.722 30 50 BDEA O=C(NCC1CC[C@@H]2[C@@H](CC1)C2(F)F)[C@H]1CO1 1875373151 VDAOHZZPGCKFTD-OPRDCNLKSA-N 245.269 1.573 30 50 BDEA CCOC(=O)CNc1nc(C)cc(C)c1C#N 37564172 MTMXTABURXWLLJ-UHFFFAOYSA-N 233.271 1.545 30 50 BDEA in-vitro CC(C)(C)OC(=O)N1CCC[C@H]1/C(N)=N/O 55167403 NUMIITGLIZNJIC-ZETCQYMHSA-N 229.280 1.132 30 50 BDEA in-vitro COC(=O)[C@H](C#N)[C@@H]1CCOC(C)(C)C1 670419816 BSWIPSIIGDOSRV-RKDXNWHRSA-N 211.261 1.504 30 50 BDEA CC1(C)CCC(=O)C2=C1C(=O)C[C@H]2CC(=O)O 19908294 ONJVZUQGBSNDBS-ZETCQYMHSA-N 236.267 1.736 30 50 BDEA CCN1C[C@@H](Nc2ccc(C#N)nn2)C(C)(C)C1 722276773 OKJAUSPGXJDKKA-LLVKDONJSA-N 245.330 1.490 30 50 BDEA C=CCOc1ccc(Cl)cc1CNCCO 2862242 AXEBYRWFFMJVBQ-UHFFFAOYSA-N 241.718 1.987 30 50 BDEA N/C(=N/O)c1ccc(Br)s1 36893253 HCORWIKGUAIWEX-UHFFFAOYSA-N 221.079 1.605 30 50 BDEA in-vitro C=CCNC(=O)CCN(C)[C@@H](C)c1ccncn1 244795937 RQCACQUCAJNGPU-NSHDSACASA-N 248.330 1.162 30 50 BDEA N#Cc1ccc2c(CN3CCOCC3)c[nH]c2c1 259444912 NIUDIKCRIRDALN-UHFFFAOYSA-N 241.294 1.872 30 50 BDEA CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC#N 585087946 CVGBUMQNAXEVRT-UHFFFAOYSA-N 249.226 1.846 30 50 BDEA Cc1nnc(C)n1/N=C/c1ccccn1 72738 LADQJXUMXMWBIA-KPKJPENVSA-N 201.233 1.172 30 50 BDEA N#Cc1nccc(NCC2CCSCC2)n1 309365300 OPJSBYSCWHGOSD-UHFFFAOYSA-N 234.328 1.903 30 50 BDEA C=C[C@@H](C)OC(=O)c1cc(C)nc(O)c1 187600774 APMAOEOZTFRNPQ-MRVPVSSYSA-N 207.229 1.827 30 50 BDEA C=C(OC)[C@H](C(=O)OC)[C@H](O)c1ccccc1 43199165 ZZJKSQURLGQKBV-NWDGAFQWSA-N 236.267 1.669 30 50 BDEA CC#CC(=O)N[C@@H]1CC[C@H](Oc2ccncc2)C1 1875376578 BJCUPDCWBTYRHJ-YPMHNXCESA-N 244.294 1.521 30 50 BDEA CC(C)(C)OC(=O)N1CCC(N)(C#N)CC1 43827901 ZDAOYEIIJSEFSW-UHFFFAOYSA-N 225.292 1.238 30 50 BDEA in-vitro C[C@@H](C(=O)NCc1ccnc(C#N)c1)C1CC1 1568547191 YYDDZJNCAPCVMA-SECBINFHSA-N 229.283 1.616 30 50 BDEA N#Cc1ccc(N2CC[C@@H]3CNC[C@@H]32)cc1 209509292 DLZLUJOMHPANQW-YPMHNXCESA-N 213.284 1.356 30 50 BDEA CC(=O)NC1=CC(=O)c2ccccc2C1=O 1634051 CHRDDMHFEJSYTL-UHFFFAOYSA-N 215.208 1.086 30 50 BDEA C=CCOC[C@H](O)C[S@](=O)CCCC 4947877 LDZJGCBPDVYSKY-HZMBPMFUSA-N 220.334 1.099 30 50 BDEA N#Cc1ccc(N2CCC[C@@H](C(=O)O)C2)cn1 129096168 LKRLDWRVORDSHF-SECBINFHSA-N 231.255 1.254 30 50 BDEA COc1ccccc1B1OC(C)(C)C(C)(C)O1 169747223 ASDFSWMHZSWXPO-UHFFFAOYSA-N 234.104 1.994 30 50 BDEA in-vitro CO[C@@H]1CN(C(=O)[C@H](C)CC#N)CC[C@@H]1C 597540708 NNRMIMPKCZBBME-HBNTYKKESA-N 224.304 1.420 30 50 BDEA C=C1CC(CN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)C1 1875343034 NSLIQUVMSXMTTG-BKUVIOGVSA-N 247.294 1.115 30 50 BDEA N#Cc1ccnc(I)c1 12471703 RAMAPMJJBMFFEI-UHFFFAOYSA-N 230.008 1.558 30 50 BDEA C=C1CCN(S(=O)(=O)c2ccccn2)CC1 328800972 IVIIVDOXOAOACD-UHFFFAOYSA-N 238.312 1.422 30 50 BDEA Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C#N 307430455 JYUNTMLNIMKARP-UHFFFAOYSA-N 232.092 1.196 30 50 BDEA C=CC[N@+]12CCCC[C@@H]1[C@H](CO)CCC2 245310427 JICULMBMGKWYJH-BFHYXJOUSA-N 210.341 1.944 30 50 BDEA biogenic C[C@]1(c2cccs2)C[C@H]1CNC(=O)[C@H]1CO1 1875372421 FTZYFJFEFADFDE-SBMIAAHKSA-N 237.324 1.541 30 50 BDEA O=C1C=C[C@H](NC(=O)OCc2ccccc2)C1 36439416 ZGDZYLKOHBZJJM-NSHDSACASA-N 231.251 1.810 30 50 BDEA in-vitro CNC(=O)[C@H](C#N)C(=O)C1CCCCCCC1 170645594 PKYBADGHGQZJCI-LLVKDONJSA-N 236.315 1.802 30 50 BDEA Cc1oc(C#N)cc1C(=O)N1CC[C@@H]([C@@H](C)O)C1 408403403 BGABRYHLGBMTDQ-PSASIEDQSA-N 248.282 1.303 30 50 BDEA CCOc1cccc(/C=N/n2cnnc2)c1O 135887 MUGJVJHGLSJUTK-MKMNVTDBSA-N 232.243 1.265 30 50 BDEA CO/C(O)=N/c1nnc(-c2ccncc2)s1 1056464 XJXZKPNWNLLCSC-UHFFFAOYSA-N 236.256 1.792 30 50 BDEA C=C[C@H]1CCN(c2cc(N(C)C)nc(N)n2)C1 1704311423 IWGVWHNPWITCCD-VIFPVBQESA-N 233.319 1.137 30 50 BDEA C=CCN(C(=O)[C@@H](C)Cn1ccnc1)C1CC1 1614628319 OEAYFTVWBZWCSF-NSHDSACASA-N 233.315 1.696 30 50 BDEA CC(C)=NOc1nc(N)nc(NC(C)C)n1 12382668 PDLSBNTZCFGWJF-UHFFFAOYSA-N 224.268 1.049 30 50 BDEA COC(=O)c1cc2ccccc2n1CC#N 150222340 UBPOJAAWJZMIPB-UHFFFAOYSA-N 214.224 1.951 30 50 BDEA C(=N/N=C/c1ccccn1)\c1ccccn1 1693215 DMQJTSJKMFPBMN-KAVGSWPWSA-N 210.240 1.930 30 50 BDEA C=CCC[C@@H](C)NC[C@@]1(O)CCSC1 134927069 UMKPMUDXHLRZBP-MNOVXSKESA-N 215.362 1.799 30 50 BDEA CN(C[C@@H]1CCCN1C)c1cc(C#N)ccn1 92631225 WDUGFUFTFWFKRD-LBPRGKRZSA-N 230.315 1.484 30 50 BDEA CC[C@H](CC#N)NC(=O)c1nc(O)sc1C 585089466 PAUVUAKRGWLNRI-SSDOTTSWSA-N 239.300 1.579 30 50 BDEA C[C@@H](C#N)n1cc(-c2ccncc2N)cn1 1875330893 HPHNWTFXZCRTFM-QMMMGPOBSA-N 213.244 1.612 30 50 BDEA C[C@@H]1CN(C(=O)[C@@H]2CO2)C[C@@H](c2ccccc2)O1 1875372474 GULUYBSFPPQENK-WXHSDQCUSA-N 247.294 1.374 30 50 BDEA CCCn1nccc1B1OCC(C)(C)CO1 169794317 FFTMJZDZNIVUSW-UHFFFAOYSA-N 222.097 1.061 30 50 BDEA in-vitro COc1ccc(/C(=N/O)C(C)(C)NO)cc1 100602465 VRXDXYQUNCKLAZ-BENRWUELSA-N 224.260 1.631 30 50 BDEA C#CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 5479776 RQMOUGAVNFBSIC-UHFFFAOYSA-N 235.268 1.514 30 50 BDEA Cc1nn(-c2ccc(F)cc2F)c(N)c1C#N 14985492 PNSJVBVHKNJXCF-UHFFFAOYSA-N 234.209 1.913 30 50 BDEA CC[C@@H](CO)NCC#Cc1ccccc1 19871710 LTDPAXYPZLABGD-ZDUSSCGKSA-N 203.285 1.399 30 50 BDEA C#CCC[C@H](O)CN[C@H]1CCC[C@H](C)C1 309112768 KGNJDLUITLAMPE-AVGNSLFASA-N 209.333 1.929 30 50 BDEA