smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccccc1N1CCN(C/C(O)=N/c2ccc(C)cc2F)CC1 24865455 HQXCSBFPRQQRFO-UHFFFAOYSA-N 371.456 3.943 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 7702252 SSHNDDRYGZNICW-GOSISDBHSA-N 354.456 3.688 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O 13135480 DIOADHVUCQXKQL-UHFFFAOYSA-N 374.318 3.740 30 40 FHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 5124056 KSRPXQBWLYPLBL-SDLXJUDFSA-N 367.474 3.558 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1OCC 408560964 RLZJRXSINVHYLG-UHFFFAOYSA-N 374.510 3.936 30 40 FHEB CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCC#Cc1ccccc1 95451636 OQYNGXWQNYRALP-PGRDOPGGSA-N 370.493 3.628 30 40 FHEB CN(C)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409279118 GTJNJYBBYLVSSV-UHFFFAOYSA-N 364.449 3.985 30 40 FHEB CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(C#N)cc1 32855740 BMHHCVGPSYACEN-UHFFFAOYSA-N 368.380 3.539 30 40 FHEB CC(=O)Nc1ccc(/C=N\NC(=S)Nc2cccc3cccnc23)cc1 33736190 VJJAHTCQMLVBSA-MTJSOVHGSA-N 363.446 3.514 30 40 FHEB COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1O 5186570 XHVMZEWCJGJAAJ-YVLHZVERSA-N 354.431 3.909 30 40 FHEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 5214545 GKZSIDOZXCQUHH-BOPFTXTBSA-N 370.430 3.604 30 40 FHEB C#CC1(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CCCCC1 12419845 LIBKMQZWUQLYEQ-QFIPXVFZSA-N 355.522 3.655 30 40 FHEB CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2376357 PENQXNIWKBQDRA-OAHLLOKOSA-N 352.438 3.571 30 40 FHEB Cc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)no1 1354277 AKCJDZHEJWOCJR-UHFFFAOYSA-N 352.419 3.751 30 40 FHEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 100439925 YAUAALOIVRUZST-WOOAAIBNSA-N 374.371 3.847 30 40 FHEB Cc1cccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc12 4849023 BVTPGUWTADNFIO-UHFFFAOYSA-N 361.470 3.866 30 40 FHEB Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccoc2C)ccc1Cl 10666058 FFIVIJKVLPJSKV-UHFFFAOYSA-N 360.797 3.654 30 40 FHEB Cc1ccc([C@H](CNc2oc(C(C)(C)C)nc2C#N)N2CCOCC2)cc1 27793565 HTLIACAXGNCSQG-SFHVURJKSA-N 368.481 3.638 30 40 FHEB O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 20987413 BWSYOLOVNXXPBW-JYRVWZFOSA-N 351.815 3.751 30 40 FHEB N#CCC[C@@H](C#N)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 14196831 FQQIUVNROFZGIT-LBPRGKRZSA-N 352.394 3.708 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502369 YHRMIFSXFOSEOD-QRWLVFNGSA-N 360.417 3.904 30 40 FHEB N#CCCN(CCC#N)C(=O)CSc1nc2cc(Cl)ccc2s1 5780475 OCHVPRNGLHEFOV-UHFFFAOYSA-N 364.883 3.698 30 40 FHEB Cc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1[N+](=O)[O-] 408849668 XOFBWBLGEDJRJP-DHDCSXOGSA-N 357.366 3.934 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1 409199441 CSIPRUHCWYZYJP-UHFFFAOYSA-N 367.163 3.800 30 40 FHEB CC(C)(C)OC(=O)NC(C)(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202683905 KVWAABHPICEOIE-UHFFFAOYSA-N 361.291 3.746 30 40 FHEB C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 331975881 MLEKGWKSKPMGMJ-OXJNMPFZSA-N 356.466 3.523 30 40 FHEB C#CCSc1nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2n1 13637451 RBDXMFWNZWPQJG-UHFFFAOYSA-N 358.426 3.889 30 40 FHEB Cc1nc(Cl)nc([C@@H](C#N)c2nc3ccccc3[nH]2)c1Br 3128851 WADAVXDYEVLUNS-MRVPVSSYSA-N 362.618 3.733 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 792888 BJGVHFQECBKFPO-QGOAFFKASA-N 363.413 3.616 30 40 FHEB Cc1ccc(OCc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 934558 PMQCOQMTGZGYMP-UHFFFAOYSA-N 374.444 3.760 30 40 FHEB CCOc1ccc2c(c1)/C(=N/N=C1\C[C@@H](c3ccccc3)N=N1)C(=O)N2C 4184956 LTSMYVCXOYZSDC-DLPLUGEUSA-N 361.405 3.762 30 40 FHEB CC(=O)Nc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nn(C)c2Cl)cc1 4284980 FFUIDYNAKXSQNZ-BQYQJAHWSA-N 371.746 3.947 30 40 FHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccc(C)cc2)cc1 4906202 UONTWVWACGFWRX-GHJLDSRNSA-N 367.474 3.858 30 40 FHEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c(C)c1 6922367 JOCQOELIHFRNIL-UHFFFAOYSA-N 355.488 3.852 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7462674 YIYVXHAHAQMPRE-CQSZACIVSA-N 364.401 3.959 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 19314800 HUXPABBBZWQTPV-KRWDZBQOSA-N 370.405 3.516 30 40 FHEB C=CCNC(=S)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 41074149 PDPUEBICOQYILS-CIAFOILYSA-N 359.882 3.620 30 40 FHEB Cc1ccc(-c2nc(CO/N=C(/N)Cc3ccccc3Cl)no2)cc1 58404763 WNLVWZMPWWUZMD-UHFFFAOYSA-N 356.813 3.730 30 40 FHEB COC(=O)c1cc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1Cl 59678933 JYPQJBHXMDSXBU-KKBVUKDESA-N 361.781 3.729 30 40 FHEB COCCCNC(=S)N1/C(=N/c2ccc(Cl)cc2)SC[C@@H]1C 102909612 JAGUETIYHBAUCO-KLIGIEKFSA-N 357.932 3.676 30 40 FHEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225855502 OFEBCWNMHLQMDV-JLTOFOAXSA-N 358.438 3.798 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Cl)C1=O 409106766 OXNJXRJWQNHFET-RIYZIHGNSA-N 353.827 3.970 30 40 FHEB CCOc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1O 19791061 AIRSOJITXLPOPG-HZHRSRAPSA-N 367.493 3.559 30 40 FHEB O=[N+]([O-])c1cccc(/N=C\c2ccccc2I)c1 408550423 HDDMOSUQVBQVEH-DHDCSXOGSA-N 352.131 3.950 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cc(C)ccc2F)c1C#N 409184421 WTCNJAHYCQQGGO-UHFFFAOYSA-N 359.426 3.586 30 40 FHEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)c1 223749744 HWBQJRKUTFZIGM-QJOMJCCJSA-N 373.428 3.860 30 40 FHEB O=C(O)c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1O 5648197 MIMODCWGTPVIBH-UHFFFAOYSA-N 360.321 3.813 30 40 FHEB COc1ccc(NC(=S)N/N=C(\c2ccccc2)c2ccccn2)cc1 1642873 RLZRXWZKBWZLGC-FCDQGJHFSA-N 362.458 3.829 30 40 FHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2cccs2)cc1 2272962 VMIZEFCDDTUMCL-BYOFMXEESA-N 359.476 3.611 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccn1 16755537 MENKTOOHMURDBR-UHFFFAOYSA-N 366.446 3.510 30 40 FHEB N#Cc1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(F)c1 58421128 QKZAGFVCBQRALR-UHFFFAOYSA-N 354.381 3.586 30 40 FHEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@]2(Nc1ccc(F)cc1)C(F)(F)F 40268297 CZMJONBXQXEWLU-INIZCTEOSA-N 357.303 3.739 30 40 FHEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)N1CCCC1 35672497 UJXIBOOAJGJDQL-INIZCTEOSA-N 365.462 3.919 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl 3374604 CVWAKZUBVPEEHY-UHFFFAOYSA-N 365.216 3.569 30 40 FHEB CCCCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 7966378 PMMDWGVUZRPFGY-CAPFRKAQSA-N 360.479 3.876 30 40 FHEB C=CCOc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O 4611327 ASYTYDHZQDKIAP-WJDWOHSUSA-N 364.357 3.813 30 40 FHEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 5559403 PGBGBDYXNADIHM-LBPRGKRZSA-N 359.223 3.577 30 40 FHEB CC[C@H](C)n1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409366662 UEYBISKTYRSEKK-AWEZNQCLSA-N 360.417 3.910 30 40 FHEB CCOc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cn1 408885936 HASNURIRUNZXNX-CAOOACKPSA-N 365.187 3.597 30 40 FHEB Cc1cc(C(F)(F)F)ccc1C/N=C(/O)N1CC(/N=C(/O)C2CCC2)C1 329796121 DMTYRANMPJNNEH-UHFFFAOYSA-N 369.387 3.869 30 40 FHEB COc1ccc(OCCn2c(C#N)cc(N)c2Cc2cccc(C)c2)cc1 225862491 YOUNQNZLMXXYAK-UHFFFAOYSA-N 361.445 3.929 30 40 FHEB C=CCOc1c(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cccc1OC 5000800 LKWQXXYBXUDASX-GHRIWEEISA-N 365.385 3.613 30 40 FHEB COc1ccccc1NC(=S)N/N=C(/c1ccccc1)c1ccccn1 6424807 GCSKJVXUKXNQHK-NMWGTECJSA-N 362.458 3.829 30 40 FHEB CC(C)[C@H]1/C=C/C[C@@](C)(O)C[C@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 8236144 JJEBKVFRHNKOBW-VLKSWTDTSA-N 374.477 3.838 30 40 FHEB C(=N\N1CCN(c2ccccn2)CC1)\c1ccc(OCc2ccccc2)cc1 4480040 CSMUIIHZLFOIRP-BWAHOGKJSA-N 372.472 3.817 30 40 FHEB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(C#N)c1 5512606 YZMGVJOQFOMCQF-UHFFFAOYSA-N 362.216 3.576 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)OC1(C)C 1776000385 ZDKBCRFXSGTVBS-UHFFFAOYSA-N 365.641 3.883 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C(C)=Nc3ccccc32)cc1 103441410 AHIXJPBAGZOULF-QOCHGBHMSA-N 370.478 3.639 30 40 FHEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926582 JMYVEDXVIHUVFC-HMBYOLGQSA-N 357.538 3.898 30 40 FHEB Cc1cc(N[C@@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1 12507654 FCELBWOLGLWVNN-AWEZNQCLSA-N 354.479 3.968 30 40 FHEB C[C@H](Oc1ccc(Cl)cc1)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5450821 UJCGBDPJLSMZIE-NJPLLEPOSA-N 371.820 3.592 30 40 FHEB CC(C)Cn1c(S[C@H](C)C#N)nc2ccc(Br)cc2c1=O 7441346 KDMSUMHFNAXQPU-SNVBAGLBSA-N 366.284 3.819 30 40 FHEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)Nc3ccccc3)nc2c1 35292346 FERICLDQMLONKC-UHFFFAOYSA-N 359.433 3.957 30 40 FHEB Cn1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)c(-c2cccs2)n1 89299180 DXYYZQQAAVMXPM-GFCCVEGCSA-N 357.460 3.749 30 40 FHEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c1 18117286 RITCTBWKDRFLLT-LJQANCHMSA-N 365.429 3.930 30 40 FHEB COc1ccc(/C=N/N=c2/[nH]c(-c3ccc(OC)c(OC)c3)cs2)cc1 16945078 WVIFQBGMGQNWPM-RGVLZGJSSA-N 369.446 3.704 30 40 FHEB C=CCSc1ccccc1NC(=O)CCn1cnc2sccc2c1=O 10037060 AQMJOYXBCAJPNZ-UHFFFAOYSA-N 371.487 3.765 30 40 FHEB CCN/C(S)=N/N=C\c1ccc(OCCc2ccccc2)c(OC)c1 12374204 RXBPHALZESHOLB-STZFKDTASA-N 357.479 3.546 30 40 FHEB Cc1ccc(C)c(-n2ccnc2SCC(=O)NC2(C#N)CCCC2)c1 12532425 OSEFZFCIIZGORV-UHFFFAOYSA-N 354.479 3.534 30 40 FHEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccc(Cl)cc1 13770018 GZTLOOPOZMYKRO-UHFFFAOYSA-O 370.835 3.820 30 40 FHEB C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 14188124 XVHBTBVOYCQZPU-HNNXBMFYSA-N 354.475 3.618 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)cc1 27917925 RWMDRTSOQDHBCC-UHFFFAOYSA-N 367.206 3.759 30 40 FHEB O=C1C=C(NCCC[C@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21 42921092 OTIKYMAERVLSHD-OXJNMPFZSA-N 352.478 3.584 30 40 FHEB CC(C)(C#N)CCCO/N=C(/N)c1ccc(Oc2ccc(F)cc2)nc1 84325886 BRKIWJVIIVHYKM-UHFFFAOYSA-N 356.401 3.980 30 40 FHEB COCc1cc(C)nc(N/N=C\c2ccc(Br)cc2)c1C#N 98087090 CVCLOAQHJCVGAT-OCKHKDLRSA-N 359.227 3.617 30 40 FHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)cn1 103704792 AWAHEPABJXJFGJ-ASIOXUDQSA-N 371.510 3.665 30 40 FHEB Cc1ccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)c(C)c1 225842199 UAZXEPZXNJAWIE-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 409174710 OBSVCAORKYTWAV-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N/c1nnc(C)s1 100151070 SGWZFBDYOQNTFE-PKOZXGCMSA-N 360.439 3.776 30 40 FHEB CCCC/N=C(/S)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 13597786 XOIZNVJZGAYWSD-UHFFFAOYSA-N 369.556 3.667 30 40 FHEB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)c1 8748882 UCPZNBWNOIJCEK-IBGZPJMESA-N 369.852 3.996 30 40 FHEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCC1 4723232 PEHVMAXHRBDLMF-JVMRMLDLSA-N 359.495 3.586 30 40 FHEB CC/N=C1/S/C(=C/c2ccc(N(CC)CC)cc2OC)C(=O)N1CC 408928837 FDCYCHFKLYGEJX-KFBYJWCXSA-N 361.511 3.854 30 40 FHEB C=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929778 YQIHCRNYUOUZBU-UHFFFAOYSA-N 364.401 3.942 30 40 FHEB N#C[C@@H]1CCCN(Cc2ccc(Br)c(Br)c2)C1 1144211798 JQXOHXUXXDUBPU-NSHDSACASA-N 358.077 3.947 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2c(C)cc(C)cc21 100910036 LYOCUWWXZGHOOD-DQRAZIAOSA-N 362.454 3.897 30 40 FHEB CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 4517749 HZDNOFXWLIJFRU-UHFFFAOYSA-N 374.487 3.544 30 40 FHEB COC(=O)[C@]1(C)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@@H]2CC[C@@]52O[C@]25[C@]4(C)[C@H]2[C@@H]3[C@H]1[C@@H]1CC[C@]5(C)[C@@H]21 104294824 QOZOZVKTNHNZNM-GEZNKCPQSA-N 366.501 3.517 30 40 FHEB Cc1nc(-c2ccccc2)nc(SCC(=O)NC2CCCCC2)c1C#N 27789313 DUNSWQIITFFVGZ-UHFFFAOYSA-N 366.490 3.865 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 3374803 GKPNGTXQOGKGTL-UHFFFAOYSA-N 372.424 3.851 30 40 FHEB C/C(=N\N=C1\NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccc(F)cc1 4159979 ONIVPHNPHLIJKT-NEIHUHTASA-N 355.438 3.688 30 40 FHEB N#Cc1c(C2CCNCC2)cc(-c2ccc(N3CCCCC3)cc2)nc1N 71404041 CZAICEVHBNCOOH-UHFFFAOYSA-N 361.493 3.660 30 40 FHEB C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1OC(F)(F)F 75572259 OHTGBBXPYDSWSF-CQSZACIVSA-N 358.404 3.830 30 40 FHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409286230 ZJAXVUIYDNMXAX-UHFFFAOYSA-N 374.238 3.932 30 40 FHEB ON=Cc1ccc(OCc2ccc(I)cc2)cc1 408997576 RWBQSOQMQGIKRQ-UHFFFAOYSA-N 353.159 3.678 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 73742552 ZCHLQJRDFXXLQK-UHFFFAOYSA-N 350.374 3.610 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072577 NVORPWJGZUVKEE-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959992 UTHOHMZTNPNWBA-GTNSWQLSSA-N 352.419 3.657 30 40 FHEB O=C1c2ccccc2C(=O)N1CNc1ccccc1/C(=N/O)c1ccccc1 5581813 OJICHDFGRVKWMT-HIXSDJFHSA-N 371.396 3.579 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(OCC)c21 100910343 LNNFJVGSMOFSCT-VZCXRCSSSA-N 354.406 3.615 30 40 FHEB CC(=O)Nc1ccc([C@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@@H]23)cc1 4867345 FSGGLVGJQVCFIE-MISYRCLQSA-N 353.418 3.504 30 40 FHEB Cc1cc(C)c(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3OC2=O)c(C)c1 101570058 JXQMFWVGTJXWNH-DHDCSXOGSA-N 352.346 3.618 30 40 FHEB C[C@H](Sc1cccc[n+]1[O-])C(=O)/C=C1/N(C)c2ccccc2C1(C)C 11205585 NPQSBBNLLMYRAH-RAOBZKRQSA-N 354.475 3.681 30 40 FHEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 102401969 UOGIPNRVRXMOEG-ZSFFSCSXSA-N 350.418 3.690 30 40 FHEB O=C(C1=CC=CCC1)/C(=C/NC(=S)c1ccncc1)C(=O)c1ccccc1 104304203 IKGXYMVZLJVAOU-XDJHFCHBSA-N 374.465 3.959 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2\C[C@]34CCCC[C@]35C[C@@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 104281961 HNFGDJSRIPJISB-XQCMXZAQSA-N 372.381 3.783 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C#N)C1 947400 QELZVIGNUYBRBN-NSHDSACASA-N 371.418 3.670 30 40 FHEB O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl 1453115 LJBNPTDSLKODJY-GFCCVEGCSA-N 352.246 3.850 30 40 FHEB C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2sccc2c1=O 12972083 VKSRJYZYJZYFFY-UHFFFAOYSA-N 362.480 3.617 30 40 FHEB COc1ccc([C@@H]2C[C@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 4114495 QRSLYQPONMQITO-WWEWDKITSA-N 370.445 3.510 30 40 FHEB CN(C)c1ccc(/C=N/Nc2cncc([C@H](C#N)c3ccccc3)n2)cc1 4117003 DUQKHLJZEIEDSL-NZYROCMPSA-N 356.433 3.644 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 5280474 AUAWAVFEELBHIS-UHFFFAOYSA-N 365.433 3.575 30 40 FHEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2cccnc2)C1=O 8654049 HSURQNIXGHCVFQ-LFIBNONCSA-N 366.442 3.934 30 40 FHEB Cc1nnc(S[C@H](C)C(=O)Nc2sccc2C#N)n1-c1ccccc1 7171479 DJBHVGZNKPCHIA-LLVKDONJSA-N 369.475 3.628 30 40 FHEB Cc1[nH]c2ccccc2c1/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 83791324 VWMBAWCQGQXGTQ-UHFFFAOYSA-N 362.838 3.964 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1ccco1 32579513 GEYYACCHXIFYRK-UHFFFAOYSA-N 372.425 3.902 30 40 FHEB CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C[C@H](OC)[C@@H]1C 2332243398 QTXLWZOBBNIAHP-NCZGVNSSSA-N 366.498 3.746 30 40 FHEB Clc1ccc(CN/N=C/c2ccc(I)o2)cc1 10118782 FXSZKOJEZWZTLF-LZYBPNLTSA-N 360.582 3.661 30 40 FHEB CCC/N=C/[C@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 102909908 HEOBVZWXBWVPFV-HURAESQDSA-N 354.357 3.658 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 22277356 ZFJNSWWVYCZQGE-OAQYLSRUSA-N 362.454 3.821 30 40 FHEB CSc1nc(C2CC2)cc(C(=O)N2CCC(n3cccc3)CC2)c1C#N 60449922 RMXLDCXMKCPIMZ-UHFFFAOYSA-N 366.490 3.831 30 40 FHEB Cc1c(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc(C#N)n1C 6084813 AUOSIIHUQCECOG-LSFURLLWSA-N 350.451 3.535 30 40 FHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 5445514 VMELWDLOETZWLF-MRXNPFEDSA-N 357.793 3.557 30 40 FHEB O=C(C#Cc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1 84522713 XQPGQUSCRKPCQD-UHFFFAOYSA-N 355.393 3.673 30 40 FHEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Br)c(N(C)C)o1 408849828 ZLTYPJXLXROMAA-PXNMLYILSA-N 368.187 3.776 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2OC)s1 224541467 VMNNTGZRJAGSRA-LLVKDONJSA-N 365.480 3.621 30 40 FHEB N#Cc1cccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 47368518 LNFCIPHEBUQCTL-UHFFFAOYSA-N 360.200 3.654 30 40 FHEB C[C@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 4344352 LFGUOKSONBHVJF-DPXUGILNSA-N 370.365 3.745 30 40 FHEB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C#N)c1 4548480 RPEIARUVXWARCQ-NSHDSACASA-N 368.393 3.867 30 40 FHEB N#Cc1ccnc(OC[C@H]2CCCN(Cc3csc(C4CC4)n3)C2)c1 1776001549 ZMWUOVCKELISJE-HNNXBMFYSA-N 354.479 3.578 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 4436327 GXBRLQCUNHTWGH-MRXNPFEDSA-N 370.478 3.754 30 40 FHEB O=C(C[n+]1cccc2ccccc21)c1cccc(I)c1 4740712 FPCBVGUUUBYKNI-UHFFFAOYSA-N 374.201 3.615 30 40 FHEB Cc1nc(S[C@H](C)C(=O)N2CCc3ccccc32)c(C#N)c(C)c1C 5172517 LTEYOGAKMTZFOL-OAHLLOKOSA-N 351.475 3.948 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 6326978 YDFCPCJTXKCBLZ-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB CCOC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 6327366 ZIVGLIFIDIAUKZ-UHFFFAOYSA-N 361.467 3.653 30 40 FHEB CCOC(=O)C/C(C)=N/Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6783745 AFADUCITZMCHBU-RGVLZGJSSA-N 360.439 3.510 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)c1ccc(Br)cc1 12851268 DGMNGGNFDUBCEH-UHFFFAOYSA-N 352.257 3.510 30 40 FHEB COc1cc(C(=O)/C=C\c2ccc(OCC#N)cc2)cc(OC)c1OC 17222057 QJDQGDGYXMOBSA-TWGQIWQCSA-N 353.374 3.511 30 40 FHEB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 45034488 INRWUECPWDQWBI-AUUYWEPGSA-N 350.418 3.845 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccs2)no1 102712353 IUOOHRJWGMVCEK-UYTDBDHRSA-N 366.398 3.671 30 40 FHEB CCCCCCCCCCNC(=O)C(=O)NCc1ccc(OCC)cc1 408707944 TVIKBPNRRGBLSA-UHFFFAOYSA-N 362.514 3.958 30 40 FHEB N#C[C@@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@@H]12 1272729 NJIMBDNRCFGZTG-LPHOPBHVSA-N 350.381 3.762 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)CCc2ccccc2)n1 5643259 MCCMXPUEXHTHHR-OAHLLOKOSA-N 353.491 3.800 30 40 FHEB N#Cc1cccc(CN2[C@H]3CC[C@H]2[C@@]2(CCN(c4ccccc4)C2=O)C3)c1 306133709 MTFJBHPQVAUKQU-QNWVGRARSA-N 357.457 3.718 30 40 FHEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(C)=O)c3)S2)cc1 408754136 PNXIRMXRIKBEGD-BOPFTXTBSA-N 368.414 3.512 30 40 FHEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1C1CCCC1 409364875 WJOXNDKPQCJXHO-UHFFFAOYSA-N 350.422 3.518 30 40 FHEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 44085677 VQSHMNGYZQMTGM-UHFFFAOYSA-N 354.435 3.763 30 40 FHEB Cc1ccc(Cn2nc(OCc3ccccc3Cl)c(C#N)c2N)cc1 225846156 DDCJQNUCPXKEKV-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB C[C@H]1COc2ccccc2CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 611799163 CQDGXKQPWNQSHT-HNNXBMFYSA-N 350.418 3.525 30 40 FHEB COc1cc(/C=C/C2=CC(=O)C[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 13415009 IZLBLUIBVMGMIY-MTGFJVSHSA-N 368.385 3.743 30 40 FHEB endogenous,in-man CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccco1 4919893 MIAKANQSXNUVFG-MGPUTAFESA-N 370.401 3.616 30 40 FHEB C=CCO[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2cc(C)ccc21 2055812439 XXSVZHNMRIDQNF-LJQANCHMSA-N 351.450 3.540 30 40 FHEB COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc(OC)c1O 31854365 PUBYCPGKHFMHLL-GRSHGNNSSA-N 355.419 3.979 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 101662196 DCHYEZSKRGMUSB-NRFANRHFSA-N 373.497 3.913 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)nc1 32883793 NROMEWVCXMOKIN-FQEVSTJZSA-N 360.461 3.533 30 40 FHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C(=O)O1 102500416 ZTGQOGKDJBKUKY-JHTBKMLMSA-N 356.374 3.782 30 40 FHEB N#Cc1cccnc1Sc1nnc(-c2cccnc2)n1-c1ccccc1 12522653 PUVMHKKVYWOOKF-UHFFFAOYSA-N 356.414 3.747 30 40 FHEB Cc1ccc(NC(=O)C/C(N)=N/OC(=O)Nc2ccc(C)c(Cl)c2)cc1 6550705 RZMUYFMMFYVPOO-UHFFFAOYSA-N 374.828 3.806 30 40 FHEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1O 408813856 FRZLVEGREZDIAJ-XFFZJAGNSA-N 354.225 3.549 30 40 FHEB C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 9117720 VMVSTDSOEITFFC-INIZCTEOSA-N 351.450 3.658 30 40 FHEB C/N=C1/S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C(=O)N1C 408928451 BLCOMJPQORWJNP-VVKTXGKCSA-N 370.430 3.574 30 40 FHEB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 36638386 NQWDYAAVQOVJQI-KRWDZBQOSA-N 371.403 3.961 30 40 FHEB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(C#N)cc2)c2ccccc2S1 5507038 ZADQWXBQUHLKDQ-CQSZACIVSA-N 366.442 3.633 30 40 FHEB CCN(CC)/C(=C\C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 16968622 JIOFZUZPYZAURB-HKWRFOASSA-N 367.445 3.995 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 888437 JKJPWVKYTQLTAV-UHFFFAOYSA-N 367.390 3.821 30 40 FHEB COc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N 1085840 ZBACUAIFYHLCCR-UHFFFAOYSA-N 365.433 3.727 30 40 FHEB C=CCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1668028 PWNFPUFWCBEELM-UHFFFAOYSA-N 373.474 3.943 30 40 FHEB Cc1ccc(S(=O)(=O)N(OC(=O)c2ccccc2)c2ccccc2)cc1 3014205 ONZUHIJFDSCSPL-UHFFFAOYSA-N 367.426 3.962 30 40 FHEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=N/C[C@@H]1CCCO1 6550386 FWINXTFNGZSBNB-DZUMZMOTSA-N 370.478 3.738 30 40 FHEB CSc1ncc(C(=O)Nc2cccc(C#N)c2)n1-c1ccc(F)cc1 12535408 LEIXTRWOCGYVAC-UHFFFAOYSA-N 352.394 3.857 30 40 FHEB N#CC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCCCCC1 12535537 SDFVNSVEBUJWQC-UHFFFAOYSA-N 364.371 3.788 30 40 FHEB C#CCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 22367817 FVHBOGDGSNHLNU-NSHDSACASA-N 371.462 3.727 30 40 FHEB C=CCn1c(Cc2csc(NC(=O)c3ccccc3C)n2)n[nH]c1=S 30688533 XYIBREAKUCFBOM-UHFFFAOYSA-N 371.491 3.735 30 40 FHEB COC(=O)c1ccc(/C=N/OCC(=O)Nc2ccccc2C(C)C)cc1 40159320 URZKNKRQZHWFJM-CIAFOILYSA-N 354.406 3.586 30 40 FHEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(COc2ccccc2)CC1 55081635 RPNFREMIVPCMKQ-SFHVURJKSA-N 369.509 3.509 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C=Cc2ccccc2[C@H]1C#N 254557381 UWFUQBJWSJTGPZ-GUDVDZBRSA-N 350.418 3.598 30 40 FHEB COc1cccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)c1 408797112 BFXBLSQYHLNCRJ-XKZIYDEJSA-N 364.401 3.734 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]21)c1ccccc1 409370156 MCFPMGBBVDJZAI-UBBRYJJRSA-N 366.420 3.953 30 40 FHEB C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](OC)C1 1690480657 MLSQKLYYJFLLQA-INIZCTEOSA-N 365.481 3.628 30 40 FHEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccccc2F)cc1 100409894 IBIIFFVCGOJXLU-CIAFOILYSA-N 355.394 3.772 30 40 FHEB C=C(Br)CNC(=O)C1(c2cccc(Br)c2)CC1 58368437 SDGTVTOVAQEEPY-UHFFFAOYSA-N 359.061 3.506 30 40 FHEB C=CCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1nc2c(s1)CCCC2 12789653 SMYHVCDDWFEVNG-UHFFFAOYSA-N 369.490 3.742 30 40 FHEB O=C(NCC#Cc1ccccc1)C1(c2ccc(Br)cc2)CC1 12769169 FQKAZFATPGNGNJ-UHFFFAOYSA-N 354.247 3.649 30 40 FHEB N#Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl 12870050 GJLBJZQKVFNNCA-UHFFFAOYSA-N 358.810 3.894 30 40 FHEB CCc1cc2c(SCC(=O)Nc3ccccc3C#N)ncnc2s1 6054048 GUUFSMHHXSENQQ-UHFFFAOYSA-N 354.460 3.856 30 40 FHEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)ccc1O 18196780 TZMZDKGPZWCDOD-HXUWFJFHSA-N 365.385 3.694 30 40 FHEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 9422185 ZXSDODVVRVGYNY-VXLYETTFSA-N 362.385 3.855 30 40 FHEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224764978 RWJAKBFHPDMZIV-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C[C@H](CC[C@@]1(C)[C@@H]2CC(=O)C=C(C(=O)O)[C@]2(C)CC[C@H]1C)CC(=O)O 253389959 XKXZAYIPFRBKHT-NFLGQJIJSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2nc3ccccc3s2)n1 16850994 KRRPOLBDEIUNMF-UHFFFAOYSA-N 359.414 3.914 30 40 FHEB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)c1 5270024 SBFQTOJXOMYWCM-UHFFFAOYSA-N 357.413 3.637 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5224715 DLURJPMDGSFIIF-PZAOOUTNSA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1O 7587015 PXGYNUIDGORSHZ-YCRREMRBSA-N 353.418 3.524 30 40 FHEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7837313 QTQUUQOEJYLHBZ-QWRGUYRKSA-N 363.508 3.706 30 40 FHEB C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1C1CCCCC1 8707405 VCNJRDKWGJJDNF-MRXNPFEDSA-N 374.485 3.970 30 40 FHEB Cc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1 12507653 FCELBWOLGLWVNN-CQSZACIVSA-N 354.479 3.968 30 40 FHEB O=C1O[C@H](c2cccnc2)OC(c2ccccc2)=C1C(=O)c1ccccc1 13223104 KRRQNKCDPUFIFG-JOCHJYFZSA-N 357.365 3.948 30 40 FHEB C=CCNc1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)s1 14014551 BVXXNXKKHBMFTB-GFCCVEGCSA-N 360.508 3.596 30 40 FHEB CC(C)CN1C(=O)/C(=N\Nc2ccc(C(F)(F)F)cn2)c2ccccc21 14361266 ITYKVPWRHZOLAK-JLPGSUDCSA-N 362.355 3.919 30 40 FHEB CC(=O)Nc1cccc(/N=C2\NN=C(c3ccc4c(c3)CCC4)CS2)c1 26144474 OGCBPUXREXUVCM-UHFFFAOYSA-N 364.474 3.862 30 40 FHEB Cc1ccc(OCCN(C)C/C(O)=N/c2nnc(-c3ccccc3)o2)cc1 31559831 JRWNXFPGGHWYBI-UHFFFAOYSA-N 366.421 3.644 30 40 FHEB COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2)cc1OC 408619110 GAYQRUGXWCFVTE-CMDGGOBGSA-N 360.793 3.797 30 40 FHEB CCCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 22608065 YKIJJGOJJCNEOW-CWTRNNRKSA-N 352.438 3.643 30 40 FHEB C[S@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N 3104742 ACLKUAXMPVMBMM-JOCHJYFZSA-N 353.230 3.855 30 40 FHEB COc1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1 13590112 LPHNDZLEDLCRMT-VBNMEBLOSA-N 373.865 3.513 30 40 FHEB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C#N)cc1 8291231 XFUNNJHVJKAYHH-ZDUSSCGKSA-N 351.431 3.766 30 40 FHEB C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc12 14201216 YBOYPLVWQQPJQU-OAHLLOKOSA-N 350.443 3.892 30 40 FHEB O=C(O)COc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 97029947 YSRCEGWJZIOZJU-LCYFTJDESA-N 365.360 3.983 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nn1 24501090 CSOPPBJMCSQXLE-UHFFFAOYSA-N 372.881 3.870 30 40 FHEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224750868 OTXITMITSZRZLT-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB Cc1cc(F)c(COC(=O)CCOCC(F)(F)C(F)(F)F)cc1F 1587368674 NZBXKSRQRNENED-UHFFFAOYSA-N 362.241 3.921 30 40 FHEB C=CCn1c(C)nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1=S 40155470 UVQQNMDDOMHZDE-UHFFFAOYSA-N 359.543 3.843 30 40 FHEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@H]2c1ccc(Cl)cc1 1235247 YPTKGMHDMJNLDM-ZDUSSCGKSA-N 362.882 3.553 30 40 FHEB COc1ccccc1-n1c(S[C@@H](C)C#N)nc2cc([N+](=O)[O-])ccc21 4485742 CWMLGYCQNXSSFS-NSHDSACASA-N 354.391 3.946 30 40 FHEB Cc1cc(OCC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc(C)c1Cl 4723501 QYWRLUBZVUWLFT-UHFFFAOYSA-N 367.232 3.853 30 40 FHEB N#Cc1c(NC(=O)CSC(=S)N2CCCC2)sc2c1CCCC2 5287149 YBODGKWBDCSVAJ-UHFFFAOYSA-N 365.549 3.551 30 40 FHEB CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 6264733 MTTKKYWVJUYXSP-UOBPLZBXSA-N 355.463 3.786 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc(OCC)c(OCC)c2)s1 7594489 NCTVPKZVGRUKSW-UHFFFAOYSA-N 365.480 3.866 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(N2CCCC2=O)c1 14136829 HMMJQKDUOPTOAG-UHFFFAOYSA-N 374.400 3.630 30 40 FHEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1 19807913 HWPVZTDNLUJHLN-UQQQWYQISA-N 354.457 3.803 30 40 FHEB Cc1ccc(C2CC(=O)C(=C3OCCN3Cc3ccccc3)C(=O)C2)cc1 20800792 SWZYFAUSRRWRFI-UHFFFAOYSA-N 361.441 3.755 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608782 ICNFPDFLHHOPLF-MGPUTAFESA-N 360.417 3.904 30 40 FHEB N#CCCn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 24990260 SMQMPSHZGHAYQU-UHFFFAOYSA-N 354.207 3.740 30 40 FHEB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2o1 32097509 AAVIWDVEFSHDPG-UHFFFAOYSA-N 355.419 3.798 30 40 FHEB C=C(Br)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 58418770 RGZYRFGNHOWORM-UHFFFAOYSA-N 368.234 3.935 30 40 FHEB C=CCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F 225953603 KEOQWLISVVKOBB-UHFFFAOYSA-N 373.371 3.998 30 40 FHEB Cc1cccc2cc(C#N)c(NCCCNC(=O)c3cccs3)nc12 4964413 GAMHIFDBXBKXTL-UHFFFAOYSA-N 350.447 3.708 30 40 FHEB COc1ccc2[nH]cc(/C=C3\S/C(=N/c4nccs4)N(C)C3=O)c2c1 102741465 NXVSCZLSZUVHEA-KZVOARGDSA-N 370.459 3.867 30 40 FHEB O=C(Cc1cn2ccccc2n1)Nc1cccc(C#Cc2cccs2)c1 29824216 OHRPWCIYDCYMLC-UHFFFAOYSA-N 357.438 3.977 30 40 FHEB O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccccc1F 24035899 YNHZIGUWDHRZNP-UHFFFAOYSA-N 360.388 3.892 30 40 FHEB CCOc1cccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1O 408962994 WYVOJVQOVZIASL-XNTDXEJSSA-N 358.394 3.822 30 40 FHEB O=S(=O)(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 3254689 KDYPFWBVMATKRG-HMMYKYKNSA-N 352.415 3.791 30 40 FHEB C=CCOc1cccc(NC(=O)CSc2ccc(OC)c(OC)c2)c1 20455969 OQXYTPKUZQSNRK-UHFFFAOYSA-N 359.447 3.999 30 40 FHEB Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 7975373 XHTKBEUATFVGJI-UHFFFAOYSA-N 357.479 3.861 30 40 FHEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCOCC2)cc1 4867240 SUSUTIBOHWWCQE-FYJGNVAPSA-N 373.840 3.711 30 40 FHEB O=C1/C(=C/c2cccc(Br)c2)CS(=O)(=O)c2ccccc21 8923387 SHWFMZGGLDEGQT-XYOKQWHBSA-N 363.232 3.503 30 40 FHEB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1O 409164887 PEYMFONQMKAJLQ-RQZCQDPDSA-N 366.398 3.509 30 40 FHEB Cc1sc2ncn(/N=C/c3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1C 24037999 XOEFZVUIVQRRRI-HEQWTUPCSA-N 373.306 3.653 30 40 FHEB N#Cc1ccc(CN2[C@H]3CC[C@H]2[C@]2(CCN(c4ccccc4)C2=O)C3)cc1 306132025 KVWJLMPCTLXTRT-FUDKSRODSA-N 357.457 3.718 30 40 FHEB N#Cc1cccnc1-n1cc(Nc2cc(-c3cccc(Cl)c3)ncn2)cn1 1186053498 DGVUYXYMWRWWOC-UHFFFAOYSA-N 373.807 3.993 30 40 FHEB C=CCNC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043403 DOVMSBHYNVTDIZ-UHFFFAOYSA-N 371.384 3.930 30 40 FHEB C(=N/Nc1nnnn1-c1ccccc1)\c1ccc(OCc2ccccc2)cc1 4405598 VHOUQIWKPNQNKX-PXLXIMEGSA-N 370.416 3.687 30 40 FHEB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)cc1 1330161 NHVJTZAOAJAHSZ-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB N#Cc1ccc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 6829755 KXRFVTMWIUBCBY-UHFFFAOYSA-N 367.360 3.691 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 409108810 WEYKTJOFDZEEOX-DEDYPNTBSA-N 370.409 3.658 30 40 FHEB O/N=C\c1ccc(OCc2ccccc2F)c(I)c1 216810910 BMGYGRFKCFVSHZ-IUXPMGMMSA-N 371.149 3.817 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OP(=O)(O)O 4025814 NWJXKHVJFGAOMY-DYKIIFRCSA-N 368.410 3.996 30 40 FHEB biogenic C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224775649 UTWHJNSMNYQRFB-UHFFFAOYSA-N 360.435 3.847 30 40 FHEB COC(=O)[C@H]1C=CC(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)=CC1 256055554 KZJVATAHOFBPNE-ZCQLHAAUSA-N 368.458 3.713 30 40 FHEB C=CCn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nc2ccccc21 12219401 JSIOCQWQNUIQRS-UHFFFAOYSA-N 366.509 3.888 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@H](C)C=C(C)C[C@H]4C)cnc3c2c1 4028805 QTBQTTBAAXXJAQ-PVDNUXFWSA-N 364.449 3.959 30 40 FHEB biogenic O=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccc(Cl)cc2)=C1O 6909139 ISLPXIXVPYLXIU-INIZCTEOSA-N 359.721 3.541 30 40 FHEB COC(=O)c1ccc(C(=O)OC)c(N/C=C/C(=O)c2cc(C)ccc2C)c1 44844468 YMIDPSOTKCYHNR-MDZDMXLPSA-N 367.401 3.685 30 40 FHEB COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C(C)C)cc1 11097014 WTOJGZLBZIDWMW-YWZLYKJASA-N 351.450 3.881 30 40 FHEB Cc1cccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 27299538 IRBKLYHXUXRYNG-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(Cl)c1Cl 5012143 XCPSTYGLLGADCL-UHFFFAOYSA-N 359.216 3.586 30 40 FHEB Cc1ccc(OCCSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238205 JJBPWJLLMLOMLD-UHFFFAOYSA-N 363.442 3.788 30 40 FHEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 7781067 BFJHINUGKMBVOW-UHFFFAOYSA-N 363.417 3.882 30 40 FHEB CCOC(=O)COc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N 68680664 XZLLRFYQTGFWLW-UHFFFAOYSA-N 364.323 3.889 30 40 FHEB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 8342941 CFDWKYUXHVNEAO-FQEVSTJZSA-N 370.474 3.873 30 40 FHEB C=CCn1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 18142691 CSFRAHUUQRWAJK-UHFFFAOYSA-N 369.515 3.865 30 40 FHEB Cc1ccccc1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409408078 OZFRASKRVHRGSG-IDPBPBMLSA-N 373.456 3.544 30 40 FHEB CCCOc1ccc(NC(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1 199422793 JDVAHQFJOQJTDN-UHFFFAOYSA-N 351.406 3.704 30 40 FHEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccc(C)o1)C2 585106969 MMTSMAZHGQTHBS-JOCHJYFZSA-N 374.444 3.521 30 40 FHEB CN(C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)C1(C#N)CCCCC1 37115810 MOVUHGAHISGVND-UHFFFAOYSA-N 372.469 3.993 30 40 FHEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3F)NC2=O)c1 5006587 LCUWLVLSRVUUGN-YBEGLDIGSA-N 358.394 3.735 30 40 FHEB CC#CCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889136103 ROALJBDAVFZDJL-UHFFFAOYSA-N 374.849 3.807 30 40 FHEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1OC 78579448 OKCAMNFOHGPHOY-UHFFFAOYSA-N 363.417 3.746 30 40 FHEB CC(C)c1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1 27794170 GJVGSUPDVHTYJU-QGZVFWFLSA-N 374.872 3.808 30 40 FHEB C[C@H](C#N)CN(C)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 58356289 NPAJQTPPVTUXNI-CQSZACIVSA-N 367.405 3.618 30 40 FHEB CC(C)Oc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)c1 2394927 YCHZOVANGLVNOZ-UHFFFAOYSA-N 365.462 3.610 30 40 FHEB COc1ccc2c(c1)CC/C(=C\c1c(C)n(C)n(-c3ccccc3)c1=O)C2=O 12886858 FJJPWSCBVIUGEX-SAPNQHFASA-N 374.440 3.706 30 40 FHEB COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(OC)c1OC 48521028 DYZZCADFYZAISM-JYRVWZFOSA-N 358.365 3.900 30 40 FHEB O=C(O)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 4078414 ADETWGWEVBDYEB-UDWIEESQSA-N 365.414 3.965 30 40 FHEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)c1 17084648 GYZBBPFVEGIGHJ-OAHLLOKOSA-N 373.865 3.896 30 40 FHEB CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 17245888 PDIFLFWPSKBRAO-UHFFFAOYSA-O 374.464 3.539 30 40 FHEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)CCCc2ccc(C)cc2)cc1 48472913 AGLFQKMNAFKFQW-UHFFFAOYSA-N 359.447 3.866 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403764 PPZMHNJLVIKSPR-IBGZPJMESA-N 356.853 3.732 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1 252514094 BDZVSWXPAQYQSM-QRVBRYPASA-N 373.861 3.551 30 40 FHEB COc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(N)c2C#N)cc1 19095788 PSVCMSHQEOMDMJ-UHFFFAOYSA-N 358.401 3.836 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1 5079607 VKAUMUPYPFJKLR-OKACTXMXSA-N 365.429 3.859 30 40 FHEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2ccccc2O)cc1 1573815 AHOIFVMTLJCNSD-OEAKJJBVSA-N 355.397 3.960 30 40 FHEB Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc(C)n1 24568963 ITFLJYXQDRDZLE-SNVBAGLBSA-N 372.519 3.882 30 40 FHEB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)ON=C3c3ccccc3)c2O)cc1 1439909 WIIHFVNXKYWSLT-PDGQHHTCSA-N 359.385 3.539 30 40 FHEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 2102150 KESJHWHNUVEUSZ-GRSHGNNSSA-N 352.386 3.978 30 40 FHEB biogenic COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1O 2749700 HXSMAQWZSDJORW-UHFFFAOYSA-N 359.175 3.626 30 40 FHEB Cc1cc(N2CCN(C3CCCC3)CC2)n2c(nc3ccccc32)c1C#N 4042909 GSOYKOOBWAVEGP-UHFFFAOYSA-N 359.477 3.732 30 40 FHEB Cc1nc(C)c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1 4503677 XLDHJYGPCGNTHZ-YVLHZVERSA-N 370.474 3.797 30 40 FHEB CCOc1ccc2nc3c(cc2c1)CN(C[C@@H]1CCCO1)/C(=N\C)S3 4858466 BVZGSEVLQHXUDI-QBNCKDSPSA-N 357.479 3.706 30 40 FHEB CCCC1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 4979824 JRPBZWZJYRPLCT-UHFFFAOYSA-N 353.444 3.528 30 40 FHEB C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 7395672 ROBGQNXXDDSKRY-NSHDSACASA-N 362.307 3.761 30 40 FHEB C=CCn1c(C)cc(-c2csc(NC(=O)COc3cc(C)on3)n2)c1C 8761908 UNLJIQUHMVYCQF-UHFFFAOYSA-N 372.450 3.728 30 40 FHEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c1 9530637 MEDDYUWKQFVNNZ-UNOMPAQXSA-N 351.402 3.613 30 40 FHEB COc1cc(/C(C)=N/Nc2cccc(C(=O)O)c2)ccc1OC(F)F 13351684 RTAWFTGJYAZNCR-KEBDBYFISA-N 350.321 3.831 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccs2)no1 16742376 NWRFJHZAFTUDKO-AWEZNQCLSA-N 372.427 3.889 30 40 FHEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 19859116 PVCPJPLEICXXSD-WQRHYEAKSA-N 364.445 3.671 30 40 FHEB N#CCSc1ccccc1NC(=O)COC(=O)c1cc2ccccc2[nH]1 21281912 VLBZPYKIIGBTNZ-UHFFFAOYSA-N 365.414 3.579 30 40 FHEB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCC(=O)Nc1sccc1C#N 24862636 YYUYDEHMPJIVPK-GFCCVEGCSA-N 358.423 3.550 30 40 FHEB Cn1cc(C/C(O)=N/c2nc(Cc3ccc(F)cc3)n[nH]2)c2ccccc21 72406123 APIOLGGXPCZXDS-UHFFFAOYSA-N 363.396 3.857 30 40 FHEB COc1cccc(/C=C/C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 75092475 SWEIBEJFAOYVKQ-FMIVXFBMSA-N 359.347 3.895 30 40 FHEB CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCC#Cc1ccccc1 95451634 OQYNGXWQNYRALP-XMSQKQJNSA-N 370.493 3.628 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 100495263 DXQSTFWBDSBMTH-SFHVURJKSA-N 354.450 3.637 30 40 FHEB CCN(CC)c1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1 253617023 YZPDNWMCHOUBFR-UHFFFAOYSA-N 351.479 3.962 30 40 FHEB COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1O[C@@H](C)C(=O)O 409250101 PPGWTMLTZQQPJH-NJDFMEINSA-N 358.350 3.514 30 40 FHEB CCOC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 4311830 IYGBECVAFHNTGE-UHFFFAOYSA-N 355.777 3.805 30 40 FHEB in-vitro Cc1sc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c(C#N)c1C 21362047 FFYWTWAAGAMGTR-UHFFFAOYSA-N 361.854 3.649 30 40 FHEB CCCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 22608069 YKIJJGOJJCNEOW-HXPMCKFVSA-N 352.438 3.643 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(OC(=O)N(C)C)c3C)C2=O)cc1 13540834 ARKFAZQYAZHUTP-BOPFTXTBSA-N 353.374 3.680 30 40 FHEB N#Cc1ccccc1CS(=O)(=O)N(Cc1ccco1)Cc1cccs1 14067971 JHYODQAVBSBKMP-UHFFFAOYSA-N 372.471 3.745 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 14500592 XOVYXOPUPOBLLS-UHFFFAOYSA-N 351.431 3.778 30 40 FHEB CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 4826342 HOCOKDUCUBZFEE-UHFFFAOYSA-N 368.820 3.545 30 40 FHEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(C)C)sc3C)cc21 19820209 GDPBWHNHZPIQQX-UHFFFAOYSA-N 371.462 3.624 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 48547071 DLURJPMDGSFIIF-MBWFKEDYSA-N 374.521 3.663 30 40 FHEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772529 NNBHEMYDXKRVPA-UHFFFAOYSA-N 364.445 3.952 30 40 FHEB C(=N/N1CCN(/N=C/c2c[nH]c3ccccc23)CC1)\c1c[nH]c2ccccc12 1700780 VWTPHODQPDVOBG-RYQLWAFASA-N 370.460 3.635 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)o1 18200455 UWXSBQZRZHAZTC-QLJPJBMISA-N 351.362 3.568 30 40 FHEB CO/N=C(/CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1404660 CNNPNDDQLZCKFO-SDXDJHTJSA-N 358.246 3.818 30 40 FHEB CCCCCC(=O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 100598502 VXPBDCBTMSKCKZ-ORNYFODRSA-N 352.471 3.683 30 40 FHEB C=CCOC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1OC 4526237 OPRLDBUGFDVTHC-GHRIWEEISA-N 371.820 3.849 30 40 FHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5825965 HWTDEMYBMLQLRS-ZDLGFXPLSA-N 354.358 3.635 30 40 FHEB biogenic Cc1cc(C#N)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1 5930715 QELKPCHCXREHAE-UHFFFAOYSA-N 356.389 3.955 30 40 FHEB COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(Cl)cc2)c1 18322986 WPROYJVVXSOJPW-KRWDZBQOSA-N 357.793 3.838 30 40 FHEB N#Cc1ccsc1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 9219887 CDTMYEMHFOVNMH-UHFFFAOYSA-N 358.423 3.880 30 40 FHEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc4ccccc34)C2=O)cc1 408536340 QYHTWJOTVJRKDI-SFHVURJKSA-N 371.396 3.750 30 40 FHEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(F)cc1 408962629 IOPXAMNWNGRTCJ-ZMMCEODWSA-N 373.365 3.673 30 40 FHEB CS(=O)(=O)Nc1ccccc1C(=O)/C=C/c1c(F)cccc1Cl 75149057 UPZQHAQAHKNOKE-MDZDMXLPSA-N 353.802 3.747 30 40 FHEB C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1/C(O)=N/Cc1csc2ccccc12 329053272 RVQUNXKDEYZEEL-UWVAXJGDSA-N 374.506 3.567 30 40 FHEB N#Cc1cccc(Nc2ncncc2-c2nc(-c3ccccc3F)no2)c1 252489840 KCBNZYHVXGYTEM-UHFFFAOYSA-N 358.336 3.948 30 40 FHEB O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1cccc2ccccc12 16478618 QMDGCRCUHUKZEI-OEAKJJBVSA-N 361.401 3.733 30 40 FHEB CCN(CC)c1ccc(/C=N/NC(=S)NCCc2ccccc2)cc1 3265602 AETZKPUWMQUIAM-CJLVFECKSA-N 354.523 3.574 30 40 FHEB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 40116753 QNZDHWIYYZERDP-SFHVURJKSA-N 373.334 3.544 30 40 FHEB N#Cc1cnc(SCC(=O)c2ccc(C3CCCCC3)cc2)nc1N 23105964 UKPZWNAYDFJEOR-UHFFFAOYSA-N 352.463 3.953 30 40 FHEB COc1ccc(CNc2oc(COc3ccc(F)cc3)nc2C#N)cc1 2399508 ATPOZJCPJYXNLW-UHFFFAOYSA-N 353.353 3.885 30 40 FHEB N#CCCn1cc(/C=C2/N=C3CCCCCN3C2=O)c(-c2ccccc2)n1 3192871 UTAPJGKUHNUHMR-NBVRZTHBSA-N 359.433 3.619 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCC4=CCCCC4)[C@H]3[C@@H]3O[C@@]132 4041522 CBJRUAZKWGJCSM-RUZUTBJTSA-N 373.537 3.992 30 40 FHEB biogenic C=CCSc1nnc(CNC(=O)c2ccc(F)cc2)n1-c1ccccc1 4052706 OFZWVMSYZSMJJY-UHFFFAOYSA-N 368.437 3.615 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 6253629 CQSSBWQFINAYNL-NSHDSACASA-N 355.419 3.834 30 40 FHEB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 6436823 MUTGEXRGIAWFEU-CYBMUJFWSA-N 354.431 3.839 30 40 FHEB COc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1Br 6736686 VYDIWHCJDQVLNM-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB C[C@@H](Sc1ncnc2sccc12)C(=O)N(C)C1(C#N)CCCCC1 7363485 DEYKOOOVYXIKBI-GFCCVEGCSA-N 360.508 3.857 30 40 FHEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(C2CCCC2)c1C 8734446 CNPAWFGHAFWEOR-UHFFFAOYSA-N 361.496 3.674 30 40 FHEB CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 12731413 JRHGQZWGCNYNET-UHFFFAOYSA-N 355.246 3.831 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 14165009 KRCXDGREQPWMQR-BONVTDFDSA-N 362.355 3.873 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)o2)n1 23105211 XPLSMBWKTNDXOY-VIFPVBQESA-N 362.461 3.532 30 40 FHEB Cc1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)NCc2ccco2)c1C#N 32117747 USMYQSYLBPKCSD-JTQLQIEISA-N 369.368 3.671 30 40 FHEB COC(=O)Cc1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 38345288 LGPFHQVEKXEUBO-UHFFFAOYSA-N 361.357 3.648 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 40107293 RLYZSIDQVANDMK-MSOLQXFVSA-N 356.466 3.907 30 40 FHEB N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67062555 IEAPXMRATWBVEH-GOSISDBHSA-N 373.815 3.634 30 40 FHEB CN(Cc1ccc(F)cc1)C(=O)c1cccc(CNc2ncccc2C#N)c1 95468162 BEJGDJXYEUHKBS-UHFFFAOYSA-N 374.419 3.977 30 40 FHEB C[C@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225859211 IXPSWHLMQAAHLI-AWEZNQCLSA-N 370.884 3.587 30 40 FHEB CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1C(=O)O 408531337 PJMAEKXIZCJDHL-WJDWOHSUSA-N 368.414 3.675 30 40 FHEB N#CCOc1ccccc1/C=C1\SC(=Nc2ccccc2F)NC1=O 408848770 TYGXEQGRZUGTSH-WJDWOHSUSA-N 353.378 3.620 30 40 FHEB O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl 4938060 JZVJZNZVGCIPCX-MEBUONCMSA-N 368.245 3.751 30 40 FHEB C#CCNC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 22367813 FVHBOGDGSNHLNU-LLVKDONJSA-N 371.462 3.727 30 40 FHEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC 12624262 NKTXCZVERSECAY-QBNCKDSPSA-N 355.463 3.508 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc2c(c1)OCO2 408732094 RYBKCDOGDPDWJT-IBGZPJMESA-N 366.442 3.714 30 40 FHEB C=CCNc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 5784280 ZTEQJCSCUKDFAI-ZDUSSCGKSA-N 373.507 3.563 30 40 FHEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCOC)C1=O 409124617 IIYVVBVJWZCYMC-QGOAFFKASA-N 367.426 3.535 30 40 FHEB N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccco3)cc2)ccn1 1556870922 MSHINWPPAWMZIQ-UHFFFAOYSA-N 371.356 3.981 30 40 FHEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1 225926452 SRQKBSKIIPNKRP-UHFFFAOYSA-N 368.477 3.763 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403704 PPZMHNJLVIKSPR-LJQANCHMSA-N 356.853 3.732 30 40 FHEB C=C(C)[C@H]1CCC2=C[C@@H](C[C@@]3(C)O[C@H]3c3cc(C(=O)OC)c(o3)C1)OC2=O 5158396 PPHCYWKQJLNLQQ-LSMNFQPXSA-N 372.417 3.667 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 6870643 FIXQMXNKARRNCO-YVLHZVERSA-N 368.414 3.706 30 40 FHEB CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(F)cc2)cc1 2623873 KZKZKNKTQFWZKM-UHFFFAOYSA-N 371.437 3.823 30 40 FHEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCC 59104908 IRIACEMOTHEGRE-MIMOMMJQSA-N 360.479 3.744 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)c1 7702240 VREHFZBGERDPOM-SFHVURJKSA-N 354.456 3.688 30 40 FHEB CCCn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 6654081 BWPTUWBWTQDWSM-UHFFFAOYSA-N 360.508 3.836 30 40 FHEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409021201 YZELOHNZOBVEJB-YBFXNURJSA-N 364.445 3.671 30 40 FHEB O=S(=O)(NCc1ccc(/C=N/c2ccc(F)cc2)o1)c1ccccc1 408776432 OCRVQXAUOMBNEU-UDWIEESQSA-N 358.394 3.648 30 40 FHEB N#Cc1ccncc1N1CCN(CCCc2cccc3ccccc23)CC1 519059891 FDOVCYCQXLGUJO-UHFFFAOYSA-N 356.473 3.861 30 40 FHEB Cc1ccc(C)c(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)c1 225842950 QMBYNTGHSBOKBY-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 331623543 YCYWCJQSDJNDAH-PBHICJAKSA-N 350.459 3.622 30 40 FHEB CCNC(=S)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 6026492 NIDHOTGEGCZXPV-KEBDBYFISA-N 364.902 3.574 30 40 FHEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccncc1 15856770 MZCKGPWIGOCOEV-LSCVHKIXSA-N 350.234 3.818 30 40 FHEB N#Cc1cc([N+](=O)[O-])ccc1NCCCNc1ccc(C(F)(F)F)cn1 32911768 FQNSSDOSIOMCOV-UHFFFAOYSA-N 365.315 3.794 30 40 FHEB CCN(C(=O)COC(=O)c1ccc(C#N)cc1)c1cccc2ccccc12 3216289 DYDFXGZZRITVKC-UHFFFAOYSA-N 358.397 3.921 30 40 FHEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)=O)cc3)S2)cc1 408756136 XUXHCFNFPPBLJZ-BOPFTXTBSA-N 368.414 3.512 30 40 FHEB N#Cc1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCC2 7990013 OWKKXNBSNPMPJV-AWEZNQCLSA-N 357.504 3.946 30 40 FHEB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccc(C#N)c3)n2)cc1 67898816 VEOMIIKCHYBPHH-NRFANRHFSA-N 374.444 3.530 30 40 FHEB biogenic,in-vitro Cc1ccccc1C[C@H]1SC(N/N=C/c2ccc(Cl)cc2)=NC1=O 6056079 STHIIXWUORFXAC-MBTVCVBTSA-N 357.866 3.813 30 40 FHEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 20917202 VATMCQXEUZMJKY-UHFFFAOYSA-N 352.253 3.830 30 40 FHEB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(C#N)cn2)CC1 69814070 ODXQMZIJNFIMFC-IBGZPJMESA-N 369.513 3.532 30 40 FHEB CC(C)Cn1c(S[C@@H](C)C#N)nc2ccc(Br)cc2c1=O 7441343 KDMSUMHFNAXQPU-JTQLQIEISA-N 366.284 3.819 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19867136 QLHWMZAMVJTKST-GOSISDBHSA-N 354.450 3.639 30 40 FHEB O=C(Cc1ccc(F)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 90610464 JRRNGOAJYNFGSV-UHFFFAOYSA-N 365.326 3.586 30 40 FHEB O=C1Nc2ccccc2/C1=N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1001196 MZCXPGDJLVGLAU-RGVLZGJSSA-N 360.329 3.630 30 40 FHEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 4888151 XLKKTKRVTWBFPK-VZZUUUIUSA-N 367.474 3.939 30 40 FHEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21 32094612 MPDZJWHFTCHYCE-OAQYLSRUSA-N 364.449 3.757 30 40 FHEB COc1ccc(Nc2oc(COc3ccccc3OC)nc2C#N)cc1 646630 YRCNNISBIIASHD-UHFFFAOYSA-N 351.362 3.886 30 40 FHEB N#CCC[C@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccccc1 12526473 FOTYCVFNAMUJKA-OAHLLOKOSA-N 360.446 3.865 30 40 FHEB Cc1cc(C)n(NC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)c1C#N 3315996 APMWDGNAPRWAHP-UHFFFAOYSA-N 359.385 3.513 30 40 FHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccncc1)c1ccccc1 5409278 FNPDHQWFCICVSC-FQEVSTJZSA-N 370.408 3.860 30 40 FHEB CCOC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576210 HJLWKGDZOZTKIS-BYPYZUCNSA-N 358.103 3.585 30 40 FHEB biogenic Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn2ccccc2n1 49723815 QXCAEDZUMHJEIH-UHFFFAOYSA-N 369.384 3.954 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C1\O[C@H]([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1=O 245240706 RSIBIUSOHOXXOW-JOUNOOMPSA-N 370.489 3.875 30 40 FHEB N#C[C@@H]1CCCC[C@H]1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 598097875 VIOBJVWQAMXCQA-XHDPSFHLSA-N 365.246 3.818 30 40 FHEB N#Cc1ccsc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 8705584 MFKQSGGPPVTDQI-UHFFFAOYSA-N 364.474 3.919 30 40 FHEB COC(=O)c1cc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)ccc1Cl 59678934 JYPQJBHXMDSXBU-JZOCJUILSA-N 361.781 3.729 30 40 FHEB Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1 22516994 ANNMPRCMUMUANJ-UHFFFAOYSA-N 366.808 3.989 30 40 FHEB N#Cc1cccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 3274270 HTDSOXHGNIXIHD-UHFFFAOYSA-N 373.199 3.826 30 40 FHEB Cc1ccc(-c2cnc3n2C[C@]2(CCN(c4ccc(C#N)cn4)C2)C3)cc1 306144646 ZKWCMOPYYIZJDE-JOCHJYFZSA-N 355.445 3.578 30 40 FHEB COc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 18284771 MWCJPMVNVHSCLY-FLFQWRMESA-N 370.412 3.914 30 40 FHEB CCOC(=O)c1cccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 408850176 HMGFGIHLPQEOPI-JMIUGGIZSA-N 361.781 3.731 30 40 FHEB CCc1nc([C@@H](C#N)C(=O)/C=C/c2ccc(NC(C)=O)cc2)sc1C 83817761 LEUPFHRJCKLHFN-JCVNQNCUSA-N 353.447 3.862 30 40 FHEB Cc1ccccc1COc1nn(Cc2ccccc2Cl)c(N)c1C#N 225839600 GWUNFLZDBXOCBI-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225078951 AYXMIHWINOONAT-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB COc1cccc(C=Nc2ccc(I)cc2)c1O 252394242 BTSADZVEHYYJKP-UHFFFAOYSA-N 353.159 3.756 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3c(C)cccc3C)c3n2CCC3)cc1 13769241 HEFQUJIQEJAFIC-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 7036851 HFFZYSRHGZRYNS-UHFFFAOYSA-N 374.425 3.819 30 40 FHEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1OC 1518311 NKIHWXKBACVACP-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2oc3c(c12)CCCC3 2317725 LPEZOVFEHBQZGJ-FSJBWODESA-N 373.412 3.918 30 40 FHEB COc1ccc(-c2c(C)oc3cc(OCC#N)ccc3c2=O)cc1OC 2427553 ZFSMPMDXRIEKEK-UHFFFAOYSA-N 351.358 3.688 30 40 FHEB biogenic COc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1O 670225 JDZGZZJACVSFLU-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB Cc1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)ccc1O 16779792 AGKRDODJPAQBKH-UHFFFAOYSA-N 366.442 3.948 30 40 FHEB CCC[C@@H](NC(=O)COc1ccc(C#N)cc1OCC)c1ccccc1 12808995 GCFZTKDWNXYMHA-GOSISDBHSA-N 352.434 3.993 30 40 FHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1O 18196784 RFIRNUKMUUASJU-HXUWFJFHSA-N 365.385 3.694 30 40 FHEB O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl 23218688 TVCGTLIBXYJSDC-JYRVWZFOSA-N 351.815 3.751 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 409123182 FKPLVSZMTOXTCT-LDADJPATSA-N 368.820 3.998 30 40 FHEB N#Cc1ccc(CSc2nnc(-c3cccc(C(N)=S)c3)o2)cc1 35311369 CKSJLTNPDHBHEL-UHFFFAOYSA-N 352.444 3.535 30 40 FHEB N#CCc1cccc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 619506313 HGOBKPYQANWMEA-JCNLHEQBSA-N 360.866 3.631 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCC2 5046250 UHVJKOBQDZBVID-RYUDHWBXSA-N 364.854 3.671 30 40 FHEB C=C(CC(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F 3117420 IHEOJXHMBNVNAG-UHFFFAOYSA-N 352.287 3.767 30 40 FHEB CCOc1cccc2s/c(=N/C(=O)c3ccc(C#N)cc3)n(CC)c12 12378116 SFLWHJSGAKJJOD-XUTLUUPISA-N 351.431 3.734 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(C)c3)ccc2c1=O 3631268 GASIHCAMSRKLHC-UHFFFAOYSA-N 351.431 3.806 30 40 FHEB COCc1cc(C)nc2sc(C#N)c(NC(=O)c3ccccc3OC)c12 4709904 AGHPNMYULPAWNZ-UHFFFAOYSA-N 367.430 3.884 30 40 FHEB Cc1nc(SCC(=O)N[C@@](C)(C#N)C2CC2)c2c(C)c(C)sc2n1 4799436 UMPUUQSTICFODD-KRWDZBQOSA-N 360.508 3.517 30 40 FHEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)c(OC)c1 5391968 QIHFOMQDVIHPLZ-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB C(=N/NC1=NCCCCC1)\c1cn(-c2ccccc2)nc1-c1cccnc1 5446855 ZINDIBWEPRZFKY-BUVRLJJBSA-N 358.449 3.830 30 40 FHEB CN(/N=C\c1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5889738 MFRQPZWPZFPOGU-ODLFYWEKSA-N 351.322 3.522 30 40 FHEB CC1(C)Cc2cccc(OCC(=O)OC/C(O)=N/c3ccccc3)c2O1 6032719 ZIBGTTLZPCLWCA-UHFFFAOYSA-N 355.390 3.610 30 40 FHEB C/C(=N\Nc1ccccc1)[C@@]1(C)N(O)C(C)(C)C(c2ccc(C)cc2)=[N+]1[O-] 7813288 FYODMUXCJIBRKL-BCIXFCFJSA-N 366.465 3.982 30 40 FHEB C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2ccsc2c1=O 9450663 RSMGIRJMKCGHGR-AWEZNQCLSA-N 372.471 3.650 30 40 FHEB COC(=O)CCCCCCC/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17162508 MGSOORHRAPSCTE-BOPFTXTBSA-N 366.374 3.804 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(F)cc1 22608141 MCBZHYOYHUADHG-CLAHSXSESA-N 366.318 3.704 30 40 FHEB CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/N=C/c1cccc2[nH]ccc12 32095330 KVLXXKWZWSUCQF-OPEKNORGSA-N 374.488 3.905 30 40 FHEB C=C(C)CN(CC)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 57158068 BGNQOEGZMXRMCU-FQEVSTJZSA-N 350.462 3.972 30 40 FHEB C=CCn1c(SCC(OCC)OCC)nc2sc(C)c(C)c2c1=O 95941644 VTUWFOFXEXJISG-UHFFFAOYSA-N 368.524 3.752 30 40 FHEB Cc1ccc(/N=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)cc1C 102944114 KFYTYQQTFWAJCW-OEAKJJBVSA-N 360.461 3.971 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(C)c(OC)c3)C2=O)s1 136501670 PUPBISODLCBZKZ-FOCIWHPXSA-N 359.476 3.835 30 40 FHEB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C#N 225772296 MXAXKEVVWHOXEI-UHFFFAOYSA-N 350.418 3.562 30 40 FHEB N#CCCn1cc(C(=O)CN2CCOc3cccc(F)c32)c2ccccc21 79103662 RYEJROITJIONIV-UHFFFAOYSA-N 363.392 3.776 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OCC 4997991 WVOIFRYCWTXVDG-SFQUDFHCSA-N 365.360 3.581 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409136084 WUADYWYMFSYIOC-NTEUORMPSA-N 373.752 3.587 30 40 FHEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1 5341845 HIBJBBONOQRCGR-UHFFFAOYSA-N 352.419 3.564 30 40 FHEB N#Cc1cccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 14245463 FDYORYGSGVRWKI-UHFFFAOYSA-N 364.829 3.704 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1F 4816256 CTXKGBVSTAWWGN-UHFFFAOYSA-N 374.485 3.811 30 40 FHEB COc1ccc(C(=O)NCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312933 OLSXRSSOWPIRAV-UHFFFAOYSA-N 374.444 3.574 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2CC3=C(CC(C)(C)CC3=O)NC2=O)cc1Cl 1740818104 BHYWNRXXOLZPMC-GFCCVEGCSA-N 374.868 3.756 30 40 FHEB C=C[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1/C(=C\OC)C(=O)OC 195763604 TZUGIFAYWNNSAO-PZWMAMQXSA-N 366.461 3.593 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 1098329 JNHFLUWQGXNFEL-WOJGMQOQSA-N 366.442 3.772 30 40 FHEB CCCCCCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CC)C1=O 17084612 DBXNBIRDRQUSKM-BSBNDGSWSA-N 361.511 3.725 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)cc1 823641 DDYAHWPXOJULFD-LJQANCHMSA-N 355.434 3.616 30 40 FHEB N#Cc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610015 SCTWPWRKBHOIIS-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 20036451 NMKRTUNGKYRWPO-INIZCTEOSA-N 352.434 3.625 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2cccc(F)c2)cs1 25321986 NVTSBIPDSGPRHV-UHFFFAOYSA-N 353.378 3.838 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc2ccccc12 10030305 FRXOOLQHBKYDCT-MRXNPFEDSA-N 373.456 3.827 30 40 FHEB Cc1sc(NC(=O)CSc2ncnc3ccccc23)c(C#N)c1C 8231602 KNHKBNJXQYCOSV-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(Cl)cc2c1OCOC2 6466557 WJVJADONSNCUSA-GFCCVEGCSA-N 373.792 3.589 30 40 FHEB CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(C#N)c2)CCCCCC1 24493893 BGLNDAFUSMDHJD-UHFFFAOYSA-N 371.481 3.906 30 40 FHEB C#CCOc1ccc(Cl)cc1/C=N\OCC(=O)Nc1ccc(C)cc1 409379439 XOKPKRUUXIPARQ-MTJSOVHGSA-N 356.809 3.650 30 40 FHEB COc1cc(C#N)cc(Br)c1OCc1ccc(C(=O)O)cc1 408539639 XUHOVNGDLYBVPJ-UHFFFAOYSA-N 362.179 3.607 30 40 FHEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(Br)cn2)c1O 38174571 NTWVOKFBIVVFSM-PJQLUOCWSA-N 356.563 3.862 30 40 FHEB Cc1nsc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C#N 587760683 OLDPKVNSUMGQHV-ZDUSSCGKSA-N 369.425 3.896 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2cccc(Cl)c2)sc2c1CCCC2 5980939 BENARCMIMJQYGC-UHFFFAOYSA-N 374.849 3.947 30 40 FHEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1 19682251 JGQSQTHHVFYQNZ-UQQQWYQISA-N 354.457 3.803 30 40 FHEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(C)O 4727025 DWOBOIHVETVJBV-MVINOYJNSA-N 350.474 3.578 30 40 FHEB O=C1CC(/C=C/c2ccccc2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800836 FERHLUARJLNLDZ-PIGZCFNCSA-N 373.452 3.992 30 40 FHEB COc1ccc2c(C)cc(SCC(=O)N[C@](C)(C#N)C(C)C)nc2c1 2644563 DIMIETLBCOOBFH-LJQANCHMSA-N 357.479 3.698 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 12110069 NLMUVQXHMBSKME-UHFFFAOYSA-N 367.792 3.838 30 40 FHEB C[C@]12CN(C(=O)c3ccccc3Br)[C@]3(C#N)C[C@H]1CC[C@@]23C 100920918 CVHMQGJZIHCCGG-IEGACIPQSA-N 359.267 3.994 30 40 FHEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3250028 PWFJZGRWXKFJQI-LLVKDONJSA-N 362.307 3.761 30 40 FHEB C[C@@](C#N)(NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)C1CC1 3386514 RNJIKHZYFMHSKP-ZDUSSCGKSA-N 363.792 3.654 30 40 FHEB Ic1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1 408719080 IMQXFLRFHHSCDP-CXUHLZMHSA-N 362.174 3.614 30 40 FHEB CCOC(=O)C1=C(O)c2ccccc2C(=O)/C1=C\c1ccc(OC)cc1 18098233 PWUGEFJWWIBKEP-ATVHPVEESA-N 350.370 3.807 30 40 FHEB C=C(C)COc1cccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)c1 78579852 MCYDWOVWRBGZRJ-UHFFFAOYSA-N 363.417 3.930 30 40 FHEB CC(C)c1ccoc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 585698815 SRDWEUSUDHBZJS-UHFFFAOYSA-N 374.444 3.785 30 40 FHEB C=CCN1C(=O)N(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc21 1889104453 CNYQGRABEJPFCJ-UHFFFAOYSA-N 362.838 3.970 30 40 FHEB C=CCSc1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1 7594318 LUQYLXDZZUGGJN-UHFFFAOYSA-N 365.480 3.623 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl 32832142 UWTAFYJQTNKADF-YVEFUNNKSA-N 356.297 3.868 30 40 FHEB N#Cc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 1100218 FNTVVBMRRYXKRL-SXGWCWSVSA-N 365.370 3.703 30 40 FHEB N#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccccc1 1382503 JXZYOOLJGBAWAZ-UHFFFAOYSA-N 362.410 3.643 30 40 FHEB CCN(CC)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1 4549465 CLRYDPQDCRZBPB-CJLVFECKSA-N 353.466 3.826 30 40 FHEB COc1ccc(N/C=C2/C(=O)c3ccccc3O[C@]2(O)C(F)(F)F)cc1 9060755 LABLDYRDMJRUTP-QXSWTLKVSA-N 365.307 3.517 30 40 FHEB Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)cc1 408582198 MKEASGIFYUJKFL-UHFFFAOYSA-N 357.504 3.647 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OCC 34688399 QGBKYEFXBYBCKT-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793669 PNBUUHGVDLGULK-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB CC(C)c1[nH]ccc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 332418204 OODBHWINOPEZOM-UHFFFAOYSA-N 356.857 3.626 30 40 FHEB Cc1c(Cl)cnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)c1C#N 612089992 AONDYKMXZHKNIG-GOSISDBHSA-N 362.260 3.752 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)NC2=O)c(C)c1 13896113 GUHBLVFQRVRFCV-INIZCTEOSA-N 353.447 3.551 30 40 FHEB N#Cc1nccnc1N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2086896825 KRECFFWQMOUWPR-UHFFFAOYSA-N 356.433 3.553 30 40 FHEB N/C(=N\OCC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccs1 50513014 JBEZFKONXZPAJS-UHFFFAOYSA-N 351.431 3.691 30 40 FHEB C=CCN(C(=O)c1cnc2ccccc2n1)c1nc2c(s1)CCCC2 21897763 RDXLVZHZBBRVJN-UHFFFAOYSA-N 350.447 3.798 30 40 FHEB C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1sc(C(C)(C)C)nc1C 41700510 AKMPOKFUTRDGEQ-XDHOZWIPSA-N 365.524 3.989 30 40 FHEB N#Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc12 51319117 NVZRWBBSURVGMS-UHFFFAOYSA-N 357.457 3.994 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccncc2)o1 796006 RPISMGVUDATWHP-LJQANCHMSA-N 374.396 3.762 30 40 FHEB CCOc1ccc([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 25049092 ZLXLIIDTMULNQS-OAHLLOKOSA-N 368.481 3.622 30 40 FHEB COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1CN1CCOCC1 35678810 BZZFGEQBOXJZQC-GQCTYLIASA-N 357.475 3.793 30 40 FHEB C=CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 4436258 FGZMPYPUEQXASG-INIZCTEOSA-N 356.426 3.717 30 40 FHEB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1 6602303 FEPJVNGOSKHBCI-UHFFFAOYSA-N 359.788 3.603 30 40 FHEB Cn1c(N/N=C/c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 4793706 OYBRESUVFBPSIM-KEBDBYFISA-N 372.881 3.973 30 40 FHEB N#Cc1ccc(OCC(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 79093653 ZRZZLYPORWVPOH-UHFFFAOYSA-N 350.393 3.782 30 40 FHEB N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)ccn1 572656166 WASKDCTYZMMLCI-UHFFFAOYSA-N 369.384 3.803 30 40 FHEB C=CCNC(=O)[C@@H]1Cc2cn(CC=C)c3cccc(c23)[C@H](CC(C)C)N1 49171828 VIZNSNDQNIUADO-OALUTQOASA-N 351.494 3.731 30 40 FHEB biogenic,in-vitro C=CCNC(=O)C1(NC(=O)Cc2ccc3ccccc3c2)CCCCC1 58309152 ZWQAZHHUPGKJMM-UHFFFAOYSA-N 350.462 3.504 30 40 FHEB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C#N)cc1 4679274 WZLAXAKEGKSXSK-UHFFFAOYSA-N 350.397 3.819 30 40 FHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)[C@H]1C=C[C@H]2C1 104594227 XNHADTYHXKWWHB-BBMQJAGTSA-N 366.804 3.741 30 40 FHEB Cn1cccc1-c1csc(NC(=O)CSCc2ccc(C#N)cc2)n1 58084881 HTPBNCQEBNEZOQ-UHFFFAOYSA-N 368.487 3.892 30 40 FHEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 48313960 IGGAWUMMLISASC-SFHVURJKSA-N 373.378 3.728 30 40 FHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5825971 JGOZVGHHPXXWMP-YVLHZVERSA-N 354.358 3.635 30 40 FHEB biogenic N#CCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 7738746 IYXTXUQCDQYLLB-UHFFFAOYSA-N 372.400 3.959 30 40 FHEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2scc(C3CC3)c2c1=O 9481151 VZMYTGKRCQTGQA-UHFFFAOYSA-N 371.487 3.825 30 40 FHEB Cc1[nH]c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1Cc1ccccc1 9946755 ZFDXFDLCDVTODK-YWZLYKJASA-N 370.522 3.844 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895396 NURNUALDLDBKNZ-PWRODBHTSA-N 357.388 3.942 30 40 FHEB CC[C@H](C#N)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 589587395 KKKWCPHOECRGGU-CYBMUJFWSA-N 350.827 3.713 30 40 FHEB CCN(CC)c1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 19959706 GFBHDWRSJFRKMY-RBZFPXEDSA-N 365.481 3.701 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 22277352 ZFJNSWWVYCZQGE-NRFANRHFSA-N 362.454 3.821 30 40 FHEB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 3404495 VXDYQTHDSLQYSL-UGSOOPFHSA-N 369.852 3.995 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@]132 4027411 AWARIKSVYAKVLG-XETSRNHHSA-N 361.526 3.634 30 40 FHEB biogenic CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC)ccc3C2=O)cc1 6555751 ORARZNXRUJAGFV-JFENUBAZSA-N 352.386 3.806 30 40 FHEB CCc1cc(S[C@@H]2C[C@H](C)OC2=O)n2c(nc3ccccc32)c1C#N 9115134 ORWAMFQZEGSXRJ-MEDUHNTESA-N 351.431 3.718 30 40 FHEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCCOc1ccccc1Cl 46084723 PQEJIMLRMGJEPH-SILNSSARSA-N 365.216 3.987 30 40 FHEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OCC)cc1 224584400 NVYJXKVJBGIRRA-UHFFFAOYSA-N 361.463 3.865 30 40 FHEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OCC)cc1 224597770 WJHOBZLHUOVJHF-UHFFFAOYSA-N 353.390 3.745 30 40 FHEB Cc1cc([N+](=O)[O-])cc(/N=C/c2cc(Br)ccc2O)c1O 95482074 ZQRRJUYIOMBARV-FRKPEAEDSA-N 351.156 3.828 30 40 FHEB CC(C)(C)OC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 675081538 HGEFQYYPZWWXAR-UHFFFAOYSA-N 352.667 3.523 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 7049459 NZPZQYOVVBLYSL-CQSZACIVSA-N 357.454 3.848 30 40 FHEB CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 38576624 HIFJCPQKFCZDDL-JPFMOUBCSA-N 360.494 3.541 30 40 FHEB in-vitro C=C1C(=O)[C@@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CCC[C@@]41CO5 4268211 IRLSPLDEXYXVFI-PSZVHOMLSA-N 372.505 3.883 30 40 FHEB Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1 4952802 PEPONRUNOJOGCB-ZMOGYAJESA-N 370.416 3.789 30 40 FHEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccco1 6234191 DGASNKZMMCBKFP-UHFFFAOYSA-N 372.425 3.902 30 40 FHEB CCO/N=C/c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 17696210 FMBONUZHPMDKQM-FYJGNVAPSA-N 351.406 3.927 30 40 FHEB Cc1ccc(Cl)cc1N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 8703031 CIHQBWWJXQWBQY-UHFFFAOYSA-N 356.813 3.755 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc(F)c1 22608212 PYSXDHGJROEYHX-CLAHSXSESA-N 366.318 3.704 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc(F)c1 22608210 PYSXDHGJROEYHX-RTHLEPHNSA-N 366.318 3.704 30 40 FHEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 100261279 DEGZRMHXNUZMMB-XOMICKMZSA-N 371.437 3.724 30 40 FHEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N1CC 408929012 GJVYTRHSCLUBNC-KERPIWHLSA-N 370.430 3.957 30 40 FHEB CNc1nc(N/N=C/c2c[nH]c3ccccc23)nc(Nc2ccccc2)n1 4455703 ZVOWQSZPLNZYSR-WSDLNYQXSA-N 358.409 3.584 30 40 FHEB C=CCN(c1ccccc1CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071544 IWELCWZIPHGCME-UHFFFAOYSA-N 360.435 3.847 30 40 FHEB C=CCC1=C(OC(C)=O)C2=CC=C3C(C)=C(C)C(=O)C[C@]3(C)C2=C(O)C1=O 68564887 DAUGPTXSWLWTPQ-QFIPXVFZSA-N 366.413 3.956 30 40 FHEB biogenic O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 1453155 HAAREUIAIMREHT-GFCCVEGCSA-N 351.353 3.562 30 40 FHEB COc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c(OC)c1 19419394 YVNKNGTUTNHGAQ-HMAPJEAMSA-N 373.884 3.509 30 40 FHEB C[C@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 4344350 LFGUOKSONBHVJF-JOWUOGACSA-N 370.365 3.745 30 40 FHEB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5241777 CUGWXCXXMQSXHX-UHFFFAOYSA-N 374.487 3.544 30 40 FHEB C=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(Cl)ccc21 100485715 YUPLAHOFBMTIPE-LJQANCHMSA-N 370.836 3.629 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 933889 SRMCSEJJMFIXHH-CXAGYDPISA-N 369.490 3.902 30 40 FHEB O=S(=O)(OC[C@H]1CC2CCC1CC2)c1ccc(Br)cc1 1664408 YACWBNJPMFWCGW-WXRRBKDZSA-N 359.285 3.981 30 40 FHEB CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1C#N 7218194 ZNHSECMJHRHSQJ-UHFFFAOYSA-N 355.246 3.686 30 40 FHEB COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1OC(F)F 2739458 XMNQFBQSAGTAPK-UHFFFAOYSA-N 364.373 3.971 30 40 FHEB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c(C#N)cnn32)ccc1O 102831742 FMJHAAJXBLRQSH-SFHVURJKSA-N 364.405 3.777 30 40 FHEB CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 20034507 QCFVBBCEBQMVOL-UHFFFAOYSA-N 362.480 3.736 30 40 FHEB N#Cc1ccc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)cc1 3238208 ZRXURMZUCMGEJQ-FOKLQQMPSA-N 356.410 3.879 30 40 FHEB N#Cc1cccc(COc2cccc(NC(=O)NCc3ccccn3)c2)c1 48319512 WLOSILJKLGXFFK-UHFFFAOYSA-N 358.401 3.854 30 40 FHEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(F)F 7745513 ZLVVIFMLORNRTF-GORDUTHDSA-N 362.328 3.964 30 40 FHEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc(N2CCN(C)CC2)cc1 7783179 UKFQQTBFPUTWMQ-JJIBRWJFSA-N 359.477 3.823 30 40 FHEB C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 6369602 HYXBTLODXBKJPM-GFCCVEGCSA-N 360.255 3.676 30 40 FHEB N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl 4888917 XOEKOHNUXFBSSZ-UHFFFAOYSA-N 373.623 3.889 30 40 FHEB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CS(=O)(=O)c2ccccc21 96792610 CAIWFJBOBHCWLE-XFXZXTDPSA-N 352.333 3.759 30 40 FHEB N#Cc1cccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 32757091 ZQNNPXZBMBPXFC-UHFFFAOYSA-N 361.470 3.731 30 40 FHEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 224729697 UMFDTXSHEVHFKN-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB Cc1csc(SCC2CCN(C(=O)c3cccc(C#N)c3)CC2)n1 90608130 UYGZHFFYQGJZEA-UHFFFAOYSA-N 357.504 3.968 30 40 FHEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1cncn1-c1ccc(F)cc1 84777469 DISWOQSTYXIESB-UHFFFAOYSA-N 366.371 3.684 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1F 19959842 KIMOVLZXKQUHGS-XLKFXECMSA-N 366.318 3.704 30 40 FHEB Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)c2ccccc2n1 4240886 LEMIZWPXHJGLTG-ZDUSSCGKSA-N 354.479 3.762 30 40 FHEB CCCN(CC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 40157860 GJGONKVGXGGYJA-UHFFFAOYSA-N 352.369 3.713 30 40 FHEB N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 7670522 NWYIWVLDUAZEFE-MRXNPFEDSA-N 363.442 3.994 30 40 FHEB COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(OC)c1OC 1084622 VHEYLBPWTNNRIV-GFCCVEGCSA-N 368.414 3.812 30 40 FHEB C=CCOc1c(OCC)cc(C=O)c(Br)c1Br 2763062 IOHUPFCAYMTGNF-UHFFFAOYSA-N 364.033 3.988 30 40 FHEB C=CCn1c(C)nnc1SCCC(=O)Nc1cc(Cl)ccc1OC 32871044 SVPYIBRYDTYYEY-UHFFFAOYSA-N 366.874 3.555 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1 12377998 DWTWJGGZXYBGHU-INIZCTEOSA-N 353.447 3.551 30 40 FHEB C=CCNC(=O)[C@H](C)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 23626901 FMYLAJARLNAAAC-AWEZNQCLSA-N 356.422 3.599 30 40 FHEB CC(C)[C@H]1/C=C/C[C@](C)(O)C[C@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 104058113 JJEBKVFRHNKOBW-GNSQKDIQSA-N 374.477 3.838 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O 104802865 NEZCPCJFQLUVCA-GOSISDBHSA-N 372.380 3.896 30 40 FHEB Cc1nc(C)c([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 56022375 UNTIOCQQGLGHEC-LLVKDONJSA-N 354.435 3.815 30 40 FHEB COCCOc1ccc(/C(C)=N/Nc2cc(C(=O)O)ccc2Cl)cc1 43950272 UMNQVEYJOGIHFP-UDWIEESQSA-N 362.813 3.900 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 6407368 SGJXROWDQQFGNE-IBGZPJMESA-N 365.429 3.610 30 40 FHEB CO/N=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 17696912 ZXQZJCWYQWSOAR-LPYMAVHISA-N 363.417 3.740 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2ccccc2)c1 409365217 YRMJCUKBXOHESN-UHFFFAOYSA-N 371.396 3.563 30 40 FHEB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608370 VLOAVPZSDFKZFY-BJOHPYRUSA-N 360.870 3.921 30 40 FHEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCC 409090938 RSCPEUDQYXSGSS-VXLYETTFSA-N 364.789 3.887 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409085587 BULGDDPTSLGFCK-GDNBJRDFSA-N 367.788 3.705 30 40 FHEB CC(C)(C1CCC(OC[C@@H]2CO2)CC1)C1CCC(OC[C@@H]2CO2)CC1 31372449 GZPRASLJQIBVDP-MHUBRMLGSA-N 352.515 3.961 30 40 FHEB C=CCOC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340099 MDIXHPMWRCSBON-UHFFFAOYSA-N 350.370 3.876 30 40 FHEB biogenic CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(C(C)C)cc1 78550075 SWWGVKKYGFLJLE-IBGZPJMESA-N 359.466 3.910 30 40 FHEB N#Cc1cccc(C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)c1 65257816 YCWDPVLEGDNNIS-UHFFFAOYSA-N 373.416 3.593 30 40 FHEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc12 4305168 LBXIBQQYUBUMMK-QDGJQWLKSA-N 366.461 3.744 30 40 FHEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1C[C@H]1CCCO1 6961461 KANPABMOBGDORK-BAOGCXAUSA-N 356.495 3.604 30 40 FHEB COc1ccccc1C/N=C(/N)SCc1cc(Cl)c2c(c1)OCO2 29470966 LZFGUJBJIHKJFV-UHFFFAOYSA-N 364.854 3.825 30 40 FHEB C[C@H](Oc1ccccc1C#N)C(=O)OCc1csc(Br)c1 46254744 LDHXAXVQXPIRGM-JTQLQIEISA-N 366.236 3.893 30 40 FHEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC)c(C)c1C#N 2748112 AAOMQWIZPPDYQI-CQSZACIVSA-N 358.419 3.511 30 40 FHEB COc1cc(CN(C(=O)c2ccc(C#N)cc2)C2CC2)ccc1OC(F)F 12797472 BWIBRDSROBJYHQ-UHFFFAOYSA-N 372.371 3.973 30 40 FHEB CC(C)c1cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(O)c(C(C)C)c1 7204864 DRSMZTWBJMGLDR-NRFANRHFSA-N 374.481 3.850 30 40 FHEB COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1OC 7350107 VVHULDWSTUPORG-CSKARUKUSA-N 351.402 3.727 30 40 FHEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872829 SSXLGZBOPGGONP-LBPRGKRZSA-N 367.478 3.544 30 40 FHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1 218612290 BDZVSWXPAQYQSM-GBESFXJTSA-N 373.861 3.551 30 40 FHEB N#Cc1ccnc(Nc2nc([C@H]3CCCN3Cc3ccncc3)cs2)c1 585294731 IOAVMELIFDNIAS-QGZVFWFLSA-N 362.462 3.885 30 40 FHEB CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)/N=C(/C)O)cc2)cc1 1104508 FUAQZRRTGYKGTR-XSFVSMFZSA-N 373.478 3.949 30 40 FHEB CCc1c(C)sc2nc(S[C@@H](C)C#N)n(C[C@H]3CCCO3)c(=O)c12 5571496 VUJVKGJWGCITET-CMPLNLGQSA-N 363.508 3.512 30 40 FHEB CC1CCC(OC(=O)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1430624 QMHSJCCPTUDVGF-UHFFFAOYSA-N 360.479 3.949 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)o1 1464708 POMPOWFIQKSVMX-IBGZPJMESA-N 374.396 3.762 30 40 FHEB Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)n1 12560812 YCJMJTOZMPBFNE-GOSISDBHSA-N 369.428 3.866 30 40 FHEB N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)cc1 12808410 DXSLVCUZIHZCTH-SFHVURJKSA-N 361.426 3.548 30 40 FHEB C=CCSc1ccccc1NC(=O)CCn1c(=O)n(C)c2ccccc21 21447923 OXJGLAGUHBAOEY-UHFFFAOYSA-N 367.474 3.647 30 40 FHEB C=CCn1c(SCc2ccc(C(N)=O)cc2)nnc1C1CCCCC1 14199729 PAESYVIXBKJWJN-UHFFFAOYSA-N 356.495 3.903 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1nccs1 4523269 PIHOWQJICAPRGD-MYRHIGEGSA-N 357.460 3.942 30 40 FHEB N#Cc1ccccc1COc1ccc(C=O)cc1I 5771241 VDFOHWDPBIMDQD-UHFFFAOYSA-N 363.154 3.554 30 40 FHEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCC 409108676 YKHCGMGHFAPHIK-FYJGNVAPSA-N 370.409 3.962 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 19287928 KPGJUGFNXQDRLZ-SFHVURJKSA-N 355.434 3.616 30 40 FHEB CCCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 20196750 NWUIBUBBQMIKSA-UDWIEESQSA-N 373.409 3.525 30 40 FHEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 215025304 PGFUKELMLUNZEN-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB C=CC(=O)Nc1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 1141290478 BBHAPQOFRUUQNQ-UHFFFAOYSA-N 372.346 3.611 30 40 FHEB C=CCN1CCC[C@@](C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1 19530067 IKDMKALNULPKOB-KKSFZXQISA-N 374.456 3.540 30 40 FHEB C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 4611516 SSOOEXBBPHSOTK-LTGZKZEYSA-N 356.425 3.913 30 40 FHEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)[C@@]2(O)C(F)(F)F 2349042 ZHXQVNCDKHMMON-MRXNPFEDSA-N 373.758 3.623 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S 16408022 UEKSDIVTIDTJCB-WQLSENKSSA-N 370.293 3.845 30 40 FHEB CC(=O)C1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 779661 AIFGMUQKEOBNOJ-UHFFFAOYSA-N 355.187 3.871 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 2463560 ZJRDFCZNGYQAJZ-RDJZCZTQSA-N 370.474 3.763 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2ccccc2)no1 102803868 ASLIIZSNVKRLJS-GROYHEBESA-N 364.357 3.511 30 40 FHEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(C)C1=O 103775694 GAPMVMWPPHTNGD-JVMRMLDLSA-N 353.447 3.585 30 40 FHEB CC[C@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccccc1 23019562 ZDCDVKDTZNSJAI-GOSISDBHSA-N 352.482 3.656 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100765814 JFDOWCHUCJOUET-OALUTQOASA-N 365.448 3.852 30 40 FHEB CC[C@H](C)[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 57304391 IVYQHLLPLZTLRC-KBPBESRZSA-N 370.453 3.573 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)cc3)ccc2c1=O 12609387 UVZLHRBNAGYPAU-UHFFFAOYSA-N 351.431 3.806 30 40 FHEB N#Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 10139822 PMJJBKMHJYSLMH-UHFFFAOYSA-N 358.445 3.858 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 3343948 FVFJWTRHTXYDAP-UHFFFAOYSA-N 350.296 3.603 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1cccnc1 4075120 DIGBTGWZFZNKPY-IBGZPJMESA-N 371.444 3.998 30 40 FHEB O=C(/C=C/c1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 5127625 RRZFDDDEKWFBGX-LFYBBSHMSA-N 353.393 3.723 30 40 FHEB CCC(=O)NC1=C(Nc2cccc(SC)c2)C(=O)c2ccccc2C1=O 5523914 UUTUZSVTYYWFSC-UHFFFAOYSA-N 366.442 3.637 30 40 FHEB O=C(/C(=N\Nc1ccc(F)cc1)c1nc2ccccc2o1)C(F)(F)F 4871999 QFVMKWZXXLQEQB-YDZHTSKRSA-N 351.259 3.915 30 40 FHEB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 15799394 IQOSPQKNLAGQTH-GFCCVEGCSA-N 373.503 3.641 30 40 FHEB CN1C=C(C(=O)c2ccc3c(c2)OCCO3)c2[nH]c3ccccc3c2CC1 79190958 CSRYDCGOGHCMKK-UHFFFAOYSA-N 360.413 3.651 30 40 FHEB biogenic COc1cc(CN2CCOCC2)cc(/C=N/c2cc(C)ccc2C)c1O 35185459 RQTBHAZLXRBHJE-LPYMAVHISA-N 354.450 3.600 30 40 FHEB O=C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225669669 URYFTYXVERRCHJ-ARFHVFGLSA-N 355.242 3.748 30 40 FHEB O=C[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225669498 QTYUEJZYBMSWNC-ARFHVFGLSA-N 355.242 3.748 30 40 FHEB CCOC(=O)Cn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118864 NMWZKDGYTJZNTH-FSJBWODESA-N 369.852 3.982 30 40 FHEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 100397920 PHYLCCCGGLSATE-JJUBJSHISA-N 372.852 3.765 30 40 FHEB C[C@H](NC(=O)CO/N=C/c1ccc(N(C)C)cc1)c1cc2ccccc2o1 25007124 IOGQKHVRVTXHNF-NSMHLIOHSA-N 365.433 3.727 30 40 FHEB O=C(O)CSc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1F 12933233 ISKOONUZEZXUQL-DAFODLJHSA-N 374.389 3.670 30 40 FHEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OCC)cc1 14353797 YAWBNLFCVIKZPX-UHFFFAOYSA-N 358.463 3.558 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 5504611 ZVRMCTQEUNROMA-INIZCTEOSA-N 358.344 3.799 30 40 FHEB CCn1cc(/C=C/C(=O)c2ccc(I)cc2)c(C)n1 6791941 UJVJREHULXEAHU-RMKNXTFCSA-N 366.202 3.712 30 40 FHEB N#Cc1cccc(Oc2ccc(NC(=O)NCCCn3cccn3)cc2)c1 66953385 VSZXYAWWAJWDTG-UHFFFAOYSA-N 361.405 3.759 30 40 FHEB Cc1cc(N2CCCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408961054 QMARZZDSCBJLFG-XDHOZWIPSA-N 369.381 3.858 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 19928107 WJHWTRDHDDQQQY-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB COc1ccc(/C=N\Nc2cc(C)nc(-c3ccccc3O)n2)c(OC)c1 4595778 KDXHDDOSBANVSS-MTJSOVHGSA-N 364.405 3.621 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C#N)C1 4088490 PMVPMAWTSPHZIM-MEDUHNTESA-N 354.431 3.523 30 40 FHEB C=CCOc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1 71260599 QPCYTHZPAUPCBO-UHFFFAOYSA-N 369.494 3.794 30 40 FHEB N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CCCCC2 719848 RTAUQPXZFDGBRY-UHFFFAOYSA-N 365.502 3.673 30 40 FHEB C/C(NC[C@@H](C)N/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 3984763 JZBTZADGBMEUIM-UJKBBHMPSA-N 370.537 3.592 30 40 FHEB biogenic C#CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408576538 XQFULOPDXJELFC-KRWDZBQOSA-N 350.374 3.597 30 40 FHEB C[C@@H](NCC(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 14188690 XEZVWZQOIDRMNY-GFCCVEGCSA-N 358.239 3.610 30 40 FHEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCCC)n3)cc21 19820203 ZZBUMRMIMATDGA-UHFFFAOYSA-N 371.462 3.850 30 40 FHEB C=C[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 95965023 NRBMRYAZNDYXLT-AUUYWEPGSA-N 368.864 3.598 30 40 FHEB C=CCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OCC 408855927 OUUZSKOXWZCBPO-CJGMICOPSA-N 360.479 3.962 30 40 FHEB COc1cc(C(=O)/C=C2\C(=O)Nc3c(Cl)cccc32)cc(OC)c1OC 32073320 HOJCDDWHLNMIOA-XFXZXTDPSA-N 373.792 3.584 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](C)CC1=O)N2 19959559 TULCBCLLYLIKHY-HWPZZCPQSA-N 358.442 3.797 30 40 FHEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1 6275786 YEFLLSSIMGMNSI-DJKKODMXSA-N 361.854 3.938 30 40 FHEB COc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1 917564 DPIQNLQVBXACBC-SUMWQHHRSA-N 369.490 3.902 30 40 FHEB C#C[C@@]1(O)C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@@H](C)O)[C@]21C 4802071 RZPXETGGKJXNQJ-HPJYJNIVSA-N 358.522 3.569 30 40 FHEB C=CCOC(=O)c1cnc2nc(SCc3cccc(Cl)c3)nn2c1C 9926680 JEEORTPTCDNLBN-UHFFFAOYSA-N 374.853 3.721 30 40 FHEB C[C@H]1Cc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 24678489 LEENUWDLILAWHQ-WMLDXEAASA-N 354.413 3.675 30 40 FHEB CC(=C1C(=O)c2ccccc2C1=O)N1CCN(C/C=C/c2ccccc2)CC1 2207440 YMYJGJWXEKRWHJ-JXMROGBWSA-N 372.468 3.671 30 40 FHEB CCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 8396861 UGPCEBSNSCYUST-ZDUSSCGKSA-N 366.531 3.674 30 40 FHEB Cc1ccc2c(c1NC(=O)c1ccc(C#N)cc1)C(=O)c1ccccc1C2=O 5504843 OWSNIRKPRQHSEH-UHFFFAOYSA-N 366.376 3.894 30 40 FHEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 8881692 KOHDQTAMMSYKMZ-UHFFFAOYSA-N 366.421 3.951 30 40 FHEB CC#CC[C@H](C)[C@H](O)/C=C\[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 299888388 HIFJCPQKFCZDDL-RIUPQNSPSA-N 360.494 3.541 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)OC1(C)C 1776000181 KQBRXGKZJAMMAS-UHFFFAOYSA-N 366.270 3.501 30 40 FHEB O=C(C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O)c1ccc(Cl)cc1 16805927 GNCRRARWWCMVAQ-YODDIOPGSA-N 371.849 3.535 30 40 FHEB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(C#N)cc1 3262404 BOAWJUDXWICERB-IBGZPJMESA-N 366.417 3.552 30 40 FHEB Cc1cc(C)c(C#N)c(N2CCC(COc3ccncc3Cl)CC2)n1 1889108827 ARIJCVVPHXRTBD-UHFFFAOYSA-N 356.857 3.914 30 40 FHEB N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1 2419146 PZRCZOPITMIRAL-UHFFFAOYSA-N 354.797 3.786 30 40 FHEB aggregator Cc1cc(N(C)/N=C/c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2O)n1 4713186 SVXNGJNYKCSGHB-UDWIEESQSA-N 363.377 3.536 30 40 FHEB C/C(=C\c1ccccc1)[C@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 4837014 SLMBFNKRZZTIAJ-KSVXFIOZSA-N 372.428 3.926 30 40 FHEB CN1C(=O)/C(=C/c2ccnc3ccccc23)S/C1=N\c1nccs1 54360867 PELQQDDUZBZXPY-DZIIMNARSA-N 352.444 3.925 30 40 FHEB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(C)C1=O 409311060 DWIBKFXYVRXBRJ-XYOKQWHBSA-N 354.225 3.680 30 40 FHEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@@H](O)[C@@]12F 118933046 ZVKKSLFHXTYQQE-CTJFICDBSA-N 350.474 3.578 30 40 FHEB Cc1ccccc1C[C@@H]1SC(N/N=C/c2ccc(Cl)cc2)=NC1=O 6504711 STHIIXWUORFXAC-YODDIOPGSA-N 357.866 3.813 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Br)NC(=O)N1 5783743 CQOAJRRMJHNRCC-INIZCTEOSA-N 371.234 3.960 30 40 FHEB COC1=CC=C/C(=C/C=C2/Oc3c(cccc3OC)C=C2C(C)=O)C1=O 409415757 PRBANZHYULZLLJ-AIXGLBGOSA-N 350.370 3.540 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CC=C)c1 408706437 SRPXRYBHWNCXQC-UHFFFAOYSA-N 350.418 3.592 30 40 FHEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(C)cc1 224697232 IYCBCPCKMNSZFQ-UHFFFAOYSA-N 373.474 3.861 30 40 FHEB N#CCC(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225257408 JJAFKPOHKFVMAB-MHWRWJLKSA-N 356.476 3.543 30 40 FHEB Cc1onc(CC(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1C#N 611529192 ZESCASQPXXLOCV-UHFFFAOYSA-N 359.376 3.651 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 40128408 TXPHSYCLOMCDKJ-AWEZNQCLSA-N 374.366 3.827 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncnc2sc(C)c(C)c12 6685270 ALCGTIFQNHCPGS-ODCIPOBUSA-N 372.450 3.780 30 40 FHEB CSc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 24260156 UBQKPAGPGJPPMU-UHFFFAOYSA-N 352.463 3.530 30 40 FHEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccccc1 4537240 KZIVHEADLFJBOP-JVDGOSLMSA-N 363.442 3.546 30 40 FHEB COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(C)C1=O)OCO2 409091897 VNXKLLDLEPKVTC-LIVKFUFGSA-N 368.414 3.658 30 40 FHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409305137 LVURAJNSQWHIHV-UHFFFAOYSA-N 371.238 3.560 30 40 FHEB CCCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 35526557 WNLIJIGWFJRZCL-WQRHYEAKSA-N 374.353 3.746 30 40 FHEB N#CCSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 71327644 TYOBTYCFRVRHLL-UHFFFAOYSA-N 361.879 3.970 30 40 FHEB C=CCCCC(=O)N[C@H](C)C1CCN(C(=O)c2cc(F)ccc2C)CC1 1775989901 AFWKAUIZIRETBD-MRXNPFEDSA-N 360.473 3.847 30 40 FHEB C=CCOc1c(Br)cc(/C=C/C(=O)O)cc1Br 6293482 FYSPIHYOMFOJNQ-ONEGZZNKSA-N 362.017 3.874 30 40 FHEB O=C(NC1CCCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2147485 DSXFWEWRTUHFOG-LLVKDONJSA-N 373.215 3.630 30 40 FHEB N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 3076019 QLPYUALIKXSSMU-UHFFFAOYSA-N 372.362 3.567 30 40 FHEB CC[C@H](C)Oc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409406635 KOXCVGPMPRHZBR-HHDFAXHISA-N 372.852 3.658 30 40 FHEB C=CCn1cnn(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S 8184819 ANTBWESJBAUSKQ-UHFFFAOYSA-N 354.479 3.851 30 40 FHEB N#Cc1c(-c2ccco2)nc2n(c1=O)CN(c1cccc(Cl)c1)CS2 13724213 YWLJJMXDPYJMJX-UHFFFAOYSA-N 370.821 3.556 30 40 FHEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1C 408804238 DPDJOLOGWSIYKW-SGMQAHBGSA-N 366.461 3.728 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768053 SERVFGHFIQAAJF-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CCc1nc(C#N)c(NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)o1 96346418 QVHSYBZSKMQGDZ-LJQANCHMSA-N 368.481 3.717 30 40 FHEB N#Cc1nc([C@@H]2C[C@@H]2c2ccc(F)cc2)oc1NCCCn1ccnc1 1775976016 NRJYHPZVVUIFHK-HZPDHXFCSA-N 351.385 3.655 30 40 FHEB N#Cc1ncccc1N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776001151 BGOOESIXIVSVAZ-ZDUSSCGKSA-N 362.355 3.662 30 40 FHEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccnc1 1183803 MXZDWHJOWZQQHS-LSCVHKIXSA-N 350.234 3.818 30 40 FHEB CN(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 5722233 UILSIXHPMXONEE-BMJUYKDLSA-N 374.484 3.517 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 13595967 LNPXOWKEEQTJHE-MYAASBOSSA-N 367.474 3.858 30 40 FHEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 19959694 GFBHDWRSJFRKMY-ZUOKHONESA-N 365.481 3.701 30 40 FHEB CC(C)=CCC/C(C)=C/C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1595832 XOFCQWUDZDGHDR-DMAJYYCCSA-N 351.428 3.552 30 40 FHEB Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)c1 7056643 BCAUMGFBHBYHIH-LJQANCHMSA-N 356.495 3.636 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 784849 DVMLZJLDOAKVKW-UHFFFAOYSA-N 354.406 3.697 30 40 FHEB CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6960796 YOQONMWIJWFQIA-JMIUGGIZSA-N 362.813 3.873 30 40 FHEB C=CCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ncccn1 20719927 SLJWGISPWAQIPC-OAHLLOKOSA-N 361.405 3.659 30 40 FHEB COc1ccccc1C(=O)/C=C1\C(=O)Nc2ccc(Br)cc21 32646581 SBXLGPCLGOZQSE-LCYFTJDESA-N 358.191 3.676 30 40 FHEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccccc1 726934 LBTFJRVESKIMRG-AWQFTUOYSA-N 367.206 3.523 30 40 FHEB CN1/C(=C\C(=O)COC(=O)Cc2ccccc2F)C(C)(C)c2ccccc21 18066143 DMWNXAXKLXQETC-MOSHPQCFSA-N 367.420 3.792 30 40 FHEB C[C@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 12871962 HOZOLXLZYLTADS-KGLIPLIRSA-N 368.506 3.561 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)c(Cl)c4)CC3=O)[nH]c2c1 5182852 LVLJUDPJFKRODQ-UHFFFAOYSA-N 373.243 3.895 30 40 FHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 5124053 SPSBSBSUQXNRJA-OVBDPADQSA-N 367.474 3.558 30 40 FHEB Cc1nc2ccccc2nc1COC(=O)c1c(C)oc(-n2cccc2)c1C#N 39978722 JSUVXVXJMIHWHC-UHFFFAOYSA-N 372.384 3.859 30 40 FHEB O=C(NOC(=O)c1cc(Br)ccc1Cl)c1cccs1 4949222 PRNCUYJIZCTFHC-UHFFFAOYSA-N 360.616 3.666 30 40 FHEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1 408594972 VDFXANQRELNXCV-CIAFOILYSA-N 350.378 3.948 30 40 FHEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O 409335038 XJHSHXIKKSXDNW-WQLSENKSSA-N 370.293 3.845 30 40 FHEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39743904 AOGQHYXORKBTEX-UHFFFAOYSA-N 351.425 3.742 30 40 FHEB Cc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 408691996 AVWCUQUOGIQTCT-RMKNXTFCSA-N 352.390 3.636 30 40 FHEB C#CCOc1ccc(Br)cc1CNc1cccc(C(=O)O)c1 315675962 QWUASMCORDMZBF-UHFFFAOYSA-N 360.207 3.771 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218342281 CBSWNRDHHHGICS-SJORKVTESA-N 356.834 3.622 30 40 FHEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1cccc(C(=O)O)c1 210585316 LZGMOZWHPZDNQS-IXMFVRRYSA-N 368.414 3.714 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C 5862813 MXXMYTZCDRTAOZ-UHFFFAOYSA-N 356.451 3.654 30 40 FHEB COc1cccc(-c2nnc(SCCCC#N)n2Cc2ccco2)c1 5877876 IIWDTCIFCYBVPP-UHFFFAOYSA-N 354.435 3.991 30 40 FHEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5245793 YXWSFIGAPDDQRB-HRAATJIYSA-N 372.428 3.702 30 40 FHEB CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc2o1 32097510 ZMMPZWNXDAXINX-UHFFFAOYSA-N 355.419 3.798 30 40 FHEB CSc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 32825626 VETGKDLNAJNSBT-UHFFFAOYSA-N 366.895 3.754 30 40 FHEB O=C1C(O)=C(CC=C(Br)Br)C(=O)c2ccccc21 104106818 FQHNCUDPPQSZKN-UHFFFAOYSA-N 372.012 3.899 30 40 FHEB CC/N=C(/S)N/N=C/c1ccc(OCCOc2ccccc2C)cc1 8653738 IVIVPEGOSRUGDT-KGENOOAVSA-N 357.479 3.682 30 40 FHEB CCCCCCCCCCSCCOCCOCCOCCO 59740567 YXIPVWIPVBDBDG-UHFFFAOYSA-N 350.565 3.902 30 40 FHEB CC(=O)Oc1ccc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 708797 WUOJTLTXOANKDV-YVLHZVERSA-N 362.337 3.643 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CCc4ccccn4)[C@H]3C[C@H]12 12661646 SFTDMSJFDWODLH-AIDNLNPPSA-N 368.521 3.870 30 40 FHEB biogenic COc1ccccc1CN/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20761736 IBMIHXCAODPSQN-FYJGNVAPSA-N 351.362 3.987 30 40 FHEB CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1 5451929 KIFIQDXJONLFAS-QGZVFWFLSA-N 374.444 3.588 30 40 FHEB CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C#N)c1C 5870418 RJCSBJOFSOFZGM-UHFFFAOYSA-N 373.390 3.574 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 19314802 HUXPABBBZWQTPV-QGZVFWFLSA-N 370.405 3.516 30 40 FHEB N#Cc1c(-c2cc(Cl)ccc2O)c(C#N)c2nc3ccccc3n2c1N 408720591 WEASQWZUYUQXDO-UHFFFAOYSA-N 359.776 3.839 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(C)(=O)=O 33744036 AMUDOFNKNXYEJU-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)SC1=S 211403023 WVKOAVZPYOSPOZ-XYOKQWHBSA-N 355.868 3.832 30 40 FHEB N#CC1(C(=O)N2Cc3cc(Oc4cccnc4)ccc3[C@@H]2c2cnco2)CC1 96087074 QTXVDWADSSPFKM-LJQANCHMSA-N 372.384 3.597 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccccc1F 19959848 KIMOVLZXKQUHGS-CLAHSXSESA-N 366.318 3.704 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)S\C2=C2/C(=O)Nc3ccccc32)cc1 12338798 IQMBEXHFGFDTMD-NXVVXOECSA-N 365.414 3.935 30 40 FHEB Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6914495 ZWJYWPGNXFGRSS-LBPRGKRZSA-N 368.458 3.849 30 40 FHEB N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC=CCC3)s2)cc1 12798785 TUXXLFZNGYMUCT-CQSZACIVSA-N 356.476 3.997 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C(=O)O)c3ccccc3)c2C#N)C1 13255071 SBGIFQHBXFKOGP-IUODEOHRSA-N 368.458 3.942 30 40 FHEB C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc2c(c1)OCCCO2 8775523 SBERTEQFCOHKTJ-UHFFFAOYSA-N 369.417 3.603 30 40 FHEB CCc1ccc2c(c1)/C(=N/Nc1cccc(C)c1)C(=O)N2C1CSC1 223724811 YNNPIYARQQJSLI-QOCHGBHMSA-N 351.475 3.836 30 40 FHEB C=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 2629901 YVYPQEQPSCAECC-UHFFFAOYSA-N 357.460 3.987 30 40 FHEB N#C/N=C(/N)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 12376942 WMKWAZROBCDPAK-UHFFFAOYSA-N 361.352 3.569 30 40 FHEB COc1ccccc1NC(=O)C1CCN(Cc2cc(C#N)ccc2F)CC1 29908562 GMGXPEJPOAPGPE-UHFFFAOYSA-N 367.424 3.557 30 40 FHEB CCCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C 53292337 WEUWPSLBXMXZPZ-UHFFFAOYSA-N 366.531 3.676 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CCc4ccccn4)[C@H]3C[C@@H]12 35361868 SFTDMSJFDWODLH-DLBZZEGUSA-N 368.521 3.870 30 40 FHEB biogenic C[C@@H]1CCCCN1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 57993100 NLQVPRJQLCSIHJ-QGZVFWFLSA-N 354.498 3.506 30 40 FHEB Cc1cc(C)cc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c1 4663185 RSLSKIPBKTZRGA-WSDLNYQXSA-N 366.490 3.504 30 40 FHEB Cc1nc(SCC(=O)Nc2ccnn2C2CCCC2)c(C#N)c(C)c1C 7058578 VUJODSXIDUXHQB-UHFFFAOYSA-N 369.494 3.921 30 40 FHEB Cc1ccccc1C(=O)NC1CCN(c2c(Cl)cccc2C#N)CC1 301211403 VKAIEEPPSGJOFX-UHFFFAOYSA-N 353.853 3.919 30 40 FHEB C=CCOc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)cc1 75092328 IRUISYRYFVZDAX-UHFFFAOYSA-N 352.478 3.820 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1ccccc1F 223675070 SDVATBWDYLBLEP-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB C(=N/N1CCOCC1)\c1sc(N2CCCCC2)nc1-c1cccs1 8084110 RMTXBRPTYFEJOH-QGOAFFKASA-N 362.524 3.528 30 40 FHEB C[C@@H]1CC[C@H]2[C@@H](CN3CCCC(C)(C)C3)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 12897614 ZOZKVDKCXFLHAQ-SSDRTJPVSA-N 361.526 3.634 30 40 FHEB biogenic N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 16449165 WCGINUGAABWOLR-UHFFFAOYSA-N 360.244 3.827 30 40 FHEB COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 780225 VLPMQYNEFKJSQD-UHFFFAOYSA-N 367.445 3.747 30 40 FHEB N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4020191 SXMURYUIKQGWGU-LOHFZDIYSA-N 356.381 3.662 30 40 FHEB CCOC(=O)/C(=N/Nc1ccccc1)C(=O)CSc1ccc(C)cc1 100500715 SDCDNSSJCZCVJK-DYTRJAOYSA-N 356.447 3.687 30 40 FHEB CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 22347946 RZNWJPOSFMRPRQ-SDNWHVSQSA-N 367.445 3.837 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3ccco3)c2)c1 58026749 MXIQAGZAWCJGCT-UHFFFAOYSA-N 374.396 3.788 30 40 FHEB Cc1cc(C)c2nc(NCCNC(=O)NC3CCCCC3)c(C#N)cc2c1 20150326 DPEACZWHMRJABG-UHFFFAOYSA-N 365.481 3.767 30 40 FHEB COc1ccc2[nH]cc(/C=C3/S/C(=N\c4nccs4)N(C)C3=O)c2c1 13689610 NXVSCZLSZUVHEA-QCMJLRSOSA-N 370.459 3.867 30 40 FHEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(Br)c1O 5163136 UNHMMBUISAUCMB-LZYBPNLTSA-N 366.171 3.518 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)cc(Br)c2O)nc1 408749433 GTSGKAIMDVNQHU-BNCCVWRVSA-N 371.578 3.557 30 40 FHEB O/C(=N\c1nnc(CCN2CCCCC2)s1)c1ccccc1Cl 49625144 HJTFDKCUVSKTFT-UHFFFAOYSA-N 350.875 3.856 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225774931 GOFHCFQAEABUBP-UHFFFAOYSA-N 368.408 3.783 30 40 FHEB C[C@@H]1C[C@H]1CN(CCCCN(C)c1ccncc1C#N)c1ccncc1C#N 599154680 JOSPNPWXLCRMLQ-MSOLQXFVSA-N 374.492 3.599 30 40 FHEB CSc1ncc(C(=O)N(C)c2cccc(C#N)c2)n1-c1ccc(F)cc1 63325382 RWUKYROKXKPOPO-UHFFFAOYSA-N 366.421 3.882 30 40 FHEB CC(C)(C)OC(=O)N1[C@H](C2CCNCC2)CC[C@@H]1Cc1cccc(C#N)c1 1537961486 BNZXXDTVQKDPJC-UXHICEINSA-N 369.509 3.868 30 40 FHEB Cn1c(N/N=C/c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 7343451 DZMBEGPUXKBNEU-RQZCQDPDSA-N 374.198 3.690 30 40 FHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccccc1 4558124 PDZDPNXFQJHFGT-QGZVFWFLSA-N 373.449 3.642 30 40 FHEB Cc1ccc2c(c1)/C(=N/c1ccc(I)cc1)C(=O)N2 4697734 QPBSBEDZRLSDFE-UHFFFAOYSA-N 362.170 3.673 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nccs1 101013976 KBQLXYATGKQKLK-ZJQFFYPKSA-N 371.443 3.631 30 40 FHEB CC/N=C1/S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1CC 100492464 SUNJRYRQKVTSKW-NIPZQEADSA-N 370.430 3.957 30 40 FHEB Cc1ccc(-c2cn3ccccc3[n+]2CC(=O)c2cccc([N+](=O)[O-])c2)cc1 1806251 FLTBTKSGFZRRQN-UHFFFAOYSA-N 372.404 3.993 30 40 FHEB Cc1cc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)ccc1C(C)C 48532608 FLZHTQYWCGAIFC-AWEZNQCLSA-N 362.451 3.626 30 40 FHEB CO/N=C/Nc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 4041482 WCECCZMWIVSDSX-UHFFFAOYSA-N 360.377 3.585 30 40 FHEB CCOc1ccccc1/C=N/OCC(=O)N[C@@H]1CCCc2ccccc21 6000658 ASEUOEAXGVAYAV-VZMFNRANSA-N 352.434 3.630 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2 4646568 BJRKVCNTDTWVOA-UONOGXRCSA-N 358.463 3.884 30 40 FHEB COc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 6624132 ZLWCCOOVBTZPAR-SXGWCWSVSA-N 356.374 3.646 30 40 FHEB biogenic N#C[C@H](c1ccccc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95455184 PNWVKPITHAZIBA-HXUWFJFHSA-N 355.445 3.530 30 40 FHEB Cc1ccc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c(C#N)cc2c1 19221159 JPACTVRUJDYRHZ-UHFFFAOYSA-N 374.419 3.516 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 101247315 JSBWVMUJAILXKK-SELCWUDQSA-N 351.377 3.742 30 40 FHEB N#Cc1cnn(-c2ncnc3scc(-c4ccccc4Cl)c23)c1N 36646082 AFUBGAMGPDGRNA-UHFFFAOYSA-N 352.810 3.651 30 40 FHEB COc1ccc(-n2c(SCC#N)nnc2-c2ccccc2OC)cc1 2646942 RUBCBGIHYYQBLV-UHFFFAOYSA-N 352.419 3.567 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8494066 PYHGEDXWIBMUCI-INIZCTEOSA-N 352.434 3.625 30 40 FHEB COc1cc(/C=C/C(=O)Nc2sccc2C#N)ccc1OC(F)F 2661038 SVIZHLYQOXZOFD-HWKANZROSA-N 350.346 3.882 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCCOc2ccccc2C(C)=O)cc1 22195205 POSUZRODSIDFLM-HYARGMPZSA-N 354.406 3.667 30 40 FHEB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cn3)CC[C@]1(C)/C(=N/O)C2 100892061 NKLLQKRAJINUMX-WKVLGULQSA-N 366.259 3.829 30 40 FHEB COc1ccc(/C=N/OCC(=O)Nc2ccccc2C(F)(F)F)cc1 3171240 KGPOGVOCXZTLLP-UFFVCSGVSA-N 352.312 3.703 30 40 FHEB C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1O 408930955 FIIOPKGITPMRCM-PXLXIMEGSA-N 352.434 3.717 30 40 FHEB Cc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1 5024864 YTDGNRCPDYAMPJ-ZDWRFWLISA-N 352.415 3.927 30 40 FHEB Cc1ccc(/C(N)=N\OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 65522661 PGZIDXFMURVMKW-MRXNPFEDSA-N 361.445 3.663 30 40 FHEB CCCCOc1ccc(C(=O)NOC(=O)Nc2ccccc2)cc1OC 6590330 SZTGKKVILLLXHR-UHFFFAOYSA-N 358.394 3.768 30 40 FHEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(C)cc1 224696888 IEHFPZGCXRIDJL-UHFFFAOYSA-N 373.474 3.861 30 40 FHEB CC(C)c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 97993479 FTTGWMYBERLJHK-ZROIWOOFSA-N 371.414 3.772 30 40 FHEB CCOC[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515690 MUIJAPLNNCMAGK-PWRODBHTSA-N 369.486 3.735 30 40 FHEB Cc1noc(C)c1[C@@H](C)CN=c1[nH]c2c(c(C#N)c1C#N)CCCCCC2 619486570 DTHKDMXTEOIVTJ-ZDUSSCGKSA-N 363.465 3.726 30 40 FHEB CCN(CCC#N)c1ccc(CN[C@H](C)[C@@H](O)c2ccc(O)cc2)c(C)c1 12691717 ZFCFQLJCPKEUQI-VGOFRKELSA-N 367.493 3.652 30 40 FHEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(C(=O)O)cc1 16906113 PYISGGXTGOFQRO-NTEUORMPSA-N 358.806 3.930 30 40 FHEB COc1cc(C(=O)/C=C2/Sc3ccccc3N2C)cc(OC)c1OC 100287892 IDFFNPMULPXOJZ-WOJGMQOQSA-N 357.431 3.979 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccccc1C 4889148 HFQHTMUNHGXRQL-PJKUKWEASA-N 367.474 3.858 30 40 FHEB N#CCCn1cc(/C=C2\SC(=S)NC2=O)c(-c2cccc(Cl)c2)n1 9721237 HZXXTZKQYDAHAC-JYRVWZFOSA-N 374.878 3.606 30 40 FHEB CCC(=O)Nc1ccc(/N=C/c2ccc(I)o2)cc1 680954 UXIVTPIQVXUUPC-CXUHLZMHSA-N 368.174 3.983 30 40 FHEB CCCCCCCCCCCCS(=O)(=O)[C@H]1CCS(=O)(=O)C1 100838841 QQZOPRBQGGOUML-INIZCTEOSA-N 352.562 3.509 30 40 FHEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 12462814 YCVJINLTCYZHHM-QKDOTCOFSA-N 371.437 3.724 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(F)cc2)C1=O 82069832 KIUWNVLYLQMBED-FOWTUZBSSA-N 353.349 3.653 30 40 FHEB Cc1ccc(-c2n[nH]c(/N=C(\O)C3=NO[C@@H](c4ccccc4)C3)n2)s1 58228371 GHPFVNSLLPQZRO-CYBMUJFWSA-N 353.407 3.947 30 40 FHEB COc1cc(/C=C2/CC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 13119472 NZSRSKNDCCSSGY-VULZFCBJSA-N 352.386 3.945 30 40 FHEB biogenic Cc1nc2ccccc2nc1COC(=O)/C=C/c1ccc(OCC#N)cc1 39571675 QPEPSCGABDQZAN-DHZHZOJOSA-N 359.385 3.597 30 40 FHEB COc1ccc(-c2nnc([C@H]3CCN(Cc4cccc(C#N)c4)C3)o2)cc1 49170093 SRSQCBCFKDCBBW-SFHVURJKSA-N 360.417 3.606 30 40 FHEB biogenic,in-vitro COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 225265521 PZGZZKKYYRCKAC-AWEZNQCLSA-N 355.463 3.515 30 40 FHEB Cc1ccc(C)c(COc2nn(Cc3ccccc3F)c(N)c2C#N)c1 225841402 GITBCZPQRRFDEM-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2Cl)N=N1 1616033018 ZBLIYFYUECNNPW-CQSZACIVSA-N 368.220 3.591 30 40 FHEB CC(=O)Nc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2C)cc1 5164397 WVAZDCIUUIOTJA-VXLYETTFSA-N 360.870 3.927 30 40 FHEB C=CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5027098 APYRBZPQFYXHHI-NSHDSACASA-N 367.396 3.945 30 40 FHEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(C2SCCS2)cc1 16085663 WYUBEIUQKLQDEJ-UHFFFAOYSA-N 363.485 3.805 30 40 FHEB CCN(CC)c1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 19855731 FOFBMWWVADTGAM-HMMYKYKNSA-N 359.495 3.679 30 40 FHEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7333652 HOOPOKHZJSKZKB-YRNVUSSQSA-N 350.418 3.760 30 40 FHEB NC(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N\OC(=O)CCl 33376481 NBYDQZWYRNRXOT-UPHRSURJSA-N 374.668 3.792 30 40 FHEB [N-]=[N+]=Nc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1 108519110 XBPMGTYDTQYJGS-UHFFFAOYSA-N 357.801 3.801 30 40 FHEB COc1cccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c1O 12474885 GEZLGTDWJODBNX-UHFFFAOYSA-N 371.400 3.564 30 40 FHEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c1 12662616 ODRINHLXFDUGIN-GRSHGNNSSA-N 366.369 3.635 30 40 FHEB biogenic C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1cccc(Cl)c1 12974757 HJZGHDCDIQCUGY-GFCCVEGCSA-N 370.792 3.620 30 40 FHEB C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccc2c(c1)OCCO2 4868830 AMBMXEXDFSGCSI-KGENOOAVSA-N 355.463 3.785 30 40 FHEB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccccc2C)ccc1OCC#N 15686327 YGJFKBFGFKVMGW-SOGBHIHOSA-N 350.418 3.797 30 40 FHEB CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(OC)cc1 18101037 FNJGFKFQLSYJGP-NSMHLIOHSA-N 364.449 3.973 30 40 FHEB N#Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1Br 95081397 LWUHQIUUHFODQF-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB N#CCCSc1ccccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 95953567 INVPSLNQOZUHQW-AWEZNQCLSA-N 369.421 3.896 30 40 FHEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(Cl)cc1F 670416134 OVTAXZYUOCKKKY-JTQLQIEISA-N 365.817 3.727 30 40 FHEB O=C(/C=C/c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 4610464 HDMHSGCTVDZECL-VMPXIIMLSA-N 369.420 3.894 30 40 FHEB C[C@H]1C[C@@H](C)CN(/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 100902807 YTMXFXCIRZRDAL-QIMMGWNBSA-N 374.481 3.939 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)Nc1nonc1N2 12389094 TVHQTECTFYYQIP-DYZYQPBXSA-N 366.352 3.781 30 40 FHEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 2407361 VYCGKOZEHWTALK-UHFFFAOYSA-N 374.853 3.682 30 40 FHEB C=CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccoc1C 6105827 QEGLESHZAMQKQW-UHFFFAOYSA-N 351.435 3.973 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2CCOC)c1C 32893991 MKXDWOWVZSIPPA-UHFFFAOYSA-N 361.511 3.726 30 40 FHEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 32831769 ATJDAJWHLUPYLL-YCRREMRBSA-N 366.417 3.884 30 40 FHEB C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 33327318 YJCNQCXKQNPSSP-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB N#Cc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 22959502 URZVXYJBUWIWPK-UHFFFAOYSA-N 364.451 3.820 30 40 FHEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1F 106659406 BZLOEWQIGBCZGE-UKWGHVSLSA-N 366.776 3.703 30 40 FHEB CCN(C[C@@H]1CCOC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 56982637 ANXPZZZNWADQJE-KRWDZBQOSA-N 364.445 3.636 30 40 FHEB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C#N 3228073 BKKFLOQWHMWZQL-UHFFFAOYSA-N 372.808 3.551 30 40 FHEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2395547 OOVVWAAWJNIBMN-INIZCTEOSA-N 366.465 3.961 30 40 FHEB CS(=O)(=O)Nc1ccccc1C(=O)/C=C/c1ccc2ncccc2c1 69383011 BYVXUYYKJFMYLX-PKNBQFBNSA-N 352.415 3.502 30 40 FHEB C[C@]12C=C/C(=N\OCC(=O)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4029399 RLZYCYTZQGHRMD-AXPKERNXSA-N 373.493 3.933 30 40 FHEB C=CCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2ccccc21 4485602 VFKISODWMZNQCG-UHFFFAOYSA-N 369.465 3.812 30 40 FHEB N#CCCN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl 7891042 CANIFQVWLSYFDX-UHFFFAOYSA-N 353.205 3.908 30 40 FHEB C=CCNc1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12 7978875 UINASRDAJXQHHP-UHFFFAOYSA-N 374.510 3.760 30 40 FHEB Cc1cc(N[C@H](CO)Cc2ccccc2)n2c(nc3ccccc32)c1C#N 78495454 KFGYWVIUGOYVBL-KRWDZBQOSA-N 356.429 3.683 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 409184447 LHDICCBRFIDBDF-RGVLZGJSSA-N 356.378 3.984 30 40 FHEB C=CCSc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1OC 219810642 MYGJIFBDMBVYCL-UHFFFAOYSA-N 373.474 3.921 30 40 FHEB CCOC(=O)c1cc(CSc2nc(C(F)(F)F)cc(C)c2C#N)on1 32117740 UNXHKJAXUIHQGN-UHFFFAOYSA-N 371.340 3.738 30 40 FHEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccc(F)cc2)c1 225860378 APLCBCADWQRGLB-UHFFFAOYSA-N 362.408 3.619 30 40 FHEB CCOc1ccc(N(CCC#N)C(=O)[C@@H]2COc3cc(F)ccc3C2)cc1 599316006 ZFDQSBGAWLNKQA-INIZCTEOSA-N 368.408 3.722 30 40 FHEB O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1ccccc1C(F)(F)F 3233848 AVZLNLUOENBGCA-DJKKODMXSA-N 368.340 3.934 30 40 FHEB N#C[C@H]1C2=C(CCCC2)S[C@H]1NC(=O)c1cc2ccccc2oc1=O 4079225 NHNDVSRWNTYPBW-KBXCAEBGSA-N 352.415 3.564 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccccc1OC(F)F 7858450 OZMQZCBDCQYSND-NSHDSACASA-N 362.332 3.574 30 40 FHEB N#Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12 4075044 CGZAJOYLBMDQGV-UHFFFAOYSA-N 360.255 3.678 30 40 FHEB C[C@@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1(Cl)Cl 21143940 JCYKOBRSXKENGF-ZDUSSCGKSA-N 350.167 3.757 30 40 FHEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)ccc1OC 103504716 POPCJYQDDQCTCS-AWEZNQCLSA-N 372.808 3.708 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)o1 28233699 UXJUVPUECJJGDK-GOSISDBHSA-N 366.461 3.507 30 40 FHEB Cc1cnc2c(S(=O)(=O)/N=C(\O)COC3CCCCC3)cccc2c1 48565936 VVUVTKMEGARUKL-UHFFFAOYSA-N 362.451 3.538 30 40 FHEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 4028263 JQWISHUBSOEHDO-WPYKKVEZSA-N 370.513 3.564 30 40 FHEB biogenic Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 18077916 PTPNUYVYQOZKIP-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB NC(=O)[C@@]1(c2nc(-c3ccccc3)cs2)O[C@H]1c1ccccc1Cl 9419308 TUJHUBPSGVETML-YJBOKZPZSA-N 356.834 3.916 30 40 FHEB O=S(=O)(/N=C(\O)c1ccc(F)c(Br)c1)C1CCCCC1 76905297 AKKUCYJEIIXODU-UHFFFAOYSA-N 364.236 3.555 30 40 FHEB Cc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c(C#N)c1C 95350024 NLPRWTAEKVROJS-UHFFFAOYSA-N 362.476 3.671 30 40 FHEB N#Cc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 113830555 QPLQYVSUPAUOQO-OQLLNIDSSA-N 367.411 3.872 30 40 FHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218470388 XCRYNPIESBCHRL-UFYCRDLUSA-N 373.449 3.620 30 40 FHEB COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)Oc1ccccc1 1775954703 VMNVRESBVCVUSY-UHFFFAOYSA-N 369.226 3.605 30 40 FHEB CC1(C)OB([C@@H]2CCN(C(=O)c3cccc(OC(F)F)c3)C2)OC1(C)C 1776007573 MGXDDNADEXZTTH-CYBMUJFWSA-N 367.201 3.596 30 40 FHEB N#CC1(C#N)[C@H](c2cccc(F)c2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5066388 GVGVMAUFZVITNQ-XAMWDVODSA-N 364.380 3.725 30 40 FHEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)C1 20518056 CFUSTWQYPPFZOG-VIZFDEMNSA-N 364.445 3.881 30 40 FHEB COc1ccc(/N=C/c2ccc(Sc3nnc(C)[nH]3)c([N+](=O)[O-])c2)cc1 6588362 CEXCAZLHRZWIPU-VCHYOVAHSA-N 369.406 3.932 30 40 FHEB COc1ccc(CN/N=C/c2ccc(Br)s2)cc1OC 20196282 PEBMYKDUZMNQDV-RQZCQDPDSA-N 355.257 3.652 30 40 FHEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/N1CCOCC1 3431880 ALMYAQLONGDSCC-UFFVCSGVSA-N 372.778 3.519 30 40 FHEB C=CCc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)c(OC)c1 12976636 JVSYDICSJFMMAS-UHFFFAOYSA-N 355.434 3.533 30 40 FHEB CCC[C@@H]1CCNC/C1=N\Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 408723275 PUSRGUYMTHURRT-JOJWKMGHSA-N 359.474 3.763 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)o1 408748630 BHKBLWJYYJZMGJ-VXLYETTFSA-N 367.321 3.912 30 40 FHEB N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 40478296 ZZWTYDAUZRMWLL-UHFFFAOYSA-N 367.206 3.963 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@H](OC)[C@H](OC)C=C3)S2)cc1 256055483 IFLBYDHUEBHJIN-RESRRYNGSA-N 370.474 3.510 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 5633293 VTMBQXBMZVAOJR-LSDHHAIUSA-N 372.490 3.971 30 40 FHEB Nc1nc(N)c(/N=C/C=C\c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 17418872 VSLWSTSTUSVHGC-HRWFTLCUSA-N 360.377 3.632 30 40 FHEB N#CC1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 104062633 RZLQIZBMDRIXGQ-RCDYEMGKSA-N 365.315 3.873 30 40 FHEB C=CCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C 100765360 FDIASNFMGGCVPP-PMACEKPBSA-N 355.457 3.531 30 40 FHEB N#CC1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCC1 24436402 CYUVRIXZVYNZLJ-UHFFFAOYSA-N 352.394 3.624 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)cc1 408963393 BMMVQCZCUPZFMF-OQLLNIDSSA-N 355.375 3.500 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2ccncc2)sc2c1CCCCCC2 2316350 DBOVMGDEQOERPR-UHFFFAOYSA-N 370.503 3.801 30 40 FHEB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6046487 DFSCDWBDHULLMG-QGZVFWFLSA-N 356.809 3.859 30 40 FHEB CN1/C(=C\C(=O)COC(=O)Cc2cccs2)C(C)(C)c2ccccc21 18087205 RLCJNCUVHSEVSW-WQRHYEAKSA-N 355.459 3.714 30 40 FHEB O/C(=N\c1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060419 APEBFJTVYCDUII-JTQLQIEISA-N 374.807 3.650 30 40 FHEB CCSc1nncn1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 36611451 DQNWMOYWWNZHCU-SRZZPIQSSA-N 368.462 3.933 30 40 FHEB CCc1nc(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)O)n[nH]1 213403870 UDEJANQZKLJVTE-DHDCSXOGSA-N 366.402 3.717 30 40 FHEB C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 222856295 UPOWUZKYBPLLCO-GDNBJRDFSA-N 355.371 3.867 30 40 FHEB CC1(C)OB(c2cc(Br)c(Cl)c(F)c2F)OC1(C)C 642814530 KUASSSGHIPPODU-UHFFFAOYSA-N 353.399 3.680 30 40 FHEB CCCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 13125224 SKAIHRKSQHDYOZ-LJQANCHMSA-N 370.453 3.734 30 40 FHEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12 15223347 ZCXPEFFQDSPNJP-HNNXBMFYSA-N 374.396 3.661 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 7275645 JOYHJAJQWIKDBF-YVLHZVERSA-N 370.430 3.604 30 40 FHEB C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(Cl)c21 100909868 JCGOINRLLSGYPV-ZPHPHTNESA-N 371.805 3.639 30 40 FHEB N#Cc1cn(CC(=O)NCc2cccs2)c2ccc(Br)cc12 59109367 MJJXZJNXBHDTJW-UHFFFAOYSA-N 374.263 3.653 30 40 FHEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 102233810 LMIIDBUTDNKZTA-NQERCMRGSA-N 370.474 3.740 30 40 FHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n([C@H](C)c3ccccc3)c2)c1 3292132 NSZNMFRBXOKLGO-OAHLLOKOSA-N 358.397 3.574 30 40 FHEB CN(C)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 12609897 FCLNGWDAEHGENV-BJMVGYQFSA-N 354.425 3.624 30 40 FHEB CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 12609491 GIGMSMLHHWUAPQ-BJMVGYQFSA-N 355.409 3.957 30 40 FHEB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C#N)c(C)c1C 5089247 KGCIZGKJDSZRNS-ZDUSSCGKSA-N 369.446 3.727 30 40 FHEB COc1cc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc(OC)c1OC 4702722 QRJJIWXGOHYPMA-QGZVFWFLSA-N 364.401 3.732 30 40 FHEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nccs3)c(=O)oc2c1 6760506 DCDXAGZQIZSJRW-UHFFFAOYSA-N 370.430 3.694 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2OC)cc1 5959535 CXZCEZBYFKDYLM-XDHOZWIPSA-N 354.435 3.897 30 40 FHEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 19315071 INJIMHDRRDUDFB-LJQANCHMSA-N 355.434 3.615 30 40 FHEB C=C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 95965021 NRBMRYAZNDYXLT-KUHUBIRLSA-N 368.864 3.598 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccco3)nn1[C@@H]2c1cccnc1 28629134 GBJQGWBOXOVAJG-QGZVFWFLSA-N 361.405 3.591 30 40 FHEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1 96483361 VFVGAAUBALUVQQ-BOPFTXTBSA-N 354.431 3.855 30 40 FHEB O=c1[nH]nc(-c2ccccc2)nc1/C(=N\Nc1ccccc1)c1ccccc1 5386403 GOSWXUCBTVTDBL-PLRJNAJWSA-N 367.412 3.696 30 40 FHEB N=C(Nc1nccs1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 3149866 UPFHGWQBEHQCPC-MRVPVSSYSA-N 373.200 3.727 30 40 FHEB Sc1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59678551 NIDPPCLMBNMOAP-LICLKQGHSA-N 367.268 3.918 30 40 FHEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 23295504 BTBLGZYXLRRRRS-SECBINFHSA-N 357.266 3.890 30 40 FHEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 4460944 WKPPEZGMWARDKV-BWORXHKJSA-N 371.437 3.806 30 40 FHEB C=CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 4485621 IZOFFFDUSUTQDW-UHFFFAOYSA-N 366.442 3.969 30 40 FHEB N#Cc1ccc(CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 14139096 QZTPLHXYXXLBAM-UHFFFAOYSA-N 370.437 3.945 30 40 FHEB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 14168866 CYOGTMYDSCHDTH-UHFFFAOYSA-N 350.403 3.728 30 40 FHEB CC[C@@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O 17991913 CTTKTCKPTWQXNK-RUNIHZNKSA-N 374.487 3.725 30 40 FHEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 8991245 WDVVEQUQXKTLLT-GRSHGNNSSA-N 352.386 3.942 30 40 FHEB biogenic C[C@@H](c1ccccc1)S(=O)(=O)/N=C(\O)C[C@H]1OCCc2ccccc21 77881233 GUQIYKFOIJLLKV-KBXCAEBGSA-N 359.447 3.738 30 40 FHEB C=CCOc1cccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OCC)c1 408768015 HPJQPEJPCWJJDM-UYRXBGFRSA-N 369.461 3.970 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3C)OCO4)S2)cc1 408991279 QBAGKYPIPZXTLY-MFOYZWKCSA-N 352.415 3.924 30 40 FHEB Cc1cc(N2CCOCC2)ccc1/C=N\Nc1ccc(C(F)(F)F)cn1 409064330 DBURHJMOPBNPIW-KSEXSDGBSA-N 364.371 3.691 30 40 FHEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 118921353 ZSAMZEYLGUEVJW-NULLKMHESA-N 360.881 3.957 30 40 FHEB COC(=O)c1cn(CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc12 19295224 QNHVLCZRVLEFNW-UHFFFAOYSA-N 367.430 3.617 30 40 FHEB N#CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 8238746 WDSPDYCJEYYAKD-LFIBNONCSA-N 353.378 3.620 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 8959579 GUNWHQPDAMAPIZ-UHFFFAOYSA-N 356.447 3.938 30 40 FHEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408577245 YVHPYDRFNRDBBB-GOSISDBHSA-N 364.401 3.987 30 40 FHEB CCCCCn1c(O)c(C(=O)c2ccc(Cl)cc2)c(C)c(C#N)c1=O 16806492 IXMAHCOSALSDLK-UHFFFAOYSA-N 358.825 3.809 30 40 FHEB N#Cc1c(N)n[nH]c1CCCCCNCc1ccc(Cl)c(Cl)c1 6909131 LNVGXQAYFGOZAT-UHFFFAOYSA-N 352.269 3.673 30 40 FHEB C[C@@H](OC(=O)CC[C@H]1CCCO1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862126 YADRXVKJWWQTAI-UMFSFKPQSA-N 371.477 3.758 30 40 FHEB COC(=O)/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 118926196 ZRBBCVQLZFVRCK-FLMHVLNXSA-N 354.446 3.573 30 40 FHEB N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 28231382 VVYOQSZDXPRAON-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB CCc1nc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)sc1C 529004972 VVHRKOHASXEWPR-UHFFFAOYSA-N 370.478 3.713 30 40 FHEB O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccc(OC(F)F)cc1 7760907 JHGVNXRNFPQOBT-UHFFFAOYSA-O 355.364 3.881 30 40 FHEB C/C(=N\Nc1ccccc1)[C@]1(C)N(O)C(C)(C)C(c2cccs2)=[N+]1[O-] 7787399 MRPHNIDGGABMBU-DYGKOUCMSA-N 358.467 3.735 30 40 FHEB C(=N\N1CCN(/N=C/c2c[nH]c3ccccc23)CC1)\c1c[nH]c2ccccc12 8649337 VWTPHODQPDVOBG-WFOJNGAISA-N 370.460 3.635 30 40 FHEB Cn1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 26015557 VENYXLORJVRWTF-CYBMUJFWSA-N 354.460 3.512 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C#N)O[C@H](C)C2 12564483 TYPJKPDEERSABD-ZIAGYGMSSA-N 365.433 3.719 30 40 FHEB O/C(CCc1ncc(-c2ccccc2)o1)=N\c1nc(C(F)(F)F)n[nH]1 12974020 CWPGJEXRGVEZRB-UHFFFAOYSA-N 351.288 3.699 30 40 FHEB CC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269493 BVWIZCNPWOUSHY-ZDUSSCGKSA-N 352.463 3.674 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5787741 UFXGNGNGUXJBPY-MRXNPFEDSA-N 371.780 3.759 30 40 FHEB N#Cc1c(CCCNc2nc(-c3ccccc3)nc3ccccc23)n[nH]c1N 15517510 YLLCVJDFPWYZJP-UHFFFAOYSA-N 369.432 3.518 30 40 FHEB N#Cc1cccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 16422329 PNLNNWCLFUTFHJ-UHFFFAOYSA-N 360.383 3.684 30 40 FHEB CCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1 97036755 NLFRJNDRNJYRCY-UHFFFAOYSA-N 354.429 3.861 30 40 FHEB Cc1sc(NC(=O)CSc2nc(O)c3ccccc3n2)c(C#N)c1C 409179291 QLRPFGBGTBYRIL-UHFFFAOYSA-N 370.459 3.616 30 40 FHEB O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCOCC3)c(F)c2)ccc1Cl 409127768 RIUSNCULUCFUJI-RGVLZGJSSA-N 363.776 3.975 30 40 FHEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409260730 VLGWXZDVRTXZEK-UKWGHVSLSA-N 362.813 3.791 30 40 FHEB COc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1Cl 409013037 MAMBOSZMCLLQLV-JZOCJUILSA-N 363.797 3.960 30 40 FHEB CCOc1ccc(/C=N/c2cccnc2)cc1I 408904436 JKRNLEMIFXYXHL-RQZCQDPDSA-N 352.175 3.836 30 40 FHEB N#Cc1ccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32609654 KHUGJVVAAXSHKZ-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224857922 JCWUBQNZKBHLJM-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB CC(=O)Nc1ccc(C#CC2(NC(=O)[C@H]3CC=CCC3)CCCCC2)cn1 12144123 QAPMGSPGXCEVDK-IBGZPJMESA-N 365.477 3.567 30 40 FHEB O=C1/C(=C/c2ccc(Br)cc2)N[C@H](S)N1c1ccccc1 22079911 DIHVTMPCKXRCNE-DNXIFWLFSA-N 361.264 3.640 30 40 FHEB COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 1189959 AFDKAGABVFBRLL-KGENOOAVSA-N 359.857 3.513 30 40 FHEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 3999057 OUCQPFCLFGZBQQ-PCCBWWKXSA-N 353.418 3.678 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 32505037 LJOXWLAVRXPDCX-OAHLLOKOSA-N 361.850 3.698 30 40 FHEB CC(C)(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 695291 FUBAAOAMNOJJRG-XDHOZWIPSA-N 350.871 3.950 30 40 FHEB O=C1Nc2cc(SCc3ccccc3)ccc2/C1=N/Nc1cnccn1 43955697 CEVTUAMEFHNEFQ-UHFFFAOYSA-N 361.430 3.537 30 40 FHEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926591 JMYVEDXVIHUVFC-SLPWJLCXSA-N 357.538 3.898 30 40 FHEB N#Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 26676305 WHHCTCFWCHJUJD-UHFFFAOYSA-N 367.206 3.963 30 40 FHEB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(C#N)cc1 14122480 FNVAGAKKVPJVGA-CYBMUJFWSA-N 350.447 3.799 30 40 FHEB Cc1ccc(/C(Cl)=C(\C=N\N)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 96336793 DFESXYXKOWTYIX-DLCJZXKTSA-N 365.780 3.698 30 40 FHEB N#Cc1cc(Br)ccc1NCCOc1ccc2c(c1)OCO2 95398714 OPDXAZLTUUPHHY-UHFFFAOYSA-N 361.195 3.540 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 32107458 DLURJPMDGSFIIF-PNPWQCGRSA-N 374.521 3.663 30 40 FHEB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895397 NURNUALDLDBKNZ-PCCBWWKXSA-N 357.388 3.942 30 40 FHEB C=CCn1c(SCCOc2cccc(C#N)c2)nc2sccc2c1=O 48356037 PJIOGOBPNSMGBV-UHFFFAOYSA-N 369.471 3.687 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775108 DHJGCPRPZKTSAK-UHFFFAOYSA-N 368.408 3.783 30 40 FHEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 8037790 MCSHZTAGMQDSJV-UHFFFAOYSA-N 352.434 3.525 30 40 FHEB N#C[C@H](C(=O)/C(=N\N)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104285976 WZZDCVFKWCYXCM-WPXJSCNMSA-N 371.227 3.792 30 40 FHEB COc1ccccc1/N=C1\SCCCN1C(=O)c1ccc(C#N)cc1 12550943 GLCGWOKWPIVUMW-VZCXRCSSSA-N 351.431 3.834 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1C1CC1 12685767 VRBLNBMWVQMYBM-QGZVFWFLSA-N 368.506 3.627 30 40 FHEB Cc1nc(SCC(=O)N[C@](C)(C#N)C2CC2)n(C2CCCCC2)c1C 10870883 NCNYHJVWOSIRMV-LJQANCHMSA-N 360.527 3.906 30 40 FHEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1 3563090 SXRAEHYAICIIJA-WBVHZDCISA-N 370.522 3.918 30 40 FHEB Cc1nc(S[C@@H](C)C(=O)N2CCc3ccccc32)c(C#N)c(C)c1C 5172514 LTEYOGAKMTZFOL-HNNXBMFYSA-N 351.475 3.948 30 40 FHEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1Br 14425988 LRWMWKKWMGXOQZ-LBPRGKRZSA-N 359.223 3.577 30 40 FHEB N/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 5604528 PQNPQPSNADPHMJ-UHFFFAOYSA-N 361.357 3.739 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OP(=O)(O)O 118918376 NWJXKHVJFGAOMY-KZYORJDKSA-N 368.410 3.996 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc4c(cc3C)OCO4)C2=O)s1 137628364 NFAHMHWMCPTYMJ-NLSWNUPLSA-N 373.459 3.555 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1 2341344 PPEZDBPTJBHWJX-KFNXNMOMSA-N 353.447 3.549 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 12032557 NNLWLWZBHVRHBF-WJDWOHSUSA-N 369.402 3.885 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 12219319 PYWSSPWHKQFDSS-TYABSZSSSA-N 365.448 3.852 30 40 FHEB N#Cc1ccncc1N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1888853337 GVQWVRQOZDUURT-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1 20403680 FRJXPWPBVAWXKI-UHFFFAOYSA-N 355.401 3.858 30 40 FHEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2csc3c2CCCC3)c1C#N 2772181 HJRUWWVZTVJQCW-UHFFFAOYSA-N 373.503 3.823 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)NC2(c3ccccc3)CCC2)n1 53287977 ZQPFCJMWZLGGDY-UHFFFAOYSA-N 351.475 3.858 30 40 FHEB CCOC(=O)COc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 659068 LXLLFUSCQNRNLZ-UHFFFAOYSA-N 350.296 3.581 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1 950986 JSDOIEUVUDPTFA-OAHLLOKOSA-N 373.254 3.699 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1C 3298655 GEOVLRSLMHSWTF-INIZCTEOSA-N 371.849 3.939 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1cc3c(cc1N2)OCO3 18196721 IBGKJJIBRYRAPT-LJQANCHMSA-N 364.357 3.888 30 40 FHEB Cc1cccc(COc2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)c1 84210725 XWPJTMQYLAMMIP-HXUWFJFHSA-N 352.459 3.703 30 40 FHEB O=S(=O)(/N=C(\O)[C@H]1CCCc2ccccc21)c1ccc2c(c1)CCC2 48612616 UZGFPGVBWCVTBR-IBGZPJMESA-N 355.459 3.941 30 40 FHEB COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 13655790 RPRLTBCTIQEUEM-YZFGBBDKSA-N 351.402 3.635 30 40 FHEB C=C(COC(=O)C(C)C)[C@@H]1Oc2cc(C(C)=O)ccc2[C@@H]1OC(=O)C(C)C 31165967 CPDCJXCECPCPNL-OALUTQOASA-N 374.433 3.646 30 40 FHEB biogenic,in-vitro Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1 2729393 ZARBFCOGKYHUTE-BSBNDGSWSA-N 353.447 3.585 30 40 FHEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccccc2)c1=O 28536783 BJZKTXPCOMSWBS-UHFFFAOYSA-N 368.437 3.999 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC)cc3)ccc2c1=O 12609437 KVXZUVGSZITBTP-UHFFFAOYSA-N 367.430 3.506 30 40 FHEB N#CCCN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccc(F)cc1 3397624 XVQOJPFOVPVPLP-UHFFFAOYSA-N 372.421 3.636 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2c1=O 10323465 DAQNOKZAADKSHA-UHFFFAOYSA-N 373.384 3.776 30 40 FHEB COc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1 409061766 HTDKOQRPYBAWGI-DOXJHMMXSA-N 368.414 3.627 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccc(F)cc1 2330370 XHTDHQCBSYIFBW-PBTUDLSPSA-N 371.437 3.688 30 40 FHEB COc1ccc(Cc2nnc(SCc3ccccc3C#N)o2)cc1OC 7604774 WTXSEQCHQVXRIO-UHFFFAOYSA-N 367.430 3.842 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 3563083 SXRAEHYAICIIJA-DOTOQJQBSA-N 370.522 3.918 30 40 FHEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 409048347 SQYCBEXGAGADKJ-JSFTYKHLSA-N 374.440 3.768 30 40 FHEB CCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 408706687 COQLHKTZHBVJCY-UHFFFAOYSA-N 359.239 3.613 30 40 FHEB CN(/N=C/c1ccc(C#N)cc1)c1sc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-] 5208436 UHEXMKQINFLVKO-FRKPEAEDSA-N 365.758 3.560 30 40 FHEB CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O 4899130 WWBJYSXXPCKNMT-RXSWUABFSA-N 367.474 3.939 30 40 FHEB C=CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1C1CC1 36832832 JYCNWGJFWPVQDS-UHFFFAOYSA-N 369.446 3.754 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 9361188 DCOSWCVEFAJWSB-XOBRGWDASA-N 360.392 3.833 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 101231777 WFPTWGVUTNCUAD-GROYHEBESA-N 353.805 3.948 30 40 FHEB COc1ccc(C#CCSc2nc(-c3ccc(OC)cc3)no2)cc1 25185577 POTYUAHMLYYDPI-UHFFFAOYSA-N 352.415 3.898 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 22277349 XMPWZXFLIGIOGM-OAQYLSRUSA-N 362.454 3.821 30 40 FHEB C#CCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 408900294 XXCIOBLMVUDXIH-UHFFFAOYSA-N 370.452 3.976 30 40 FHEB CC[C@@H](C)n1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409405910 IUNMTQMVNMMWHP-DYFWIGMVSA-N 361.445 3.753 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 222882085 ZTIQBNHLHLMNRY-FQEVSTJZSA-N 366.461 3.961 30 40 FHEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCCOc1ccccc1Cl 46085180 DNOJLVAAJNBUBQ-FXBPSFAMSA-N 358.825 3.951 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Cl)c1 223663078 UHGZPZQDZKBRLB-UHFFFAOYSA-N 358.825 3.907 30 40 FHEB COc1ccccc1-c1csc(/N=C(\O)CN(C)Cc2cccnc2)n1 19586575 HUNJSPZNNASXSJ-UHFFFAOYSA-N 368.462 3.934 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 5584397 LKNJVUDQSMKNJL-UZYVYHOESA-N 363.333 3.763 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2ncc(C#N)c2N1 101470874 SYGHDZGHBAQFOP-KRWDZBQOSA-N 361.430 3.744 30 40 FHEB Cc1cc(C)nc(N/N=C/C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=O)n1 101271165 UWJSHNXLMLDXFZ-YVJZOELXSA-N 354.385 3.589 30 40 FHEB COc1ccc(C(=O)[C@H](C)[n+]2ccc(C)c3ccccc32)cc1[N+](=O)[O-] 4949848 KPGTVHJVNCEJEX-AWEZNQCLSA-N 351.382 3.796 30 40 FHEB COc1cc(C)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC 8752489 QKPATSLAUVVZEI-UHFFFAOYSA-N 365.389 3.828 30 40 FHEB CC(C)c1[nH]ncc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 32922105 NENSHCYIXOBTSW-VCHYOVAHSA-N 367.449 3.571 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3)N(C)C)o2)cc1 27991198 JZFRDJGGBPQWMD-IBGZPJMESA-N 362.433 3.937 30 40 FHEB CCc1cc(S[C@H]2C[C@H](C)OC2=O)n2c(nc3ccccc32)c1C#N 9115136 ORWAMFQZEGSXRJ-ZBEGNZNMSA-N 351.431 3.718 30 40 FHEB C=CCNc1nnc(SCC(=O)N2CCC[C@@H]2c2cccs2)s1 9450393 OYWWSCRCVMZVQB-LLVKDONJSA-N 366.537 3.653 30 40 FHEB CC1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 5554274 PYBDOOXQGIMDOF-QGZVFWFLSA-N 350.462 3.529 30 40 FHEB COc1ccc(/N=C2/S[C@H](Cc3ccc(OC)c(C)c3)C(=O)N2C)cc1 8336392 RGBWDOSJEIIIJG-PNBGARPFSA-N 370.474 3.816 30 40 FHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 12111603 AMAANBREAKKFGE-IBGZPJMESA-N 361.397 3.841 30 40 FHEB C[C@]12CC/C(=N\NC(N)=S)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118918568 YSALUCJHTGLMGQ-CJXPUIRWSA-N 363.571 3.579 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 6583343 FSQGYZVMVHRRSE-UHFFFAOYSA-N 350.374 3.617 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 18142726 ITGSYBXLPBHOKG-HNNXBMFYSA-N 373.865 3.896 30 40 FHEB O=C(O)COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1Cl 408939131 IAJGZMIPTWTWMH-MPUCSWFWSA-N 373.718 3.663 30 40 FHEB C#CCOc1ccc(Cl)cc1/C=C1\NC(=S)N(C2CCCCC2)C1=O 409084847 QQPOGNMSCYJCCL-VBKFSLOCSA-N 374.893 3.742 30 40 FHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(F)cc1)OCO3 35292207 HCLMSSVXYUKJNN-UHFFFAOYSA-N 366.373 3.949 30 40 FHEB CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 49171740 YPVJGDQFKXJQAO-PMACEKPBSA-N 365.521 3.792 30 40 FHEB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(OC)c1OC 4919594 ZBTFJXJOAWOGKX-BEFAXECRSA-N 370.401 3.616 30 40 FHEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 101650788 XCTAWHSSIZQAGF-XGIGFIBQSA-N 367.474 3.839 30 40 FHEB Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)n1 12560814 YCJMJTOZMPBFNE-SFHVURJKSA-N 369.428 3.866 30 40 FHEB CCOc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 2364701 VOQOVJJOGUFKEF-UHFFFAOYSA-N 374.444 3.939 30 40 FHEB CCOC(=O)[C@@H]1C(=O)N(O)C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 3997644 PCABVTNIDXAZMY-MOPGFXCFSA-N 369.417 3.536 30 40 FHEB C=CCn1c(C)nn(CN2CCC(c3nc4ccccc4o3)CC2)c1=S 14189741 CEHHQBJJQQMWMB-UHFFFAOYSA-N 369.494 3.887 30 40 FHEB N#Cc1ccccc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 6566725 AKRWBIVFTHFQGQ-UHFFFAOYSA-N 373.199 3.826 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2nccs2)c1C 5629895 VFVROLGFBWFCDN-UHFFFAOYSA-N 367.430 3.693 30 40 FHEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCCO2 8055078 BAHNKBNYTCXJTH-HNQUOIGGSA-N 358.777 3.779 30 40 FHEB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)cc2c1C 9552076 UELCVGRXWOHXNR-HNNXBMFYSA-N 367.449 3.673 30 40 FHEB C#CCOc1c(Br)cc(/C=N/Nc2ccccc2)cc1OC 408820714 YGZGPOONSDDILI-XDHOZWIPSA-N 359.223 3.916 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224998324 KHVKGYQYNNOCRQ-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB COc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 5249181 BUUNURYMLXPEPA-HZHRSRAPSA-N 370.412 3.840 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 5408129 JUEZCJWSAPYEMN-QGZVFWFLSA-N 370.836 3.969 30 40 FHEB C=CCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c1C 12344951 CIENNDMRUBRJLT-WCRBZPEASA-N 355.457 3.531 30 40 FHEB CCOc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1ccccc1F 5444465 CPGXLERIDPQDOU-UFFVCSGVSA-N 372.425 3.940 30 40 FHEB COc1ccc(Cl)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 100290892 NBHGPKZRRMXGQI-CIAFOILYSA-N 355.825 3.897 30 40 FHEB CC[C@@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccccc1 23019556 ZDCDVKDTZNSJAI-SFHVURJKSA-N 352.482 3.656 30 40 FHEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100727365 YEFGLSZZTDXCCO-NHCUHLMSSA-N 365.448 3.852 30 40 FHEB C=CCn1c(SCc2nnc(C3CC3)o2)nc2cc(Cl)ccc2c1=O 58434648 RBZTXLSEKMSGTN-UHFFFAOYSA-N 374.853 3.789 30 40 FHEB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 13002152 CNUQPVZDZLJJGF-FQEVSTJZSA-N 350.418 3.699 30 40 FHEB N#Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 6225218 CIVPXGNFDJDIPM-OQLLNIDSSA-N 353.175 3.665 30 40 FHEB C[C@@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1 15498500 IZHUWSHBCKFHET-GFCCVEGCSA-N 362.401 3.976 30 40 FHEB CC(C)(C1CCC(OC[C@H]2CO2)CC1)C1CCC(OC[C@H]2CO2)CC1 31372461 GZPRASLJQIBVDP-RZXUBOOQSA-N 352.515 3.961 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C)s1 408799583 ZNPHAFIXIMJLPD-INIZCTEOSA-N 351.427 3.798 30 40 FHEB COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 38477578 QISDFKAAGWGUJL-FNORWQNLSA-N 373.361 3.525 30 40 FHEB Cn1cc(/C=C2/SC(O)=N/C2=N\c2cccc(Br)c2)cn1 95472699 YHSGVWCDTIBLGF-LFYBBSHMSA-N 363.240 3.915 30 40 FHEB COc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3CCC[C@@H]3C#N)c2)cn1 619806263 UIQITQPGGMIDAI-WBVHZDCISA-N 350.422 3.879 30 40 FHEB COc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 5172587 MPHZYKJGNYUKOC-UHFFFAOYSA-N 371.462 3.627 30 40 FHEB O=C(C[C@@H]1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccc(Cl)cc1 5813699 QUSLOWPOENELTJ-HNNXBMFYSA-N 360.822 3.538 30 40 FHEB O=C1/C(=N\Nc2ccccc2O)C(c2ccccc2)=NN1c1ccccc1 12376587 RZVOKVQKBDAHCP-ATJXCDBQSA-N 356.385 3.611 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13685713 GTGAONRDBNLJBQ-INIZCTEOSA-N 352.434 3.625 30 40 FHEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(OC)c1OC(C)=O 5161624 NMASIRKYFFBMHN-VXLYETTFSA-N 371.418 3.685 30 40 FHEB C=CCCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1889040387 OVWPDTKOJUGQQJ-UHFFFAOYSA-N 360.410 3.533 30 40 FHEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)cc1 8844529 DQDGUYRFCANWQA-UHFFFAOYSA-N 351.362 3.968 30 40 FHEB CC(C)c1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@@H]4N3)C(=O)C2)cc1 9287847 SUJSWQVDAGXBGU-ROUUACIJSA-N 352.478 3.541 30 40 FHEB CCOc1cc(Cl)c(/C=C2\S/C(=N/C)N(C)C2=O)cc1OCC 59105223 UNMBGLZBFYWNGI-YSZNWWIGSA-N 354.859 3.669 30 40 FHEB CCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)c(C)cc1O 55145998 MRHJCWBPZJHXLC-KNTRCKAVSA-N 366.870 3.837 30 40 FHEB N#CCCN(C(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccccc1 3286882 HMGNFKGBJAPOJB-UHFFFAOYSA-N 369.475 3.572 30 40 FHEB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 3332438 AVOCWVFGTMIWLL-UHFFFAOYSA-N 369.837 3.744 30 40 FHEB C=CCSc1ccccc1NC(=O)Cn1cnc2c(C)cccc2c1=O 14139094 YOFXUYSYSSQTHP-UHFFFAOYSA-N 365.458 3.622 30 40 FHEB O=C1N/C(=N/N=C/c2ccc(Br)cc2)S[C@@H]1c1ccccc1 18323503 FNAWFUVYZDQEOE-YFEUJDIGSA-N 374.263 3.743 30 40 FHEB CCOCCCNc1nnc(SCc2ccc(C#N)cc2F)s1 9336272 KDOZRVKGUSKIFT-UHFFFAOYSA-N 352.460 3.680 30 40 FHEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 78547433 SEXYPGWFFSDXDX-MRXNPFEDSA-N 374.444 3.745 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O 20568870 VXVDMZVYKBVQRG-SFHVURJKSA-N 360.413 3.602 30 40 FHEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)C1(c2ccccc2)CCC1 48450799 QALGQTFPHKORFU-UHFFFAOYSA-N 374.418 3.670 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 48547073 DLURJPMDGSFIIF-IXVYMMOLSA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro N#Cc1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c1 333927646 WOTODVGBYJORPZ-LJQANCHMSA-N 352.459 3.517 30 40 FHEB C=CCOc1ccc(/C=C2/C(=O)N(CCC)C(=S)N2C)cc1Cl 4681728 KIDRPDSTXQMSNT-KAMYIIQDSA-N 350.871 3.715 30 40 FHEB O=C(O)/C=C/c1cccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1 5448504 IERVGRFNFGOQHU-QPJJXVBHSA-N 371.190 3.620 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 8476952 OSOUOYHYRXGRBV-AXLWCPOOSA-N 352.386 3.942 30 40 FHEB C[C@@H](Oc1ccc(Br)cc1)C(=O)OCc1cccc(C#N)c1 13287161 WMKOBHXMABZJFD-GFCCVEGCSA-N 360.207 3.831 30 40 FHEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OC 59104426 XBWGKOIAKIWIOS-ZZCYQEOYSA-N 360.479 3.744 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OC 107979347 OPTKSYRQNMGOFE-JAIQZWGSSA-N 362.813 3.737 30 40 FHEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071186 SPLBRUYZMNNCLS-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB COc1cccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c1 408878231 YORWEWXGTXZNDT-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB COc1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2C#N)ccc1OC1CCCC1 1615555844 XZPZSAUPIVLFDQ-SJLPKXTDSA-N 371.481 3.898 30 40 FHEB N#Cc1c(NC(=O)COC(=O)CCC2CCCC2)sc2c1CCCC2 7483732 UPPMRVBJROETIR-UHFFFAOYSA-N 360.479 3.951 30 40 FHEB C=CCn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCCC3 13693085 JLIGAPHNOPQQEH-UHFFFAOYSA-N 362.458 3.838 30 40 FHEB C=CCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c2ccccc21 66318730 DYNUXDVQKAIDPQ-UHFFFAOYSA-N 357.417 3.875 30 40 FHEB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1sccc1C#N 7364201 XEBQJLAQSYHHMR-LLVKDONJSA-N 369.475 3.535 30 40 FHEB CC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC 17836643 YVNCHMOXNVRRMX-ZNZSVTJWSA-N 374.293 3.662 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 19138540 DVUPCFMLBPSHSZ-LJQANCHMSA-N 365.429 3.610 30 40 FHEB CCc1cc(S[C@H]2C[C@@H](C)OC2=O)n2c(nc3ccccc32)c1C#N 9115138 ORWAMFQZEGSXRJ-BZNIZROVSA-N 351.431 3.718 30 40 FHEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 408739589 CUOAYNDMOARSRW-LEBHLANCSA-N 356.769 3.989 30 40 FHEB COc1cccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)c1 35079086 HHLOSNXELKDKOE-RGVLZGJSSA-N 353.447 3.536 30 40 FHEB COc1ccc(CN/N=C(\C)c2ccc(Br)cc2)cc1OC 216055471 KEIJKQNCCGSINU-UDWIEESQSA-N 363.255 3.980 30 40 FHEB Cc1cc(N/N=C2\C(=O)Nc3c(F)cc(F)cc32)ccc1Br 223750910 SHWVLCVCJCFMIH-UHFFFAOYSA-N 366.165 3.804 30 40 FHEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225079325 KLGJBFQXOYVVPL-UHFFFAOYSA-N 360.435 3.847 30 40 FHEB C=C(C)C[C@@H]1N(c2ccc(C(C)C)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 245225643 ACBMKFRUOOYOLR-GOYZHWMFSA-N 367.445 3.516 30 40 FHEB CCN(CC)c1ccc(N=C2C=C(C(=O)NC)C(=O)c3ccccc32)cc1 253533281 MIEPHHHNLFMNBK-UHFFFAOYSA-N 361.445 3.522 30 40 FHEB CCOc1c(Cl)cc(C(=O)N(CCC#N)Cc2ccco2)cc1OC 60852349 GBJCPRXDEGZGSX-UHFFFAOYSA-N 362.813 3.896 30 40 FHEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 23731418 WPUDJIKOMNQLNP-SFHVURJKSA-N 373.378 3.728 30 40 FHEB N#Cc1c(O)nc(SCC(=O)c2cccs2)nc1-c1ccccc1 31773590 WPUWTVBDBPZYDE-UHFFFAOYSA-N 353.428 3.757 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccccc1F 46089284 ANJUOSNLXDQQOV-QGZVFWFLSA-N 357.454 3.971 30 40 FHEB C=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21 8047773 NLJKJBBLSLDCBD-HXUWFJFHSA-N 364.445 3.592 30 40 FHEB CC1(C)CC2=Nc3c(C#N)cnn3[C@H](c3ccc(C(=O)O)cc3)C2=C(O)C1 102453375 HISYTRKLYGQWAA-QGZVFWFLSA-N 362.389 3.761 30 40 FHEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\[C@H](C)CCC(C)C 8687974 XJIXBCUCRBQBJT-CQSZACIVSA-N 371.572 3.768 30 40 FHEB Cc1ccc(-c2csc3c2C(=O)NC2=C(c4ccccc4)C(=O)CN23)o1 6589173 BZNCBKBCFRAOAQ-UHFFFAOYSA-N 362.410 3.818 30 40 FHEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 6566322 UCEWKCPJJQSLJX-UHFFFAOYSA-N 374.440 3.978 30 40 FHEB C=CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2ccccc21 6909036 AJUAVJTVWIIQLG-ZDUSSCGKSA-N 368.487 3.956 30 40 FHEB C=CCOc1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225561042 IWXSLYAHCVRQSY-UHFFFAOYSA-N 367.518 3.991 30 40 FHEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033354 KWXQFKGYCGOYGE-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=CCN1C(=O)N(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc21 1889104500 WWADUSUVJWACPF-UHFFFAOYSA-N 362.838 3.970 30 40 FHEB Cc1cc(I)ccc1/N=C1/C(=O)Nc2ccccc21 6390155 AFRZZIPNCAKKRV-UHFFFAOYSA-N 362.170 3.673 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(Cc2ccco2)c1C 6821075 ARWKGKXZGRFPQF-UHFFFAOYSA-N 374.444 3.619 30 40 FHEB COC(=O)c1ccc(C)c(/N=C/c2cc(Br)c(N(C)C)o2)c1 59104386 NDPYQFNSMLEUII-GIJQJNRQSA-N 365.227 3.954 30 40 FHEB N#C[C@H](/C(=N/N)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104285982 WZZDCVFKWCYXCM-OJRHOHORSA-N 371.227 3.792 30 40 FHEB CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 26807961 NFSHPOFMBFJDFL-CQSZACIVSA-N 350.871 3.535 30 40 FHEB N#Cc1c(NC(=O)CO/N=C/c2cccs2)sc2c1CCCCC2 2263223 WKQGEGPBIUHYSX-VXLYETTFSA-N 359.476 3.939 30 40 FHEB Cc1noc(-c2ccc(C(=O)OCc3cn4ccccc4c3C#N)cc2)n1 48300731 XENIJNMTWRSKQY-UHFFFAOYSA-N 358.357 3.526 30 40 FHEB Clc1ccc(SCCOc2ccccc2/C=N/n2cnnc2)cc1 4551302 MDOZEEWWLHMNDK-SRZZPIQSSA-N 358.854 3.985 30 40 FHEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccco1)CC2 4700672 MGGHXTBZVNLPAF-GZTJUZNOSA-N 350.168 3.558 30 40 FHEB COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCC(=O)O 409369261 JHMWRWXUXPLYLN-AWNIVKPZSA-N 358.777 3.634 30 40 FHEB C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173673 URXFLOPQWGWCHW-OALUTQOASA-N 368.502 3.987 30 40 FHEB C=CCN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1 8210861 FPVHBFCHVQHJLZ-UHFFFAOYSA-N 350.447 3.579 30 40 FHEB CCn1c(=O)c(/C(C)=N/c2cccc(C(=O)O)c2)c(O)c2ccccc21 101161098 QJSQCJIOMAPRFG-CIAFOILYSA-N 350.374 3.566 30 40 FHEB C=CCn1c(SCC(C)=O)nc2scc(-c3ccccc3)c2c1=O 710210 DZHPEYQKPNBDDK-UHFFFAOYSA-N 356.472 3.992 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)[nH]n1 22976027 QFSXRDIPLPDRLA-UHFFFAOYSA-N 369.346 3.877 30 40 FHEB CN1N=C(c2ccc3c(c2)CCC(=O)N3)CS/C1=N\Cc1ccccc1 54359289 FRZILXHSWBZFEQ-MRCUWXFGSA-N 364.474 3.510 30 40 FHEB O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818358 XNPGYHSGWLDFRE-FHNDFQSHSA-N 364.239 3.810 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1c[nH]c2ccccc12 3260607 CTYCGPVTKTXONQ-UHFFFAOYSA-N 374.469 3.532 30 40 FHEB Cc1nc(SCC(=O)N[C@@](C)(C#N)C2CC2)n(C2CCCCC2)c1C 10870872 NCNYHJVWOSIRMV-IBGZPJMESA-N 360.527 3.906 30 40 FHEB Cc1nc(NC(=O)c2c(Cl)nc3ccccn23)sc1SCC#N 48310569 XFOWKXRLSBVOSP-UHFFFAOYSA-N 363.855 3.621 30 40 FHEB CCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 12994021 VNIQQDNXWWXDLD-KGLIPLIRSA-N 366.417 3.686 30 40 FHEB C/C(=N/OC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1cnccn1 5721512 ZZDAZXBTBGUNLV-AFPJDJCSSA-N 374.759 3.814 30 40 FHEB C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 95996098 GDIKYKHXTOMNAY-UKRRQHHQSA-N 369.421 3.754 30 40 FHEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 409188102 ALFKARIEYUMTQR-SRZZPIQSSA-N 355.390 3.774 30 40 FHEB Cc1cc(N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)nc2ccccc12 33042793 FZLIENOJZQNYNA-OQKWZONESA-N 369.421 3.676 30 40 FHEB Cc1nsc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C#N 587216448 VNRRTPROXQLAHC-UHFFFAOYSA-N 367.400 3.818 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)Nc1nonc1N2 12389095 TVHQTECTFYYQIP-QGHHPUGFSA-N 366.352 3.781 30 40 FHEB CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCCc2ccccc21 1333242 MGBACVIYUVFKOZ-HXUWFJFHSA-N 372.476 3.842 30 40 FHEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1 2729394 ZARBFCOGKYHUTE-XOMICKMZSA-N 353.447 3.585 30 40 FHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3Cl)c2)c1 5861959 XNAMDQCASDLPSN-UHFFFAOYSA-N 364.788 3.608 30 40 FHEB O=C(CO/N=C1/CCCCCN1)Nc1ccc(Oc2ccccc2)cc1 7060560 MUXPRJFAUGYOSW-UHFFFAOYSA-N 353.422 3.911 30 40 FHEB CC(=O)NCc1ccc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)s1 8745601 MJEWLYVBGNHGPQ-AATRIKPKSA-N 359.476 3.606 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1O 15162907 MVGWZJYGXYMEQR-OVCLIPMQSA-N 368.130 3.656 30 40 FHEB C=CCc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 21559671 OZTNFDXKQPJUST-GOSISDBHSA-N 366.461 3.830 30 40 FHEB N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccco1)c1nc(O)c2ccc(Cl)cc2n1 84432083 KTXAHWMHSMZXBW-FRRDWIJNSA-N 353.765 3.562 30 40 FHEB COc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 95215270 AMUSYDVGRGMDKP-DARPEHSRSA-N 370.412 3.914 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccco1 97104977 KUNIDKNJJNODQH-OXJNMPFZSA-N 370.401 3.616 30 40 FHEB O=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103542865 KKSMWYGOTSAPOW-UHFFFAOYSA-N 360.094 3.601 30 40 FHEB COCc1cc(C)nc(NN=Cc2cc(Cl)cc(Cl)c2O)c1C#N 254369497 ZREPKBHVHHWNSG-UHFFFAOYSA-N 365.220 3.867 30 40 FHEB COc1ccc(/N=C\c2cc(Br)c(Br)o2)cn1 408849202 YHQAEHQGWCVWOL-NSIKDUERSA-N 360.005 3.959 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 408996376 HXSNVECGTMIMTE-CPNJWEJPSA-N 369.381 3.939 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 408999993 MBHLTPMXJZILSP-RAXLEYEMSA-N 351.324 3.564 30 40 FHEB C=C(C)C[C@@H]1N(c2ccc(C(C)C)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237649 ACBMKFRUOOYOLR-GPUAKUCWSA-N 367.445 3.516 30 40 FHEB COc1cc(C#N)cc(Cl)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2 6126655 BGWYGSGOTLZXDD-UHFFFAOYSA-N 374.868 3.684 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 8744570 QJUZYNWSNCHYJJ-ZIAGYGMSSA-N 360.483 3.511 30 40 FHEB C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=S 2302901 QOKWIQSEDSAWGC-XYOKQWHBSA-N 370.293 3.845 30 40 FHEB N#CCCn1c(SCCS(=O)(=O)c2ccccc2)nc2ccccc21 11426787 ISNJDNWPUZEXPE-UHFFFAOYSA-N 371.487 3.516 30 40 FHEB CCCCCCCc1nnc(SCC(=O)Nc2nccs2)n1C 408560766 OSFBOGUYGKJYSF-UHFFFAOYSA-N 353.517 3.515 30 40 FHEB CCNC(=S)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 409371775 HPKLDEUCHZDYTP-WSDLNYQXSA-N 350.491 3.816 30 40 FHEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888194 MOUUBJJNVMKDML-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 13635090 YISJHWONYYUCGX-LJQANCHMSA-N 361.401 3.760 30 40 FHEB C=CCc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 15409386 JHNDYBULBAXVNZ-UHFFFAOYSA-N 356.378 3.658 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1F 19959838 KIMOVLZXKQUHGS-RMLUDKJBSA-N 366.318 3.704 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 5565228 OZZFCCWEFAGBHN-QGZVFWFLSA-N 354.431 3.577 30 40 FHEB N#Cc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cn2ccccc12 14902338 CKFVLSPVCWYKEO-UHFFFAOYSA-N 368.322 3.532 30 40 FHEB N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)c1 207964462 ZHHKLJQIXVFYJU-KRWDZBQOSA-N 354.456 3.693 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 13581988 ZMXZUQGYBSJGQZ-GOLOZUJYSA-N 371.437 3.688 30 40 FHEB Cc1ccc2nc(SCC(=O)NCCc3ccccc3)c(C#N)cc2c1 4848876 TUTDMCRKFBTANI-UHFFFAOYSA-N 361.470 3.866 30 40 FHEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546918 OOHMWAADHZSAJO-DXRVJIQQSA-N 356.429 3.854 30 40 FHEB COc1cccc([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1 20029523 XQWXNFLYYDSKJD-LBPRGKRZSA-N 364.430 3.541 30 40 FHEB C[C@@H](NC(=O)CO/N=C/c1ccc(N(C)C)cc1)c1cc2ccccc2o1 25007120 IOGQKHVRVTXHNF-IKMPRTQCSA-N 365.433 3.727 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409064781 FMQFSDTVGFWQAZ-GZTJUZNOSA-N 374.462 3.526 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 13595963 LNPXOWKEEQTJHE-VORLENPISA-N 367.474 3.858 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 6063724 SAFZTNCLFGBHBU-UHFFFAOYSA-N 372.852 3.910 30 40 FHEB O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1 4602871 CNMBANXIFWLIKG-VIZOYTHASA-N 366.127 3.722 30 40 FHEB C=CCn1c(SC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCCC3 7084728 TUJBNVKIBQKTSY-LBPRGKRZSA-N 362.520 3.794 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 408731037 KCHVFISBJVAKBR-SFHVURJKSA-N 351.362 3.729 30 40 FHEB O=C1CSC(=N/N=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)N1 408977541 XDAPCNINOYKLSK-UBKPWBPPSA-N 354.218 3.806 30 40 FHEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C(=O)O)cc1 210530670 KAIWYFCJGTXPTC-DOXJHMMXSA-N 368.414 3.714 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1ccc(F)cc1 223678941 VPRZQGRPZVFPHI-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCC2 5046254 UHVJKOBQDZBVID-NEPJUHHUSA-N 364.854 3.671 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2ccc(C#N)cc2)C(C)(C)c2ccccc21 18059399 NWJXYZPQPBIBSB-NDENLUEZSA-N 360.413 3.596 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2)c1C 3452698 DPHIVZHBYRWTLT-UHFFFAOYSA-N 352.463 3.847 30 40 FHEB Cc1cccc(C)c1/N=C1\NN=C(c2ccc3c(c2)CCC(=O)N3)CS1 32869504 ROWHIHKYXRKOAP-UHFFFAOYSA-N 364.474 3.916 30 40 FHEB C=CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCc2ccccc21 32916158 CMNKNZZWUIIBGC-COFLGROHSA-N 367.493 3.620 30 40 FHEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)O)n2)cc1 796134 KTUYVZBENAZQJR-UHFFFAOYSA-N 368.336 3.824 30 40 FHEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)CC1 20533430 BZBXHDVRFIBQRJ-UNOMPAQXSA-N 350.418 3.635 30 40 FHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14157676 LFODUGWPIAKYDC-SFHVURJKSA-N 357.816 3.502 30 40 FHEB N/C(Cc1ccc(Cl)cc1)=N\OC(=O)COc1cccc2ccccc12 6886113 DSCPVAQSHMCTOD-UHFFFAOYSA-N 368.820 3.930 30 40 FHEB CCOC(=O)c1cccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 409187010 KTTVMWRVEWHUHN-XKZIYDEJSA-N 369.417 3.944 30 40 FHEB Cc1ccc(CNC(=O)CC(C)(C)CC(=O)Nc2ccc(C#N)cc2)o1 199422625 AXZHLSSWKXCEEG-UHFFFAOYSA-N 353.422 3.521 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 61991162 MIVSQBNBIGTKAZ-BLJDSTSXSA-N 359.510 3.600 30 40 FHEB biogenic COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1 5444141 WLVPRKMXJGPSPY-IBGZPJMESA-N 365.429 3.930 30 40 FHEB CCOC(=O)c1sc2nc(CSCCC#N)nc(Cl)c2c1C 3887738 JFEFDGOIHWXLOH-UHFFFAOYSA-N 355.872 3.977 30 40 FHEB N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)F 2784664 KISWGZAJHNTKJQ-NEPJUHHUSA-N 353.170 3.880 30 40 FHEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=S)NC1CCCCC1 12654201 YKQNZOJPXCMVOS-UHFFFAOYSA-N 356.495 3.932 30 40 FHEB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CCC#N 8710185 OSJRGHAKZWVSSI-HNNXBMFYSA-N 356.495 3.833 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 95483065 VZZAQIQKMSQOAV-KRWDZBQOSA-N 363.442 3.792 30 40 FHEB CC1(C)OB(c2cc(-c3ccccc3)nn2[C@H]2CCCCO2)OC1(C)C 575157505 NOOWOXIDDJFPBH-GOSISDBHSA-N 354.259 3.548 30 40 FHEB O/C(=N/Cc1c(F)cccc1OC(F)F)N1CCOC[C@@H](C2CCC2)C1 330197685 SDSCHYWVTRUIDV-ZDUSSCGKSA-N 372.387 3.590 30 40 FHEB COc1ccc(Br)c2c1NC(=O)/C2=N\OCC1CCCCC1 42750306 YIPSJYVFQXXIKK-UHFFFAOYSA-N 367.243 3.711 30 40 FHEB CCOc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 6959424 NTYYKFWLAZVCHP-KEBDBYFISA-N 362.813 3.873 30 40 FHEB C=CCN1c2ccc(C(=O)NCCCC)cc2-c2ccccc2S1(=O)=O 33271938 IAEZVQZCTXKIJR-UHFFFAOYSA-N 370.474 3.578 30 40 FHEB N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(C(F)(F)F)cn1 41554736 BHTBQOWANOPDMM-JTQLQIEISA-N 368.698 3.973 30 40 FHEB CCOc1cc(/C=N\NC(=N)N)ccc1OCc1cccc2ccccc12 33362293 ZTRRQDSEIKGMNG-CFRMEGHHSA-N 362.433 3.634 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 888401 FDMKZTPGIWOGHT-UHFFFAOYSA-N 356.407 3.518 30 40 FHEB COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 1079989 PITPOKMPKVZPRG-ICSRJNTNSA-N 369.392 3.676 30 40 FHEB CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 25230102 GFKWWIUSSIQTQY-HNNXBMFYSA-N 364.898 3.729 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Cl)c2O)nc1 408751075 WCUZNDLUMSWKRJ-FZSIALSZSA-N 371.578 3.557 30 40 FHEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5164632 AEWHVTGTVLCLPQ-NDENLUEZSA-N 373.364 3.926 30 40 FHEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C[C@@H]1C[C@@H]2C=C[C@H]1C2 218601585 OQPGQZUOFQEDMP-KBMXLJTQSA-N 363.486 3.534 30 40 FHEB CCOc1ccc(S(=O)(=O)N/N=C(/C)c2cc3ccccc3o2)cc1 33736810 QSXVIMPYAGZVII-UYRXBGFRSA-N 358.419 3.534 30 40 FHEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 226344144 FRRHRHKFSOAMLR-UHFFFAOYSA-N 373.181 3.922 30 40 FHEB COc1ccc(Cn2nc(OCc3ccc(C)cc3C)c(C#N)c2N)cc1 225848188 NNAUOBHQRYAVIW-UHFFFAOYSA-N 362.433 3.590 30 40 FHEB CCCCCCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1 97944150 YUFFDIFQOPVPBX-UHFFFAOYSA-N 352.519 3.953 30 40 FHEB COc1ccc(C(=O)O/N=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 1403243 JQNGWWBFNFBWTH-ATJXCDBQSA-N 372.380 3.935 30 40 FHEB COc1cc(/C=N/C[C@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 4089607 LAWRUBRIRALFEC-PPAWOMOGSA-N 360.841 3.921 30 40 FHEB CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 5334479 YNNQNJUNKGXSDG-LICLKQGHSA-N 363.215 3.869 30 40 FHEB COc1cc(C(=O)/C=C/c2ccc(SC)cc2)ccc1OCC(=O)O 6433302 DIHPRZWCCNAOAB-WEVVVXLNSA-N 358.415 3.777 30 40 FHEB COC(=O)[C@@H](Cc1ccccc1)N/C(C)=C/C(=O)c1ccc(Cl)cc1 6550622 CCCJQFBPCMUUOO-QIXNEVBVSA-N 357.837 3.800 30 40 FHEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC 408931266 JHGGROFKVCENKP-FYJGNVAPSA-N 360.841 3.944 30 40 FHEB C[C@H](Sc1ncnc2sccc12)C(=O)N(C)C1(C#N)CCCCC1 7363483 DEYKOOOVYXIKBI-LBPRGKRZSA-N 360.508 3.857 30 40 FHEB Cc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)s1 409287471 VRBNYVCTQBBHEZ-UHFFFAOYSA-N 362.252 3.720 30 40 FHEB CC(C)(C)Oc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409408367 QBVUEXWXJGOHNN-MWDDYTRKSA-N 372.852 3.658 30 40 FHEB Sc1nncn1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611358 XPTNMDIBBFVXFC-NGYBGAFCSA-N 369.233 3.928 30 40 FHEB CCN1CCN(/C(S)=N/C(=N/c2ccccc2)c2ccccc2)CC1 36293434 BQOAXKFFCQLEBI-UHFFFAOYSA-N 352.507 3.688 30 40 FHEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc12 73641943 ICNUEHPTZWKRCJ-UHFFFAOYSA-N 356.721 3.846 30 40 FHEB CC(C)CCn1ncc(N=C(O)N2CCCC[C@H]2c2nc[nH]n2)c1C(C)C 330187460 SYWVAFFCBGBQGZ-INIZCTEOSA-N 373.505 3.943 30 40 FHEB Sc1nnc(-c2ccccc2)n1N=Cc1ccc(Br)s1 253616958 GVJUFZUTDHGHRG-UHFFFAOYSA-N 365.281 3.940 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(F)cc1 2487256 PQHGYSBJKMVMGD-ZBFHGGJFSA-N 374.437 3.594 30 40 FHEB C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O 3875842 VJFUPGQZSXIULQ-XIGJTORUSA-N 372.461 3.711 30 40 FHEB in-man C=C(C)CN1CCN(c2ncnc3c2sc2nc(C)c(C)cc23)CC1 12408604 UHZDPSVRCZEPLQ-UHFFFAOYSA-N 353.495 3.554 30 40 FHEB CC1CC(=O)C(=C2N(Cc3ccccc3)CCN2Cc2ccccc2)C(=O)C1 20674360 GAGZNTOCXUJRDS-UHFFFAOYSA-N 374.484 3.784 30 40 FHEB Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3C)n3c2CCC3)cc1 28047837 ZXMIHZJUWCSDEJ-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 13733823 UNLRULODCKFAFV-QGZVFWFLSA-N 366.417 3.970 30 40 FHEB O=[N+]([O-])c1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1Cl 5604892 VZFSMXBTZUSPKV-QGMBQPNBSA-N 367.756 3.514 30 40 FHEB C#CCOC(=O)[C@@H](OCC#C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5613728 DCSNZONGHFZPCA-IBGZPJMESA-N 356.462 3.855 30 40 FHEB N#Cc1c(COC(=O)c2cccnc2SC(F)F)cn2ccccc12 14853873 HQAVYWJULYRCOB-UHFFFAOYSA-N 359.357 3.878 30 40 FHEB CC(=O)Nc1c(C#N)c(-c2ccc([N+](=O)[O-])cc2)cc2nc3ccccc3n12 5827081 MNBHFKVCOPFXGY-UHFFFAOYSA-N 371.356 3.893 30 40 FHEB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2ncccc2C#N)CC1 69842370 RQKYWOMCKWNPSD-LJQANCHMSA-N 369.513 3.532 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 118918399 LYALGFDSSRNLPA-WDJCFKBNSA-N 363.571 3.579 30 40 FHEB CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 79075792 VOAOUKBDAXHAIL-UHFFFAOYSA-N 351.431 3.578 30 40 FHEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408749600 HZRABTXVCYKVRE-IUXPMGMMSA-N 365.187 3.597 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1 35647142 VBRDRSRWONVVJV-LFIBNONCSA-N 368.414 3.675 30 40 FHEB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119718 PGJWZVCOJUZJGK-BUUCAEBMSA-N 360.763 3.696 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 5408774 HWHDGPLQABSYSS-SFHVURJKSA-N 367.376 3.599 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C=Cc2ccccc2[C@@H]1C#N 4127057 UWFUQBJWSJTGPZ-OTWHNJEPSA-N 350.418 3.598 30 40 FHEB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 4720687 FSKYYHQTBLJUML-KAKDVIIHSA-N 360.494 3.811 30 40 FHEB CCCCCCCCCCCCS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 100838839 QQZOPRBQGGOUML-MRXNPFEDSA-N 352.562 3.509 30 40 FHEB Cc1ccc(-c2nc(CC(=O)N(CCC#N)Cc3cccnc3)cs2)o1 58264354 WSKMOYDINPSVNO-UHFFFAOYSA-N 366.446 3.592 30 40 FHEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCCC1 12629818 FFZXTWZODONBGX-CQSZACIVSA-N 356.495 3.879 30 40 FHEB CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCN(C)C2 2267304 JYALPUJRYLTSNO-KEBDBYFISA-N 358.463 3.677 30 40 FHEB O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1O 49575565 LBFWXGFWMIGKBR-HNQUOIGGSA-N 361.737 3.716 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1nccs1 5022021 UAHLODIBICUOQI-MJBRBLHISA-N 373.459 3.647 30 40 FHEB COc1cc(/C=N/Nc2ccc(Br)cc2)cc(OC)c1O 6380694 WZTRTUHWJNBTTL-RQZCQDPDSA-N 351.200 3.618 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1Cl 9832093 VHCYRJDSSSASEX-UHFFFAOYSA-N 373.869 3.746 30 40 FHEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1 409098019 PCYXQLBTRNNSBW-RGVLZGJSSA-N 350.334 3.898 30 40 FHEB Ic1ccc(/C=N/Nc2ccc3ccccc3n2)o1 409001342 PGAHUTAWUYDMCU-CXUHLZMHSA-N 363.158 3.878 30 40 FHEB Nn1c(-c2ccc(Br)cc2)cs/c1=N/N=C1CCCCC1 33777613 WKVYRNOUXSTKFI-XDJHFCHBSA-N 365.300 3.914 30 40 FHEB COc1ccc(CCNc2nc(N3CCCC3)cc(C)c2C#N)cc1OC 71279258 XTOKBPXAJAJYOS-UHFFFAOYSA-N 366.465 3.534 30 40 FHEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 13116129 LUDYOKCZETWCOX-YPAWHYETSA-N 367.445 3.987 30 40 FHEB Cc1ccsc1/C=C/C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 16171961 YYGNCISIPNVALK-IPLHWJFFSA-N 369.465 3.618 30 40 FHEB Cc1ccc(-c2nc3n(n2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N3)cc1 4279831 TYYVCLIVZFGYIL-HXUWFJFHSA-N 372.428 3.981 30 40 FHEB CCCC/N=C1\S/C(=C2\C(=O)Nc3ccccc32)C(=O)N1CCCC 101012924 KOZNVXVMVNCJDZ-UKTKCZHSSA-N 357.479 3.881 30 40 FHEB C[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N 11712591 XISFPGSPHFWURY-LBPRGKRZSA-N 363.339 3.938 30 40 FHEB COc1cc(/C(C)=N/Nc2ccccc2C(=O)O)ccc1OC(F)F 13459234 MFGJZIRTFNNVRG-KEBDBYFISA-N 350.321 3.831 30 40 FHEB C#CCOc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)cc1OC 4656236 KBKOKGJAOJBZHZ-WQRHYEAKSA-N 364.376 3.652 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccnn2C2CCCC2)n1 5641562 SQBDAEXXLCPMQG-UHFFFAOYSA-N 355.467 3.613 30 40 FHEB Cc1nnc(S)n1/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408879300 CXSLVJVLCVYNKA-SSDVNMTOSA-N 372.457 3.632 30 40 FHEB CC1(C)OB(c2ccc(Br)c(C(F)(F)F)c2)OC1(C)C 198304455 SCOLNLATAHGRSD-UHFFFAOYSA-N 350.971 3.767 30 40 FHEB Cc1ccc(CN2CCCC[C@@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1 585293355 FIXJGHQASZPBDI-HXUWFJFHSA-N 374.448 3.537 30 40 FHEB Cc1ccc(CN2CCCC[C@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1 585293354 FIXJGHQASZPBDI-FQEVSTJZSA-N 374.448 3.537 30 40 FHEB CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 19959698 GFBHDWRSJFRKMY-XCLFUZPHSA-N 365.481 3.701 30 40 FHEB CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 27992013 JHTZCLGFZZURGX-SFHVURJKSA-N 355.486 3.526 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c(OC)c1 12662821 QPHMCZGCLFZRBS-OCKHKDLRSA-N 366.369 3.635 30 40 FHEB biogenic Oc1cccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)c1 8042548 SVBNBYXKVHLKKE-FYJGNVAPSA-N 360.442 3.899 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C1=C(CCCC1=O)N2 4436153 IXOZWQFQYRPIAZ-QGZVFWFLSA-N 354.479 3.975 30 40 FHEB O=C1C(O)=C(Cc2ccccc2)C(=O)c2c(O)c(Cl)c(Cl)c(O)c21 5626336 OCSXLDMOJJRVBF-UHFFFAOYSA-N 365.168 3.838 30 40 FHEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC 15466795 NGWBXNKZVBQWIZ-DVSFIDLUSA-N 361.511 3.915 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 19855504 DUUKPEWHSGOATK-IBGZPJMESA-N 352.434 3.535 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1OC 408560824 PISIILWHELAYJA-UHFFFAOYSA-N 360.483 3.546 30 40 FHEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408999848 WELDSYBBDNZCGL-DEDYPNTBSA-N 354.431 3.817 30 40 FHEB C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078844 HBWPLDSXDWTMAP-UHFFFAOYSA-N 354.837 3.849 30 40 FHEB O=c1c2ccccc2nc(N/N=C/c2ccccc2O)n1-c1ccccc1 4322240 YOFALMLXFIWTON-HYARGMPZSA-N 356.385 3.537 30 40 FHEB C=CCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OCC 5568801 QITGLCPMVVVTPR-XSFVSMFZSA-N 355.463 3.971 30 40 FHEB COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc(OC)c1OC 3911099 WXLMNQGCYDYAER-CMDGGOBGSA-N 366.369 3.715 30 40 FHEB N#Cc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 11371595 RRZDOBMBHHJNGQ-UHFFFAOYSA-N 357.207 3.922 30 40 FHEB Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1C 4849103 QZSMQGHVCXASOW-UHFFFAOYSA-N 351.431 3.725 30 40 FHEB CCOC(=O)c1ccc(NC(=O)CO/N=C/c2ccc(Cl)cc2)cc1 2663884 XSRYHSPQFPMJOR-RGVLZGJSSA-N 360.797 3.506 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 2776328 SSMZOAGTGRHGMJ-IBGZPJMESA-N 369.461 3.949 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](/C(O)=N/c3ncn[nH]3)[C@H]2c2cccs2)cc1 23141093 AFJHKUXJNWUGHS-BBRMVZONSA-N 367.434 3.557 30 40 FHEB CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2F)c(OC)c1 12374199 RJQCZJQXKUGSLB-NHDPSOOVSA-N 361.442 3.643 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107904157 SZUXHYIDXWMGHZ-KDWLLMAHSA-N 371.300 3.540 30 40 FHEB C=CCn1c(SCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2334969 XDGYNYBHAVUCHV-UHFFFAOYSA-N 350.509 3.997 30 40 FHEB CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409046035 QZVOXTQKMWGZTL-YXSASFKJSA-N 362.245 3.808 30 40 FHEB CCCN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4554670 KBDLEZYQTZFKRY-PCYTUBISSA-N 361.441 3.860 30 40 FHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1 409098850 QSFLVVDUXVMYGC-WSDLNYQXSA-N 360.377 3.715 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccccc2)cc1 409347095 OKLZOTTXPOOUHE-UHFFFAOYSA-N 371.396 3.563 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224998661 XWKUUWDCZRJTRQ-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB Cc1cncc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c1 585295025 YHCNSHNXLWFVQI-FQEVSTJZSA-N 371.448 3.527 30 40 FHEB N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 97001612 FIPZBMYOSQNAJB-LBPRGKRZSA-N 358.279 3.640 30 40 FHEB COc1ccc(OC)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1 2193637 QNZBZVMAPWLCME-MHWRWJLKSA-N 358.394 3.735 30 40 FHEB CC1(C)CC(=O)C(C(=O)Cc2ccccc2)=C(NCCCCCC(=O)O)C1 18193007 BWAQSWYGUWFHOW-UHFFFAOYSA-N 371.477 3.676 30 40 FHEB COc1ccc(C(=O)Oc2c(Br)cc(C#N)cc2OC)cc1 153117622 UUQTYAUIPNODLJ-UHFFFAOYSA-N 362.179 3.557 30 40 FHEB CCc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594255 YWBDWUOXXMRSOS-AWEZNQCLSA-N 352.360 3.842 30 40 FHEB O=[N+]([O-])c1ccc(COc2ccc(/C=N\O)cc2Br)cc1 100250184 GEHVDAZBPXNQDZ-PXNMLYILSA-N 351.156 3.744 30 40 FHEB C=CCOc1c(Cl)cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 6274889 MODVAHYVWAMINN-UHFFFAOYSA-N 359.813 3.695 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 6882921 ASHPZTXLLGDLSA-QGMBQPNBSA-N 354.244 3.968 30 40 FHEB C=C(Cl)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 22988053 AVSRGJOWNJBTGN-UHFFFAOYSA-N 358.777 3.598 30 40 FHEB Cc1ccc(S(=O)(=O)OCC2CCN(Cc3ccccc3)CC2)cc1 83321030 BDHYVCAYYBHNBW-UHFFFAOYSA-N 359.491 3.613 30 40 FHEB N#Cc1ncccc1N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776001150 BGOOESIXIVSVAZ-CYBMUJFWSA-N 362.355 3.662 30 40 FHEB N#Cc1cccnc1NCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 64026240 QLQYFSDUFKPLQQ-UHFFFAOYSA-N 371.853 3.505 30 40 FHEB C#CCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(F)ccc21 100987578 ZQRSDHAJUSGJPN-XDOYNYLZSA-N 352.434 3.762 30 40 FHEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 100765816 VWHFHYGWOAPWOB-NHCUHLMSSA-N 365.448 3.852 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 47642553 SDCCTDRINQFXQD-IFXJQAMLSA-N 368.481 3.721 30 40 FHEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2n1 3134425 HJKSIPKXGWOSBM-CYBMUJFWSA-N 368.441 3.563 30 40 FHEB in-vitro COc1ccccc1[C@H](CNc1oc(-c2ccccc2)nc1C#N)N(C)C 27562409 FKJYRWYABBIAFX-SFHVURJKSA-N 362.433 3.937 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1 17084619 KICODGCXMQXREA-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1C 8265563 OCGKCBSBFIUNNO-HNNXBMFYSA-N 367.836 3.820 30 40 FHEB Cn1c(=O)cc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 4833787 KVFMDLHCRGIFOU-VXLYETTFSA-N 356.769 3.546 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(Cl)cc1Cl 18196076 JWKGTDXLANOKHN-CQSZACIVSA-N 364.236 3.638 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 19854747 IAAIUGODCUHJCO-IBGZPJMESA-N 354.450 3.639 30 40 FHEB CC(C)CC1(/C(O)=N/S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 79094521 OCGIQFOROMNMHM-UHFFFAOYSA-N 354.428 3.598 30 40 FHEB COc1cc(/C=N/O)c(Br)cc1OCc1ccccc1C#N 33738008 CGXPBVKXWRQSDS-DJKKODMXSA-N 361.195 3.716 30 40 FHEB N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)O)C3)cc2)c1 263501127 SZBDVEKGQVLOBM-OAHLLOKOSA-N 365.389 3.679 30 40 FHEB N#Cc1cccnc1N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532070 MNWAODQYUNVCIX-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB CN(C)CCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N 2405544 DSWJVWIYKYYRPS-UHFFFAOYSA-N 362.433 3.766 30 40 FHEB C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886324 NPFKMQLABVLIQM-FQEVSTJZSA-N 350.418 3.989 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c(C)c1 12447094 MVULDTPTSYKQIO-INIZCTEOSA-N 359.495 3.552 30 40 FHEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccncc1 1105676 GKASPBXQMGBJPS-LCYFTJDESA-N 360.236 3.736 30 40 FHEB CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N(CC)CC 35166659 DZADBAPGZGILAQ-BKUYFWCQSA-N 365.783 3.989 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)N(C)C)o2)cc1 27991193 JZFRDJGGBPQWMD-LJQANCHMSA-N 362.433 3.937 30 40 FHEB Cc1ccc(CN(C)C(=O)CCc2c(C)nn(CCC#N)c2C)c(C)c1 25600063 ZIVRXGOBROUAFG-UHFFFAOYSA-N 352.482 3.622 30 40 FHEB COc1ccc(N/C(=C\C(=O)C(F)(F)F)c2ccncc2)cc1OC 408739703 ZUDNCEGPAUMNPD-RAXLEYEMSA-N 352.312 3.683 30 40 FHEB CO/N=C(\C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 5527006 RCMXYUDOJZCSBP-OOPWQZCMSA-N 351.855 3.648 30 40 FHEB Cc1cccc(COc2ccc(/C=N\N3C(=O)CSC3=S)cc2)c1 409338022 BQNDBWXIQKGIOG-GRSHGNNSSA-N 356.472 3.768 30 40 FHEB COC(=O)c1ccc(/C=N/O[C@@H](C)C(=O)Nc2ccccc2SC)cc1 32899815 YTNSVQLQLGBSBR-DZUMZMOTSA-N 372.446 3.573 30 40 FHEB C=CCOc1cccc(NC(=S)NCc2nc(-c3cccs3)no2)c1 225827624 ZUZIYQXFQKEVRV-UHFFFAOYSA-N 372.475 3.850 30 40 FHEB C=C(C)Cn1nc(C)c(CN2CCCN(Cc3cccc(F)c3)CC2)c1C 19577994 YOTIJMAPLIPAML-UHFFFAOYSA-N 370.516 3.923 30 40 FHEB CC/N=C1\S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC 15985681 PBLPJDPIGBTGLS-FMPUCSDASA-N 354.859 3.669 30 40 FHEB N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3ccsc3)s2)c1 207964416 ZHHKLJQIXVFYJU-QGZVFWFLSA-N 354.456 3.693 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@H]2CC(=O)c3[nH]c4ccccc4c3C2)cc1 4982812 YYHFFDVPTQFQHC-CQSZACIVSA-N 369.442 3.627 30 40 FHEB Cc1sc(NC(=O)CCNC(=O)c2ccccc2Cl)c(C#N)c1C 20836562 GDQFEVHCUNFZLR-UHFFFAOYSA-N 361.854 3.649 30 40 FHEB Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1 859205 KWDOKIPEOQXMIR-UHFFFAOYSA-N 366.398 3.908 30 40 FHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)cn1 101603780 AWAHEPABJXJFGJ-HLJJYEPSSA-N 371.510 3.665 30 40 FHEB N#Cc1ccc(OCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 12620306 YUCCNUKRUGOTRB-MRXNPFEDSA-N 358.850 3.944 30 40 FHEB N#Cc1c(NC=C2C(=O)OC3(CCCCC3)OC2=O)sc2c1CCCC2 2210322 DNXGLXOWJYWITB-UHFFFAOYSA-N 372.446 3.555 30 40 FHEB Cc1cc(C)c(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1C 7712998 QQXKTISGHIUPDT-DHZHZOJOSA-N 351.446 3.975 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(C(=O)O)cc1)c1cc3c(cc1N2)OCO3 18199500 VLIWCTLNVCKEDU-IBGZPJMESA-N 363.369 3.678 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8743662 XOMIKTJMVYGCFX-XTZNXHDOSA-N 368.343 3.565 30 40 FHEB COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1sccc1C#N 8919105 GURQDUSIZDVAHK-NSHDSACASA-N 363.870 3.741 30 40 FHEB Cn1cc(C(=O)OC[C@H](C#N)Cc2cccs2)c(-c2cccs2)n1 89299178 DXYYZQQAAVMXPM-LBPRGKRZSA-N 357.460 3.749 30 40 FHEB O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc(Br)c1 20987337 LYCZHRJWXUDQKH-LCYFTJDESA-N 351.269 3.952 30 40 FHEB COc1ccc2ccc(=O)oc2c1C(=O)C(OC(=O)C=C(C)C)=C(C)C 1077991938 VALIYXXMXXVKDP-UHFFFAOYSA-N 356.374 3.788 30 40 FHEB biogenic CN(C)N1C(=O)C[C@@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1430123 OPOMNMKPKBTHEG-SJORKVTESA-N 366.486 3.941 30 40 FHEB COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(OC)c1OC 1084623 VHEYLBPWTNNRIV-LBPRGKRZSA-N 368.414 3.812 30 40 FHEB Cc1cccc(C)c1NC(=S)N/N=C/c1c(C)nc2scc(C)n12 7007985 MQNBXLPKPFTXNC-QGMBQPNBSA-N 357.508 3.950 30 40 FHEB Cc1cc(C)n(/N=C/c2ccccc2OCc2ccccc2)c(=O)c1C#N 672441 OKPAUHDEFYFYDQ-ZVHZXABRSA-N 357.413 3.798 30 40 FHEB CCN(C[C@H]1CCOC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 56982638 ANXPZZZNWADQJE-QGZVFWFLSA-N 364.445 3.636 30 40 FHEB Cc1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C#N)c1C 2181078 AFEHSRIGVLHMLA-UHFFFAOYSA-N 360.420 3.610 30 40 FHEB N#Cc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2 3323624 IMRGKRQZYMYEHL-UHFFFAOYSA-N 363.486 3.836 30 40 FHEB Cc1ccc(CN2CCN(/N=C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 28350807 PXQDVFXXMVKPRB-BAEPCCQGSA-N 364.449 3.720 30 40 FHEB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1Cl 8218544 MNSFQXRZWKZAKF-CQSZACIVSA-N 353.809 3.512 30 40 FHEB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 14135049 HIJKWWMTWXHLPF-SFHVURJKSA-N 374.227 3.832 30 40 FHEB N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571321 UONGRVDIMIYQAK-CYBMUJFWSA-N 363.870 3.625 30 40 FHEB N#Cc1c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)nc2ccccn12 542974082 OTVRYYDBLKTSEP-UHFFFAOYSA-N 371.488 3.698 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(C)(=O)=O 33560659 IOYPUFHCWGGRTB-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083807010 OSIMQFPTUDKDPH-UHFFFAOYSA-N 358.147 3.753 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 13535734 TUGZBJLXSWEOBG-BBATYDOGSA-N 366.808 3.940 30 40 FHEB CCOc1cc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1O 19790566 GSMSHLLKVKVLLZ-HMAPJEAMSA-N 373.884 3.596 30 40 FHEB C=CCOC(=O)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 226317569 BQLOVIIUVDRKBC-UHFFFAOYSA-N 369.373 3.863 30 40 FHEB C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])C1 4895547 JKVYIZSBBXWJHC-AWEZNQCLSA-N 364.405 3.955 30 40 FHEB N#CCc1ccc(NC(=O)c2cccc(I)c2)cc1 8062169 ZFIVHBLEUCLXKE-UHFFFAOYSA-N 362.170 3.610 30 40 FHEB Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc(C)n1 24568965 ITFLJYXQDRDZLE-JTQLQIEISA-N 372.519 3.882 30 40 FHEB Cc1cc(C)c2nc(SCC(=O)Nc3cc(C)on3)c(C#N)cc2c1 4849168 HKWBFHAZJZZNBW-UHFFFAOYSA-N 352.419 3.751 30 40 FHEB C=CCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ncccn1 20719924 SLJWGISPWAQIPC-HNNXBMFYSA-N 361.405 3.659 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8049351 MSLUOVDPNFYSAF-MRXNPFEDSA-N 352.434 3.625 30 40 FHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSC(=S)N2CCCC2)c1 8075499 AHDCJNPEPIUPLU-UHFFFAOYSA-N 361.536 3.664 30 40 FHEB CN1N=C(c2ccc3c(c2)OCCCO3)CS/C1=N\Cc1ccccc1 102871053 ISZNVRUIBNJBHH-MRCUWXFGSA-N 367.474 3.787 30 40 FHEB C/C=C/c1ccc(OCC(=O)N(C)Cc2cccc(C#N)c2)c(OC)c1 25101325 FAXXKPQSEGZZAC-GQCTYLIASA-N 350.418 3.637 30 40 FHEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 12462813 YCVJINLTCYZHHM-UFIXSJTLSA-N 371.437 3.724 30 40 FHEB COc1ccc(-c2nnc(SCC#N)n2CCc2ccccc2)cc1 3318161 CCRMGCRKSDKKMC-UHFFFAOYSA-N 350.447 3.812 30 40 FHEB N#Cc1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)OCCO2 3527881 BWNBZLKMRIBANQ-UHFFFAOYSA-N 366.398 3.806 30 40 FHEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 4331378 QVRFIRMWDIHYJU-CQSZACIVSA-N 366.490 3.981 30 40 FHEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5254270 SGHDEGAUPKRNML-PXNMLYILSA-N 359.175 3.991 30 40 FHEB biogenic C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6882214 FXERTECWEPGMKG-BBRMVZONSA-N 367.836 3.760 30 40 FHEB Cc1cc(NC(=O)CSc2ncccc2C#N)ccc1Br 7051449 KLDDHCCUPGZNSG-UHFFFAOYSA-N 362.252 3.755 30 40 FHEB CC(C)(C)C(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 12219829 HIPLUJPIRISZBI-UHFFFAOYSA-N 367.493 3.647 30 40 FHEB Cc1n[nH]c2c1C1=C(C(=O)CCC1(C)C)[C@H](c1ccc([N+](=O)[O-])cc1)N2 16265962 CVVNLWCKSAPBLF-KRWDZBQOSA-N 352.394 3.936 30 40 FHEB Oc1ccc(Cl)cc1/C=N\NC(=S)Nc1cccc2cccnc12 4822770 MNJZHGWJTKDZKT-JMIUGGIZSA-N 356.838 3.914 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@H]1c1cccs1)c1ccccc1F 20947918 WPNDZFVLPSIQOZ-KRWDZBQOSA-N 357.454 3.971 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)c2ccccc2C1=O 660924 XQQIQKBGURCLCQ-UHFFFAOYSA-N 363.413 3.767 30 40 FHEB CCN(C(=O)CSc1nc2ccccc2n1CCC#N)C1=CCCC1 7738379 MLAVWVCWDHJMOG-UHFFFAOYSA-N 354.479 3.958 30 40 FHEB COc1cccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 13769628 KHQPNAJWOPEPJI-UHFFFAOYSA-N 367.856 3.934 30 40 FHEB C=CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2s1 14093030 HBCTYXPAVNSFLR-UHFFFAOYSA-N 372.471 3.533 30 40 FHEB C=CCSc1nnc(NC(=O)c2cccc(Br)c2)s1 6736080 KUAHLKWKRFCWEB-UHFFFAOYSA-N 356.270 3.831 30 40 FHEB C=CCn1c([C@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S 5901837 IQYBKUYVPADGMM-CYBMUJFWSA-N 350.875 3.907 30 40 FHEB C=CCc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1OC 224939760 ARXXXTLUANBBGL-UHFFFAOYSA-N 365.473 3.902 30 40 FHEB Cc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 101362426 QKGAOKCPXBHOEK-UHFFFAOYSA-N 355.397 3.766 30 40 FHEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\C3CCCCC3)NC2=O)c1 4980143 YDMXQWWQMIQPKB-MRXNPFEDSA-N 359.495 3.552 30 40 FHEB N#CC1(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCCC1 8157134 LZZHGKXVYTTWAM-HXUWFJFHSA-N 365.502 3.648 30 40 FHEB C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 3041377 DHBOQYMFWYGCKV-UHFFFAOYSA-N 371.651 3.773 30 40 FHEB COc1cccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1O 105287580 APTXHELHEANTKV-NTEUORMPSA-N 360.822 3.946 30 40 FHEB CC(C)[C@@H](NC(=O)CO/N=C/c1ccc(N(C)C)cc1)c1cccs1 10901924 RJPSTGXUIIEEKQ-FUNKKEAFSA-N 359.495 3.678 30 40 FHEB Cn1c(N/N=C/c2cc3c(cc2Br)OCO3)nc2ccccc21 408671548 ZAUOQZIDLGUAPH-QGMBQPNBSA-N 373.210 3.511 30 40 FHEB O=C1C(=Cc2ccc([N+](=O)[O-])cc2Br)C(=O)c2ccccc21 409391671 KMOIQMHSIYGVKX-UHFFFAOYSA-N 358.147 3.820 30 40 FHEB N#Cc1cc2c(nc1SCCCn1c(=O)[nH]c3ccccc31)CCCC2 8783636 OIPLPBDFWMUAGR-UHFFFAOYSA-N 364.474 3.657 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409058504 PCQKRDSSSCVYGI-ZROIWOOFSA-N 365.838 3.805 30 40 FHEB Cc1ccccc1Cn1nc(OCc2ccc(Cl)cc2)c(C#N)c1N 225844516 PPNKWUHVCSHDQZ-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB N#Cc1ccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)nc1 90607640 YHVNPPTYXFSYIN-UHFFFAOYSA-N 367.474 3.505 30 40 FHEB CCOc1c(Br)cc(/C=C2/Cn3cccc3C2=O)cc1OC 96941987 JTOVXEHMPWZGBA-GHXNOFRVSA-N 362.223 3.938 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 16008275 MITKFSKFIUVVRT-SECBINFHSA-N 355.872 3.876 30 40 FHEB CCOC(=O)c1ccc(N/N=C(\C#N)c2nc3ccccc3s2)cc1 4812659 LLEXNBXMNAGJKA-PXLXIMEGSA-N 350.403 3.813 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cccc(OCC)c21 100909883 OESWRPMNNFUPQK-VZCXRCSSSA-N 354.406 3.615 30 40 FHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 32559448 WQZOFLRECJYNJI-WMLDXEAASA-N 358.511 3.911 30 40 FHEB C=CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCCC3 2236502 GPMUBTYWMMKIBT-UHFFFAOYSA-N 372.877 3.932 30 40 FHEB Cc1c(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C#N)cc1[N+](=O)[O-] 48275914 JKAJRLLSJMABSK-LBPRGKRZSA-N 350.378 3.833 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3Cl)c3n2CCC3)cc1 16956719 LHYUSBMPPHEDLC-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB CN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N\c1nccs1 13733272 NPHGJEWQCRKTHB-SQHGGUCHSA-N 352.444 3.925 30 40 FHEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 17073034 TZGWKTSSVXOLLE-DOXJHMMXSA-N 352.415 3.927 30 40 FHEB Cc1cc(-n2c(C)cc(/C=N/O)c2C)ccc1I 15768943 NWWSKVHXCQFWDM-LZYBPNLTSA-N 354.191 3.815 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(C)=O)c(SC)c1 43242000 BZFATVKVDRWILC-UHFFFAOYSA-N 370.430 3.509 30 40 FHEB COC(C)(C)CCC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 95346026 UBZDIWVELVGWPC-IRLDBZIGSA-N 358.526 3.958 30 40 FHEB biogenic N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 711965 LFORJRKNHYKNNT-UFWORHAWSA-N 355.375 3.886 30 40 FHEB CC(=O)N[C@H](C)c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1 12685834 WSKZQWLAROPZQN-CYBMUJFWSA-N 358.511 3.613 30 40 FHEB CC(C)CCO[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 58130910 PDWLMUSJUARUFS-GFCCVEGCSA-N 358.360 3.889 30 40 FHEB N#Cc1ccc(F)c(COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 10539345 MPLOHSLDQKJRDU-UHFFFAOYSA-N 361.372 3.677 30 40 FHEB CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 8322334 ZEWCFFIKCYJDLI-DHZHZOJOSA-N 369.364 3.510 30 40 FHEB C=CCn1c(NCc2cc(OC)c(OC)c(OC)c2)nc2ccccc21 6160493 SQDBZHWPQQSBOO-UHFFFAOYSA-N 353.422 3.860 30 40 FHEB N/C(=N/[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 4530352 PMPFWKPYRXLKHP-HNNXBMFYSA-N 370.667 3.518 30 40 FHEB CC(C)/N=C(/N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 75126055 XJEUADZLKOFKOS-KRWDZBQOSA-N 355.507 3.856 30 40 FHEB C=CCSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 36353748 AAPCFOZDORIWRK-UHFFFAOYSA-N 358.444 3.513 30 40 FHEB C=CCOC(=O)c1ccc2oc(-c3cncc(Br)c3)nc2c1 73634101 BATXNKWFEYIJQU-UHFFFAOYSA-N 359.179 3.995 30 40 FHEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408576541 XQFULOPDXJELFC-QGZVFWFLSA-N 350.374 3.597 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 5671654 HWGFLFNJBRZAOC-WOJGMQOQSA-N 369.406 3.797 30 40 FHEB COc1ccc(-c2n[nH]cc2-c2cc(C(C)C)nc(N)c2C#N)cc1OC 67881586 YRIUPCKPOBASNR-UHFFFAOYSA-N 363.421 3.733 30 40 FHEB COCCOC(=O)Nc1cccc(NCC#Cc2ccc(Cl)cc2)c1 75105181 DWBVYYDLFQDALM-UHFFFAOYSA-N 358.825 3.999 30 40 FHEB C=CCOc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 65091147 CKKIWEDPXDUPOL-UHFFFAOYSA-N 355.434 3.631 30 40 FHEB Cc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 408692800 VSUIDZWDTOEGGD-WEVVVXLNSA-N 352.390 3.636 30 40 FHEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224592720 WGQPNDBNSZFXHL-UHFFFAOYSA-N 361.463 3.784 30 40 FHEB CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 250442798 DOVSJEXORMUUSC-YBSAJQQWSA-N 361.445 3.501 30 40 FHEB CSc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 3285611 HOHKRQIURTWDBU-KEBDBYFISA-N 355.488 3.941 30 40 FHEB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119702 HIMCEPMQQGXSHH-TYZQSYOASA-N 362.351 3.888 30 40 FHEB CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](C)CC1=O)N2 22608285 FULOESUDTYECLY-BJOHPYRUSA-N 360.870 3.921 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 20624570 JCJZLQUAMDPSAP-UNOMPAQXSA-N 351.402 3.613 30 40 FHEB C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OCC 6870254 BPHLXDNYVPSVHN-UHFFFAOYSA-N 371.437 3.760 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C1/C[C@H]2CC=C[C@@H]12 32699315 XHPDWJSGYWOSEX-ZEEXZVCYSA-N 356.260 3.886 30 40 FHEB CC(C)c1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@H]4N3)C(=O)C2)cc1 9287842 SUJSWQVDAGXBGU-AYHJJNSGSA-N 352.478 3.541 30 40 FHEB C[C@H](OCc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 32942812 QBYUYUHPCLBCNX-HNNXBMFYSA-N 361.363 3.778 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 32915680 JSHNRVARZNNLTE-UHFFFAOYSA-N 359.385 3.550 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccccc2)no1 102804967 WOBQVFUSKVFRSL-UYTDBDHRSA-N 366.398 3.671 30 40 FHEB CCn1c(CC/N=C(\O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721398 IWFLXKGOLQELPW-UHFFFAOYSA-N 353.422 3.621 30 40 FHEB N#Cc1ccc(-n2cccc2)c(CS(=O)(=O)c2ccc(Cl)cc2)c1 1403416 FJZWUCRUBQBSDL-UHFFFAOYSA-N 356.834 3.976 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1ccccc1 3291502 JBKZKTLSGIDNID-UHFFFAOYSA-N 369.837 3.523 30 40 FHEB CC[C@H](C)n1c(SCC(=O)N(C)C(C)(C)C#N)nnc1-c1ccccc1 58249789 MUXYNCVMCGFRGE-AWEZNQCLSA-N 371.510 3.769 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)cc1OC 12862973 VSIDDMBUUJYJEQ-GRSHGNNSSA-N 366.369 3.635 30 40 FHEB biogenic C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 13881350 JZWLOTFNYMREPA-GHRIWEEISA-N 371.458 3.882 30 40 FHEB N#Cc1cccc(CN(c2ccccc2)S(=O)(=O)c2cccc(C#N)c2)c1 14196426 LNQLWJIPFJJOCK-UHFFFAOYSA-N 373.437 3.825 30 40 FHEB Cc1nn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(=O)c(C#N)c1C 7441906 RZKGMOPOQGJJKL-UHFFFAOYSA-N 366.465 3.617 30 40 FHEB O=c1[nH]c(N/N=C/c2ccncc2)nc2c1C1(CCCC1)Cc1ccccc1-2 8771884 BSYRAHJTWSBQAU-ZVHZXABRSA-N 371.444 3.646 30 40 FHEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC#N 408983427 BQZQGNRCIMYKPL-UHFFFAOYSA-N 356.385 3.611 30 40 FHEB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@](C)(C#N)C1CC1 8231626 PRBBOKFVRPWQCE-SFHVURJKSA-N 374.897 3.735 30 40 FHEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1cncn1 79143169 PIIAQEFWEWSHRV-RYUDHWBXSA-N 357.483 3.562 30 40 FHEB C[C@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225859180 FWMXIQLSCWADHC-AWEZNQCLSA-N 370.884 3.587 30 40 FHEB COc1cccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)c1 225840666 NVNHHDZGEMTSHR-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)o1 18200457 UWXSBQZRZHAZTC-HWPZZCPQSA-N 351.362 3.568 30 40 FHEB CN/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 101079433 YIIZNABWNNMZSN-OAHLLOKOSA-N 373.865 3.612 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 4997994 DTVJESCKHROLOR-SDNWHVSQSA-N 353.399 3.503 30 40 FHEB O=C1C=C(Sc2ccccc2)C(=O)C=C1Nc1ccc(C(=O)O)cc1 101528789 JHMIWPWTNJVJMO-UHFFFAOYSA-N 351.383 3.509 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 7562482 PKAWVJVBEQYAFZ-UHFFFAOYSA-N 372.421 3.753 30 40 FHEB N#Cc1ccc(COC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 3339894 IQACHFINISKXMP-UHFFFAOYSA-N 361.401 3.659 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409129206 RDRUIYRUNULVFQ-UKTHLTGXSA-N 373.752 3.587 30 40 FHEB C[C@@H](Sc1ccc(Cl)cc1)C(=O)O/N=C(\N)c1ccc(F)cc1 8986417 AZFVUDNJYOJGNN-SNVBAGLBSA-N 352.818 3.823 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)C1=C(N2)c2ccccc2C1=O 8973586 XSLCJNBVGDBGBE-LJQANCHMSA-N 371.392 3.717 30 40 FHEB N#Cc1ccc(CN2CCCN(CCCc3ccccc3)CC2)c(F)c1 95347315 PEJRHGXBNDWSTE-UHFFFAOYSA-N 351.469 3.838 30 40 FHEB Cc1csc([C@@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 78992805 RCAANTLRYVNFGW-GFCCVEGCSA-N 367.396 3.882 30 40 FHEB C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 331623576 YCYWCJQSDJNDAH-YOEHRIQHSA-N 350.459 3.622 30 40 FHEB CCOc1ccccc1-n1nc(C#N)c(N2CC[C@H](c3ccccc3)C2)n1 256047801 OUHGMNURECQVRX-KRWDZBQOSA-N 359.433 3.532 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 16740788 HFJOKPMIEQKBTM-CYBMUJFWSA-N 368.746 3.972 30 40 FHEB COc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1OC 6490736 NSRYBOAPNWOZKT-BSYVCWPDSA-N 362.385 3.708 30 40 FHEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC 4350015 IOCDDIXQYPIUNC-WDZFZDKYSA-N 354.200 3.563 30 40 FHEB O=C(CSc1nncs1)Nc1cccc(C#Cc2cccs2)c1 40153473 ZMAFBFWBTGJJEN-UHFFFAOYSA-N 357.485 3.730 30 40 FHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1 4538231 QVDKFNJBEBEKPD-KRWDZBQOSA-N 350.418 3.592 30 40 FHEB Cc1csc([C@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)n1 41517606 OXQZCGZMJWVRAZ-CQSZACIVSA-N 356.838 3.840 30 40 FHEB Cc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 100233608 TZGWKTSSVXOLLE-KERPIWHLSA-N 352.415 3.927 30 40 FHEB Cc1noc(C)c1N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 81602296 XMRJEGSJGJPBJQ-UHFFFAOYSA-N 358.467 3.568 30 40 FHEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)OC(C)=O)C3 1558484 AWMHMGFGCLBSAY-SFHVURJKSA-N 356.418 3.902 30 40 FHEB endogenous,in-man CCCc1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 20636027 SDLSZQLVQLSFEX-UHFFFAOYSA-N 356.227 3.565 30 40 FHEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccccc2-n2cccn2)cs1 58179679 RAEFVYAEFBGASF-MDZDMXLPSA-N 366.446 3.598 30 40 FHEB O=S(=O)(/N=C(\O)c1cccc2cn[nH]c12)c1cc(Cl)ccc1Cl 48409151 QIDUCRAQMVIGHZ-UHFFFAOYSA-N 370.217 3.563 30 40 FHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2cc(Cl)ccc21 5429217 ZZGQHBUDRJGRJI-SFHVURJKSA-N 361.850 3.703 30 40 FHEB C[C@@](C#N)(NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 83862118 RGYOVCWGKROJLT-SFHVURJKSA-N 358.467 3.709 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1 22926736 CRBMORRHRYBCDS-HXUWFJFHSA-N 352.482 3.556 30 40 FHEB N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)O)C3)cc2)c1 263501125 SZBDVEKGQVLOBM-HNNXBMFYSA-N 365.389 3.679 30 40 FHEB C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])CC1 1775994847 IWVKHCOZQGCTAI-QAQDUYKDSA-N 372.469 3.906 30 40 FHEB COc1ccc(-c2csc(C3=C(N)N(c4ccccc4)CC3=O)n2)cc1 13570620 IMVZWDCXALPTEY-UHFFFAOYSA-N 363.442 3.535 30 40 FHEB CCN(CC)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] 226362698 IRGABMSWIHIVRO-UHFFFAOYSA-N 362.389 3.956 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2ccccc2OCC)c(O)c2ccccc21 12414627 IXDCMPOTRYLHOJ-UHFFFAOYSA-N 364.401 3.544 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1 13570294 GGOVDAMAXPTSJO-SFHVURJKSA-N 369.417 3.511 30 40 FHEB Cc1ccc(S(=O)(=O)N(C[C@H]2CO2)c2cccc3ccccc23)cc1 864113 SPACVELASPQXOA-KRWDZBQOSA-N 353.443 3.742 30 40 FHEB Cc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 7702493 ZCWOENPIRWBCTI-LJQANCHMSA-N 368.483 3.996 30 40 FHEB N#CCN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 58191851 DZYXDJLYTMRWJF-UHFFFAOYSA-N 369.881 3.657 30 40 FHEB CC(C)c1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1 5234059 AXWFYVTYRYVPQT-KOMLCTQHSA-N 351.475 3.974 30 40 FHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1 14141294 LMDDOKMTCNFXFR-GOSISDBHSA-N 357.816 3.502 30 40 FHEB N#CCCn1cc(C(=O)COc2ccc(-c3nnco3)cc2)c2ccccc21 6559291 NEYPHSZCRQIMPI-UHFFFAOYSA-N 372.384 3.867 30 40 FHEB COc1cc(/C=N/Nc2cccc(Cl)n2)cc(Br)c1O 4670517 JGOZFXRXKMTMPG-FRKPEAEDSA-N 356.607 3.658 30 40 FHEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)c1 67898781 UKFXYJRFSPVZIO-FQEVSTJZSA-N 362.408 3.661 30 40 FHEB biogenic,in-vitro Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccccc1F 409107520 WPRBMLLVFNYFTF-SRZZPIQSSA-N 353.357 3.982 30 40 FHEB COc1ccc(CNc2nnc(Sc3ccc(C#N)cn3)s2)cc1 37143057 HZXAMPYJMOULPF-UHFFFAOYSA-N 355.448 3.577 30 40 FHEB CC(=O)Oc1ccc(/C=C/C(=O)/C=C/c2ccc(OC(C)=O)cc2)cc1 75629359 JWPNGCSWZMKZRJ-LQIBPGRFSA-N 350.370 3.833 30 40 FHEB Cc1c(OCC(=O)Nc2ccccc2SCC#N)cccc1[N+](=O)[O-] 48355134 FEJVCENRBPYUMA-UHFFFAOYSA-N 357.391 3.536 30 40 FHEB COc1ccc(/N=C/c2c([Si](C)(C)C)nnn2-c2ccccc2)cc1 195794312 CABRRVVGROAHJT-XSFVSMFZSA-N 350.498 3.572 30 40 FHEB C[C@@H]1CN(/C(O)=N/C[C@H]2CCOc3ccccc32)Cc2ccccc2O1 330190213 MJBFYSJSWHNXSF-HZPDHXFCSA-N 352.434 3.750 30 40 FHEB Cc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2cccnc2)CC3)cc1F 72154284 PUPAEQJESUNYET-UHFFFAOYSA-N 373.435 3.603 30 40 FHEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)c1 9011870 JFTOEZDSPAASID-INIZCTEOSA-N 370.478 3.667 30 40 FHEB COc1ccc(C(=O)C[N+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F 2345405 GOJVNOUQXOSGCF-UHFFFAOYSA-N 353.417 3.701 30 40 FHEB N#Cc1ccc(/C=C/C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 33023422 AMRQMHSSCUBOAX-VAWYXSNFSA-N 351.494 3.876 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2954821 SFGGDMKVPUEGLD-XMHGGMMESA-N 373.434 3.520 30 40 FHEB O=S(=O)(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 1462160 RMSJOOGBQKUVOU-XDHOZWIPSA-N 360.822 3.912 30 40 FHEB Cc1c(/N=C/c2ccccc2OC(F)F)c(=O)n(-c2ccccc2)n1C 3189415 WSIGXUAHUVXQSK-WSDLNYQXSA-N 357.360 3.836 30 40 FHEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1 27794173 GJVGSUPDVHTYJU-KRWDZBQOSA-N 374.872 3.808 30 40 FHEB CC(C)n1nc(/C(O)=N/c2ccc([C@@H](C)O)cc2)c2ccccc2c1=O 12902258 AOHQYPKHNHIZKJ-CYBMUJFWSA-N 351.406 3.667 30 40 FHEB NC(=O)Cn1cc(/C=N/c2ccc(Br)cc2)c2ccccc21 409384838 FEKXFGFOAWTGAX-AWQFTUOYSA-N 356.223 3.640 30 40 FHEB Cc1ccccc1C/C(N)=N\OCC(=O)Nc1c(C)cccc1C(C)C 80291341 WKASWYOJKVCJKN-UHFFFAOYSA-N 353.466 3.897 30 40 FHEB COc1cc(C(=O)/C=C/c2cc(O)c(O)c(Cl)c2)cc(OC)c1OC 8705532 SZJWKDVWKKBRNR-SNAWJCMRSA-N 364.781 3.673 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 19990468 XTFOJEIEYGQEGL-INIZCTEOSA-N 365.351 3.846 30 40 FHEB Cc1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 409187520 RLLGTPVNOXGIAT-JAIQZWGSSA-N 356.378 3.984 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(OCC)cc1 408560517 JJUOTXWWBFVQDS-UHFFFAOYSA-N 374.510 3.936 30 40 FHEB N#CC1(CS(=O)(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCC1 574322353 OBIAUMCUOGIFBT-GOSISDBHSA-N 362.470 3.765 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225097378 YPQXQPOHRXWUFS-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB COc1cccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)c1OC 5006529 YYGVLLJMGZKBKL-GDNBJRDFSA-N 358.394 3.735 30 40 FHEB Cc1ccc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c(C)c1 4600442 MCWBGWQJMHWHIJ-WSDLNYQXSA-N 366.490 3.504 30 40 FHEB O=C1N/C(=N/c2ccc(Br)cc2)S[C@@H]1Cc1ccccc1 17178694 OHBYJNKFBMTCIY-CQSZACIVSA-N 361.264 3.911 30 40 FHEB CCOc1ccc(C/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 78768944 JMJLZXXNFWYVON-UHFFFAOYSA-N 353.827 3.627 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OCC 4997983 UEKRKKDFKZKDLV-SFQUDFHCSA-N 365.360 3.581 30 40 FHEB CCOc1ccc(-n2c(SCC#N)nnc2-c2ccccc2OC)cc1 3402148 QFBOVOLKAAJWIA-UHFFFAOYSA-N 366.446 3.957 30 40 FHEB N#Cc1c(Cl)nsc1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 68999841 CRFCCDQOMPWFNB-VIFPVBQESA-N 354.813 3.885 30 40 FHEB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C#N)c1 4548482 RPEIARUVXWARCQ-LLVKDONJSA-N 368.393 3.867 30 40 FHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 18197375 UYKUWYUJIRPQRY-ZMZPIMSZSA-N 366.421 3.894 30 40 FHEB C=CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1C 9482224 MCJKQUKQAGCAGA-UHFFFAOYSA-N 374.853 3.721 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Nc2ccccc2F)C1=O 97939413 OGXXUPLEVMUQCB-SFHVURJKSA-N 364.421 3.533 30 40 FHEB C=CCN1CCC[C@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19530049 XUCVLPVQZZMZCF-GHTZIAJQSA-N 374.456 3.540 30 40 FHEB C[C@](CC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)O)c1ccccc1 13254991 LZBYSIUXXZQCIL-HXUWFJFHSA-N 368.458 3.870 30 40 FHEB C#C[C@](C)(CC)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1074421 OUDLPQBJJLBHOG-HXUWFJFHSA-N 368.387 3.866 30 40 FHEB COc1ccccc1N1CCN(CC#C[C@]2(C)CCCC(C)(C)O2)CC1 19933970 FSPAZPKCGQNDDV-QFIPXVFZSA-N 356.510 3.558 30 40 FHEB C#CCOc1ccc(C(=S)N2CCC(C)CC2)cc1Br 6202743 MDTMKLBSPLHKFD-UHFFFAOYSA-N 352.297 3.869 30 40 FHEB O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1ccc([N+](=O)[O-])cc1 13382178 QUWPFRJENQJLLY-UHFFFAOYSA-N 358.377 3.685 30 40 FHEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13691270 AWNYBEBWRQYKBW-GRSHGNNSSA-N 360.369 3.643 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 14189014 FUATWWDGFCZYKD-UHFFFAOYSA-N 364.829 3.704 30 40 FHEB C#CCOc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OC 408591131 IRZFQQMYUBBJEC-WSDLNYQXSA-N 354.793 3.783 30 40 FHEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCCC1 226278996 PGLPAEIJOKGKMK-UHFFFAOYSA-N 370.371 3.545 30 40 FHEB Cn1cccc1/C=C1/S/C(=N\c2cccc(Br)c2)NC1=O 2435630 GHKCTKQDPPBXCX-UKTHLTGXSA-N 362.252 3.679 30 40 FHEB C=C(C)Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 16807861 ZFVBNUIHKXFVSK-UHFFFAOYSA-N 350.447 3.891 30 40 FHEB COc1ccc(-c2nc(NCc3ccccc3Cl)nc(O)c2C#N)cc1 40129959 RNGNYNXYPSFANM-UHFFFAOYSA-N 366.808 3.995 30 40 FHEB CN(C)C1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O 1710903 HCCTYXSBKHNNAF-UHFFFAOYSA-N 354.387 3.539 30 40 FHEB N#Cc1ccccc1COC(=O)c1ccc(OCc2cscn2)cc1 11503017 RKRZBRBPXPTAJL-UHFFFAOYSA-N 350.399 3.951 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 4902629 UVXWUJAVHGYHCK-ZDUSSCGKSA-N 370.434 3.906 30 40 FHEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc([N+](=O)[O-])cc1 101941001 PLSKTRVBXXUSOT-UDWIEESQSA-N 364.409 3.542 30 40 FHEB CN(Cc1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 21698884 NUYYYXSSTOBHPJ-JOCHJYFZSA-N 368.525 3.671 30 40 FHEB Cc1cccc2nc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cn12 46933689 CUDOMCSDNYOHPJ-UHFFFAOYSA-N 374.322 3.708 30 40 FHEB C#Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 12541935 ABCPXVOMDVYKFV-UHFFFAOYSA-N 350.237 3.540 30 40 FHEB C=CCc1ccc(OCC(=O)Nc2ccccc2CN(C)C)c(OC)c1 24643300 KGAFHLXDLIQJFB-UHFFFAOYSA-N 354.450 3.503 30 40 FHEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@]12F 118933051 ZVKKSLFHXTYQQE-UEMJLAFCSA-N 350.474 3.578 30 40 FHEB COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)c1 5583120 YFKQIAPAIVTESL-YVLHZVERSA-N 370.430 3.604 30 40 FHEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccc2N)C1=O 16193145 CWJOVIQYYFIOCM-QBFSEMIESA-N 362.385 3.568 30 40 FHEB C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1C1CC1 39975829 PLDXRUYLFGPGCA-AWEZNQCLSA-N 374.535 3.859 30 40 FHEB N#Cc1cccnc1OC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 96102846 NIUXFGYICBFHQL-BQYQJAHWSA-N 367.836 3.690 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 5399544 AGBDDUMZOKNEKY-UHFFFAOYSA-N 373.869 3.746 30 40 FHEB Cc1cccc(C(=O)N[C@H](C(=O)OCc2cc(C#N)ccc2F)C(C)C)c1 11763650 ZPKRHFKPBUCLJD-IBGZPJMESA-N 368.408 3.504 30 40 FHEB CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 25148854 BTBUGKSHFHROEG-UHFFFAOYSA-N 360.461 3.917 30 40 FHEB CC(C)n1ncc2cc(NC(=O)CSCc3ccc(C#N)cc3)cnc21 49620714 CDYLJDILKWKBFU-UHFFFAOYSA-N 365.462 3.756 30 40 FHEB CN1/C(=C\C(=O)COc2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 17511741 LDQQTSNLIWMABB-JMIUGGIZSA-N 351.402 3.675 30 40 FHEB aggregator Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1F 8744736 RXUUBURFZXFGFK-UHFFFAOYSA-N 367.380 3.541 30 40 FHEB CC(C)Nc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)s1 7698901 ZMAHXJBGBHPUQQ-UHFFFAOYSA-N 373.463 3.707 30 40 FHEB N#Cc1cccc(NC(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)c1 96002749 QFMFIRVRFDOERF-AWEZNQCLSA-N 363.343 3.516 30 40 FHEB COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc(Cl)c1O 96288904 VEBMCWXIGMHTFR-MDWZMJQESA-N 352.843 3.557 30 40 FHEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccccc2F)c2ccccc12 409373969 XIWJEVFHRQIHGG-FSJBWODESA-N 368.481 3.955 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 408731289 LOEJCNLWNZBOJC-GOSISDBHSA-N 351.362 3.729 30 40 FHEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]12C 253530019 UFEOMHFPJREVTP-OUVAMTEUSA-N 366.457 3.883 30 40 FHEB Cc1[nH]nc(O)c1[C@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N 5210447 MAQRSTLJWKUHEH-HXUWFJFHSA-N 358.401 3.798 30 40 FHEB N#Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1C#N 2570795 REFYBJOBGWSSOH-UHFFFAOYSA-N 358.188 3.980 30 40 FHEB C=CCn1c(-c2ccccc2)nn(CC(=O)NCc2ccccc2)c1=S 6856353 PZSOVHGKSVBKHA-UHFFFAOYSA-N 364.474 3.583 30 40 FHEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 29756873 AGJABFTWBOEBME-SECBINFHSA-N 350.205 3.853 30 40 FHEB N#Cc1cnn(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1N 3332174 NTZJTVWPJDLNAF-UHFFFAOYSA-N 368.849 3.971 30 40 FHEB NC(=O)COc1cccc(CON=C2c3ccccc3-c3ccccc32)c1 63886886 FARWEMHEFPTTEX-UHFFFAOYSA-N 358.397 3.500 30 40 FHEB O=C1C(=O)N2C(=C1C(=O)c1ccccc1)c1ccccc1CC21CCCC1 4594569 GDISBFMOMIYVEL-UHFFFAOYSA-N 357.409 3.561 30 40 FHEB Cc1cc(C)cc(N(CCC#N)C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 6627870 CRGJXDSUNCGYAP-UHFFFAOYSA-N 371.368 3.676 30 40 FHEB C=CCOc1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1OC 30643197 KXPJSEWUPMSFIW-OAQYLSRUSA-N 363.461 3.873 30 40 FHEB CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1ccccc1)[C@@H]1C(=O)NN=C1C 195533625 YQUYDXZBSKSRRB-GUDVDZBRSA-N 369.465 3.545 30 40 FHEB CCOC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576215 HJLWKGDZOZTKIS-SCSAIBSYSA-N 358.103 3.585 30 40 FHEB biogenic N#Cc1cc2cccnc2nc1N[C@H](CO)c1cccc(C(F)(F)F)c1 1187315356 JSJUTNRBDINVEM-OAHLLOKOSA-N 358.323 3.666 30 40 FHEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(O)c(O)c1 5376385 YLSQCLISZNTMIQ-NSIKDUERSA-N 364.785 3.782 30 40 FHEB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 5843971 QJGAABRWIKGZIU-QFIPXVFZSA-N 361.445 3.823 30 40 FHEB CCSc1nnc(/N=C(\O)NC(C)(C(F)(F)F)C(F)(F)F)s1 9329455 JXNXNDOMLRHESR-UHFFFAOYSA-N 368.328 3.669 30 40 FHEB biogenic CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 5967414 DOHVUBFOZRDMMX-AXLWCPOOSA-N 352.386 3.942 30 40 FHEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)C1 20517934 SXNUIQMUHDXGEA-VAODSVERSA-N 350.418 3.635 30 40 FHEB Cc1cccc2cc(C#N)c(NCCNC(=O)Nc3ccccc3F)nc12 4881241 GZIQXMDWGJVGQU-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818361 XNPGYHSGWLDFRE-KFSMSGCUSA-N 364.239 3.810 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCCC2 688344 ALOGTQYVQRGYDJ-UHFFFAOYSA-N 362.458 3.825 30 40 FHEB COc1cccc(C(=O)O/N=C2\C(=O)N(c3ccccc3)c3ccccc32)c1 1403280 PMIAJIFZFZPLGE-ATJXCDBQSA-N 372.380 3.935 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3F)CC2)nc1 25309769 WMXBMSBTQWGXFU-UHFFFAOYSA-N 358.804 3.601 30 40 FHEB C=CCN(C(=O)CCc1c(C)nn(C)c1C)c1nc2c(s1)CCCC2 25803270 DUMCJNIWAMXEBQ-UHFFFAOYSA-N 358.511 3.524 30 40 FHEB C=CCNc1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)s1 12613463 KXSQNVNEOGRQHW-GFCCVEGCSA-N 360.508 3.596 30 40 FHEB N#Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12897124 LTRFNRJZIHJRHA-UHFFFAOYSA-N 365.477 3.610 30 40 FHEB O=C1CC(c2cccs2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800842 ZVALOJASNWDYQO-UHFFFAOYSA-N 353.443 3.508 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(C)cccc2s1 13007259 YVRJXQLOPJZLCM-UHFFFAOYSA-N 367.478 3.903 30 40 FHEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/Cc2ccncc2)c1O)CCCC3 13119773 NARWFDHOCNXDML-SRZZPIQSSA-N 351.362 3.940 30 40 FHEB Cc1[nH]c2ccccc2c1/C(O)=N/S(=O)(=O)Nc1ccc(Cl)cc1 4050833 QMXFWKGGHQEDMZ-UHFFFAOYSA-N 363.826 3.791 30 40 FHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccncc1)c1ccccc1 4114958 FNPDHQWFCICVSC-HXUWFJFHSA-N 370.408 3.860 30 40 FHEB CO/N=C/NC(=O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 5209461 SHSTWGYTKCDLNS-CYBMUJFWSA-N 371.746 3.592 30 40 FHEB C=CCNc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 5783890 YJSPPVLCUVPNRS-VXGBXAGGSA-N 360.508 3.594 30 40 FHEB Cc1nn(CC(=O)c2ccc(C(C)C)cc2C(C)C)c(=O)c(C#N)c1C 7384955 JQGDVWGKJWFAFI-UHFFFAOYSA-N 351.450 3.862 30 40 FHEB Cn1ccnc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 9467784 LNCHTARQOIOCNE-KRWDZBQOSA-N 351.341 3.541 30 40 FHEB CCCCOc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 96305144 DHQZIWXCGYPSDR-SSZFMOIBSA-N 356.443 3.919 30 40 FHEB COC(=O)c1ccccc1/N=C\c1cc(Br)c(N(C)C)o1 408850938 GRTAKOOHIRUPHK-MFOYZWKCSA-N 351.200 3.645 30 40 FHEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C 409403863 JHVKNNKXHYNLLE-UHFFFAOYSA-N 356.429 3.901 30 40 FHEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 224729783 QNVPBLWXKMXCIV-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225004338 OUFIOQLYLJTUOI-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB OC(=Nc1ccc2nnc(C3CCC3)n2c1)C1CCN(CC(F)F)CC1 329377126 LWIZULZRCVQRKI-UHFFFAOYSA-N 363.412 3.562 30 40 FHEB N#CCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037760 IDHVFTIBCFJMQB-UHFFFAOYSA-N 371.444 3.666 30 40 FHEB Cc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585295050 YJGVISXODFCBLC-IBGZPJMESA-N 360.421 3.725 30 40 FHEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(CSC)cc1)NCC2 4085628 QACFFUCFXFLISO-PDGQHHTCSA-N 369.486 3.936 30 40 FHEB biogenic CCOc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1OCC 11341716 QSZXFRQEPQKUGZ-UHFFFAOYSA-N 355.390 3.591 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(O)c(OC)c2)S1 12032391 DPRZGZTWSCLSHE-GZTJUZNOSA-N 370.430 3.691 30 40 FHEB O=[N+]([O-])c1cc(/C=N/c2cc(Cl)ccc2O)ccc1N1CCOCC1 5331281 AGTJCNVOFGJKHR-YBFXNURJSA-N 361.785 3.541 30 40 FHEB C=CCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19911700 DOVPUTCHHCIOJE-GHRIWEEISA-N 358.463 3.731 30 40 FHEB CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2c(C)ccc(OC)c21 100908748 NXSRTERBRFNQPB-VZCXRCSSSA-N 351.431 3.653 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2c1 1354756 PIJFWEPWTBWLML-UHFFFAOYSA-N 355.463 3.610 30 40 FHEB C#CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(Cl)c21 100909905 KYSZHFHXQOAVAI-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB c1ccc(Nc2nc(NN=C3CCCCC3)nc(N3CCCC3)n2)cc1 1105189 PZQLWUQQYWQYLH-UHFFFAOYSA-N 351.458 3.947 30 40 FHEB COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2O)c([N+](=O)[O-])c1 12524414 GJMYZTQCUKZMQF-YBFXNURJSA-N 352.350 3.554 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C1=O 4115501 ZHFHWVUOXSCFCN-LDADJPATSA-N 364.445 3.753 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)c2cc(=O)oc3ccccc23)n1 5174242 OHWCMMSNMUXSSQ-UHFFFAOYSA-N 350.399 3.652 30 40 FHEB Cc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)s1 14020952 JTDUSTYJFHFUED-GFCCVEGCSA-N 354.460 3.938 30 40 FHEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14187952 FUYXQOPYKXXKMV-RQMBKDMJSA-N 360.413 3.706 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 5490556 RBPJPLWDPXAXBC-IBGZPJMESA-N 374.396 3.762 30 40 FHEB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(C#N)cc1)SCC(O)=N2 79477064 AUCUZPPEBDJHRH-SFHVURJKSA-N 361.430 3.872 30 40 FHEB CC[C@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 48344373 SUHYLVAIKLVIKW-HNNXBMFYSA-N 350.418 3.793 30 40 FHEB N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccco1)c1nc(O)c2ccc(Cl)cc2n1 84432086 KTXAHWMHSMZXBW-RWMBFGLXSA-N 353.765 3.562 30 40 FHEB CC[C@]1(C)NC(=O)N(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 3305640 HPJCWLNUAHOJHS-QVQQHXNLSA-N 372.856 3.802 30 40 FHEB CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCCC3)c2C1 20649711 SKQLFVJTMFGRDS-UHFFFAOYSA-N 364.518 3.834 30 40 FHEB CC(=O)Nc1ccc([C@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@H]23)cc1 4867342 FSGGLVGJQVCFIE-RLLQIKCJSA-N 353.418 3.504 30 40 FHEB CCN(CC)/C(=N/S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 11847491 RWQAZUZITNXJDO-HTXNQAPBSA-N 350.871 3.817 30 40 FHEB N#Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 7580548 MQFNNXASVAWGNL-UHFFFAOYSA-N 351.431 3.854 30 40 FHEB C=CCn1c(N)c(C(=O)N[C@H](C)c2ccccc2)c2nc3ccccc3nc21 2290366 VOZDADSJZDHJFL-CQSZACIVSA-N 371.444 3.844 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1 408624014 WKKAUWVQPIVGFS-UHFFFAOYSA-N 368.349 3.981 30 40 FHEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c(C)c1 12469606 IYXHRNXMLSJXPG-UNEBPCJRSA-N 367.474 3.894 30 40 FHEB C=CCN1CCC[C@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1 19530069 IKDMKALNULPKOB-IIBYNOLFSA-N 374.456 3.540 30 40 FHEB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119717 PGJWZVCOJUZJGK-XOVSCCBYSA-N 360.763 3.696 30 40 FHEB C[C@]12CN(C(=O)c3ccccc3Br)[C@]3(C#N)C[C@@H]1CC[C@]23C 100920916 CVHMQGJZIHCCGG-BIMQEMHKSA-N 359.267 3.994 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 3082322 PVCGMZDEZYIOOS-LJQANCHMSA-N 369.461 3.862 30 40 FHEB COc1c2c(cc3c1[C@@H](C/C(=N\O)c1ccc(C)cc1)N(C)CC3)OCO2 20113168 MVDDOMAAIMLAQN-FIOICXDGSA-N 368.433 3.530 30 40 FHEB COc1ccc(C(=O)C[C@@H](C#N)c2ccc(OC)c(OC)c2)cc1OC 2124355 KNSUGJPUWURPHN-HNNXBMFYSA-N 355.390 3.601 30 40 FHEB biogenic C/N=C1/S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1C 408930050 RITXDDLNGJZIDT-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB Cc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1C 6979285 NKUPANQEWQLPPJ-IBGZPJMESA-N 356.495 3.636 30 40 FHEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc2c(c1)Cc1ccccc1-2 8286060 QZVJRDXAAKWWCZ-UEIZDATPSA-N 365.502 3.625 30 40 FHEB COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 4451088 XAJNCWKXJBVEKT-UHFFFAOYSA-N 371.462 3.627 30 40 FHEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\C3CCCCC3)NC2=O)c1 4980144 YDMXQWWQMIQPKB-INIZCTEOSA-N 359.495 3.552 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 7702249 SSHNDDRYGZNICW-SFHVURJKSA-N 354.456 3.688 30 40 FHEB CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C 2752418 HYZBGZIFDVWDCM-UHFFFAOYSA-N 362.838 3.940 30 40 FHEB C=CCn1c(C)cc(C(=O)CO/N=C(\C)c2ccc(NC(C)=O)cc2)c1C 22195048 OSNRVAFWGHSUAK-HZHRSRAPSA-N 367.449 3.873 30 40 FHEB C=CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC 26770670 VHKZNVNIWHRYEO-GHRIWEEISA-N 358.463 3.716 30 40 FHEB COC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5218369 BSZQUUBAYUYWPR-PXNMLYILSA-N 362.740 3.647 30 40 FHEB C=CCN1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S 4478018 ADXLGZXKXXNHBO-RVDMUPIBSA-N 371.439 3.886 30 40 FHEB COc1cc2c(c(OC)c1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 18200462 BDWROGODCAFASE-LJQANCHMSA-N 351.402 3.974 30 40 FHEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 7634120 COFQMPSPWUBTHR-JTQLQIEISA-N 370.450 3.898 30 40 FHEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1C1CCCCC1)c1cccc2nsnc12 76767190 CFUKVMBZRXIBBF-NEPJUHHUSA-N 365.480 3.553 30 40 FHEB CCOC(=O)c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408859184 MRQPENUBSLOHSL-WJDWOHSUSA-N 370.405 3.894 30 40 FHEB Cc1ccc2occ(CC(=O)NC3(c4cccc(C#N)c4)CCOCC3)c2c1 529520773 SKDGKWZHCGXJET-UHFFFAOYSA-N 374.440 3.978 30 40 FHEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCCCC1 225852950 YJVXJERPVFBKET-UHFFFAOYSA-N 358.438 3.942 30 40 FHEB COc1ccc(Br)cc1C(=O)n1cc(C#N)c2ccccc21 226361530 IAHAOIUPZFLIJW-UHFFFAOYSA-N 355.191 3.973 30 40 FHEB Cc1cc(C)cc(C(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CS3)c1 103691784 UDTXZRMPOQNGID-HNNXBMFYSA-N 364.426 3.553 30 40 FHEB Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 409213617 SJCVACKPUUYTHL-UUYOSTAYSA-N 373.368 3.545 30 40 FHEB C#CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 408912464 QWUGTLRVNRJKAX-ODLFYWEKSA-N 359.769 3.715 30 40 FHEB O=C(C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)c1ccccc1 4537215 ZPQCNZQTZQYWTL-MBTVCVBTSA-N 371.849 3.535 30 40 FHEB CCCCCCCC(=O)O[C@@H](CN1CCCCCC1)CN1CCCC1=O 17595984 VWPBDXJKLFVDPP-IBGZPJMESA-N 366.546 3.757 30 40 FHEB N#C[C@H](C(=O)OCc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 19735919 KXVPEFWSHRPGBO-AWEZNQCLSA-N 364.279 3.964 30 40 FHEB in-vitro C=CCc1ccccc1OCc1ccc(C(=O)NCc2cn(C)nc2C)o1 28239271 HFKABWFOUIKNHJ-UHFFFAOYSA-N 365.433 3.559 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N 37866241 SSECRLOUEGFVTQ-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB N#C[C@H](c1ccccc1)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]c1=O 98071650 JAHIUCLUJXQZRA-GOSISDBHSA-N 365.392 3.810 30 40 FHEB N#CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038163 QXNJMOFNRHZLQL-UHFFFAOYSA-N 373.391 3.575 30 40 FHEB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5867265 VTYFQSZCJCMRHL-ZDUSSCGKSA-N 363.446 3.771 30 40 FHEB C=CCc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c(OC)c1 12603581 DTPKBGCAUZKDNS-QGZVFWFLSA-N 352.434 3.522 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 12793242 ASLCODXNEBXSOV-GOSISDBHSA-N 372.446 3.827 30 40 FHEB Cc1c(CCOC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)sc[n+]1CC#N 100586919 WYESXHHXQSLESP-MVYVIFSASA-N 359.515 3.560 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 31676344 SVLHRMWCBHQAHA-UHFFFAOYSA-N 358.401 3.639 30 40 FHEB C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccc(F)cc3)N2C1=O 1626635 JJOUVADKRBEFAF-DYZYQPBXSA-N 364.401 3.808 30 40 FHEB Cc1ccc(C)c(OCCC(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 6034132 NAQYLGQIXPVLIM-MRXNPFEDSA-N 366.417 3.514 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 7594529 NUUARUSJYGYVQH-VIFPVBQESA-N 355.872 3.876 30 40 FHEB CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21 107746136 GEGNLMGKHDZLLO-CEWLAPEOSA-N 363.461 3.524 30 40 FHEB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1Cl)C(C#N)C#N 109082382 JPJIYULVEOIJQJ-LJQANCHMSA-N 362.820 3.923 30 40 FHEB C=CCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@@H]1c1ccccc1 28405705 UCQWCRQEFMHHDY-SFHVURJKSA-N 352.459 3.946 30 40 FHEB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 4628792 QAGUHPZMIFAYBW-XBFCOCLRSA-N 360.479 3.964 30 40 FHEB COc1cc(/C=C2\Cc3c(O)cccc3C2=O)cc(Br)c1O 9954493 YNADKTOPFFMODY-BJMVGYQFSA-N 361.191 3.691 30 40 FHEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409316049 KPWDFNIIFDXDHZ-UHFFFAOYSA-N 374.238 3.977 30 40 FHEB N#CCc1ccc(NC(=O)CNc2ccc(Br)cc2F)cc1 11725047 DWPJDVDBLJZKDT-UHFFFAOYSA-N 362.202 3.705 30 40 FHEB C=CCN(Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 54271948 AMOUDTSRTIAIIT-UHFFFAOYSA-N 370.405 3.658 30 40 FHEB CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCC)cc1 47562361 XXRFZUKMDRSMAK-UHFFFAOYSA-N 364.449 3.752 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/n2c(CCc3ccccc3)n[nH]c2=S)c1 27526007 VKYHDBIQMLVCBE-LDADJPATSA-N 353.407 3.516 30 40 FHEB CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 12981638 WISQCAYMZKWKSM-UHFFFAOYSA-N 355.246 3.831 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12902001 DGTAGJUBVMXECF-HNNXBMFYSA-N 364.879 3.727 30 40 FHEB CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)C1CCCCC1 4769997 MUPVAZSWSSHJCT-UHFFFAOYSA-N 366.461 3.554 30 40 FHEB COC(=O)COc1c(Cl)cc(/C=C2\Cc3ccccc3C2=O)cc1OC 409368228 VAICBRUZRDFKHX-VGOFMYFVSA-N 372.804 3.723 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(C(=O)OC)=C1C 32125485 PBGWASAYTUQBRW-WQLSENKSSA-N 352.217 3.852 30 40 FHEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224638208 MBRSDWGJNCLIGF-UHFFFAOYSA-N 361.463 3.784 30 40 FHEB Cc1c(/C=N/c2ccc(C(=O)O)cc2)c(O)n2c(nc3ccccc32)c1C#N 3026234 ZQALTGRMZXLAFF-FOKLQQMPSA-N 370.368 3.822 30 40 FHEB C=CCNC(=S)N/C=C(/c1ccccc1)[S@@](=O)Cc1ccccc1 6293457 LRDZDMAGNZCXSS-IERWFCSNSA-N 356.516 3.584 30 40 FHEB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6823845 ZJQDOWLBAHNSCT-SFHVURJKSA-N 374.227 3.832 30 40 FHEB N#C[C@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccccc1 12322142 GEIRPHIWQKUAFL-KBPBESRZSA-N 354.456 3.916 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccccc1OC(F)F 7858453 OZMQZCBDCQYSND-LLVKDONJSA-N 362.332 3.574 30 40 FHEB N#CCCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 6364616 PPJCUFVBGBLNPH-UHFFFAOYSA-N 372.450 3.619 30 40 FHEB Cc1ccc2cc(C#N)c(NCCCNC(=O)NC3CCCCC3)nc2c1 35312817 ZJUBUNPUHKGOMZ-UHFFFAOYSA-N 365.481 3.849 30 40 FHEB CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 96122466 UMTKDOHWQRAILG-OAQYLSRUSA-N 363.461 3.745 30 40 FHEB C#CCOc1ccc(Br)cc1/C=C1/C(=O)Nc2ccccc21 15011380 DABFZTFWRZGFBL-RVDMUPIBSA-N 354.203 3.954 30 40 FHEB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC#N 208787390 LGIKFTSTTZUHLM-QGOAFFKASA-N 361.401 3.794 30 40 FHEB C(=N\N1CCN(/N=C\c2c[nH]c3ccccc23)CC1)\c1c[nH]c2ccccc12 4990761 VWTPHODQPDVOBG-YXHOTNNGSA-N 370.460 3.635 30 40 FHEB CCN(Cc1ccccc1)[C@@H](c1cccc(C#N)c1)c1nnnn1C(C)(C)C 26438801 KZXCSFVNVIGEKX-FQEVSTJZSA-N 374.492 3.911 30 40 FHEB N#Cc1cccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 12798999 VRFZZPLBGJHPGW-UHFFFAOYSA-N 352.724 3.831 30 40 FHEB Cc1cccc(C)c1OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccnc1 9344586 ZJDLEUIXNIDWQU-UHFFFAOYSA-N 374.444 3.995 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc2c(c1)OCO2 408732095 RYBKCDOGDPDWJT-LJQANCHMSA-N 366.442 3.714 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])o1 409073616 QORYZJUVQOHURM-GRSHGNNSSA-N 367.321 3.912 30 40 FHEB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 225265486 PZGZZKKYYRCKAC-CQSZACIVSA-N 355.463 3.515 30 40 FHEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 684813389 IVWHAQKSLBOHAI-AOIWGVFYSA-N 360.502 3.634 30 40 FHEB C[C@@H]1C[C@@H]1CN(CCCCN(C)c1ccncc1C#N)c1ccncc1C#N 599154681 JOSPNPWXLCRMLQ-QZTJIDSGSA-N 374.492 3.599 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2cc3cc(C)ccc3nc2Cl)cc1 2193867 IRXJQKLCDWODJJ-RGVLZGJSSA-N 373.865 3.817 30 40 FHEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(OC)c1OC 6297208 JBICXPZFJNETBB-ODCIPOBUSA-N 355.316 3.572 30 40 FHEB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 4628791 QAGUHPZMIFAYBW-YUTCNCBUSA-N 360.479 3.964 30 40 FHEB COc1ccccc1/N=C(/N)SCc1cc(Cl)c2c(c1)OCO2 29491132 ZKQKTPOWNMPLLW-UHFFFAOYSA-N 350.827 3.957 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 101662297 CHAYZVUBOBGAQY-OAQYLSRUSA-N 373.497 3.913 30 40 FHEB COc1ccc(CC/N=C2/SCCN2CC(=O)c2ccc(F)cc2)cc1 3289629 HKJSYDVEAQQSJB-LSDHQDQOSA-N 372.465 3.665 30 40 FHEB COc1ccccc1[C@@H](CNc1oc(-c2ccccc2)nc1C#N)N(C)C 27562406 FKJYRWYABBIAFX-GOSISDBHSA-N 362.433 3.937 30 40 FHEB N#Cc1c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cn2ccccc12 12936163 QNKZPBLUDKMUKD-UHFFFAOYSA-N 351.715 3.693 30 40 FHEB CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(C#N)cc1 8395813 XPJUTVYCCXAJKL-SFHVURJKSA-N 355.438 3.508 30 40 FHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)c1 5917274 HHKMNHMGQBVIBR-SFHVURJKSA-N 365.429 3.859 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 9483829 TUGZBJLXSWEOBG-ZMZPIMSZSA-N 366.808 3.940 30 40 FHEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(C)cc1 224697576 LAVAREPGEWBFDE-UHFFFAOYSA-N 373.474 3.861 30 40 FHEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224765254 WOYUPSZNAHOTCM-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1F 85558685 CQPNUGUTGRVSNL-UHFFFAOYSA-N 351.299 3.657 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 862114 DYQMENSLAHUHRO-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)cc1 6003118 KMLJCDIFQNRJOC-BQHBUAMBSA-N 354.475 3.843 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@H](c3ccc(O)cc3)Nc3ccccc3N2)C(=O)O1 102443876 NQSSHIXMXVWCBI-QTIQAUKSSA-N 362.385 3.645 30 40 FHEB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1cccc(C#N)c1 12104709 GQRVREQWVZSIBF-ZDUSSCGKSA-N 369.494 3.918 30 40 FHEB O=C(O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 708325 GNQRCMMRCGJTNZ-ZJYNUGOYSA-N 374.849 3.946 30 40 FHEB C[C@@H]1Cc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 24678484 LEENUWDLILAWHQ-RHSMWYFYSA-N 354.413 3.675 30 40 FHEB CS[C@@H]1CCC[C@H]1N(C)CC(=O)N(CCC#N)c1cccc(C)c1C 107064690 BJXBKVWZUYQBLC-RTBURBONSA-N 359.539 3.766 30 40 FHEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc2ccccc12 13574774 FLJFITKNTAQLGA-QOCHGBHMSA-N 373.372 3.939 30 40 FHEB CC[C@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409345671 MPWCHSXDQNQLOE-LBPRGKRZSA-N 371.824 3.815 30 40 FHEB C[C@@H]1COCCN1/C(O)=N/Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 329881240 OGFPJDVYXHPZHU-GDBMZVCRSA-N 371.506 3.550 30 40 FHEB Cc1nc(C)c(CN=c2[nH]c3c(c(C#N)c2C#N)CCCCCC3)s1 619482947 XFTJQSVYTQTLER-UHFFFAOYSA-N 351.479 3.591 30 40 FHEB COc1cc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc(OC)c1O 1473672 UOYMPNLJCIRAPF-VXLYETTFSA-N 370.434 3.521 30 40 FHEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c1 5444144 RITCTBWKDRFLLT-IBGZPJMESA-N 365.429 3.930 30 40 FHEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(S(=O)(=O)O)cc1 16737558 LULYBIHFXKWWBQ-UHFFFAOYSA-O 373.479 3.879 30 40 FHEB Cc1sc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c(C#N)c1C 2408113 JEAGREDTHDLLEI-NSIKDUERSA-N 357.460 3.968 30 40 FHEB CCCCNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3450627 CNFODBAKZAVFME-UHFFFAOYSA-N 368.458 3.783 30 40 FHEB CSc1nc(Oc2cccc3ccccc23)cc(-n2ncc(C#N)c2N)n1 1018141 JFSWERGWKQFQTO-UHFFFAOYSA-N 374.429 3.784 30 40 FHEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)ccc1O 18196778 TZMZDKGPZWCDOD-FQEVSTJZSA-N 365.385 3.694 30 40 FHEB O=C1CSC(=S)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 409356580 HTQONRVNFPDREB-KEBDBYFISA-N 365.483 3.884 30 40 FHEB C=CCNC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 78224900 GSGROLQKHKADKG-UHFFFAOYSA-N 359.838 3.693 30 40 FHEB O=S(=O)(NCc1ccc(/C=N/c2ccccc2F)o1)c1ccccc1 408778790 KVIDGTJIKFBATK-UDWIEESQSA-N 358.394 3.648 30 40 FHEB C=CCOc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1OC 30643195 KXPJSEWUPMSFIW-NRFANRHFSA-N 363.461 3.873 30 40 FHEB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 69166174 XTOLEDCEVGBJFX-GJZGRUSLSA-N 354.479 3.754 30 40 FHEB C=CCC1(CC=C)CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C 12325725 XSCDMYHOBRJFNT-UHFFFAOYSA-N 354.450 3.932 30 40 FHEB C=C(Br)CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 58419278 RFTCYSKQJRSRLH-UHFFFAOYSA-N 372.222 3.837 30 40 FHEB C=CCN1CC[C@@]2(CN(Cc3ccc(C)s3)C[C@@H]2c2nccs2)C1=O 306129966 ISTBVOOOWJHWNR-APWZRJJASA-N 373.547 3.517 30 40 FHEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2OC)n1 8917609 HHJBEILKTPMTHN-UHFFFAOYSA-N 365.842 3.678 30 40 FHEB C=CCOc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 225730789 LFNUWRUZYGZFMJ-IAGOWNOFSA-N 361.555 3.906 30 40 FHEB C=CCc1ccccc1OCc1cc(=O)n2nc(SCC)sc2n1 13367585 CSOIKGCJNFNVNF-UHFFFAOYSA-N 359.476 3.571 30 40 FHEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195526 HOLKFDVAPUELIM-MRXNPFEDSA-N 352.438 3.526 30 40 FHEB C=CCOc1cc2c(cc1Cc1cc(OC)c(OC)c(OC)c1)OCO2 1587943 IKVSBVZCHUGIGB-UHFFFAOYSA-N 358.390 3.597 30 40 FHEB COc1ccc(NC(=O)c2ccc(NC(=O)C3(C#N)CCCC3)cc2)cc1 20962432 KBFGTPKJCBEUNC-UHFFFAOYSA-N 363.417 3.970 30 40 FHEB C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 16623878 CVSOXFGMPVUBEO-CQSZACIVSA-N 367.415 3.868 30 40 FHEB Cc1ccc(N(CCC#N)C(=O)CSc2ccc3c(c2)OCCO3)cc1 2624725 DKQBMDQCVACEHC-UHFFFAOYSA-N 368.458 3.805 30 40 FHEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249408 DJIQKSHWNNAKAO-KEBDBYFISA-N 352.346 3.834 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 23105859 FZXMHWYALSJXFD-JTQLQIEISA-N 357.382 3.834 30 40 FHEB CCCCCCCCCCCC(=O)OC(COC(C)=O)COC(C)=O 103659671 IADBTKCAYVABOP-UHFFFAOYSA-N 358.475 3.945 30 40 FHEB C=CCN(Cc1cccs1)C(=O)Nc1snc(C)c1C(=O)OC 56320654 SHXJHJWIHBEFOZ-UHFFFAOYSA-N 351.453 3.520 30 40 FHEB C#CCOc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 3765206 ZEQDUQLVVYSQPM-UHFFFAOYSA-N 367.198 3.924 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112811 KYKWVWOQPAWYDS-UHFFFAOYSA-N 366.471 3.782 30 40 FHEB Cc1ccc(NC(=S)N/N=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)c(C)c1 6566479 RFAOXBLYGYNCKI-UHFFFAOYSA-N 369.406 3.504 30 40 FHEB C[C@H](c1ccccc1)S(=O)(=O)/N=C(\O)C[C@H]1OCCc2ccccc21 77881237 GUQIYKFOIJLLKV-RDTXWAMCSA-N 359.447 3.738 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccccc2I)cc1 408550358 GMLJNCOKYNAOQL-LICLKQGHSA-N 365.170 3.828 30 40 FHEB O=C(O)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 3152852 OMWYFMYSTUOHIW-FRKPEAEDSA-N 365.139 3.512 30 40 FHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 5129357 YNWJZTCCYCJWLV-SOFGYWHQSA-N 358.390 3.626 30 40 FHEB CN(C(=O)CSc1ncc(-c2ccccc2)n1C)C1(C#N)CCCCC1 5263980 LYAPDKWJOSDKIL-UHFFFAOYSA-N 368.506 3.864 30 40 FHEB N#Cc1ccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)cc1 1889191427 MSQLZRDNXXBHJT-XLNRJJMWSA-N 358.184 3.943 30 40 FHEB CC(C)(C)[C@@H]1CCc2nc(SCC(N)=O)c(C#N)c(C(F)(F)F)c2C1 9423406 AKJIWBFPXHOQSG-SECBINFHSA-N 371.428 3.700 30 40 FHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccc(F)cc2)c1C#N 871563 YFEJSTRITBACHP-UHFFFAOYSA-N 371.437 3.946 30 40 FHEB N#Cc1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c(F)c1 22848739 KCLFVZFKLPZNFG-UHFFFAOYSA-N 373.859 3.547 30 40 FHEB COc1cc(OC)cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 12538378 GVHLZDPHOLLIAZ-UHFFFAOYSA-N 358.397 3.751 30 40 FHEB Cc1ccc(NC(NC(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 2311314 BVHVRIWCTPDZJB-UHFFFAOYSA-N 368.199 3.906 30 40 FHEB CCOC(=O)c1sc(N/N=C/c2ccccc2Br)nc1C 3959052 ZBFMKTIIERSZST-LZYBPNLTSA-N 368.256 3.837 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 6974900 MXZZLHCXNCZDQJ-JLHYYAGUSA-N 363.504 3.983 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)C2(C#N)C#N)cc1 218339853 WEPIZKFGYOWMFQ-DLBZAZTESA-N 356.834 3.622 30 40 FHEB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(CC#N)cc1 225786188 NHLFRLZQQHOIEX-AWEZNQCLSA-N 355.463 3.515 30 40 FHEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1C1CCCC1 225870789 QTURSAUXAQMZKP-UHFFFAOYSA-N 353.445 3.523 30 40 FHEB C[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccccc12 6466244 MAJHSNBKLUMKGT-UONOGXRCSA-N 362.385 3.621 30 40 FHEB CCCN1C(SCc2ccc(C#N)cc2)=NS(=O)(=O)c2ccccc21 9530270 IKWSEFHRXKTPEE-UHFFFAOYSA-N 371.487 3.766 30 40 FHEB COc1ccc(CN(CCN(C)CCCCC#N)c2ccccn2)cc1 2525876 SZXAMPXPWBJHAR-UHFFFAOYSA-N 352.482 3.722 30 40 FHEB in-vitro CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1C 20620849 MBMKDHZMMITICX-VQHVLOKHSA-N 357.406 3.722 30 40 FHEB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C#N)c1 6408325 SMWIVYFJENFWBK-UHFFFAOYSA-N 360.822 3.729 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1CCCC2 22956570 MOQZMBKAYUUJPW-UHFFFAOYSA-N 350.466 3.864 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C#N)O[C@@H](C)C2 12564486 TYPJKPDEERSABD-UONOGXRCSA-N 365.433 3.719 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)C1(c2ccccc2)CCC1 54489154 YZRNFBUPTNPDMH-UHFFFAOYSA-N 374.418 3.670 30 40 FHEB Fc1c(F)c(F)c(/C=N/NC(=S)NC2CCCCC2)c(F)c1F 3296728 OLTBTXWECSRTSE-CGOBSMCZSA-N 351.344 3.513 30 40 FHEB COC(=O)c1cc(CSc2nc3ccccc3n2CCC#N)oc1C 6083426 OOIPEMWRSSKONU-UHFFFAOYSA-N 355.419 3.930 30 40 FHEB COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1OC 4301922 NWASJEPIQSWRSS-UHFFFAOYSA-N 363.417 3.809 30 40 FHEB C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 65453386 OGYAWIJCDDLUPX-CYBMUJFWSA-N 374.487 3.594 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3cccc(Br)c3)cc2N1 5335715 BUUGICGELLBDSX-GQCTYLIASA-N 358.191 3.676 30 40 FHEB C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 4835623 NSTFJPHSCAVNRG-UHFFFAOYSA-N 360.508 3.883 30 40 FHEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 9420101 OWETZVNUMCEEBL-WQRHYEAKSA-N 353.374 3.762 30 40 FHEB CC(C)Oc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409350215 RGLOBDCSMRHMPE-UHFFFAOYSA-N 373.412 3.925 30 40 FHEB Cc1ccoc1C(=O)NCCCNc1cc(C#N)ccc1C(F)(F)F 95971349 CXSODCHKNFVOIY-UHFFFAOYSA-N 351.328 3.711 30 40 FHEB C[C@H]1CCCN(c2cc(C(=O)N3CCCc4cc(C#N)ccc43)ccn2)C1 591005419 GRKPFKAUTXSZGC-INIZCTEOSA-N 360.461 3.783 30 40 FHEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1)CC2 8115810 LMSFBTZCRCNYMY-XMHGGMMESA-N 360.207 3.965 30 40 FHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccs1 4186930 UIUNWMXQKVVVBW-ONUMYQOESA-N 368.458 3.979 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccccc1 16956811 PPEZDBPTJBHWJX-IHQJQDDPSA-N 353.447 3.549 30 40 FHEB CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C#N)cc1[N+](=O)[O-] 40149281 JAFXDGSDNHUYET-UHFFFAOYSA-N 361.405 3.926 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)c(OC)c1 3983014 AQZPOIGIJLUVKR-SXGWCWSVSA-N 358.394 3.735 30 40 FHEB N#CCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 4365767 BRWIXTFLOZNRDY-UHFFFAOYSA-N 364.430 3.728 30 40 FHEB N#Cc1ccsc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 22003034 RBUWNWFXCDVWLL-UHFFFAOYSA-N 359.410 3.727 30 40 FHEB C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OC 2081130 LSKLWSSGAIBHQW-YBEGLDIGSA-N 353.349 3.744 30 40 FHEB C=CCOc1c(Cl)cc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 409093032 YROCEHHHBJPOPZ-WUXMJOGZSA-N 371.245 3.665 30 40 FHEB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 8217039 BUZRWFJECVDONJ-CQSZACIVSA-N 353.809 3.512 30 40 FHEB C=CCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 3999922 JTQSRNNMFYLABS-YAOQVBECSA-N 360.457 3.889 30 40 FHEB biogenic C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 5214343 UXIMQZQPEJIASD-NEIHUHTASA-N 355.438 3.688 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2cccc(Cl)c2)o1 409410080 YMYQKNCRYXTGEQ-DSIZOQBWSA-N 366.804 3.741 30 40 FHEB N#C[C@H]1CSCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 540430000 OGVOHBIMBXOKPL-KRWDZBQOSA-N 361.470 3.771 30 40 FHEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C)cc1)C(=O)N2C1CSC1 223724125 BAGWYKWNHIHIII-QOCHGBHMSA-N 351.475 3.836 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)cc1 225887478 OUXFTDZOLGQYES-UHFFFAOYSA-N 365.364 3.708 30 40 FHEB CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OCc2ccccc2)c1 13132251 AEHRBTXSWXTXRN-HXUWFJFHSA-N 360.417 3.735 30 40 FHEB aggregator COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(OC)cc2)C1=O 13601132 DPHSNPIMGZYNCY-CPNJWEJPSA-N 363.413 3.881 30 40 FHEB CN(C)Cc1cc(C(=O)/C=C/c2ccc(F)cc2)cc(CN(C)C)c1O 16958810 FRKYDPHCHJZHHI-JXMROGBWSA-N 356.441 3.551 30 40 FHEB O[C@]1(c2ccc(F)cc2)CS/C(=N/c2cccnc2)N1Cc1ccco1 102764252 ACKLGCIZAVCIRE-HXTJDARSSA-N 369.421 3.896 30 40 FHEB CC(/N=N\c1cccc(S(=O)(=O)O)c1)=N\Nc1nc2ccccc2o1 100884136 HGOAONCFDNMIQY-MNVAPZAZSA-N 359.367 3.604 30 40 FHEB C=CCc1cc(/C=N/c2cccc(OC)c2)cc(OC)c1OCC(=O)O 59249506 KABZUSCPKDETRZ-CIAFOILYSA-N 355.390 3.646 30 40 FHEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 23731421 WPUDJIKOMNQLNP-GOSISDBHSA-N 373.378 3.728 30 40 FHEB O=C(/C=C/c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 105177348 HDMHSGCTVDZECL-CRUHIGBXSA-N 369.420 3.894 30 40 FHEB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 45034484 INRWUECPWDQWBI-KUHUBIRLSA-N 350.418 3.845 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)NCC3CCCCC3)ccc2c1=O 6510893 MOEVUTBQDSUABA-UHFFFAOYSA-N 357.479 3.555 30 40 FHEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 408534141 LNLCZJDVZMGHOY-INIZCTEOSA-N 369.808 3.558 30 40 FHEB COc1ccc(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1OC 7007467 SNEVYDPYNOAEOD-QPJJXVBHSA-N 353.374 3.511 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 9089563 MUXKINWBRJXFLV-LJQANCHMSA-N 363.413 3.768 30 40 FHEB CCNC(=S)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 409371154 DQMHWWWPEOSAHM-WSDLNYQXSA-N 350.491 3.816 30 40 FHEB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OC 137442054 TXCBZUQAWFFPMJ-WDLRCHCKSA-N 360.460 3.968 30 40 FHEB C=CCOc1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225799114 VIFJZAJAEVMRDV-UHFFFAOYSA-N 371.506 3.683 30 40 FHEB O=C(NO)c1ccc(-c2ccc(Br)cc2Br)o1 226290268 BOEXSIVYTXXXQB-UHFFFAOYSA-N 360.989 3.591 30 40 FHEB N#CC1(c2ccc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)cc2)CC1 225860191 NDDIVRCLFOPJQX-UHFFFAOYSA-N 369.424 3.755 30 40 FHEB C=CCc1ccccc1OC[C@H](S)CN1CCN(c2ccccc2)CC1 95532719 FHCZCQVPVFYMKM-OAQYLSRUSA-N 368.546 3.915 30 40 FHEB Cc1nc(C)c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)s1 90610468 PHUDEGXGBSZVGA-UHFFFAOYSA-N 368.380 3.591 30 40 FHEB Cc1ccc2cc(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)c(=O)[nH]c2c1 883122 NNCOASOJNNBQIJ-SFHVURJKSA-N 359.429 3.774 30 40 FHEB N#Cc1ccccc1NC(=O)CCN1CCC[C@H](c2nc3ccccc3o2)C1 24668222 FQQQUIKXVWDUPI-KRWDZBQOSA-N 374.444 3.908 30 40 FHEB C=CCN(C(=O)[C@H]1COc2ccccc2C1)c1nc2c(s1)CCCC2 12938281 BZNBUEIQWOIOLR-OAHLLOKOSA-N 354.475 3.792 30 40 FHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5825964 DCIBBEWLSDORDS-ZDLGFXPLSA-N 354.358 3.635 30 40 FHEB biogenic N#Cc1ccccc1CSc1nnc(-c2ccc(C(N)=S)cc2)o1 35311368 RCBLOSRPYFIGAV-UHFFFAOYSA-N 352.444 3.535 30 40 FHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 224680924 OJHDJFAKIUVYFY-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 44830635 BTWYPRBHKFEHRA-UHFFFAOYSA-N 355.360 3.634 30 40 FHEB O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccc(Br)cc1 1099869 CTYMGIIVTXAPLC-ZSOIEALJSA-N 373.162 3.702 30 40 FHEB C/C(=N\N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 1187996 UXIMQZQPEJIASD-KOWBDXASSA-N 355.438 3.688 30 40 FHEB COc1ccc(/C=N\c2ccc(Br)cc2C(=O)O)c(OC)c1 16215457 GKKHROPWWMDIFW-NVMNQCDNSA-N 364.195 3.915 30 40 FHEB Cc1ccc(/C=C/C(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1 16958806 XKNNUKNWGSSCRT-ZHACJKMWSA-N 352.478 3.720 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccc(F)cc1 4899023 XHTDHQCBSYIFBW-APOTWCRESA-N 371.437 3.688 30 40 FHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 20094974 NIRRINNIYYSZPZ-KZULUSFZSA-N 366.421 3.894 30 40 FHEB CCOc1ccc([C@@H](O)C2=CC(=O)c3ccccc3C2=O)cc1OCC 1688846 KXPJCUKQZUTCQO-HXUWFJFHSA-N 352.386 3.523 30 40 FHEB C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N 11712601 XISFPGSPHFWURY-GFCCVEGCSA-N 363.339 3.938 30 40 FHEB CC(C)(C)N1C(=O)N/C(=N/Cc2ccccc2)[C@@H]1NCc1ccccc1 57291963 ZJFQLYDQFBHPTP-LJQANCHMSA-N 350.466 3.525 30 40 FHEB Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 41540831 FJWIRIBMDQTKQK-OAHLLOKOSA-N 360.348 3.951 30 40 FHEB N#CC1(NC(=O)CNc2cc(F)ccc2OCC(F)(F)F)CCCCC1 22842428 KELNJLBZLGIJFY-UHFFFAOYSA-N 373.350 3.521 30 40 FHEB Cc1ccc(NC(=O)O/N=C(\N)CC(=O)Nc2ccccc2C)cc1Cl 6585918 FSIYJXBGAIRQFY-UHFFFAOYSA-N 374.828 3.806 30 40 FHEB C=CCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 8037654 YGFKOAFVHGWXIF-UHFFFAOYSA-N 369.852 3.847 30 40 FHEB C[C@@H](c1ccccc1)N(C)CC(=O)NCCSCc1ccccc1C#N 16695769 OIKFOAZJRDTISB-KRWDZBQOSA-N 367.518 3.601 30 40 FHEB COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 72305038 IJAXEOFHPVWMIY-UYAOXDASSA-N 356.466 3.533 30 40 FHEB Oc1nncc(N/N=C/c2ccc(Cl)cc2Cl)c1Br 31858772 DVOLWDDHURRQRY-SYZQJQIISA-N 362.014 3.698 30 40 FHEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)O)c1 409090000 PQFLISHIQKVWET-MTJSOVHGSA-N 358.825 3.934 30 40 FHEB C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1/C(O)=N/Cc1csc2ccccc12 329053270 RVQUNXKDEYZEEL-HLIPFELVSA-N 374.506 3.567 30 40 FHEB CCCCCCCNC(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O 97960183 PVOJBJQQKKICLI-LVZFUZTISA-N 368.477 3.942 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 5664991 OUJYHZGPWBNEPG-QGMBQPNBSA-N 354.244 3.968 30 40 FHEB C=CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347636 PAVNCCIQFMHCJD-MRXNPFEDSA-N 365.433 3.881 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@@](C)(O)C[C@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 8235841 JJEBKVFRHNKOBW-MNMWCEAGSA-N 374.477 3.838 30 40 FHEB COc1ccccc1[C@@H](CNc1oc(-c2ccco2)nc1C#N)N(C)C 27664458 JJGKNXIAIHTLSN-OAHLLOKOSA-N 352.394 3.530 30 40 FHEB CN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2cc(Cl)ccc21 4555364 UWACZYOBENUMQP-DVFCLZDLSA-N 367.832 3.733 30 40 FHEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4776965 MXECBZLIJPOJEN-MGPUTAFESA-N 360.392 3.833 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccnc2ccccc12 18200764 HFGURFLSVGKEPR-INIZCTEOSA-N 360.417 3.864 30 40 FHEB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)C1(C#N)CCCCC1 8257631 GMCMAMZPEOVAKE-CYBMUJFWSA-N 373.526 3.656 30 40 FHEB CC(C)(C)OC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 675081738 KGJBKRRLDYHWCX-UHFFFAOYSA-N 352.667 3.523 30 40 FHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)c(OC)c1OC 13721637 FHCUSFPBOZPJIO-MRXNPFEDSA-N 370.405 3.573 30 40 FHEB Cc1cc(Br)cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 6275784 GOSZDMFJHOFHDW-QGMBQPNBSA-N 364.268 3.869 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6505927 BQFLRROHPWWGEO-QGMBQPNBSA-N 354.244 3.968 30 40 FHEB Cc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1 708299 HFXPBUCXIVWDKW-UHFFFAOYSA-N 366.368 3.715 30 40 FHEB Cc1ccccc1-c1noc(CSCC(=O)Nc2cccc(C#N)c2)n1 31422910 OVJUHGNKKPSUIZ-UHFFFAOYSA-N 364.430 3.789 30 40 FHEB N#Cc1c(NC(=O)c2ccc3c(c2)OCCCO3)sc2c1CCCC2 16789820 HVXJDIFYHXVIOI-UHFFFAOYSA-N 354.431 3.912 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O 8990579 CPOWGIBBKDRIDB-ODLFYWEKSA-N 368.385 3.643 30 40 FHEB biogenic C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1 9513847 BGDYMKDNNGLDQF-CYBMUJFWSA-N 357.479 3.941 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CCOc1ccc(Cl)cc1 40107384 ITVKDLMZKZMUAH-UHFFFAOYSA-N 358.825 3.663 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 83321022 CUHNAWOJOQIGTN-LJQANCHMSA-N 359.491 3.613 30 40 FHEB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccc(C#N)cc2F)nn1 1776009575 JNIJUBVDJVHVTL-JWTNVVGKSA-N 367.472 3.954 30 40 FHEB CN(C)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 5319390 GMJQWWZCWKRZDE-UHFFFAOYSA-N 352.401 3.546 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC(c3ccccc3Cl)=NO2)sc2c1CCC2 4504966 ZZMPXIQXIMGMMD-OAHLLOKOSA-N 371.849 3.894 30 40 FHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102804309 KZONDYXRXUUHBK-LFVOPCPISA-N 374.396 3.605 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 3306373 SRUMQCKDZIYJNV-UHFFFAOYSA-N 356.381 3.807 30 40 FHEB O=[N+]([O-])c1cc(/C=N/Nc2nncc3ccccc23)ccc1N1CCCC1 5689524 NUNKRXIDYDCIAS-UDWIEESQSA-N 362.393 3.584 30 40 FHEB O=C1/C(=C\c2ccc(Br)cc2)CS(=O)(=O)c2ccccc21 96792596 LUTOQPBCKFOJMJ-XFXZXTDPSA-N 363.232 3.503 30 40 FHEB COc1cc2c(cc1OC)/C(=N/Nc1cc(Cl)cc(Cl)c1)C(=O)N2 223736581 IMIRLMOXGAZYDU-UHFFFAOYSA-N 366.204 3.779 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C1\O[C@H]([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1=O 245240708 RSIBIUSOHOXXOW-VXHJGNDQSA-N 370.489 3.875 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(N(C)C)cc1 2270126 PEBAXCQHJCPYGL-RDPIHGLISA-N 365.568 3.920 30 40 FHEB O=C(CO/N=C/c1ccccc1OC(F)F)NCc1cccc(Cl)c1 3448482 FREYYFYJTBBPRE-LSHDLFTRSA-N 368.767 3.608 30 40 FHEB COC(=O)Cn1/c(=N/N=C(\C)c2ccc(C)cc2)sc2ccccc21 16952293 GMZIFRCYPITMIO-WQNZTSTFSA-N 353.447 3.509 30 40 FHEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1C1CCCCC1 3485573 RMZLVFBDOWJDJN-UHFFFAOYSA-N 361.471 3.539 30 40 FHEB C=CC/N=c1\scc(-c2ccccc2F)n1/N=C/c1cccc(O)c1O 12649925 LNZIHQQHAOZFBL-YQGQAXFOSA-N 369.421 3.736 30 40 FHEB N#Cc1ccccc1COc1ccccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409098699 JJSYWFPOEHMRFN-YDZHTSKRSA-N 373.372 3.886 30 40 FHEB Cc1ccc(C[C@@H](C#N)Sc2nnnn2CCc2cccs2)cc1 48299397 KTUCRQFLGNGKBT-INIZCTEOSA-N 355.492 3.513 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)C[C@H](C(=O)O)c3ccccc3)c2C#N)C1 13255076 SBGIFQHBXFKOGP-WFASDCNBSA-N 368.458 3.942 30 40 FHEB CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 39990637 WEEKBBVLQCUTSR-HXUWFJFHSA-N 367.518 3.942 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 96635024 RCUHTLPBDCZHCP-UKTHLTGXSA-N 373.817 3.767 30 40 FHEB CCCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 22608071 YKIJJGOJJCNEOW-BUXKBTBVSA-N 352.438 3.643 30 40 FHEB Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2C#N)n1 32779177 CDPZXAQWMVHLAQ-UHFFFAOYSA-N 364.430 3.789 30 40 FHEB C=CCN1C(=O)NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)C1=O 1228994 DWWYFXMUJBQCET-CPNJWEJPSA-N 356.381 3.641 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12219339 JFDOWCHUCJOUET-LIMIJEPZSA-N 365.448 3.852 30 40 FHEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2s1 6312107 XNJCFIIHVVIKBY-WOJGMQOQSA-N 352.375 3.663 30 40 FHEB CCCCC/N=C\c1c(C)[nH]n(-c2c(F)c(F)c(F)c(F)c2F)c1=O 17952596 KBJSIHWFQAGKCK-HOEBFWFUSA-N 361.314 3.779 30 40 FHEB CCOC(=O)c1cnc2ccccc2c1N1CCC(C/N=C(\C)O)CC1 50931065 DKRQPKIOEMASOP-UHFFFAOYSA-N 355.438 3.604 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(F)c1 983618 DHQGJVCUTDBMRP-UHFFFAOYSA-N 367.163 3.800 30 40 FHEB N#C[C@@H](C(=O)C=C(C1CC1)C1CC1)c1nc(O)c2ccc(Cl)cc2n1 54430140 NTOITQXUZABSNB-HNNXBMFYSA-N 353.809 3.911 30 40 FHEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 1101134 NKWNCSSLOCZENM-OAHLLOKOSA-N 373.474 3.509 30 40 FHEB C=CCn1c(SCCCOC)nc2sc3c(c2c1=O)CCCC3 58154377 ACMUVMFDXMAAKU-UHFFFAOYSA-N 350.509 3.651 30 40 FHEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NC[C@H]1CCCO1 408804723 GYBVAGMCTYXOPI-MTEVNVADSA-N 372.852 3.765 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(N(C)C)cc1 2270124 PEBAXCQHJCPYGL-JHDSZEHQSA-N 365.568 3.920 30 40 FHEB N#CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408750076 KGMURFUGWWCXIP-TXEJJXNPSA-N 357.460 3.592 30 40 FHEB S=C(N/N=C/c1ccc(OCc2ccccc2)cc1)Nc1cccnc1 6346249 FQFFPDPNADMOTJ-LPYMAVHISA-N 362.458 3.981 30 40 FHEB C/C(=N/O)c1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 6361148 ZNXYMEVBZWGVTR-UKWGHVSLSA-N 358.195 3.720 30 40 FHEB CO/N=C(\CSc1ccccc1Cl)c1sc2ncnn2c1C 5721877 DMLTXXVGQNYHLL-WOJGMQOQSA-N 352.872 3.895 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 409059313 WIFSPEYRZYXUPQ-AQTBWJFISA-N 365.410 3.948 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 409127990 SCXIXBBDCLBOEV-CPNJWEJPSA-N 365.433 3.572 30 40 FHEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225070116 PXQJIWJOEQUQMD-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=C(C)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)CCCCC4 40267082 KVNZHZCPWNUOLN-UHFFFAOYSA-N 360.508 3.673 30 40 FHEB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(CC#N)cc3)n2)cc1 225816306 FZVMNKMVKYDXRF-UHFFFAOYSA-N 363.446 3.598 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccnc2ccccc12 12324495 PKXIJCASOWPXDV-QGZVFWFLSA-N 361.405 3.840 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(C[C@H](C)CC1=O)N2 19959565 ASAMBBYHVUAXDZ-GTNSWQLSSA-N 370.478 3.667 30 40 FHEB CN(/N=C/c1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6375494 YYNFVWDJRITFOT-YBFXNURJSA-N 351.322 3.522 30 40 FHEB CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/N=C/c1c[nH]c2ccccc12 32074190 QYBFPHGVBBGKNZ-OPEKNORGSA-N 374.488 3.905 30 40 FHEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc2ccccc2c1 100005596 KYFKHSNYAKYMIO-ZBJSNUHESA-N 373.372 3.939 30 40 FHEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248829 OIERNQJDBAOWHE-LSHDLFTRSA-N 363.373 3.636 30 40 FHEB C=CCn1cnnc1S[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132854 WYYGFTSILXTWQU-CRRKTRLDSA-N 368.506 3.825 30 40 FHEB CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC 100225226 SKOBISQPDAQMBF-HYARGMPZSA-N 365.433 3.642 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 18193153 KCINCLCZHYGJET-HNNXBMFYSA-N 373.865 3.896 30 40 FHEB Cc1ccc(Cl)cc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 13787165 IDHOZVOEQUEUJN-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCC)nn32)cc1 4436144 ZSWBANGIIAFGEQ-QGZVFWFLSA-N 370.478 3.811 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@@H](c2ccco2)N2CCCCC2)cc1 22015885 JPPFAXYFXOHVJM-NRFANRHFSA-N 366.509 3.946 30 40 FHEB C=CCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975309 MBEMRDCKJCZLDW-UHFFFAOYSA-N 365.396 3.795 30 40 FHEB C[C@@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225859164 FWMXIQLSCWADHC-CQSZACIVSA-N 370.884 3.587 30 40 FHEB COc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 83262394 XUVNAXPFOYQJLR-PXNMLYILSA-N 351.156 3.822 30 40 FHEB C=CCOc1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 223254558 YDTYYWMZCNHTIL-UHFFFAOYSA-N 373.474 3.940 30 40 FHEB Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C/c1ccccc1C(=O)O 17314279 WHIUBOXMPXCXCR-KEBDBYFISA-N 371.462 3.843 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9484073 RSYNULOPSOHJAQ-XACIZNRCSA-N 356.349 3.772 30 40 FHEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3ccc(C(C)(C)C)cc3)n2n1 3134423 HJKSIPKXGWOSBM-ZDUSSCGKSA-N 368.441 3.563 30 40 FHEB in-vitro COc1ccc(C)cc1-n1ccc(C(=O)Nc2sc(C)c(C)c2C#N)n1 65530617 IAHLGWKSMSQOMD-UHFFFAOYSA-N 366.446 3.992 30 40 FHEB Cc1cccc(C)c1-n1nnnc1SCc1cn2ccccc2c1C#N 14182435 KPCJOHPGIJRPEP-UHFFFAOYSA-N 360.446 3.696 30 40 FHEB CCc1cc2c(SCC(=O)[C@H](C#N)c3nc(C)cs3)ncnc2s1 7823482 MSIYLAGAOMUHNT-LBPRGKRZSA-N 374.516 3.987 30 40 FHEB N#Cc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409334314 XBGKZDWRKNLYBC-FRKPEAEDSA-N 366.423 3.693 30 40 FHEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc21 32593405 VZALNMZCTKZUKK-UHFFFAOYSA-N 372.808 3.512 30 40 FHEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008400 ZPDPMHAAEVWVGE-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 223053192 BESYKDKVUZGDQK-OAQYLSRUSA-N 364.489 3.729 30 40 FHEB COc1ccc(/C=C2/C[N+](C)(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 17196998 XRSINPISRKXUKH-LRVMPXQBSA-N 364.465 3.830 30 40 FHEB C=CCNc1nc(C(F)(F)F)nc2c1nnn2Cc1ccccc1Cl 4968065 QUWFTPMJCPYLQY-UHFFFAOYSA-N 368.750 3.540 30 40 FHEB NS(=O)(=O)c1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)cc1 33040393 KJIGYKZLCOYPKH-KGENOOAVSA-N 367.430 3.572 30 40 FHEB C=CCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c1C 100765355 FDIASNFMGGCVPP-WOJBJXKFSA-N 355.457 3.531 30 40 FHEB Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(Cl)c(N)c2)c1C#N 12260697 SBHDAZMWUPSWDH-UHFFFAOYSA-N 366.808 3.645 30 40 FHEB N#Cc1cccc([C@@H](c2nnnn2C2CCCC2)N2CCCCCC2)c1 57710769 ZYWQCSWVZKNUOJ-IBGZPJMESA-N 350.470 3.625 30 40 FHEB Cc1ccc(N2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 3172171 IVMXIROEDQUYIH-XSFVSMFZSA-N 358.283 3.914 30 40 FHEB C/C(=N\N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 13475802 VEYLEJHLEIWGBG-UFFVCSGVSA-N 356.223 3.640 30 40 FHEB Cc1[nH]c2ccc(C(=O)/C=C3\NCCc4cc5c(cc43)OCO5)cc2c1C 5423565 UTLLSPIFNAPIDU-GRSHGNNSSA-N 360.413 3.883 30 40 FHEB biogenic C=CCn1c(=S)sc2c(N/N=C/c3ccc(O)c(OC)c3)ncnc21 5743826 NEFOBTHISUTFQK-UFWORHAWSA-N 373.463 3.568 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 32124546 ASHPZTXLLGDLSA-LSCVHKIXSA-N 354.244 3.968 30 40 FHEB COc1cc(N2CCCC2)ccc1/C=N/OCc1cccc([N+](=O)[O-])c1 408595978 YKZMINOVAYHJTB-DEDYPNTBSA-N 355.394 3.754 30 40 FHEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3ccc(F)cc3F)nc2c1 35312179 GMPZNNRRKHZRHU-UHFFFAOYSA-N 366.371 3.535 30 40 FHEB C[C@H]1C[C@H](C)CN(C(=O)CC(C)(C)CC(=O)Nc2ccc(C#N)cc2)C1 199422691 RDOYABSVOHKKCF-HOTGVXAUSA-N 355.482 3.808 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3OC)NC2=O)cc1 5376416 ZGLSGIZGZSBWMT-YVLHZVERSA-N 370.430 3.604 30 40 FHEB Cc1cc(Br)cnc1N1CCC(C#N)(c2ccccn2)CC1 548822187 ULWDOGKSXVGTQU-UHFFFAOYSA-N 357.255 3.609 30 40 FHEB COc1ccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)cc1 20591408 ZLAYFGAZOJNDHD-UNOMPAQXSA-N 365.429 3.921 30 40 FHEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)c(C)nc21 2441748 CQIROSYMQJDADY-UHFFFAOYSA-N 361.449 3.835 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2OC)c(C#N)c1C 871407 SQFXPFXBEVKNIH-UHFFFAOYSA-N 371.462 3.671 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 6172428 NIZVFSZFSIEFGJ-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6314353 RMYORRMVRBLOGW-UHFFFAOYSA-N 359.491 3.997 30 40 FHEB N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8071637 FUXTVUGLSRWYTN-KRWDZBQOSA-N 363.442 3.910 30 40 FHEB C#CC(CC)(CC)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12699004 RHGFUIUJZMIHOG-UHFFFAOYSA-N 360.885 3.500 30 40 FHEB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(C#N)cc1 8324214 BBPBTKNHDYZMTP-LJQANCHMSA-N 361.401 3.666 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 9088666 JQRGZMDLINPLRE-KPZWWZAWSA-N 366.808 3.940 30 40 FHEB CCCCCS(=O)(=O)N1C(=O)[C@@H](CC)S/C1=N\c1ccccc1 16043893 KSSAKXGTVJGHIO-UPTRSRDDSA-N 354.497 3.548 30 40 FHEB C[C@H]1COC[C@@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 89941340 BAUVLRXPACMVIN-JXFKEZNVSA-N 366.486 3.780 30 40 FHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409317157 PHWMPMBKLPVXDM-UHFFFAOYSA-N 360.211 3.587 30 40 FHEB O=C(NCC#CCN1CCc2ccccc2C1)Nc1cccc(Cl)c1 75165057 SWODSZSBNWFIJV-UHFFFAOYSA-N 353.853 3.523 30 40 FHEB N#Cc1c([C@H]2CCCNC2)cc(-c2ccc(N3CCCCC3)cc2)nc1N 71775743 VKMNVXJMWQTVEY-KRWDZBQOSA-N 361.493 3.660 30 40 FHEB O=C(O)C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCCS1 5944429 FJFFSRCZVRQMDJ-VOTSOKGWSA-N 365.432 3.734 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 12032553 JMOQDPOLOYJNPT-BOPFTXTBSA-N 370.430 3.691 30 40 FHEB C#CCOc1ccc(Br)cc1CNCCc1ccc(OC)cc1 23424936 ZYOUCZKRQLKQKK-UHFFFAOYSA-N 374.278 3.802 30 40 FHEB Cc1cc(=O)oc2c3c(ccc12)O/C(=N\Nc1ccc(Cl)cc1)C3=O 5441881 LQPSSVIXZLNRGF-UZYVYHOESA-N 354.749 3.756 30 40 FHEB C=CCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccc(OC)cc1 11811324 PFDHDMUJESIOPV-SFHVURJKSA-N 367.474 3.965 30 40 FHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 12111604 AMAANBREAKKFGE-LJQANCHMSA-N 361.397 3.841 30 40 FHEB N#CCCN(CCC#N)c1ncc(Sc2ccccc2[N+](=O)[O-])s1 3196411 IIRLOTVBOUSYFG-UHFFFAOYSA-N 359.436 3.836 30 40 FHEB CCOCCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N 8253217 YSMNMRHXNSBTMM-VQHVLOKHSA-N 357.410 3.572 30 40 FHEB Cc1cc(OCC(=O)OCc2cn3ccccc3c2C#N)ccc1Cl 14897424 ALRAEGIEEXNTHN-UHFFFAOYSA-N 354.793 3.895 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cc(C)cc(C)c2)c1C#N 6962996 PCYIBEJJWVMXGC-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB CC1(C)Cc2c(C#N)c(NC[C@H]3CCCO3)nc(-c3ccco3)c2CO1 12437240 PKIMSFACWMKGFN-CYBMUJFWSA-N 353.422 3.655 30 40 FHEB CCc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165166 LLANKAMJSZIZFB-YWZLYKJASA-N 360.417 3.849 30 40 FHEB N#Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)c1 4177678 NYDNEVYNJMICGT-XLNRJJMWSA-N 358.184 3.943 30 40 FHEB CC(C)(C)OC(=O)N1CCC(Cn2cc(C#C[Si](C)(C)C)cn2)CC1 1857794313 BUTSGMNYYRGPOH-UHFFFAOYSA-N 361.562 3.759 30 40 FHEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)NC1=O 17242626 QDOCKAJYKHIDRL-OAHLLOKOSA-N 359.495 3.552 30 40 FHEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1 6562676 ZRSMEJYTXCXIBI-QGZVFWFLSA-N 358.825 3.802 30 40 FHEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 37197406 WHDCPPVKWQVRHF-PWSUYJOCSA-N 359.779 3.813 30 40 FHEB CN1/C(=C\C(=O)COC(=O)/C=C/c2ccco2)C(C)(C)c2ccccc21 32942971 FCAQLRQUWBILFK-SOXNPBTNSA-N 351.402 3.717 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccsc1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348412 CVHQIRCPOXQLJA-INIZCTEOSA-N 363.442 3.792 30 40 FHEB Cc1ccc(/C=N/N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c(C)c1 3327831 HTPWLCWXGHAOPE-SSDVNMTOSA-N 373.368 3.995 30 40 FHEB CCCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2109722 QHOGLBFSOKFMNL-UHFFFAOYSA-N 371.481 3.866 30 40 FHEB biogenic N#Cc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 2398680 KQWCMVDZYLXVJI-UHFFFAOYSA-N 360.398 3.978 30 40 FHEB CCOc1cc(/C=N/c2nnc[nH]2)ccc1OCCOc1ccc(C)cc1 4549414 HEOASVRSHIAFOX-FYJGNVAPSA-N 366.421 3.720 30 40 FHEB N#Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 7910063 LKQDJQKCXOTQGI-QGZVFWFLSA-N 362.458 3.944 30 40 FHEB COc1ccc(OCCN(C)C(=O)Nc2cc(C#N)ccc2Cl)cc1 88409291 FWGMWFHTQYZHBX-UHFFFAOYSA-N 359.813 3.763 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20761741 DJKVKMZDFIJLSK-FYJGNVAPSA-N 351.362 3.987 30 40 FHEB C=CCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)N1 49171528 UKTNKQQIOOIVIL-PMACEKPBSA-N 365.521 3.955 30 40 FHEB biogenic,in-vitro CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC#N)cc1 223004563 CEJMODUJXWRCAT-UHFFFAOYSA-N 350.827 3.606 30 40 FHEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\c1nnc(CC)s1 16769999 ITESGHRJDJVMDV-XGXQHEPRSA-N 362.505 3.952 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](C)CC1=O)N2 19959545 TULCBCLLYLIKHY-MGPLVRAMSA-N 358.442 3.797 30 40 FHEB N#CCCn1cc(C(=O)Nc2nccs2)c(-c2ccc(Cl)cc2)n1 4516917 NPPPNFKLNNRBIT-UHFFFAOYSA-N 357.826 3.826 30 40 FHEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1cccs1 974344 IPFSJOZBWTZJFN-KRWDZBQOSA-N 362.410 3.926 30 40 FHEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 24148038 HXWRLNSXRKWJJC-HNNXBMFYSA-N 374.444 3.793 30 40 FHEB O=C(CC/C(=N/Nc1ncnc2ccccc12)c1ccccc1)N1CCCC1 24841807 BZZDSBNLVZQSPT-PLRJNAJWSA-N 373.460 3.849 30 40 FHEB COc1cc(C#N)ccc1OC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44310288 IWAPRSFKRZRFFJ-UHFFFAOYSA-N 353.765 3.625 30 40 FHEB Fc1ccc(-c2cc(C(F)(F)F)n3nc(C(F)(F)F)nc3n2)cc1 26779601 MGFNXEMEBGEHBC-UHFFFAOYSA-N 350.197 3.968 30 40 FHEB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(C#Cc2ccccn2)c1 12536813 KRNBZKYDPWMCEA-UHFFFAOYSA-N 370.408 3.781 30 40 FHEB Cn1c([C@H](C#N)C(=O)COc2ccc3ccccc3c2)nc2ccccc21 3258320 BNYUSRDDRBVYDE-GOSISDBHSA-N 355.397 3.982 30 40 FHEB COCc1cc(C)nc(N/N=C\c2cccc(Br)c2)c1C#N 38198615 PEWITYRUXVQZEA-OCKHKDLRSA-N 359.227 3.617 30 40 FHEB Cn1cccc1/C=C1\S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O 5163769 BRHSBBGXEPHUSG-LCYFTJDESA-N 351.353 3.936 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502368 YHRMIFSXFOSEOD-FOIQADDNSA-N 360.417 3.904 30 40 FHEB Cc1cc(I)ccc1NC(=O)c1ccc(C#N)cc1 6566602 YAQCZAGYFDDXOM-UHFFFAOYSA-N 362.170 3.724 30 40 FHEB N#CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 409116657 JVQOHRKMQWFLOI-UVTDQMKNSA-N 355.191 3.844 30 40 FHEB N#C[C@@H]1C2=C(CCCC2)S[C@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408740767 MHSDCHVBXMYXNY-YZLDLZEOSA-N 374.378 3.668 30 40 FHEB COc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 40106917 DCVRHEIBGYURAT-UHFFFAOYSA-N 350.296 3.760 30 40 FHEB CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 95953484 CWVHVCQENVVBTF-SFHVURJKSA-N 367.474 3.898 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684878 JCUHJRSCKNCXSC-UHFFFAOYSA-N 354.475 3.864 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14007044 DQKTUVVBYZNHAX-ZDUSSCGKSA-N 358.825 3.662 30 40 FHEB N#Cc1ccc(OCCOC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 40010027 FRQDBPALKVEGMV-UHFFFAOYSA-N 355.777 3.610 30 40 FHEB CCCN1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2401017 RFZKTDGDIUKZJO-UHFFFAOYSA-N 372.309 3.928 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@H]2CCc3[nH]c4ccccc4c3C2)cc1 4982816 XBHFGSVNMRHGPO-HNNXBMFYSA-N 355.459 3.987 30 40 FHEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 8744568 QJUZYNWSNCHYJJ-KGLIPLIRSA-N 360.483 3.511 30 40 FHEB N#Cc1c(NC(=O)c2cncc(Br)c2)sc2c1CCCC2 939863 AZWITZGFJVOVSD-UHFFFAOYSA-N 362.252 3.908 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 1298352 LQURXTMSHVPTAA-UHFFFAOYSA-N 367.430 3.517 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)c(OC)c1OC 34849550 ALEYAEHJEAZORC-UHFFFAOYSA-N 367.449 3.887 30 40 FHEB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 7878539 UCOPQYLKQMXIMT-LLVKDONJSA-N 357.504 3.728 30 40 FHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccccc2)cc1 5071585 ITWBCSZDEZGLAG-KFNXNMOMSA-N 353.447 3.549 30 40 FHEB CCCC(CCC)=N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccccc1 4482175 QRLXYCSVTFXCGI-MEUCICPISA-N 361.467 3.922 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2 4646567 BJRKVCNTDTWVOA-ZIAGYGMSSA-N 358.463 3.884 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)C(C)(C)N(C)C2CCCC2)c1C 95995834 KFSBRGFYBDQNNP-UHFFFAOYSA-N 360.498 3.670 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OCC 408853580 PWJIGDWTFOOLIC-MJBRBLHISA-N 366.870 3.835 30 40 FHEB Cc1ccc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1Cl 35610597 NCKCTOJHHGDHGG-HKWRFOASSA-N 352.818 3.781 30 40 FHEB CC(C)(C)C1=CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N[C@H](S)N1 31829882 BVDFOKKUVTWZAG-INIZCTEOSA-N 362.455 3.501 30 40 FHEB COc1cccc(CN(Cc2ccc(C#N)cc2)C2CCC(O)CC2)c1 57265620 NHPXHBXOHMTBRI-UHFFFAOYSA-N 350.462 3.873 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc(O)cc2)c2ccccc2)cc1 6023491 FQIMMVZZDUKVLC-UHFFFAOYSA-N 366.442 3.948 30 40 FHEB O=C(C1=CC=CCC1)/C(=C\NC(=S)c1ccncc1)C(=O)c1ccccc1 1637395 IKGXYMVZLJVAOU-CYVLTUHYSA-N 374.465 3.959 30 40 FHEB CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1CCCC1 3188164 GIMDVDMMBPHBRG-BKUYFWCQSA-N 363.767 3.743 30 40 FHEB Cn1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 26015563 VENYXLORJVRWTF-ZDUSSCGKSA-N 354.460 3.512 30 40 FHEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1COc2ccccc2O1 24973638 CKTIOSSPEYQYLN-FQEVSTJZSA-N 361.422 3.926 30 40 FHEB CCCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196399 OWUNYDTVLZSZIU-HYARGMPZSA-N 358.438 3.625 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c(OC)c1 12860828 QNAMAEBUPIUPGY-OCKHKDLRSA-N 368.385 3.881 30 40 FHEB biogenic CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)n1 12923341 MIUPIKZAMHAWTE-UHFFFAOYSA-N 360.870 3.912 30 40 FHEB Cc1cc(SCC(=O)NC2CCCC2)n2c(nc3ccccc32)c1C#N 4270048 AQFHZPHIOBRLFY-UHFFFAOYSA-N 364.474 3.819 30 40 FHEB C[C@]12CC/C(=N/NC(N)=S)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118918569 YSALUCJHTGLMGQ-NBZAJRGSSA-N 363.571 3.579 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 5429896 NDFIDJFNGKDWPE-KSSFIOAISA-N 350.418 3.528 30 40 FHEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 4898515 IUYNOHCDQWSYCD-BZUAXINKSA-N 366.465 3.671 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c(F)c1 409203315 XBPYHOJVODNDOL-UHFFFAOYSA-N 367.163 3.800 30 40 FHEB O=C(Cc1cccc2ccccc12)NCC#CCN1CCc2ccccc2C1 70641616 FBQUVHMWHJNLLC-UHFFFAOYSA-N 368.480 3.560 30 40 FHEB COc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCC[C@@H]3C#N)c2)cn1 619806261 UIQITQPGGMIDAI-NVXWUHKLSA-N 350.422 3.879 30 40 FHEB N#Cc1ccc(CN2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)cc1 1888875990 ASABGGGWDGDBPD-IRXDYDNUSA-N 372.394 3.540 30 40 FHEB CCOc1ccc([C@H](O)C2=CC(=O)c3ccccc3C2=O)cc1OCC 2044389 KXPJCUKQZUTCQO-FQEVSTJZSA-N 352.386 3.523 30 40 FHEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21 20715610 AITUHZWFJBTFAG-JOCHJYFZSA-N 370.412 3.683 30 40 FHEB COC(=O)[C@]1(C)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@@H]2CC[C@@]52O[C@]25[C@]4(C)[C@H]2[C@@H]3[C@H]1[C@H]1CC[C@]5(C)[C@H]12 104294831 QOZOZVKTNHNZNM-WJBMCISZSA-N 366.501 3.517 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2ccc(F)cc2)s1 22925029 IKAVACHRZNHZOD-UHFFFAOYSA-N 355.485 3.827 30 40 FHEB CCOc1ccc(C/N=C(\S)N/N=C/c2ccc(OC)c(OC)c2)cc1 8686779 FCXLTQGDMSICFY-FYJGNVAPSA-N 373.478 3.512 30 40 FHEB N#Cc1c(-c2ccc3c(c2)OCO3)c(C#N)c2sc3ccccc3n2c1=O 3230774 ORHQERXQVUMWOU-UHFFFAOYSA-N 371.377 3.653 30 40 FHEB O=C(O)C(C(=O)/C=C/c1ccc(Br)cc1)=C1SCCS1 62716073 BJFKPRIQZODZLK-ZZXKWVIFSA-N 371.277 3.808 30 40 FHEB C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1cccc(C#N)c1 8273358 CNPYRFNQHFYNTJ-MRXNPFEDSA-N 362.429 3.940 30 40 FHEB CCC(=O)N1CCc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc21 95950179 YODYJYKKMACRCT-UHFFFAOYSA-N 365.458 3.660 30 40 FHEB O=S(=O)(/N=C(\O)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)CCC2 48612617 UZGFPGVBWCVTBR-LJQANCHMSA-N 355.459 3.941 30 40 FHEB COc1ccc(/C(C)=C/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 13407695 NKIBLZAXMSQEPZ-NBOILNHKSA-N 358.463 3.761 30 40 FHEB COc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCC3)cc1 17252560 ZFPJOBFIWDJARA-UHFFFAOYSA-N 367.856 3.934 30 40 FHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 3899954 UGGJJIHJCXHAPQ-VZJWBNGJSA-N 356.381 3.662 30 40 FHEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21 20715606 AITUHZWFJBTFAG-QFIPXVFZSA-N 370.412 3.683 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 20233519 UXGJYYOKWZHUJA-FYJGNVAPSA-N 350.443 3.559 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1C 3298656 GEOVLRSLMHSWTF-MRXNPFEDSA-N 371.849 3.939 30 40 FHEB Cc1cc(C)cc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc(C)c3)S2)c1 5126901 KVGMFAJWSVGADW-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB O=S(=O)(C#Cc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 84517734 SXMFIOOGCAXQRY-QGZVFWFLSA-N 368.483 3.772 30 40 FHEB O=C1C(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)c2ccccc21 408718336 SNSJAUOYIPTTHY-UHFFFAOYSA-N 374.146 3.526 30 40 FHEB N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCc2ccccc2C1 256048139 QZGSZXBBKASLLO-UHFFFAOYSA-N 369.350 3.720 30 40 FHEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9486666 QIJOCPXIIQYLIT-JWHLFPLYSA-N 358.777 3.897 30 40 FHEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 29756874 AGJABFTWBOEBME-VIFPVBQESA-N 350.205 3.853 30 40 FHEB COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)o2)c1 7006630 QQPQSNQCFZZHBH-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccnc2Cl)c1C#N 2745317 DVPFVSMCPWXFKE-UHFFFAOYSA-N 363.826 3.794 30 40 FHEB CCOC(=O)/C(=C\c1ccc(N2CCC(c3ccccc3)=N2)cc1)C(C)=O 35085638 MOICTNVFTWFQIG-HKWRFOASSA-N 362.429 3.837 30 40 FHEB CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(C#N)cc1 8395812 XPJUTVYCCXAJKL-GOSISDBHSA-N 355.438 3.508 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccc(Cl)cc1 5010609 UAUTWXPLCVBCKR-UHFFFAOYSA-N 355.850 3.662 30 40 FHEB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 14135051 HIJKWWMTWXHLPF-GOSISDBHSA-N 374.227 3.832 30 40 FHEB CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 4540724 TVNZVRNXLLEPQN-IBGZPJMESA-N 359.425 3.990 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OC 5675515 STHSOGPQFSGCGR-MNCUKKGWSA-N 359.381 3.717 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 7709641 KAWHBFZXVBUVIP-UHFFFAOYSA-N 362.476 3.724 30 40 FHEB CN1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2cc(F)ccc21 72685809 SETUZIZKHBGUMA-UHFFFAOYSA-N 363.396 3.594 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)C3(c4ccccc4)CC3)CC2)OC1(C)C 1776007500 HDCDJOWCARYQHQ-UHFFFAOYSA-N 353.271 3.508 30 40 FHEB N#C[C@@]1(c2ccccn2)CCCN(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1 685939005 USQNUHXZQOTNME-UEXGIBASSA-N 352.482 3.617 30 40 FHEB COc1ccc(-c2nc(NCc3ccc(F)c(C)c3)nc(O)c2C#N)cc1 40130035 XFFPJUSDMSGECM-UHFFFAOYSA-N 364.380 3.789 30 40 FHEB CC(=O)c1cc(C#N)c(SCC(=O)NC2CCCCCCC2)nc1C 40161949 OCSCJVMRBHAIQH-UHFFFAOYSA-N 359.495 3.786 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@H](c2ccccc2)C[C@]1(C)O 107173230 KKHGJDYWHZQWDQ-CZYKHXBRSA-N 358.441 3.947 30 40 FHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 102888932 IAYVZBZKVMSPJY-LFVOPCPISA-N 374.396 3.918 30 40 FHEB C#CC(CC)(CC)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10947065 XHWBZBSMVIYNTK-UHFFFAOYSA-N 353.491 3.908 30 40 FHEB N#Cc1c(N)sc2c1CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 18175299 NVTROOUIRKANFI-UHFFFAOYSA-N 368.340 3.692 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl 7191721 HRTNNRCRFWPCRM-BONVTDFDSA-N 373.678 3.924 30 40 FHEB COc1ccccc1/N=N/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1 9136268 KPRDRWYTLOOYSO-KEHXRJDYSA-N 362.393 3.645 30 40 FHEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)c1 223749334 BRIGBTVMPAHAHH-QJOMJCCJSA-N 373.428 3.860 30 40 FHEB NC(=S)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 6132545 RNIDTVNNZVJRRV-UFWORHAWSA-N 354.262 3.740 30 40 FHEB CC/N=C1/S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC 5823480 PBLPJDPIGBTGLS-PKOZXGCMSA-N 354.859 3.669 30 40 FHEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 103807676 ZEWUYNOYYXDWTO-GPYFYPFSSA-N 373.518 3.880 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)o2)n1 23105213 XPLSMBWKTNDXOY-SECBINFHSA-N 362.461 3.532 30 40 FHEB COc1ccc([C@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 58306433 AGZWLIQHGVBXBE-IBGZPJMESA-N 363.413 3.883 30 40 FHEB CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 16742394 LVOLYKMFHNDMHV-INIZCTEOSA-N 357.431 3.745 30 40 FHEB COc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 4663900 GJSZIRGDKVNMQC-IBGZPJMESA-N 357.409 3.997 30 40 FHEB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N(C)C3(C#N)CCCCC3)ccc12 8735104 HBDKFMKCBZWWSF-OAHLLOKOSA-N 368.433 3.554 30 40 FHEB COCC#CCSc1nnc(Cc2cccs2)n1-c1ccccc1 89409636 MKBYXMADUDKTOG-UHFFFAOYSA-N 355.488 3.662 30 40 FHEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(CCC)cc1)C2 96229928 ZIDKOPMYXAOKQE-JOCHJYFZSA-N 354.494 3.812 30 40 FHEB COc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 837107 UEATXQKCWADWBC-HZHRSRAPSA-N 355.397 3.954 30 40 FHEB N/C(=N/c1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 17076407 IEBVRLZPPFZZOK-UHFFFAOYSA-N 373.338 3.514 30 40 FHEB C/C(=N/NC(=S)Nc1ccc(C(=O)O)cc1)c1ccc2ccccc2n1 5502902 JVJXSTOFYKNUMS-UUYOSTAYSA-N 364.430 3.644 30 40 FHEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccccc2o1 5034084 CDNCEMOZUUKPFG-UHFFFAOYSA-N 359.432 3.812 30 40 FHEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N2CCOCC2)c1 11334620 RXFMDFLQKQLQIQ-FNORWQNLSA-N 372.808 3.981 30 40 FHEB Cc1ccc(CCC2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 29168382 XFUHRZPKZHXNRY-JOCHJYFZSA-N 355.526 3.694 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 6062794 XFBFQBXBSWAHKF-UHFFFAOYSA-N 372.421 3.753 30 40 FHEB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 100698961 RBLSIFNEKGLQLS-LJQANCHMSA-N 373.372 3.590 30 40 FHEB COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 105147617 IHIGTVDTHRAYFF-UWVJOHFNSA-N 355.272 3.774 30 40 FHEB Cc1cc(C(N)=O)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 41931727 BJESLQABLSSGIA-UHFFFAOYSA-N 355.397 3.885 30 40 FHEB COc1cccc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1O[C@@H](C)C(=O)O 409222034 BHKPCXBVBZSXIO-ZTPSMGMTSA-N 358.350 3.514 30 40 FHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 14198319 VNXBTAKYDRCOQX-GOSISDBHSA-N 357.816 3.502 30 40 FHEB CSc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608326 PNUDYMLODGJNLJ-HWPZZCPQSA-N 372.519 3.990 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 408916488 DFYZBJDAINMLNC-GZTJUZNOSA-N 354.406 3.903 30 40 FHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 225143776 OLMVQFXDJWUFST-UHFFFAOYSA-N 358.828 3.691 30 40 FHEB CCOC(=O)c1cc(C#N)c(SCc2cccc([N+](=O)[O-])c2C)nc1C 40127528 GHTPIDIHQKVELJ-UHFFFAOYSA-N 371.418 3.947 30 40 FHEB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(CC#N)cc1 225449688 BBABZBCQXZKGCB-UHFFFAOYSA-N 361.474 3.733 30 40 FHEB CCOP(=O)(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)OCC 1776004214 MUDKQNVWCNKDBV-UHFFFAOYSA-N 352.371 3.816 30 40 FHEB C[C@H]1Cc2cc([C@H](O)CN3CCC(C#N)(c4ccccc4)CC3)ccc2O1 13999871 YZOLXXUFBBCWAZ-LAUBAEHRSA-N 362.473 3.601 30 40 FHEB CC(=O)N1/C(=C/c2ccccc2O)C(=O)c2cc(Br)ccc21 4482645 XACUKTZRXCFZGM-OVCLIPMQSA-N 358.191 3.745 30 40 FHEB C=C1CC[C@@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 257370959 GKBWOXATOXYNRG-LGHFJMAJSA-N 350.455 3.632 30 40 FHEB biogenic,in-vitro C=CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccncc1 13238791 NGLHTEMLZRSLHH-UHFFFAOYSA-N 352.419 3.517 30 40 FHEB C=CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 101324173 TVZCJKOPJQLVLI-MRXNPFEDSA-N 354.435 3.933 30 40 FHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 6303997 NYEGRULHAJXTNS-UHFFFAOYSA-N 364.474 3.786 30 40 FHEB O=C1N/C(=N\N=C/c2ccc(Br)cc2)S[C@H]1c1ccccc1 9189496 FNAWFUVYZDQEOE-KPYNCUPYSA-N 374.263 3.743 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 4472285 MWKQQMVCXVLYKT-DHZHZOJOSA-N 371.199 3.514 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccco1 409298479 XBZPVISXTRSSRK-IAJFVOMFSA-N 372.222 3.862 30 40 FHEB O=C1c2ccccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1O 15932731 KLGYIJPUSMOYKL-KRWDZBQOSA-N 351.318 3.811 30 40 FHEB N#Cc1c(NC(=O)Cc2ccccc2C(=O)O)sc2c1CCCCC2 71280394 DWFOHOSFXFFPRK-UHFFFAOYSA-N 354.431 3.768 30 40 FHEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408926434 NIZVDFHXKXOWPD-RGEXLXHISA-N 362.769 3.872 30 40 FHEB C=CCN1CC[C@]2(CN(Cc3ccc(C)s3)C[C@@H]2c2nccs2)C1=O 306129969 ISTBVOOOWJHWNR-VQIMIIECSA-N 373.547 3.517 30 40 FHEB CC1(C)OB(c2cc(Br)ccc2OC(F)(F)F)OC1(C)C 642814380 GRXGLWLGJHGJST-UHFFFAOYSA-N 366.970 3.647 30 40 FHEB N#CC1(C#N)[C@@H](c2cccc(F)c2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5066384 GVGVMAUFZVITNQ-LNKGRISISA-N 364.380 3.725 30 40 FHEB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 5981206 KGJSSJIVUJHXHQ-LLVKDONJSA-N 362.307 3.761 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 4909968 LNPXOWKEEQTJHE-PJKUKWEASA-N 367.474 3.858 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5203745 RIDQMOCZEPJQEZ-YCRPNKLZSA-N 372.428 3.708 30 40 FHEB COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)cc1 6202440 MMRIWEAMDXLODW-LJQANCHMSA-N 352.459 3.994 30 40 FHEB Cc1cccc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 101101770 WWHXAUONMNFVPM-PYCFMQQDSA-N 352.434 3.896 30 40 FHEB C=CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C 9926679 PZVFNFBLEVPOOC-UHFFFAOYSA-N 374.853 3.721 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 664531 XDHDWXUJIOXDFD-LFIBNONCSA-N 355.825 3.826 30 40 FHEB COc1cc(/C=N/c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccco1 1464896 UDMWDDDRPUOAHE-SRZZPIQSSA-N 365.341 3.987 30 40 FHEB CCCCCCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 2343575 UGBJDACYGRPOCQ-UHFFFAOYSA-N 372.465 3.860 30 40 FHEB N#Cc1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCC(F)(F)F 48344660 YSRRHIMCCXHPDF-UHFFFAOYSA-N 352.287 3.820 30 40 FHEB N#Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 12824207 CYXACTCHHXLXML-INIZCTEOSA-N 365.389 3.969 30 40 FHEB CN(Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4073461 QLVBIAQQOPHQOC-MTMVXOAJSA-N 369.505 3.645 30 40 FHEB biogenic COc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 6182421 YXWCRZLQILFIOP-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB N#CCSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F 5568682 OYJHCTLUBXDICX-UHFFFAOYSA-N 363.776 3.933 30 40 FHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 5923963 NOUISZWNQOUCIT-HNNXBMFYSA-N 367.474 3.837 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccccc1OCc1cscn1 503485650 JWSBPQZOAIDELK-UHFFFAOYSA-N 365.414 3.611 30 40 FHEB O=C1CCCC2=C1C(c1ccc(Br)o1)C1=C(CCCC1=O)N2 409212332 QAIPBXKJQALIQG-UHFFFAOYSA-N 362.223 3.743 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 225769655 VNUYFPNOGZKDJZ-UHFFFAOYSA-N 350.418 3.644 30 40 FHEB Cc1cc(C)c2nc(NCCNC(=O)NCc3ccccc3)c(C#N)cc2c1 20150327 JIZKPEZLOLVVBS-UHFFFAOYSA-N 373.460 3.635 30 40 FHEB CC1=C(O)C(=O)C(c2c(C)cc(C)c(Br)c2C)=C(O)C1=O 1610650 MOMQVHNCBIQCDX-UHFFFAOYSA-N 351.196 3.627 30 40 FHEB N#C[C@H](C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl 11692173 NCDISMGNCKMIBY-AWEZNQCLSA-N 354.841 3.897 30 40 FHEB CCN(CC)CCNc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2 1246195 YEFJMVXNVKXFDL-UHFFFAOYSA-N 358.530 3.757 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccco3)c2C#N)C1 12604156 OZHXCKKWLNOJJH-HOSRBBHYSA-N 370.430 3.533 30 40 FHEB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCCC2 3316107 TWTYIZJNDUSPEC-CYBMUJFWSA-N 351.475 3.888 30 40 FHEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 39570144 YCAVJVPHYWBSSV-JOCHJYFZSA-N 355.397 3.679 30 40 FHEB CCCNc1nc(-c2cccc(Br)c2)c(C#N)c(N)c1C#N 96336601 BNRMNIPSGNVMJU-UHFFFAOYSA-N 356.227 3.659 30 40 FHEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1C1CCCCC1)c1cccc2nsnc12 76767199 CFUKVMBZRXIBBF-RYUDHWBXSA-N 365.480 3.553 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218342369 CBSWNRDHHHGICS-DLBZAZTESA-N 356.834 3.622 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)s1 39989300 PLBRZYSJNVUZPV-GFCCVEGCSA-N 353.444 3.751 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224743755 FKYSVQCGBNMBOF-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)cc1C 223749422 QQOKSJABXIIYPC-QJOMJCCJSA-N 373.428 3.860 30 40 FHEB C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(OCC(F)(F)F)o1 594051504 NVFJSTBTWBSMDK-LLVKDONJSA-N 352.312 3.926 30 40 FHEB C=CCc1cc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)ccc1OC 19932039 UTXFJVIQACDVLR-UHFFFAOYSA-N 355.434 3.713 30 40 FHEB COc1cccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1OC 2590113 RJMRVGOTKSIIMO-XNTDXEJSSA-N 358.394 3.735 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccs3)ccc21 8958762 CUXXFKKEXUAJDH-UHFFFAOYSA-N 356.447 3.938 30 40 FHEB CCN(CC)C(=O)c1c(C)nc(SCCOC)c(C#N)c1-c1ccco1 32842608 MIMMFGJGEFJPHE-UHFFFAOYSA-N 373.478 3.742 30 40 FHEB C=CCNC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 23732663 OOMGKKCJWLGYJL-UHFFFAOYSA-N 371.431 3.567 30 40 FHEB CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 2393890 ZDKUQLRWZWWVFK-REYLQNMUSA-N 371.462 3.922 30 40 FHEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2395548 OOVVWAAWJNIBMN-MRXNPFEDSA-N 366.465 3.961 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(F)cc1 3454963 FVCZXZJWWGLHQK-UHFFFAOYSA-N 374.485 3.811 30 40 FHEB O=C1C(=Cc2ccc(I)cc2)C(=O)c2ccccc21 409392897 TVRISLZIGDFZEM-UHFFFAOYSA-N 360.150 3.754 30 40 FHEB CC1(C)Cc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C#N)CO1 4785795 CMCOQXDZDSCIAD-UHFFFAOYSA-N 357.391 3.632 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 6909852 REBJPKUAUDPCHN-UHFFFAOYSA-N 357.266 3.810 30 40 FHEB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C#N)c3)n2)cc1 6916203 DRXAGPJLYCWKKH-UHFFFAOYSA-N 363.446 3.637 30 40 FHEB C/N=C1\S/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)N1C 408772801 NEDWOSGZLXRONX-HUXZFSOPSA-N 370.434 3.534 30 40 FHEB CC(=O)Oc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408757184 VKCHBKGYQNANAJ-BOPFTXTBSA-N 352.415 3.812 30 40 FHEB N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N 5224758 LBJXBMCTQJSXDW-UHFFFAOYSA-N 371.469 3.900 30 40 FHEB COc1ccccc1OCc1nnc(SCc2ccccc2C#N)o1 19928386 WWIUAUZDWCVQKJ-UHFFFAOYSA-N 353.403 3.821 30 40 FHEB N#Cc1ccc(CN2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)cc1 1888875988 ASABGGGWDGDBPD-CALCHBBNSA-N 372.394 3.540 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 4574941 WNHANOPIIIHNGB-INIZCTEOSA-N 350.418 3.551 30 40 FHEB CC[C@@H](C)n1c(SCC(=O)N(C)C(C)(C)C#N)nnc1-c1ccccc1 58249786 MUXYNCVMCGFRGE-CQSZACIVSA-N 371.510 3.769 30 40 FHEB C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@](C)(CC)OC2 8691041 ZNWWFVSDWQOFOT-KRWDZBQOSA-N 368.524 3.639 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 5529738 PNJRPUVGJHDEPC-BOPFTXTBSA-N 370.430 3.604 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 409356726 HGJUUOKWWZLOFV-UHFFFAOYSA-N 365.776 3.898 30 40 FHEB C=CCN(c1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 224367811 MOXOWGHYCMOWMY-UHFFFAOYSA-N 372.490 3.596 30 40 FHEB O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1c1ccccc1 12376748 OVQRISXFOYLSBF-CIWBWUJOSA-N 374.263 3.919 30 40 FHEB NC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 4292818 GJAXQLTVQJRPNM-FYJGNVAPSA-N 365.245 3.905 30 40 FHEB Cc1c(C(=O)O[C@H](C)C(=O)Nc2sccc2C#N)oc2ccc(F)cc12 7831532 PDXYQDSJBCALJH-SNVBAGLBSA-N 372.377 3.998 30 40 FHEB CN1/C(=C/C=N/C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[C@@H]2C=CC=C[C@@H]21 101843528 IJRRUYMZNVYBEO-WNBWINDTSA-N 367.449 3.665 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3ccccc3F)NC2=O)c(OC)c1 8658413 AQZPOIGIJLUVKR-CXUHLZMHSA-N 358.394 3.735 30 40 FHEB CCn1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c2ccccc21 48220944 YNJMZGVXOORNTN-UHFFFAOYSA-N 372.472 3.885 30 40 FHEB C/C(C(=O)c1ccc(F)cc1)=[N+](/[O-])[C@H](/C(=N/O)c1ccccc1)C(C)C 13098335 FRHDJPGUKQJNGY-PQQOVNPBSA-N 356.397 3.883 30 40 FHEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6540401 DBOCTPUUJRTPBT-CQSZACIVSA-N 352.390 3.566 30 40 FHEB CNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2)c1=O 4667405 UWBCNTCTAWMNBH-BJMVGYQFSA-N 374.234 3.756 30 40 FHEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccccc3F)o2)cc1 408778507 GOXGPIJGALZAGP-CIAFOILYSA-N 372.421 3.956 30 40 FHEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2ccccc2F)c1N 225841355 XUDLWHHAMLPCOQ-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4O[C@]4(C(C)C)C[C@@]3(O)CC[C@H]21 5086736 NIVDSAIYKQNARX-SCUQKFFVSA-N 350.499 3.701 30 40 FHEB O=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 12428686 BYULKXUGMYBJKD-PCQWDSEFSA-N 357.353 3.571 30 40 FHEB N#Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364484 SLSIQWVGWZJBLL-QGZVFWFLSA-N 355.397 3.717 30 40 FHEB C=C(C)Cn1c(=O)n2nc(-c3cccnc3)nc2c2c(CC)c(C)sc21 32088249 QKVDVFXETCTQDU-UHFFFAOYSA-N 365.462 3.615 30 40 FHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 3904139 OPCBTWZIBXRBKH-SFGWALBWSA-N 362.429 3.552 30 40 FHEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 7982285 RKRZSIIRBZOPLC-MRXNPFEDSA-N 367.836 3.703 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1C1CCCCC1 9456818 GGEBLQMDOGHSKF-AWEZNQCLSA-N 350.532 3.765 30 40 FHEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O 943200 XHNFGVKQEZILQP-UHFFFAOYSA-N 365.458 3.622 30 40 FHEB Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CCC(C#N)CC3)cn2)c1 57991654 KBMIKLSYKAWVJH-UHFFFAOYSA-N 364.449 3.936 30 40 FHEB C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 4857040 LNLOTZUBRNFARY-GFCCVEGCSA-N 350.509 3.853 30 40 FHEB COCCn1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3)SC2)c1C 5859492 NDPRWJYTBHWAPO-UHFFFAOYSA-N 360.458 3.619 30 40 FHEB COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 97492032 ZAQKVTWUKFWNHZ-UHFFFAOYSA-N 372.852 3.631 30 40 FHEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408720112 XNHADTYHXKWWHB-YPTNZUMGSA-N 366.804 3.741 30 40 FHEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751278 ZKRSNFPZBPUGOG-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1 224733564 BKJVDUYZVCJASN-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB COc1ccc(Cc2n[nH]c(/N=C(\O)Cc3c[nH]c4ccccc34)n2)cc1 95480461 CKINLCDJTSEVMF-UHFFFAOYSA-N 361.405 3.716 30 40 FHEB CCc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccc(C)cc3)N2)cc1 2435126 RFZNGLTVXIFNOS-QGZVFWFLSA-N 350.422 3.502 30 40 FHEB COc1ccc([C@H]2NC(=O)N(C)C=C2C(=O)/C=C/c2ccc(C)cc2)cc1 12407679 BSKJQLBIFMYDKB-CDDKBXLESA-N 362.429 3.866 30 40 FHEB CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2367032 WQQIXFOUKOQUCN-HOTGVXAUSA-N 366.465 3.817 30 40 FHEB aggregator COc1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409073195 VJWMPJVYKFUROE-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB COc1cc(/C=C2/CC(=O)Nc3ccc(F)cc3C2=O)cc(Cl)c1O 96010312 YOODZUZUTUQDRS-WMZJFQQLSA-N 361.756 3.802 30 40 FHEB Cn1ncc2c1CC/C(=C\c1ccc(OCc3cscn3)cc1)C2=O 97112616 DGRYTFWGVYSVFP-RIYZIHGNSA-N 351.431 3.668 30 40 FHEB C=CCn1c(SCc2cc(NCC)ccn2)nc2ccccc2c1=O 89977936 FQZFFPMMRQEQLW-UHFFFAOYSA-N 352.463 3.702 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccccc2O)S1 408752929 MHKYFJPGNTWEKV-OQLLNIDSSA-N 355.375 3.500 30 40 FHEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 33827081 ZHAXFPYRQYOEDN-WQRHYEAKSA-N 364.445 3.671 30 40 FHEB CN(c1cccc(/N=C/c2cccc(Br)c2)c1)S(C)(=O)=O 19855735 CHAMFKUDQWMBKS-GZTJUZNOSA-N 367.268 3.596 30 40 FHEB COc1ccc2c(c1)CC/C(=C\c1ccc(OCCN(C)C)cc1)C2=O 1611917 AHJRMHKPTKWZDQ-NBVRZTHBSA-N 351.446 3.848 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 2463564 ZJRDFCZNGYQAJZ-DOTOQJQBSA-N 370.474 3.763 30 40 FHEB CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 32808486 RQTPLNPFLBSZPW-SFHVURJKSA-N 368.393 3.832 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@H](C[C@@H]12)[C@@]1(C(C)C)O[C@H]13 104135419 JUHNXYHDDHYJAM-SYKCWHKLSA-N 362.510 3.965 30 40 FHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 4460958 WKPPEZGMWARDKV-VFOOBRQFSA-N 371.437 3.806 30 40 FHEB COc1cc(/C(N)=N\OCc2c(F)cccc2Cl)ccc1OC(F)F 96297690 IDKOHTKGQAIBQA-UHFFFAOYSA-N 374.746 3.926 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20761746 WNAXLISRQDWRKN-FYJGNVAPSA-N 351.362 3.987 30 40 FHEB Cn1c([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc2ccccc21 97162339 SZWLTIVDLUEAMB-NSHDSACASA-N 354.753 3.625 30 40 FHEB CC#CC[C@H](C)[C@H](O)/C=C\[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 218080781 HIFJCPQKFCZDDL-JBWHDPPTSA-N 360.494 3.541 30 40 FHEB CCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O 85480136 NBMAHNZMRSQCPG-GOSISDBHSA-N 358.475 3.945 30 40 FHEB C[C@@H]1COCCN1/C(O)=N/Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 329881241 OGFPJDVYXHPZHU-ZBFHGGJFSA-N 371.506 3.550 30 40 FHEB N#Cc1c([C@@H]2CCCNC2)cc(-c2ccc(N3CCCCC3)cc2)nc1N 71775742 VKMNVXJMWQTVEY-QGZVFWFLSA-N 361.493 3.660 30 40 FHEB O=[N+]([O-])c1ccccc1/C(=N/c1ccccc1)c1c(O)cc(O)cc1O 16955280 AUHFOUMTECBUMR-VXPUYCOJSA-N 350.330 3.881 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc(F)cc2)nc1Br 19872934 SHRDQZLRVOUDJM-UHFFFAOYSA-N 351.175 3.800 30 40 FHEB Cn1c([C@H](C#N)C(=O)c2ccccc2Br)nc2ccccc21 1041949 GDBJHOUZVNOFOS-GFCCVEGCSA-N 354.207 3.826 30 40 FHEB COc1ccc2c(c1)CC/C(=C/c1ccc(OCCN(C)C)cc1)C2=O 8652768 AHJRMHKPTKWZDQ-JXAWBTAJSA-N 351.446 3.848 30 40 FHEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 20519011 NNIOBXOAWGMBMW-SXGWCWSVSA-N 374.234 3.833 30 40 FHEB C[C@H](NCC(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 14188692 XEZVWZQOIDRMNY-LBPRGKRZSA-N 358.239 3.610 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1C 5551722 STAYMMLVGNMTSS-MFOYZWKCSA-N 352.415 3.924 30 40 FHEB Cc1ccsc1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 6785793 JYXBPKCFOJNZEJ-VCHYOVAHSA-N 366.475 3.876 30 40 FHEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCC#N)cc3)S2)cc1 408786875 WYYAKRTUUXRJPT-LVSKKATPSA-N 365.458 3.751 30 40 FHEB N#CCCSc1ccccc1NC(=O)CCNC(=O)c1ccsc1 95953468 GKURUTUAOUYTQI-UHFFFAOYSA-N 359.476 3.512 30 40 FHEB CN(C)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 68341053 VCRQROCDSSPVSZ-KRWDZBQOSA-N 365.502 3.876 30 40 FHEB COC(=O)Cn1/c(=N\N=C(\C)c2ccc(C)cc2)sc2ccccc21 17175166 GMZIFRCYPITMIO-ZSTRDAJGSA-N 353.447 3.509 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OCC 4613907 LHYLOFDZVRRZRA-GDNBJRDFSA-N 373.840 3.819 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1 2631836 NUQXURSEJDOHIH-KEBDBYFISA-N 356.369 3.635 30 40 FHEB C=CCc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 35870898 AGTFODABWZNLTD-UHFFFAOYSA-N 364.445 3.643 30 40 FHEB C[C@@H](/N=C(\O)c1ccc(-c2nnn[nH]2)cc1)c1cccc(C(F)(F)F)c1 12947239 OMZJPKRUULGTHZ-SNVBAGLBSA-N 361.327 3.951 30 40 FHEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1C1CCCCC1 409408872 RXOVIQQMZIUVQU-CPLUKWAASA-N 365.477 3.751 30 40 FHEB Cc1cc(C)c2c(c1)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2 15015992 YZJCNSAUJIVECW-PEZBUJJGSA-N 367.405 3.656 30 40 FHEB C=CCN(CC=C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 7978849 OFSBVTXWAFSSEX-UHFFFAOYSA-N 365.429 3.623 30 40 FHEB CC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 9303028 MDFDEFGCSPMYBK-LKEIMFIWSA-N 362.381 3.978 30 40 FHEB COc1ccccc1/N=C/c1ccc(O)c(I)c1 408904573 LPEWRRUKCYEHFG-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB C=CCc1cc(C(=O)NCCCN2CCCc3ccccc32)ccc1OC 218661115 KVFACZBDBIHCOY-UHFFFAOYSA-N 364.489 3.996 30 40 FHEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cccc(Cl)c1C 96610934 AYNCUGFMUYCSDX-CAPFRKAQSA-N 371.784 3.747 30 40 FHEB C=CCc1cccc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc12 4593584 CVAJAETVXHAONK-UHFFFAOYSA-N 368.477 3.561 30 40 FHEB N#Cc1ccc(F)c(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 30590403 HOWXJMDCBXLHCK-LJQANCHMSA-N 366.440 3.874 30 40 FHEB O=c1c(Br)c(N/N=C/[C@@H]2CC=CCC2)cnn1-c1ccccc1 957110 LORWOLWJXSRZSG-OTGIAGGSSA-N 373.254 3.749 30 40 FHEB COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc(OC)c1O 23609734 NBIHAULHELHRKK-MDZDMXLPSA-N 364.401 3.800 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 3287774 LJLMPRKGAAKVTQ-UHFFFAOYSA-N 369.424 3.783 30 40 FHEB N#Cc1ccc(Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814464 OPRTZPSNJSRUST-UHFFFAOYSA-N 359.307 3.746 30 40 FHEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1 4436062 WRTQBTBRPXLROP-HNNXBMFYSA-N 358.492 3.744 30 40 FHEB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccccc1C#N 6558500 VTLUHIWPIJZFHH-RDRICISKSA-N 371.396 3.690 30 40 FHEB O=C(CO/N=C1/CCCCCN1)Nc1ccc(OCc2ccccc2)cc1 6601440 XEZSHOAHJHQCEG-UHFFFAOYSA-N 367.449 3.698 30 40 FHEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc(OC)c1OC 408980471 REGJWNZZQTVDFK-UHFFFAOYSA-N 361.401 3.726 30 40 FHEB Cc1ccc(Cl)cc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 95972537 BCZBDOZTCYITJT-UHFFFAOYSA-N 356.813 3.755 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]21)c1ccccc1 409368898 RSXOGLUTSSUIDL-CZAYHTPWSA-N 366.420 3.953 30 40 FHEB C=CCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC 224998249 SMEOLVNVMWVOME-UHFFFAOYSA-N 352.434 3.513 30 40 FHEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)c1 83316653 ALPCAHLWQHYCGA-YVLHZVERSA-N 367.430 3.972 30 40 FHEB O=C(CC1CCCCCC1)N1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 1775992688 UEFMMJWHSPTXJQ-NHCUHLMSSA-N 370.537 3.600 30 40 FHEB O=C(C[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O)c1ccc(Cl)cc1 16805929 GNCRRARWWCMVAQ-MBTVCVBTSA-N 371.849 3.535 30 40 FHEB C[C@H]1C[C@H](C)CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C1 18066931 NKEGAOUJCUCSFW-VCASGEJDSA-N 356.491 3.800 30 40 FHEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1cccnc1 1436811 LIDXYOMKQNJGAM-JHDSZEHQSA-N 357.504 3.649 30 40 FHEB CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2ccc(C)s2)c1C#N 26984775 WNNLLWDGXLRPES-UHFFFAOYSA-N 372.471 3.962 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCCc3ccccc32)n1 10266898 ALLVDOFHVSVBAU-SFHVURJKSA-N 351.475 3.856 30 40 FHEB FC(F)(F)c1ccccc1NC(=S)N/N=C/c1ccc2c(c1)OCO2 3261780 NMNBIMJVGGZJJJ-DNTJNYDQSA-N 367.352 3.755 30 40 FHEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5163057 KTUGLPUSSRUXRG-NVMNQCDNSA-N 356.349 3.772 30 40 FHEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 6498384 KFXJZDILTSMDFK-UHFFFAOYSA-N 350.422 3.946 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8743660 XOMIKTJMVYGCFX-YPMLDQLKSA-N 368.343 3.565 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 5444125 SVDAFCHMCQFMAW-GOSISDBHSA-N 351.402 3.627 30 40 FHEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 20612417 FKXAMXHPWXNDIH-RBFBNPFJSA-N 363.413 3.777 30 40 FHEB biogenic Cn1c(N/N=C/c2cc(C(C)(C)C)cc(C=O)c2O)nc2ccccc21 30955038 ZYXJYVIZMJDTPH-SRZZPIQSSA-N 350.422 3.835 30 40 FHEB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c2c1 4406477 RGGHQOKHZCTTET-LLVKDONJSA-N 352.419 3.562 30 40 FHEB CN(C)CCCSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 6764272 XUSGKWDFWNHHKI-UHFFFAOYSA-N 358.555 3.866 30 40 FHEB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 32802824 PBYPSZLZRGLVRJ-UHFFFAOYSA-N 362.351 3.778 30 40 FHEB CC(C)[C@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 32836212 IMPBUXDREHALEK-NRFANRHFSA-N 352.434 3.695 30 40 FHEB C=CCN1c2ccc(C(=O)N[C@H](C)CC)cc2-c2ccccc2S1(=O)=O 33271869 ZCNZNMISCQFWHE-CQSZACIVSA-N 370.474 3.577 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 4603632 ISLADKMLDMQIBY-MHWRWJLKSA-N 368.370 3.833 30 40 FHEB CCOc1ccc(/C(CCC(=O)O)=N/Nc2cccc([N+](=O)[O-])c2)cc1 5560453 LDKVGGVZMLYSFB-LVZFUZTISA-N 357.366 3.675 30 40 FHEB CCN(Cc1ccccc1)c1ccc(/C=N/N2C(=O)CSC2=S)cc1 5691236 BAFYCPKIMZGVDG-UDWIEESQSA-N 369.515 3.907 30 40 FHEB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 18219462 NWPQTNIIWJJALE-HNNXBMFYSA-N 358.442 3.797 30 40 FHEB C=CCN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccs1 9156278 QPZPWERXKWQFCL-UHFFFAOYSA-N 369.490 3.502 30 40 FHEB COc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408587910 AOFNBOOLNYOLMY-DEDYPNTBSA-N 351.362 3.945 30 40 FHEB N#Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 333927645 WOTODVGBYJORPZ-IBGZPJMESA-N 352.459 3.517 30 40 FHEB Cc1nn(C)cc1-c1cc(C(F)F)nc(N/N=C/c2ccc(F)s2)n1 252507011 WFCBRIHLXDFHFM-KPSZGOFPSA-N 366.372 3.770 30 40 FHEB CCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 19205473 FYGVFXJFVPDKLX-UCUGKLSDSA-N 373.478 3.698 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12)c1ccccc1 6623785 UARIRGJWHKWMHN-NYRDBWPVSA-N 369.505 3.863 30 40 FHEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc2c1CCCC2 102145098 LLOXBHWGJNTIKI-CQSZACIVSA-N 368.458 3.987 30 40 FHEB CSc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 672377 GYIRBLIMKDNRMN-XMHGGMMESA-N 360.504 3.944 30 40 FHEB Cc1c(C#N)c(SCC(=O)N(C)C2(C#N)CCCCC2)nc2c1CCC2 12549161 GJGYCPPQVSAPAA-UHFFFAOYSA-N 368.506 3.527 30 40 FHEB CC(C)Cn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc21 4264242 JTXZJYMCGLJQNB-LJQANCHMSA-N 358.511 3.839 30 40 FHEB C[C@@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)Cc1ccccc1Cl 65511837 VIRWPFIQWZZAHF-CQSZACIVSA-N 371.868 3.539 30 40 FHEB CC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 408748891 CPMLKWHFKCKFGL-JAIQZWGSSA-N 350.334 3.898 30 40 FHEB N#Cc1ccc(OC[C@H](O)CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 558733728 CRMQBPMLRKOHIZ-CIAFKFPVSA-N 362.473 3.709 30 40 FHEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218358207 YJENVMDAQKLNAC-SJORKVTESA-N 356.834 3.622 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218404077 GUVDCUXQNOJYBU-QZTJIDSGSA-N 370.861 3.876 30 40 FHEB Cc1ccccc1Cn1nc(OCc2ccccc2Cl)c(C#N)c1N 225844468 KMUNVNPZQOYNFH-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB N#Cc1ccc(Nc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cn1 585293021 BXCPVNCWKBQKAQ-UHFFFAOYSA-N 370.460 3.866 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S2)cc1 16754315 ABIFMUOUQSTRFY-KRWDZBQOSA-N 372.421 3.717 30 40 FHEB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 4079612 KMUVCWZKBFEMMK-NSHDSACASA-N 354.431 3.783 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(Br)cc1Cl 40009474 FJFHGWCPWVMFDB-CQSZACIVSA-N 358.667 3.569 30 40 FHEB CSc1nc(O)c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1C#N 30134166 DWCDGWBHQIEEOH-UHFFFAOYSA-N 371.506 3.669 30 40 FHEB CCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 53319237 JPCGLXCMAKPTLO-UHFFFAOYSA-N 366.531 3.532 30 40 FHEB C/C(=N\NC(=S)Nc1ccc(C(=O)O)cc1)c1ccc2ccccc2n1 104230818 JVJXSTOFYKNUMS-WSDLNYQXSA-N 364.430 3.644 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3[C@@H]3O[C@@]132 12881370 GUEMLDIJFWCIGQ-ADPNAPNMSA-N 369.505 3.644 30 40 FHEB biogenic C=C(Br)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 48833462 PYCBXUMLSDVIPD-UHFFFAOYSA-N 357.229 3.755 30 40 FHEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 224713238 PSCFCVXIUHUZGC-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccccc1 224675904 KNVVEJLIJBYWLE-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3ccc(C)cc32)c1 223721986 MCWNKLSFCGRRPL-QOCHGBHMSA-N 351.475 3.890 30 40 FHEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2 585107461 WPLKSESSFLRFHD-JOCHJYFZSA-N 374.444 3.603 30 40 FHEB N#CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 69177258 UXLQQKGBRCCMJG-HNNXBMFYSA-N 370.403 3.679 30 40 FHEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1[N+](=O)[O-] 18284736 NIPPDMIFFPSYEF-GOSISDBHSA-N 360.369 3.752 30 40 FHEB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1ccc(C#N)cc1 32672169 PZMXCTKUVNJQMM-CYBMUJFWSA-N 372.402 3.569 30 40 FHEB Cc1nc(C(=O)/C=C/N(C)C)cn1-c1ncc(C(F)(F)F)cc1Cl 3133134 WZRWGKPPEKRYQZ-SNAWJCMRSA-N 358.751 3.506 30 40 FHEB O=C1C2=C(N=C3SCCC(=O)N3[C@H]2c2ccccc2F)c2ccccc21 1407035 YOEBVNNUFUVFLA-SFHVURJKSA-N 364.401 3.810 30 40 FHEB C[C@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3F)N2C1=O 1407015 FTSPFNIYQMEXCJ-QGHHPUGFSA-N 364.401 3.808 30 40 FHEB C[C@H]1CN(c2ccc(CNCc3cccc(C#N)c3)cc2F)C[C@H](C)O1 48749084 JKZKDSWOOAQSDE-HOTGVXAUSA-N 353.441 3.601 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccs1 4541043 WVZIGLRTMMGUOC-QGZVFWFLSA-N 371.458 3.590 30 40 FHEB CCCOc1nc(N)c(C#N)c(-c2ccc(Br)cc2)c1C#N 19862835 IHMDCQVPVOFZIR-UHFFFAOYSA-N 357.211 3.625 30 40 FHEB C[C@H](OC(=O)CC[C@@H]1CCCO1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862123 YADRXVKJWWQTAI-IQTKLPHMSA-N 371.477 3.758 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 509548312 GJGCVORRFMZKSD-INIZCTEOSA-N 350.344 3.559 30 40 FHEB COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 254295712 YBAANJOXEOVNBW-UHFFFAOYSA-N 355.397 3.954 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](C)CC1=O)N2 19959549 TULCBCLLYLIKHY-QFYYESIMSA-N 358.442 3.797 30 40 FHEB CN1C(=O)/C(=N\N=C(\C(=O)c2ccccc2)c2ccccc2)c2ccccc21 3412059 YENSBYHYOZMMJC-AIMKKSDKSA-N 367.408 3.739 30 40 FHEB NC(=S)N/N=C(\CSc1nc2ccccc2s1)c1ccccc1 5584394 OTPIOUCALBVPRN-CPNJWEJPSA-N 358.517 3.626 30 40 FHEB C=CCNc1nnc(SCC(=O)Nc2ccc(OC)c(Cl)c2)s1 5785324 XQBXMQAAVXYDJR-UHFFFAOYSA-N 370.887 3.529 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccc(O)cc3)Nc3ccccc3N2)C(=O)O1 102443879 NQSSHIXMXVWCBI-DMEQXSTQSA-N 362.385 3.645 30 40 FHEB CN(C(=O)CNc1ccc(Br)cc1)C1(C#N)CCCCC1 14914480 TYHRIEVXLJCDDP-UHFFFAOYSA-N 350.260 3.546 30 40 FHEB CCOc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cccc1OC 409030482 DNYZYJNQTPNPPY-QPSGOUHRSA-N 362.245 3.808 30 40 FHEB C=C[C@H]1OCC[C@@H]1NC(=O)c1oc2ccc(Br)cc2c1C 1616027616 HMFCFBUAQNYWLH-QWHCGFSZSA-N 350.212 3.577 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 1165973 YURUDRKAXOPGEN-GDNBJRDFSA-N 354.343 3.524 30 40 FHEB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 12823069 ZXTMKWRNXIWIIA-AUECHBEKSA-N 371.396 3.690 30 40 FHEB O=C1C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)C(=O)c2ccccc21 4474165 VOQKIKNVSXWTCM-UHFFFAOYSA-N 374.146 3.526 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 19138338 UGLDUBMLYUPQIV-GOSISDBHSA-N 351.377 3.898 30 40 FHEB N#CCCN(C(=O)COc1ccccc1Br)c1ccccc1 31655719 YQAVIKYJNJLODH-UHFFFAOYSA-N 359.223 3.775 30 40 FHEB CCOc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2C#N)cc1 1440423 HLGRZTMGZPIRBH-UHFFFAOYSA-N 360.369 3.708 30 40 FHEB N=C(Nc1nccs1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 3149865 UPFHGWQBEHQCPC-QMMMGPOBSA-N 373.200 3.727 30 40 FHEB O=C1N(Cc2ccccc2)[C@@H]2C[S@@+]3CCC[C@H]3[C@@H]2N1Cc1ccccc1 100308860 CHQOEHPMXSHGCL-SBZFUYPRSA-N 365.522 3.656 30 40 FHEB world Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804689 XTAONSKGADBKPX-GROYHEBESA-N 364.357 3.511 30 40 FHEB CC(C)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59565378 IELISBJWMLJGSZ-VCHYOVAHSA-N 358.354 3.984 30 40 FHEB N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)F 2784666 KISWGZAJHNTKJQ-VXGBXAGGSA-N 353.170 3.880 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 6046336 LBIPFMSWHQXASD-QGZVFWFLSA-N 370.792 3.580 30 40 FHEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 6129931 IUYNOHCDQWSYCD-XHSDSOJGSA-N 366.465 3.671 30 40 FHEB COc1cc(Cl)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408587771 AFJYXMXACBTIKC-GIJQJNRQSA-N 350.758 3.816 30 40 FHEB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(CC#N)cc2)CC1 14249414 PEFGEOHDWGSYEB-UHFFFAOYSA-N 361.445 3.552 30 40 FHEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 6721131 UZNFHBFBVJEGNY-LJQANCHMSA-N 365.481 3.782 30 40 FHEB C[C@H](Sc1nccn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 7061622 RBVNPACINIKKMY-NSHDSACASA-N 360.508 3.741 30 40 FHEB CN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409040361 HXMRTJDSGWYYSU-UHFFFAOYSA-N 352.390 3.638 30 40 FHEB C=C(C)COc1cccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 78579854 TXJMZHGRTFMLCA-UHFFFAOYSA-N 363.417 3.930 30 40 FHEB COc1ccc(OC)c(/C=N/c2ccccc2-c2nnc(=S)[nH]c2O)c1 3189783 OTBRDYVWBNNAFA-VXLYETTFSA-N 368.418 3.675 30 40 FHEB COc1ccccc1/C=C1\Oc2c(CN3CCCC3)c(O)cc(C)c2C1=O 20573211 GKKHQRIMMUTCDA-UNOMPAQXSA-N 365.429 3.921 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCc3[nH]c4ccccc4c3C2)cc1 1722153 XBHFGSVNMRHGPO-OAHLLOKOSA-N 355.459 3.987 30 40 FHEB N#Cc1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 4714111 UHRUIGULKBKQOC-DAFNUICNSA-N 365.396 3.777 30 40 FHEB COc1ccc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F 32745032 JIYWCYXVPZMWQF-LBPRGKRZSA-N 367.380 3.889 30 40 FHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C(=O)O1 102500411 ZTGQOGKDJBKUKY-IWHGQQBYSA-N 356.374 3.782 30 40 FHEB N#Cc1c(F)cccc1NCCNc1ncnc2sc3c(c12)CCC3 32934481 IXBIEHGWJPSYOR-UHFFFAOYSA-N 353.426 3.715 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)c(C)c1 18032411 QDWXZBSMGDSURB-SILNSSARSA-N 359.834 3.800 30 40 FHEB C=CCn1c(SCC(=O)OC)nnc1-c1csc2c1CC[C@H](C)C2 17074805 HNEJGTZTOIYDFU-NSHDSACASA-N 363.508 3.583 30 40 FHEB C=CCOC(=O)c1sc(NC(=O)COc2c(C)cc(C)cc2C)nc1C 5027469 ABYJLWMCYNYMGM-UHFFFAOYSA-N 374.462 3.737 30 40 FHEB COc1cccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c1OC 5324492 WASIIWDUCUBRTM-WJDWOHSUSA-N 354.431 3.904 30 40 FHEB Cc1cc(C)nc(N/N=C/c2ccc(OC(F)F)cc2OC(F)F)n1 5506401 OWJSZZLYKMBMDH-IFRROFPPSA-N 358.295 3.742 30 40 FHEB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2sccc2C#N)cc1 6610811 MLBOIUJXPASEBG-UHFFFAOYSA-N 355.463 3.676 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 5671650 ILNYCYOLKYXJEG-WOJGMQOQSA-N 369.406 3.797 30 40 FHEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 5791253 XLKKTKRVTWBFPK-MXWPMSCXSA-N 367.474 3.939 30 40 FHEB Cc1nc(-c2ccccc2Cl)nc(SCC(=O)N2CCCC2)c1C#N 9134495 VFGYYKVGTYUMCC-UHFFFAOYSA-N 372.881 3.692 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409136511 WZOHSUZJCWFTCH-NTEUORMPSA-N 373.752 3.587 30 40 FHEB O=[N+]([O-])c1ccc(/N=C\c2ccccc2I)cc1 408553045 WEHLGWFSTPUTHQ-DHDCSXOGSA-N 352.131 3.950 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 61991158 MIVSQBNBIGTKAZ-QNHDLEJQSA-N 359.510 3.600 30 40 FHEB biogenic CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(C)c3C)S2)cc1 96569359 BUEVGUBMBUDCGQ-BOPFTXTBSA-N 355.463 3.932 30 40 FHEB CCC/C(Nc1ccccc1OC)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 6026111 DJZRLLOTBOINEP-UMADGWCESA-N 373.449 3.519 30 40 FHEB COc1ccc(/C=N/n2cnnc2SCc2ccccc2Cl)cc1O 1917923 HNAAHWQPUFYFRL-AWQFTUOYSA-N 374.853 3.820 30 40 FHEB Cc1sc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)c(C#N)c1C 13511564 JEAGREDTHDLLEI-MKMNVTDBSA-N 357.460 3.968 30 40 FHEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 14124848 YGGHVJYLEHNVPC-ZDUSSCGKSA-N 358.825 3.694 30 40 FHEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OC)c(O)c3)S2)cc1 4695378 VFVGAAUBALUVQQ-GZTJUZNOSA-N 354.431 3.855 30 40 FHEB COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CCCC2 4860383 KYPWJRDCVMPQRF-GIJQJNRQSA-N 360.391 3.778 30 40 FHEB COc1ccc2c(c1)/C(=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 1021390 LBYOAMVUTPDSCW-CAPFRKAQSA-N 370.361 3.509 30 40 FHEB CC1(C)OB(c2cnc(-c3ccccc3)n2[C@@H]2CCCCO2)OC1(C)C 211680025 SPGBWBJDOXTDIB-KRWDZBQOSA-N 354.259 3.548 30 40 FHEB C=CCN1C(=S)N[C@H]2c3cc(Br)ccc3O[C@@]1(C)[C@@H]2C 101243852 XLYHITJOWOETTH-PKPZWWHKSA-N 353.285 3.611 30 40 FHEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@@H]1c1ccco1 3878650 IBMRZRRRACSWAL-UFYCRDLUSA-N 355.397 3.660 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 8557485 HSCYPBIIEXCNSJ-UHFFFAOYSA-N 366.461 3.917 30 40 FHEB N#C[C@H](C(=O)C=C(C1CC1)C1CC1)c1nc(O)c2ccc(Cl)cc2n1 54430142 NTOITQXUZABSNB-OAHLLOKOSA-N 353.809 3.911 30 40 FHEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO[C@H](O)[C@@H](C)O 100068159 GNLNRQZETOCIRZ-FPTCMKILSA-N 373.578 3.648 30 40 FHEB COC(=O)/C(=C\C(=O)c1ccccc1)Nc1ccc(Br)cc1 100274400 CHKNWOHQCOLVBF-RVDMUPIBSA-N 360.207 3.801 30 40 FHEB C=CCn1c(SCCc2ccc(OC)cc2)nc2ccsc2c1=O 12636335 OFLGPMJFFJOZJQ-UHFFFAOYSA-N 358.488 3.987 30 40 FHEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 4047997 JQRNQKZKPAMDPJ-SRZZPIQSSA-N 365.393 3.852 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccco3)c2C#N)C1 5446366 OZHXCKKWLNOJJH-PZBABLGHSA-N 370.430 3.533 30 40 FHEB CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 5407903 NFRUHTOHIIBVSA-FQEVSTJZSA-N 350.418 3.847 30 40 FHEB COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1O 409406190 WLTCSKIELHMIRZ-UHFFFAOYSA-N 371.396 3.660 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1 225887517 NMBNXHUDPCYXII-UHFFFAOYSA-N 365.364 3.708 30 40 FHEB CN(CC#CCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 75165124 BWRAVGQGRHWOCN-UHFFFAOYSA-N 361.272 3.859 30 40 FHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 223724421 KOJPPNFZSAGLAZ-UHFFFAOYSA-N 351.855 3.726 30 40 FHEB N#Cc1ccc(OC(=O)COc2ccc(Br)cc2Cl)cc1 5256005 SXODINUCLNTSIA-UHFFFAOYSA-N 366.598 3.959 30 40 FHEB COc1ccc(C(=O)/C=C/Nc2cc(OC)c(C(=O)O)cc2Cl)cc1 16216100 KFXXLYWMHLDCLE-BQYQJAHWSA-N 361.781 3.864 30 40 FHEB N#Cc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364483 SLSIQWVGWZJBLL-KRWDZBQOSA-N 355.397 3.717 30 40 FHEB N#Cc1ccc(NC(=O)C[S@@](=O)CCC23CC4CC(CC(C4)C2)C3)cc1 32801449 IFFAWFAQKFWEBN-GPXFITMTSA-N 370.518 3.852 30 40 FHEB N#Cc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 3286461 KYXCZQDMOJDJFN-UHFFFAOYSA-N 370.408 3.698 30 40 FHEB N#C[C@@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCC1 2391009 HOWRUNZNHCBFHH-MRXNPFEDSA-N 364.449 3.713 30 40 FHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 24614020 IYXLCHWNIUPISF-UHFFFAOYSA-N 353.827 3.714 30 40 FHEB CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 4436286 KQPBWACHZYKECS-MRXNPFEDSA-N 354.479 3.967 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3cc(Br)cs3)cc2N1 5335841 SPNRVOWZNLGXMQ-NSCUHMNNSA-N 364.220 3.738 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/C(C)=C/c4ccccc4)c(O)nc3c2c1 8738147 BUHSHJXEEBIUNM-XJDJRJIPSA-N 374.400 3.529 30 40 FHEB CCc1ccc([C@H](SC(C)(C)C)C2=C(O)N[C@@H](S)NC2=O)cc1 223812690 ZKPUKFIQDGUVBL-XJKSGUPXSA-N 352.525 3.524 30 40 FHEB O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cc(Cl)ccc1Cl 1453117 LJBNPTDSLKODJY-LBPRGKRZSA-N 352.246 3.850 30 40 FHEB C=CCNc1nnc(SCC(=O)c2ccc(Br)cc2)s1 5785717 DYTDABATPOJSOG-UHFFFAOYSA-N 370.297 3.874 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(OCC)c21 100909677 PPJDIKJHFNBCRZ-ZCXUNETKSA-N 373.390 3.530 30 40 FHEB COc1ccccc1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 21143908 PTZXRHNTZYGAQH-UHFFFAOYSA-N 361.363 3.815 30 40 FHEB O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccccc1F 2263458 NJMIJFATLCHSHR-SPJXWURQSA-N 369.381 3.828 30 40 FHEB COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 4681874 JNSSUOSFDWTWRU-LICLKQGHSA-N 350.399 3.803 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2C#N)C1 7989211 LRLCUUDESWFWKD-ZBEGNZNMSA-N 366.442 3.985 30 40 FHEB CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(C#N)cc3)cc2)CC1 5791815 BYWJWIIQDDBSSE-PXLXIMEGSA-N 367.474 3.729 30 40 FHEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cc(F)cc2c1OCOC2 9377330 NXYMIFQYYVWSRI-NVNXTCNLSA-N 356.378 3.584 30 40 FHEB CC1CCN(CN2C(=O)/C(=N\c3ccccc3F)c3ccccc32)CC1 38198789 QYZZKCICOJZINM-ATJXCDBQSA-N 351.425 3.983 30 40 FHEB CCCCCCCCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731405 WFWJFNQMSQIIEC-LRXVAGHRSA-N 372.509 3.963 30 40 FHEB biogenic O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218664572 QTYUEJZYBMSWNC-HRCADAONSA-N 355.242 3.748 30 40 FHEB C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 60089248 ZKVBTQVEHGBTEP-JOCHJYFZSA-N 370.468 3.938 30 40 FHEB Cc1ccccc1NC(=O)COc1ccc(/C=N\O)cc1Br 8571347 GHXYGGAGKGWKHD-NVMNQCDNSA-N 363.211 3.583 30 40 FHEB CCCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 10434972 YWHHFBPZAPMLOC-UXBLZVDNSA-N 353.374 3.725 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=C(C)CC(C)(C)C2)nc1 21759671 QRMVSUVASFTPIO-HKWRFOASSA-N 364.515 3.646 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1Cl 18136608 MQGVNVREWYOVQR-HNNXBMFYSA-N 373.865 3.896 30 40 FHEB CC(=O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1 408905534 YWBXOBOJQVVCIY-RQZCQDPDSA-N 365.170 3.950 30 40 FHEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1 408749841 JLBLAUZHEJFXTC-GRSHGNNSSA-N 367.321 3.912 30 40 FHEB Cc1ccc(-c2ccc(/C=N/N3C(=O)c4ccccc4C3=O)o2)cc1C(=O)O 408856819 RHOWCXUAUIKEHU-SSDVNMTOSA-N 374.352 3.583 30 40 FHEB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(C5(C#N)CC5)cc4)cn1c23 225862178 ZWKUEAPVEXOOMI-AWEZNQCLSA-N 369.424 3.926 30 40 FHEB CC(=O)c1cn(CC/C(O)=N/c2nc(CC(C)C)n[nH]2)c2ccccc12 95476767 IVKNYSDUAUCQII-UHFFFAOYSA-N 353.426 3.839 30 40 FHEB Cn1cc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cn1 252496721 PPWMJWLTRXQTAK-KPSZGOFPSA-N 370.335 3.543 30 40 FHEB CC/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(O)cc1O 15911309 CWMBOPYXVIAQBX-YUVZERDRSA-N 353.447 3.739 30 40 FHEB CC(C)c1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCC2 20546971 CEBTWTKNKQJVKY-UHFFFAOYSA-N 374.488 3.528 30 40 FHEB COc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccncc1 6007290 AHEJYDPKFAYGOL-CIAFOILYSA-N 361.430 3.673 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 955861 HLDRIQHILPPPGC-NRFANRHFSA-N 372.428 3.879 30 40 FHEB C/C(=C\N/C=C(\C)C(=O)C#Cc1ccccc1)C(=O)C#Cc1ccccc1 100955171 YSIGHAZUGZEUCL-XPWSMXQVSA-N 353.421 3.625 30 40 FHEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1ccc2ncccc2c1 58297765 MEPKCTBVBQNJFB-OAHLLOKOSA-N 370.368 3.750 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 2463565 ZJRDFCZNGYQAJZ-NVXWUHKLSA-N 370.474 3.763 30 40 FHEB C[C@@H]1CN(c2ccc(CNCc3cccc(C#N)c3)cc2F)C[C@@H](C)O1 48749087 JKZKDSWOOAQSDE-HZPDHXFCSA-N 353.441 3.601 30 40 FHEB N#C[C@H](C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 48824435 NOSVYZOUVBPZBQ-CZUORRHYSA-N 365.389 3.805 30 40 FHEB N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cccc(Cl)c2)n1 5000330 SRHOOCRZMSDHAP-UHFFFAOYSA-N 357.826 3.826 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccncc2)C1=O 9434910 RVOQQAQONXMWLP-QINSGFPZSA-N 352.415 3.625 30 40 FHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 66088885 MMVNYCNXJBLZRF-KRWDZBQOSA-N 371.458 3.753 30 40 FHEB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(C#N)cc2)c(OC)c1 49546048 KNGLWPFMPRHMCE-INIZCTEOSA-N 374.400 3.885 30 40 FHEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 195380746 QSVLXNVVIBDFHB-FOWTUZBSSA-N 352.440 3.995 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5203757 RIDQMOCZEPJQEZ-VFNWGFHPSA-N 372.428 3.708 30 40 FHEB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 100713229 JZDGPWYKQKRMMW-IBGZPJMESA-N 373.372 3.590 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4040375 DLURJPMDGSFIIF-UTZJVCKASA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OC)c1 8194872 ZJUISECFRIRBAU-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16159108 CNAIHFCEAWSIBT-LLVKDONJSA-N 358.419 3.666 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 3347105 JVVBFHGPAXSNLB-MRXNPFEDSA-N 364.858 3.537 30 40 FHEB C=CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2)cc1OC 409370447 QZOIPDJNTXTBPW-MTJSOVHGSA-N 374.824 3.903 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N(CCC#N)c2ccccc2)n1 12619948 HJHMQZBHIXEHSJ-UHFFFAOYSA-N 350.447 3.609 30 40 FHEB C=C(C)Cn1cnc2c(sc3nc(N4CCCCC4)cc(C)c32)c1=O 71282854 ARICDNUSGKMCSC-UHFFFAOYSA-N 354.479 3.881 30 40 FHEB N#C[C@@H](c1ccccc1)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]c1=O 98071651 JAHIUCLUJXQZRA-SFHVURJKSA-N 365.392 3.810 30 40 FHEB CCCCNc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)s1 79183127 QNSVXLXOWVEMIM-UHFFFAOYSA-N 367.544 3.527 30 40 FHEB COc1cc(OC)c(OC)cc1/C=C1/Cc2cc(OC)c(OC)cc2C1=O 85879884 KKZFHPPSQFTEAI-AUWJEWJLSA-N 370.401 3.552 30 40 FHEB biogenic C=CCc1cc(CO)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409111161 BHZVPMQQGZSKRO-UHFFFAOYSA-N 360.322 3.525 30 40 FHEB Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(C)s4)no3)CC2)o1 80344563 UVNQKDRGCDSMOS-UHFFFAOYSA-N 355.423 3.659 30 40 FHEB CC(C)N(CC#CCNC(=O)NCc1cccc2ccccc12)C(C)C 75164533 KXRPJZMLSRNFHM-UHFFFAOYSA-N 351.494 3.761 30 40 FHEB C=CCOc1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224292676 SSCOVUFOJFOPDB-UHFFFAOYSA-N 373.474 3.940 30 40 FHEB O=C(CC1CCCCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 1775992691 UEFMMJWHSPTXJQ-RTWAWAEBSA-N 370.537 3.600 30 40 FHEB COC(=O)c1ccc(NC(=S)N/N=C/c2cccc3ccccc23)cc1 1085624 HHBVRFSRFXKCLE-FYJGNVAPSA-N 363.442 3.947 30 40 FHEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1 1306984 LEZDACODUDGNSE-LPYMAVHISA-N 359.385 3.759 30 40 FHEB O=C(/C=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 5155855 CSOMUUXMSPXHFP-KPKJPENVSA-N 373.449 3.896 30 40 FHEB Cc1c(CCOC(=O)C23C[C@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1CC#N 13301979 WYESXHHXQSLESP-BANKROOTSA-N 359.515 3.560 30 40 FHEB Cc1ccccc1C1CC(=O)C(=C2OCCN2Cc2ccccc2)C(=O)C1 20800819 LVWCCSGFZWQLGU-UHFFFAOYSA-N 361.441 3.755 30 40 FHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3c[nH]c4ccccc34)C2=O)s1 107624437 OALHGPOSDPNSQN-OXPJSJFTSA-N 354.460 4.000 30 40 FHEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O 101219148 VWUOWRGBWXFBRK-VRTBNJGNSA-N 374.487 3.598 30 40 FHEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O 101219150 VWUOWRGBWXFBRK-RUNIHZNKSA-N 374.487 3.598 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)cc3O)ccc2c1=O 12607207 NYYALXZGLHZBLW-UHFFFAOYSA-N 367.430 3.511 30 40 FHEB Cc1cc(N/N=C/c2cccc([N+](=O)[O-])c2)nc(NCc2ccccc2)n1 18157200 ZMUWOPYXSMUXNQ-FYJGNVAPSA-N 362.393 3.751 30 40 FHEB CN(C(=O)CN(Cc1ccco1)Cc1ccco1)C1(C#N)CCCCC1 14139497 WGSJGISGKJLMFR-UHFFFAOYSA-N 355.438 3.560 30 40 FHEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc2ccccc2s1 7689691 JDCHUUPMBRTOBH-ZDUSSCGKSA-N 350.447 3.627 30 40 FHEB C#CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 95953587 LAUMEZMSAXGQJJ-UHFFFAOYSA-N 360.413 3.868 30 40 FHEB C=CCC1=C[C@](OC)([C@@H](C)Cc2ccc(OC)c(OC)c2)C(OC)=CC1=O 85995150 MVOMQPWLJRZYDT-NYHFZMIOSA-N 372.461 3.883 30 40 FHEB biogenic Fc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 408859614 YPIUVYNNOXIQHP-VCHYOVAHSA-N 353.191 3.768 30 40 FHEB CCCCCCCc1nnc(SCC(=O)N2CCCCC2)n1CC 408560664 MZEMYOHDPFREQJ-UHFFFAOYSA-N 352.548 3.916 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Br)cc2F)c1 36028930 GDSZQEFJHBVLBV-FRKPEAEDSA-N 354.135 3.648 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@@]132 72330325 AWARIKSVYAKVLG-CPFFRADYSA-N 361.526 3.634 30 40 FHEB CC[C@@H]1CCCCN1c1nn(-c2ccc(Br)cc2)nc1C#N 256046348 FJXSIGDDLUOIRT-CYBMUJFWSA-N 360.259 3.670 30 40 FHEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 15231342 AXLRZWYUDFJZNM-KEBDBYFISA-N 366.333 3.702 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 101231701 UJTVIKMRNQNSLS-WOOAAIBNSA-N 363.413 3.611 30 40 FHEB CCOc1cc(/C=N/n2cnnc2)ccc1OCc1c(F)cccc1Cl 936828 WWIBHHNJMJBZPL-NUGSKGIGSA-N 374.803 3.931 30 40 FHEB CC1(C)C(=O)/C(=N/O)C[C@@]2(C)C1=CC[C@H]1[C@@H]3C/C(=N/O)C(=O)[C@@]3(C)CC[C@@H]12 118924820 BUFWXPAPYJPVKI-KMACBOGRSA-N 372.465 3.604 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O 4704875 BFVCPWDUNWCJLQ-UNOMPAQXSA-N 374.421 3.807 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2nccs2)c1C 6909964 ZPVGYCWCANBINQ-UHFFFAOYSA-N 373.507 3.612 30 40 FHEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1O 6922359 OVQYTFHWNCAIBN-YVLHZVERSA-N 354.431 3.909 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 9088667 JQRGZMDLINPLRE-KZULUSFZSA-N 366.808 3.940 30 40 FHEB Cc1c(C(F)(F)F)nn(C)c1N=C(O)c1cc(C)n([C@H](C)C2CC2)n1 329664406 PLTDNDWJIYFQAU-SNVBAGLBSA-N 355.364 3.860 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 5376882 DXJLPBABJNGWEH-BOPFTXTBSA-N 366.442 3.982 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccc(F)cc1 13563754 XHTDHQCBSYIFBW-GOLOZUJYSA-N 371.437 3.688 30 40 FHEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Br)c1 40288008 YOEULHIWZZXHGB-INIZCTEOSA-N 369.222 3.539 30 40 FHEB COC1=C(Nc2ccc(Br)cc2)C(=O)c2ccccc2C1=O 1287626 IRJDJJXGFBARDN-UHFFFAOYSA-N 358.191 3.798 30 40 FHEB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N 12396399 BLDRWIYLUVFBBB-UHFFFAOYSA-N 354.797 3.760 30 40 FHEB CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21 107746133 GEGNLMGKHDZLLO-HMXCVIKNSA-N 363.461 3.524 30 40 FHEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)c1 48560520 IMQBYLVNEKBPDG-UHFFFAOYSA-N 357.431 3.656 30 40 FHEB C=CCNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 4083329 RKQFXERRZQKATL-FSJBWODESA-N 366.465 3.813 30 40 FHEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC 14404362 SGQBBDDNUBOIFO-IRPICPOESA-N 374.293 3.662 30 40 FHEB N#Cc1c(NC(=O)CN2CCc3ccccc32)sc2c1CCCCC2 6623579 BSOAYYYFIUFLNL-UHFFFAOYSA-N 351.475 3.890 30 40 FHEB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 18195078 JSXXQXZRVNPVPX-LJQANCHMSA-N 365.458 3.750 30 40 FHEB CC1CCN(C(=O)[C@H](C)Sc2nc3ccccc3n2CCC#N)CC1 8709023 VOHHPOFUNIKUFO-HNNXBMFYSA-N 356.495 3.689 30 40 FHEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC#N)ccc3C1=O)cn2C 9422678 DSHKSDFZHVSXNI-AWQFTUOYSA-N 360.369 3.705 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)NCCC2=CCCCC2)CC1 42837335 OELMZLXMTVFANI-UHFFFAOYSA-N 352.482 3.670 30 40 FHEB C=CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5027099 APYRBZPQFYXHHI-LLVKDONJSA-N 367.396 3.945 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 169684101 WCNOMTXXYDUQJZ-LTSRMHMCSA-N 374.440 3.770 30 40 FHEB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(C#N)cc2)CCS3)cc1 17051239 LCTJAIRDUQLEQD-UHFFFAOYSA-N 374.469 3.766 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 6879582 WIJJUUMISPBVST-MRXNPFEDSA-N 367.836 3.703 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\C3CCCC3)NC2=O)cc1Cl 8508398 SFWMSHGLBZCSOV-CQSZACIVSA-N 365.886 3.507 30 40 FHEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCC(F)(F)F 95953658 RQDUQHNVEVFOEC-GFCCVEGCSA-N 359.417 3.904 30 40 FHEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 32904783 WGDABQNRPXNHAP-UHFFFAOYSA-N 358.463 3.527 30 40 FHEB COc1cc(/C=C\C2=CC(=O)C[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 224125052 IZLBLUIBVMGMIY-WSGSOLELSA-N 368.385 3.743 30 40 FHEB C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CCC(=O)O 256073312 PBKZPPIHUVSDNM-NDDOAYCYSA-N 358.478 3.890 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 16161385 SBQLREBHPANEHR-BOPFTXTBSA-N 354.431 3.855 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1 5376867 HXBYAFSKNFAIPF-WJDWOHSUSA-N 352.415 3.673 30 40 FHEB COc1cccc([C@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 40033610 XFPBIZKCLMAWDX-QGZVFWFLSA-N 355.463 3.794 30 40 FHEB O=S(=O)(/N=C(\O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F 40129709 ZPYIXACCCLXROF-UHFFFAOYSA-N 366.172 3.965 30 40 FHEB CN1C(=O)N[C@@H](c2ccccc2OC(F)F)C2=C1CC(C)(C)CC2=O 2701452 QABZHMPMZWLZTD-HNNXBMFYSA-N 350.365 3.627 30 40 FHEB C/C(=N\N=c1/[nH]n2cnnc2c2ccccc12)c1ccc(Cl)c(Cl)c1 6780399 KZZAWGNILUQXPT-UFFVCSGVSA-N 371.231 3.842 30 40 FHEB COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)[nH]2)c1 7604770 UPNUQRQBCLDYLH-UHFFFAOYSA-N 352.419 3.653 30 40 FHEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 9263018 FNTVVBMRRYXKRL-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9575308 AOWILUYMMGEWDE-FMQZQXMHSA-N 372.760 3.748 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)c(OC)c1 12878359 CETZVZNEAXLWIE-OCKHKDLRSA-N 368.385 3.596 30 40 FHEB biogenic COc1ccc(/N=C2\N=C(O)S\C2=N/Nc2ccccc2C(=O)O)cc1 16711901 GWWROGWJASCQFC-QNGOZBTKSA-N 370.390 3.510 30 40 FHEB N#Cc1ccc(COC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(F)c1 32903175 KZXKNIWQJYCWHZ-GOSISDBHSA-N 355.365 3.612 30 40 FHEB CN(C)c1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)c2ccccc2n1 95942901 MMPLEDQIJMLBDW-CQSZACIVSA-N 365.458 3.902 30 40 FHEB CN1C(=O)N(C)C(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1 104171608 LCLXSMGMWGLGFR-OAHLLOKOSA-N 371.396 3.557 30 40 FHEB CNCc1cc(C)nc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c1C#N 408750376 MBPQQNLVKTXZOY-UHFFFAOYSA-N 371.447 3.650 30 40 FHEB C=CCc1cc(/C=N\c2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 408853890 ZFZLPSLXJJHHRQ-JAIQZWGSSA-N 370.361 3.546 30 40 FHEB Cc1cc(C#N)nc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 588039021 JAPKAZCUSMWVID-OAHLLOKOSA-N 361.218 3.900 30 40 FHEB CCCCCn1nc(C(=O)Nc2cccc(C#N)c2)c2ccccc2c1=O 7717290 GPPYSBSPJPCZEX-UHFFFAOYSA-N 360.417 3.711 30 40 FHEB N#Cc1cccc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1 1354076 UJIPNOCBSHRYHO-UHFFFAOYSA-N 362.364 3.551 30 40 FHEB C#C[C@@]1(O)C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)O)[C@]21C 4802070 RZPXETGGKJXNQJ-GBJHJECPSA-N 358.522 3.569 30 40 FHEB CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2)Sc2ccccc2N1 102979797 WAUONNIQZHLJNX-UHFFFAOYSA-N 352.415 3.603 30 40 FHEB Sc1nncn1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611072 RMSVACZWVZGMAK-NGYBGAFCSA-N 369.233 3.928 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2ccc(COc3ccccc3)o2)cc1 12967417 QDJBFLLECGZWKI-UHFFFAOYSA-N 363.369 3.966 30 40 FHEB CN/C(=N\c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1Cl 4682818 MZFLBIHYFBWYPC-UHFFFAOYSA-N 357.262 3.695 30 40 FHEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 8782508 QPMVSZKQOCCJOD-RGVLZGJSSA-N 368.462 3.672 30 40 FHEB C#CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 409070216 NMIYJNDOQGMNPT-UKTHLTGXSA-N 366.236 3.517 30 40 FHEB COc1cc(/C=C2/CSc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1O 96765601 BMOOESHPEYURIW-WMZJFQQLSA-N 361.350 3.820 30 40 FHEB N#CCc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225745562 FFUKGEGRIHWVIV-UHFFFAOYSA-N 364.518 3.882 30 40 FHEB CC(C)=NO[C@H](CCOC(=O)c1ccccc1)COC(=O)c1ccccc1 5601644 AHZMRBBWZBCVQV-LJQANCHMSA-N 369.417 3.872 30 40 FHEB C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 5561759 GFUVCRKEKDTQLI-ZHZULCJRSA-N 358.829 3.794 30 40 FHEB Cc1ccc(C[C@@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 15981512 XIGQAXMLRDUCCA-KRWDZBQOSA-N 370.460 3.556 30 40 FHEB O=C1C=C(OCC=C(Br)Br)C(=O)c2ccccc21 1720971 WESYQTULWPKXNB-UHFFFAOYSA-N 372.012 3.597 30 40 FHEB CC(=O)C(=NNc1cccc(C(=O)Nc2ccccc2Cl)c1)C(C)=O 3096738 QCRZJZMHWQBUDD-UHFFFAOYSA-N 357.797 3.538 30 40 FHEB N#CC1(C#N)[C@@H](c2ccco2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 3878651 IBMRZRRRACSWAL-AABGKKOBSA-N 355.397 3.660 30 40 FHEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 3999055 OUCQPFCLFGZBQQ-QHAWAJNXSA-N 353.418 3.678 30 40 FHEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC2)cc1Cl 47565540 LXDLCHCZBQBEBV-KRWDZBQOSA-N 355.825 3.860 30 40 FHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(O)c1 20633164 OQJBLSQXHPERSW-LJQANCHMSA-N 361.401 3.760 30 40 FHEB C#CC(CC)(CC)NC(=S)Nc1sc2c(c1C(=O)OC)CCC2 17072788 HTVDPLFFZWOQPY-UHFFFAOYSA-N 350.509 3.502 30 40 FHEB C#Cc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C)cc2)c1 24654025 CZAFWVHLZHKGNF-UHFFFAOYSA-N 373.412 3.591 30 40 FHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)C)cc2)c1 5917619 UQLSFZUFWVERNB-GOSISDBHSA-N 351.402 3.685 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4ccc(C)c(Cl)c4)CC3=O)[nH]c2c1 8844110 AGBFATWFPYLDNE-UHFFFAOYSA-N 352.825 3.550 30 40 FHEB CCOc1ccc2sc(NC(=O)CSc3ncccc3C#N)nc2c1 71326953 FZTYTZPZXRDLBY-UHFFFAOYSA-N 370.459 3.692 30 40 FHEB N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(CO)cc1 95463242 FOXDTBLTZRXVDJ-UHFFFAOYSA-N 356.425 3.690 30 40 FHEB N#CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408970676 JZRMZOCLDHPJRB-QINSGFPZSA-N 371.318 3.937 30 40 FHEB O/N=C\c1ccc2oc(-c3cccc(I)c3)nc2c1 216838201 SFTARKIACVZTGU-PXNMLYILSA-N 364.142 3.908 30 40 FHEB COc1ccc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc2c1 225253156 BLTGNSBANFOHGF-UHFFFAOYSA-N 352.415 3.715 30 40 FHEB COc1ccc(-c2nc3ccccc3c(=O)n2N=C2CCCC2)cc1OC 5257353 WDKMNJDHCKYKFP-UHFFFAOYSA-N 363.417 3.859 30 40 FHEB C=CCOc1ccc(/C=C2\N=C(c3cc(OC)cc(OC)c3)OC2=O)cc1 14246709 WSHUTGFIEOPODM-GRSHGNNSSA-N 365.385 3.613 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 5901235 XQNMMAZQABVEAD-JFENUBAZSA-N 368.385 3.642 30 40 FHEB biogenic COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 32930687 MJQJMPUJSRYHJP-UHFFFAOYSA-N 350.296 3.760 30 40 FHEB CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1O 940342 JVLWYOLNQZUETR-RGVLZGJSSA-N 354.435 3.557 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)OCCO2 23881533 WXBGHYUFYJWGLA-UHFFFAOYSA-N 356.381 3.505 30 40 FHEB Ic1ccc(/C=N/Nc2nc3ccccc3s2)o1 59391525 DMYMWFPPJAWFNO-VGOFMYFVSA-N 369.187 3.940 30 40 FHEB CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 58292501 NIHHTGOUFREWDM-UHFFFAOYSA-N 362.477 3.890 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCc2cn3cc(Cl)ccc3n2)cc1 14397732 VTQYINFNOOPGNA-WSDLNYQXSA-N 356.813 3.887 30 40 FHEB CCCn1c(O)c(/N=N/c2ccc(Cl)c(C(=O)O)c2)c(C)c(C#N)c1=O 4681694 YCFPNWPSVHXYNO-QZQOTICOSA-N 374.784 3.911 30 40 FHEB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)cc2c1C 9552077 UELCVGRXWOHXNR-OAHLLOKOSA-N 367.449 3.673 30 40 FHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 408868453 OVVMEUYHNUIOOC-PDGQHHTCSA-N 367.474 3.961 30 40 FHEB O=[N+]([O-])c1ccc(/N=C\c2ccc(O)c(I)c2)cc1 408904446 JOIPUGNRAPQARP-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218358296 YJENVMDAQKLNAC-IRXDYDNUSA-N 356.834 3.622 30 40 FHEB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(C#N)cc1)SCC(O)=N2 79477059 AUCUZPPEBDJHRH-GOSISDBHSA-N 361.430 3.872 30 40 FHEB COc1ccc(C(=O)/C=C2/Nc3ccc(Br)cc3NC2=O)cc1 77024272 QIMHVCCUWSVKKW-OQLLNIDSSA-N 373.206 3.589 30 40 FHEB Cc1ccccc1COc1nn(Cc2ccc(Cl)cc2)c(N)c1C#N 225840420 GAHNOQIQXJSYIW-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1 225924902 CTTPGYCLOCJWQV-UHFFFAOYSA-N 368.433 3.895 30 40 FHEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)ccc1O 3123035 INYIFQCNDLVPRJ-ZTBJCTOSSA-N 356.809 3.730 30 40 FHEB Cc1ccc(-c2c(C)[n+]([O-])c(-c3ccc(N(C)CCC#N)cc3)n2O)cc1 5588045 DLEFIOPMLZZYKS-UHFFFAOYSA-N 362.433 3.660 30 40 FHEB C#CCOc1c(Cc2ccccc2)c(C)nc2cc(C3CCOCC3)nn12 19578450 SSLIJZWDPZRYFR-UHFFFAOYSA-N 361.445 3.535 30 40 FHEB N#Cc1ccc(OCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 12620308 YUCCNUKRUGOTRB-INIZCTEOSA-N 358.850 3.944 30 40 FHEB Cc1cccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)c1 54061440 NNQAVTGAYXFODD-UHFFFAOYSA-N 358.445 3.844 30 40 FHEB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797112 HQHOCDVUOAJOPM-HXUWFJFHSA-N 363.417 3.931 30 40 FHEB CCCCCCCCCCOC(=O)CCN[C@H](CCSC)C(=O)O 103007078 ADONMAVBEZCYLV-MRXNPFEDSA-N 361.548 3.856 30 40 FHEB Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3251995 LIBKMDVNZGYJCT-UHFFFAOYSA-N 364.788 3.608 30 40 FHEB CCOc1ccc(N(CCC#N)C(=O)CN2CCCc3ccccc32)cc1 12729791 QXKPGMQWNKAIDT-UHFFFAOYSA-N 363.461 3.785 30 40 FHEB COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 18197479 YKNOUAWKOIEGGD-FQEVSTJZSA-N 367.401 3.680 30 40 FHEB C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 14188122 XVHBTBVOYCQZPU-OAHLLOKOSA-N 354.475 3.618 30 40 FHEB NC(=S)N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 409173427 MWJZWXPWLJWEQO-SSDVNMTOSA-N 353.422 3.725 30 40 FHEB COc1cc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)ccc1O 9836418 VZFBQZFUHTVVOH-FNORWQNLSA-N 365.307 3.798 30 40 FHEB Cc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c([N+](=O)[O-])c1 409187516 RKSIFUFFPFPGNM-RGVLZGJSSA-N 356.378 3.984 30 40 FHEB CCCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC 34704816 RXBYRYYINLXDJN-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1sccc1C 408792304 AIITVBDTLLXKGJ-HNNXBMFYSA-N 351.427 3.798 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12627398 XKFJWUKPIRAUHO-YDYPUGOESA-N 373.456 3.904 30 40 FHEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3F)NC2=O)ccc1O 13424143 SSKFKPDWOYUVAW-YBEGLDIGSA-N 358.394 3.822 30 40 FHEB CSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CCCC3=O)s1 1445949 NFDIIATWEIQAQO-LBPRGKRZSA-N 371.487 3.788 30 40 FHEB COc1cc(CCC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC 14596000 BZCQRRHZWHLCQI-UHFFFAOYSA-N 374.462 3.834 30 40 FHEB biogenic,in-vitro N#Cc1cccc(NC(=O)c2ccc(F)cc2I)c1 31676920 FUVJEEBLTVACMB-UHFFFAOYSA-N 366.133 3.554 30 40 FHEB O=c1c2c3c(sc2nc(SC[C@@H]2CO2)n1-c1ccccc1)CCCC3 3078660 GNBUAGGRHTXBPY-ZDUSSCGKSA-N 370.499 3.817 30 40 FHEB CC(=O)c1sc(N/N=C\c2cc(Br)ccc2O)nc1C 4749601 IULZEORUFRMGIW-UUASQNMZSA-N 354.229 3.568 30 40 FHEB C=CCn1cc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 100765582 BWWLLJJLWNEWRW-PMACEKPBSA-N 355.457 3.531 30 40 FHEB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 12976608 LNAQTLDBZZJBTB-QRWLVFNGSA-N 350.418 3.698 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 6001774 TWPVEUOFWSDPLU-CYBMUJFWSA-N 359.476 3.508 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 19315219 GMMXRBKMKLBEGT-GOSISDBHSA-N 355.434 3.616 30 40 FHEB CC(C)(C)c1ccc(-c2nnc(CSc3ncc(C#N)c(N)n3)o2)cc1 9221103 KQZQCUAYWKKOHJ-UHFFFAOYSA-N 366.450 3.570 30 40 FHEB N#CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 408856256 BQTIYOZKKSXSEQ-WJDWOHSUSA-N 353.378 3.620 30 40 FHEB C=CCN(c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O 223923227 RICAFSGRYBAZFQ-UHFFFAOYSA-N 366.527 3.583 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 225776281 WKJMDWUCENPSDQ-UHFFFAOYSA-N 368.408 3.783 30 40 FHEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCCC1 44085685 JNZWEFMMJYPLJG-UHFFFAOYSA-N 371.506 3.849 30 40 FHEB CCOc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1 891557 HPTPHGUOVAJWNM-UHFFFAOYSA-N 369.490 3.856 30 40 FHEB COc1ccc(C(=O)[C@@H](C)[n+]2ccc(C)c3ccccc32)cc1[N+](=O)[O-] 4949849 KPGTVHJVNCEJEX-CQSZACIVSA-N 351.382 3.796 30 40 FHEB N#Cc1ccc(CN2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 32986505 FAXZDYWATDSTTD-UHFFFAOYSA-N 373.500 3.714 30 40 FHEB C=CCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 100765577 BWWLLJJLWNEWRW-WOJBJXKFSA-N 355.457 3.531 30 40 FHEB O=C(O)c1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1 3262782 QLWVAJIXPAKUKV-AWQFTUOYSA-N 367.352 3.724 30 40 FHEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 36390420 WHDCPPVKWQVRHF-JQWIXIFHSA-N 359.779 3.813 30 40 FHEB C[C@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 8709453 UCTHRQFFZSOCBM-QGZVFWFLSA-N 361.854 3.896 30 40 FHEB COc1ccc(-n2c(NN=C(C)C)nc3sc4c(c3c2=O)CCC4)cc1 4859712 IEHBMJLRWNWSTL-UHFFFAOYSA-N 368.462 3.752 30 40 FHEB CCc1ccc([C@@H](C)CC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 524100761 RIYHICXYMMSBTK-SFHVURJKSA-N 361.489 3.963 30 40 FHEB O=S(=O)(/N=C(/N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1 96318689 NXFZSGDXXKHWPR-SFQUDFHCSA-N 369.701 3.630 30 40 FHEB N#Cc1cc(F)c(N2CCC(c3ncco3)CC2)cc1Br 601185865 WDOZHSATYGQMST-UHFFFAOYSA-N 350.191 3.832 30 40 FHEB C[C@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 595538059 GPXUZOXTTXVHFE-ZDUSSCGKSA-N 353.397 3.799 30 40 FHEB C=CCN1C(=O)[C@](Nc2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 12408220 KCRZXYOWUDTBKM-GOSISDBHSA-N 374.366 3.536 30 40 FHEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)ccc1O 5214577 WNIIIUWHBTWLKK-BOPFTXTBSA-N 370.430 3.691 30 40 FHEB CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccccc2)SC1=S 2824675 GRTPEWWGHMAKMI-PTNGSMBKSA-N 368.487 3.685 30 40 FHEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1 101597326 YSLZETIPFDBOJO-QKDOTCOFSA-N 371.437 3.806 30 40 FHEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1C[C@@H]1CCCO1 6961458 KANPABMOBGDORK-TYJAPOHBSA-N 356.495 3.604 30 40 FHEB O=C1CS/C(=N\c2cnn(Cc3cccc(F)c3)c2)N1C1CCCCC1 17076290 DPTDSLHHSQFYRD-QOCHGBHMSA-N 372.469 3.966 30 40 FHEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)CC[C@H](C(=O)OC)C1=O 100740749 NNENEEZZPNGAFR-MAUKXSAKSA-N 352.471 3.814 30 40 FHEB biogenic C[C@H]1CCc2c(sc(NC(=O)CN3CCc4ccccc4C3)c2C#N)C1 34858981 RUHMPNYDJGCFLC-AWEZNQCLSA-N 365.502 3.741 30 40 FHEB CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)cnc21 12755041 SXKSHBYGIRFXMM-UHFFFAOYSA-N 351.435 3.686 30 40 FHEB C=CCO[C@H](C)C(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 58218496 GBYYLEGWFURSOB-CHWSQXEVSA-N 373.478 3.537 30 40 FHEB C=CCO[C@@H](C)C(=O)Nc1nc(-c2ccc([C@H](C)NC(C)=O)cc2)cs1 58218497 GBYYLEGWFURSOB-STQMWFEESA-N 373.478 3.537 30 40 FHEB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12768469 COXHXXAEDKVJNH-JOCHJYFZSA-N 355.397 3.679 30 40 FHEB COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 4150700 IQULCPLNTFUBDS-GIJQJNRQSA-N 360.391 3.778 30 40 FHEB C[C@]12CC[C@@H]3[C@@]45CCC(=O)C=C4CC[C@@]3(OC5)[C@@H]1CC[C@@H]2C(=O)C1N=N1 25554306 BEZPFZAQJHAMRG-RIQHCWMASA-N 354.450 3.628 30 40 FHEB CC1(C)Cc2c(C#N)c(OCc3ccccc3)nc(N3CCCC3)c2CO1 71279835 SPWXNRFXTFCKRK-UHFFFAOYSA-N 363.461 3.984 30 40 FHEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225118109 PJYVUOQALYZPTM-UHFFFAOYSA-N 365.426 3.614 30 40 FHEB Cc1ccc(S(=O)(=O)O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 88241830 FUDMVFNEBLKJIF-PXNSSMCTSA-N 359.491 3.611 30 40 FHEB N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)O)C3)cc2)cc1 263508554 WONJPIXKUSMOOA-OAHLLOKOSA-N 365.389 3.679 30 40 FHEB CC1(C)OB(c2cccc(C(F)(F)F)c2Br)OC1(C)C 642814427 IDUZBJPSTPAOJJ-UHFFFAOYSA-N 350.971 3.767 30 40 FHEB COc1cc(C#N)ccc1OS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 16084401 QHJSNYIHTJMKGF-UHFFFAOYSA-N 359.447 3.877 30 40 FHEB Cn1cccc1/C=C1\S/C(=N/c2cccc(Br)c2)NC1=O 5163111 GHKCTKQDPPBXCX-LCYFTJDESA-N 362.252 3.679 30 40 FHEB N#Cc1ccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 17478250 XUTJIOITDAIYNW-UHFFFAOYSA-N 360.200 3.654 30 40 FHEB Cc1ccc(S(=O)(=O)N(C[C@@H]2CO2)c2cc(Cl)ccc2Cl)cc1 864107 MQBXVORPPVAXHF-CYBMUJFWSA-N 372.273 3.896 30 40 FHEB N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2 711414 PSTRRIHEBZOKPK-RMKNXTFCSA-N 371.462 3.774 30 40 FHEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1cccc2ccccc12 104237960 XJVZORAIIARGCT-WQRHYEAKSA-N 359.341 3.879 30 40 FHEB C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1cccc(OCc2ccccc2)c1 43951867 BUQBDGCRSFMYOC-LPYMAVHISA-N 368.824 3.838 30 40 FHEB COc1cc(-c2c(C#N)c(N)n3c2ncc2ccccc23)cc(OC)c1OC 27753466 WFCBKUMNJJIKOI-UHFFFAOYSA-N 374.400 3.634 30 40 FHEB COc1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1 13590111 LPHNDZLEDLCRMT-IWEBCOIVSA-N 373.865 3.513 30 40 FHEB O=C(O)c1ccc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 5446552 HDUOIONAUSDLOV-YBFXNURJSA-N 351.318 3.999 30 40 FHEB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CCC#N)CC3)c12 72336032 PZADSWJSIHTQBD-UHFFFAOYSA-N 367.497 3.920 30 40 FHEB Cc1cc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2c2ccccc12 4843531 UZHHZUHJRBWKLI-UHFFFAOYSA-N 373.441 3.793 30 40 FHEB COc1cc(/C(C)=N/N=c2/sc3ccccc3n2C)ccc1NC(C)=O 97097031 TZTIPNWXTDYTGB-BRBPWCTISA-N 368.462 3.532 30 40 FHEB Cc1ccc(Cn2c(C#N)cc(N)c2N2CCN(c3ccccc3)CC2)cc1 225870433 YTOBAFOKIKJBKO-UHFFFAOYSA-N 371.488 3.625 30 40 FHEB COc1ccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)cc1 225839907 DIQWUBSGHUYRRN-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB Brc1cccc(/C=N\N2CCN(Cc3ccccc3)CC2)c1 13940581 RMVJSHOIENRKIK-ZHZULCJRSA-N 358.283 3.601 30 40 FHEB COc1ccccc1N1CCN(CC#C[C@@]2(C)CCCC(C)(C)O2)CC1 19933967 FSPAZPKCGQNDDV-JOCHJYFZSA-N 356.510 3.558 30 40 FHEB CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C 1647890 INTVTEMVYKAJMJ-UHFFFAOYSA-N 355.434 3.570 30 40 FHEB CCCCCCC[C@@H](O)CCC(=O)OCc1cc(=O)n2cccc(C)c2n1 101456524 OZQDYFCDRQNWIK-GOSISDBHSA-N 374.481 3.548 30 40 FHEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1OCC 107576169 SCZFCYMVCOOOGW-STZFKDTASA-N 356.422 3.863 30 40 FHEB CC(/N=N\c1cccc(S(=O)(=O)O)c1)=N/Nc1nc2ccccc2o1 100884138 HGOAONCFDNMIQY-ZRXXEUKSSA-N 359.367 3.604 30 40 FHEB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 7807712 JQXHVVBTVNVVJE-KRWDZBQOSA-N 355.825 3.605 30 40 FHEB CCCCOc1ccc(C(=O)NOCc2ccc(C#N)cc2)cc1OC 3377782 QACZHHPUUJMCKN-UHFFFAOYSA-N 354.406 3.607 30 40 FHEB C=CCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1OC 58194854 MSANLQBKRWFZKG-GDNBJRDFSA-N 352.386 3.927 30 40 FHEB Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)nc1 2208086 POIBLTWXOITWKU-UHFFFAOYSA-N 366.368 3.715 30 40 FHEB COc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1O 6320128 GAWGESGIJMPIJF-AWQFTUOYSA-N 369.368 3.740 30 40 FHEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 4592095 SJZOGLNJPMTMDH-QGOAFFKASA-N 372.337 3.500 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2C1=O 6650639 HLWWKFDHXGIDTA-UHFFFAOYSA-N 354.793 3.683 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 20761751 NGUKJLFMBVVSFP-LPYMAVHISA-N 350.374 3.777 30 40 FHEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c1 39557422 XCOOHCZWHROVOH-JZOCJUILSA-N 361.781 3.729 30 40 FHEB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1sc2c(c1C#N)CCCC2 1013454 VOIAOIUCLHQIEE-OVCLIPMQSA-N 366.446 3.927 30 40 FHEB CN(C)/C=N\c1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 12861480 NVCFKEZLSGGKHR-HMAPJEAMSA-N 358.405 3.805 30 40 FHEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 5129651 YTGNSZZKQUVTFL-KRXBUXKQSA-N 372.808 3.981 30 40 FHEB Cc1[nH]c(SCC(=O)Nc2cccc(C#N)c2)nc1Cc1ccccc1 5312570 VDFJKJXUEDQAFZ-UHFFFAOYSA-N 362.458 3.911 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 408731048 KEJYIHSHUAJNEK-SFHVURJKSA-N 367.430 3.894 30 40 FHEB C=CCn1c(SCCN2CC[C@H](C)C2)nnc1-c1ccccc1OC 75108805 PXVSQGFKCFZMSK-HNNXBMFYSA-N 358.511 3.574 30 40 FHEB C=CCc1cc(/C=C2/SC(=S)N(CC=C)C2=O)cc(OC)c1OC 409333451 TXGFQYMKOJCNHV-RVDMUPIBSA-N 361.488 3.820 30 40 FHEB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccc(C#N)c3)n2)c1 72322126 NPVGFAISOGBEDD-NRFANRHFSA-N 374.444 3.530 30 40 FHEB biogenic,in-vitro O=C1C=CC(=O)N1c1ccccc1SC(F)(F)C(F)(F)C(F)(F)F 5016488 XJVSMRJDHGOSFS-UHFFFAOYSA-N 373.249 3.999 30 40 FHEB CC1=C(Cl)C(=O)C(Cl)=C(C)C1=NS(=O)(=O)c1ccc(C)cc1 3471633 FTBBYLSEOKDJGY-UHFFFAOYSA-N 358.246 3.733 30 40 FHEB O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 4380732 YDKMEFRPSLHLIM-VIZOYTHASA-N 366.127 3.722 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 104126581 NFQOZZXITLZMLG-WOOAAIBNSA-N 374.371 3.847 30 40 FHEB CCC[N+](CCC)(CC(=O)N(CC)CC)Cc1ccc([N+](=O)[O-])cc1 1758905 UYJOCCIDNPGYHP-UHFFFAOYSA-N 350.483 3.600 30 40 FHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccco3)c2C#N)C1 6824558 UYMSMSYHUWDZFX-ZRQQLDRUSA-N 371.487 3.864 30 40 FHEB CCOc1cc(N2CCOCC2)c(OCC)cc1/N=C1\CCCCCN1 2638042 HVSHIYJPTYPFNV-UHFFFAOYSA-N 361.486 3.514 30 40 FHEB COc1ccc([C@@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)cc1 652691 QBQSTUROZAEQBD-XMMPIXPASA-N 368.432 3.563 30 40 FHEB CCn1cnnc1S[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12553235 JPPPKNZOHBINCA-VVBXCHJUSA-N 356.495 3.659 30 40 FHEB C=CCN(C(=O)CCNC(=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 12745939 YLQWKNLZKVWFRF-UHFFFAOYSA-N 371.506 3.882 30 40 FHEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCCC)cc21 32593390 ZDIHOAJLTTXSEV-UHFFFAOYSA-N 366.417 3.639 30 40 FHEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 38203366 BVNOKDBOOVLAEG-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB O=C(NC/C(O)=N/C1CCCCC1)c1c2c(nc3ccccc13)CCC2 329432782 ITRJJKQNNKUKAZ-UHFFFAOYSA-N 351.450 3.743 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 5376872 WYPAZWWHYAGHNR-ATVHPVEESA-N 366.442 3.927 30 40 FHEB NC(=O)/C(=N\Nc1c(Cl)cccc1Cl)c1nc2ccccc2s1 4281110 VALRLCPOWPCTCL-FYJGNVAPSA-N 365.245 3.905 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 5901093 XQNMMAZQABVEAD-LPXFMOJISA-N 368.385 3.642 30 40 FHEB biogenic CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C)o1 5923701 GNZLCANYRUZGKN-OAHLLOKOSA-N 371.462 3.738 30 40 FHEB Cc1cccnc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 53340641 PJBQEOUVGRVUOT-UHFFFAOYSA-N 354.172 3.797 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 6250361 CQSSBWQFINAYNL-LLVKDONJSA-N 355.419 3.834 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C#N)cc2)NC(=O)N1 6378418 YRBJVKUCTKBJQC-QGZVFWFLSA-N 351.793 3.722 30 40 FHEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)O)c1 409238890 OFXASHPEKCRVJL-MTJSOVHGSA-N 374.824 3.634 30 40 FHEB N#Cc1ccc([C@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225380735 IBFIAICAUIGIOG-MRXNPFEDSA-N 356.381 3.838 30 40 FHEB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(CC#N)cc3)n2)c1 225814669 KXERGJKNZNHKBF-UHFFFAOYSA-N 363.446 3.598 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3cccc(C)c3[nH]c1=O)C2 85876439 JAGUNVQJBSHRAX-OQLLNIDSSA-N 361.397 3.676 30 40 FHEB biogenic CCOC(=O)c1nc(N/N=C/c2ccccc2)sc1Br 5002819 BYMGGJRHTAPHPV-OVCLIPMQSA-N 354.229 3.528 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 13684481 VQUFDNOULNNDLF-UHFFFAOYSA-N 352.434 3.743 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC#C)C2=O)cc1Cl 15012760 KBHGEHXLIGVGMD-LCYFTJDESA-N 366.225 3.675 30 40 FHEB N#Cc1cn(C(=O)c2cccc(I)c2)c2ccccc12 226361443 MLYSZNRYYREQFC-UHFFFAOYSA-N 372.165 3.806 30 40 FHEB C/C(O)=C1\C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 101070004 IXZYQPDDSDFGRS-RBFDBLARSA-N 372.218 3.938 30 40 FHEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 102104143 OXDKWQBCSKCRNG-MRXNPFEDSA-N 373.437 3.870 30 40 FHEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 695855 GRQLKQSEFIRRQT-UHFFFAOYSA-N 357.391 3.668 30 40 FHEB COc1ccc(Cl)cc1CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 104744508 GTLGOQDCWLQRPH-LZYBPNLTSA-N 353.871 3.881 30 40 FHEB C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1C1CC1 12685773 VRBLNBMWVQMYBM-KRWDZBQOSA-N 368.506 3.627 30 40 FHEB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 4505547 KRRKWZZTAIQQGT-HNNXBMFYSA-N 365.433 3.588 30 40 FHEB C=CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2ccccc2s1 8750575 VRKWNEQJRKLJDC-UHFFFAOYSA-N 352.415 3.916 30 40 FHEB COc1ccc(-c2nc(C)c(C#N)c(SCCN3CCCCC3)n2)cc1 6764658 FQPVAISZKBVUJG-UHFFFAOYSA-N 368.506 3.910 30 40 FHEB Cc1oc2c(c(C)cc3oc(=O)c(C/C(O)=N/c4ncn[nH]4)c(C)c32)c1C 9048189 JNEQUWZWTDBVEW-UHFFFAOYSA-N 366.377 3.722 30 40 FHEB C/C(=N\OCC(=O)Nc1ccc(N2CCCC2)cc1)c1sc(C)nc1C 29645358 LUSRYLCKBXZOQQ-HYARGMPZSA-N 372.494 3.739 30 40 FHEB N#C[C@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 96004130 WVKVGXUWSWGIPU-IAQYHMDHSA-N 363.343 3.705 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)c3ccccc3C1=N2 19832080 UTFDOICSYNMKMM-PZJWPPBQSA-N 371.392 3.821 30 40 FHEB COc1cc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408730512 HCHMTEQSRTVSLK-IBGZPJMESA-N 352.390 3.535 30 40 FHEB COc1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1Cl 409240545 UMLIOAIDTNSNMN-FYJGNVAPSA-N 360.841 3.944 30 40 FHEB CCOc1ccccc1/C=C1\SC(=N)[C@@H](c2nnc(CC)s2)C1=O 137837046 VOPDYGRCVMQFGI-OCLZBJRFSA-N 359.476 3.917 30 40 FHEB CC1(C)OB(c2c(F)c(Cl)cc(Br)c2F)OC1(C)C 208395204 MHPZVEQHUBMGSV-UHFFFAOYSA-N 353.399 3.680 30 40 FHEB Cc1ccsc1/C=N/Nc1nnc(C)c(N/N=C/c2sccc2C)n1 27579522 VNRFXZYHRLKPNI-YPOGWSRFSA-N 371.495 3.812 30 40 FHEB N#C[C@@H](C(=O)CCc1ccc(F)cc1)c1nc(O)c2ccc(Cl)cc2n1 40150584 LWFLPCUTRQYIBG-HNNXBMFYSA-N 369.783 3.937 30 40 FHEB N#Cc1c(SCC(N)=O)nsc1SCc1ccccc1Cl 2185950 DVEFLMDNVQMLGU-UHFFFAOYSA-N 355.897 3.538 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 3262280 JTMKPABTROIHEB-UHFFFAOYSA-N 365.443 3.546 30 40 FHEB CCOc1ccc2c(c1)s/c(=N/N=C/c1cc(OC)ccc1OC)n2C 4703542 VTFTZIGAWOHFIL-IHBSRWQLSA-N 371.462 3.591 30 40 FHEB CCOC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1 4929002 GJNYMKXUOXFWKA-UHFFFAOYSA-N 364.755 3.774 30 40 FHEB COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2c1 9939663 DWCBXTZRXFCYRP-HNNXBMFYSA-N 360.413 3.804 30 40 FHEB COc1cccc(-c2cn[nH]c2C2CCN(c3cc(C#N)ccn3)CC2)c1 67473352 NPHBTHOAECRCOB-UHFFFAOYSA-N 359.433 3.736 30 40 FHEB N#Cc1cc(C#N)c(SCc2csc(-c3cccs3)n2)nc1N 60583027 ZJUWKUWLDKUSQX-UHFFFAOYSA-N 355.473 3.884 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2cccnc2SC(F)F)cc1 49573787 QIRJWOGEAWPAEZ-UHFFFAOYSA-N 350.346 3.504 30 40 FHEB CC1CC[N+]2(CC1)CC(=O)O[C@@H](Cn1c3ccccc3c3ccccc31)C2 95116856 GEPQFVCCNMJBPU-SGKRCEGKSA-N 363.481 3.967 30 40 FHEB C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 148712757 CHTNMZRJDIKRPJ-UHFFFAOYSA-N 365.385 3.666 30 40 FHEB CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccc(C#N)cc1 1319388260 LZOWSPMQMHECQE-UHFFFAOYSA-N 350.809 3.889 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4[C@@H](C)CC(C)=C[C@H]4C)cnc3c2c1 4028806 QTBQTTBAAXXJAQ-YTWSMPAISA-N 364.449 3.959 30 40 FHEB biogenic CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 5453082 PMAXICFZZUGSLA-HXUWFJFHSA-N 350.418 3.847 30 40 FHEB Cc1cccc2c1NC(=O)/C2=N\N=C(/Nc1ccccc1)c1ccccn1 12463016 KRVLPKCKQIYLRG-UHFFFAOYSA-N 355.401 3.605 30 40 FHEB CN(/N=C\c1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5889729 YYNFVWDJRITFOT-ODLFYWEKSA-N 351.322 3.522 30 40 FHEB Cc1sc(NC(=O)CCc2nc(-c3ccsc3)no2)c(C#N)c1C 58095529 URYDHKRRCUBBKW-UHFFFAOYSA-N 358.448 3.919 30 40 FHEB Cc1nnc(COC(=O)c2ccccc2Sc2ccccc2C#N)o1 39610534 HJZTVOOAPMLROL-UHFFFAOYSA-N 351.387 3.758 30 40 FHEB N#CCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 5212538 UGQCBZFNGWGGLI-UHFFFAOYSA-N 372.247 3.764 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCC2CCCCC2)cc1 6466240 PIMHVWORKHBZAK-JLHYYAGUSA-N 357.450 3.504 30 40 FHEB C#CCOc1c(Cl)cc(CNCc2ccc(N(C)C)cc2)cc1OC 17318084 IWJMOPLYORRSDV-UHFFFAOYSA-N 358.869 3.716 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 5868107 UCDAXBYYKUXRKB-UHFFFAOYSA-N 356.381 3.807 30 40 FHEB CCOc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 7586452 XKUSTVZPOLREJG-CSKARUKUSA-N 355.409 3.957 30 40 FHEB COc1ccc(-c2cc(C(=O)O[C@H](C)C#N)c3ccccc3n2)cc1OC 7706106 KLTQZNPEVCTKPQ-CYBMUJFWSA-N 362.385 3.988 30 40 FHEB Cn1cc(/C=C2\SC(O)=N\C2=N/c2ccc(Br)cc2)cn1 72401116 MNMBOJVBKRIQRD-SDQBBNPISA-N 363.240 3.915 30 40 FHEB COc1ccc(C(=O)C2=CN(C)CCc3c2[nH]c2ccccc32)cc1OC 79191903 NVJQDWAACMZZLF-UHFFFAOYSA-N 362.429 3.897 30 40 FHEB biogenic CCCN1C(=O)/C(=C\c2ccc(OCC#N)c(OCC)c2)SC1=S 409343504 HCWVHBMKYKHCKY-RVDMUPIBSA-N 362.476 3.599 30 40 FHEB COc1cc(/C=C/C(=O)OCCCOc2ccccc2)ccc1OCC#N 25402178 PNYUJAOZZHRXLN-PKNBQFBNSA-N 367.401 3.623 30 40 FHEB C=C(C)Cn1cnc2c(sc3nc4c(cc32)CO[C@@](C)(CC)C4)c1=O 32103254 WWKHTFWKGHZHNA-IBGZPJMESA-N 355.463 3.824 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 32061605 GLZNVTVJLNFBBK-SECBINFHSA-N 355.872 3.876 30 40 FHEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957369 PUGQAUBUXFMLPA-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB COc1ccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)cc1 225840685 YQJIVOROGPCBDB-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB Cc1cccc(C)c1NC(=O)[C@H](C#N)Cc1cc2cccc(C)c2[nH]c1=O 883120 QVPJGYQVXWJXGZ-SFHVURJKSA-N 359.429 3.774 30 40 FHEB C=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1Nc1ccccc12 1589309 AVLMMDWEIUEKEK-AAIMPIBUSA-N 373.456 3.755 30 40 FHEB biogenic N#Cc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364485 XVEKMEAMNJNOQQ-SFHVURJKSA-N 355.397 3.717 30 40 FHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(C)cc2)cc1 33777391 UONTWVWACGFWRX-VORLENPISA-N 367.474 3.858 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@H](C)C2 12563090 IDVAYSIKTOZOQG-ZIAGYGMSSA-N 365.433 3.719 30 40 FHEB CCC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2ccc(CC)cc2)cc1 36395166 CTVHPMYDFTVUAI-BUVRLJJBSA-N 367.449 3.977 30 40 FHEB N#Cc1cnn2c3ccccc3c(=O)n(Cc3cccc(C(F)(F)F)c3)c12 4089747 CPVCTQZSYXEYQE-UHFFFAOYSA-N 368.318 3.588 30 40 FHEB COc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1 408883015 PZCKIDGIJFCTAB-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB C=CCOC(=O)Nc1nnc(Sc2ccc(C(F)(F)F)cn2)s1 8716940 BVNSKVCUHYRGNI-UHFFFAOYSA-N 362.358 3.838 30 40 FHEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1 408750441 MZYSIIWYGMDCMN-JMIUGGIZSA-N 366.333 3.702 30 40 FHEB Cc1nc(N/N=C\c2ccc(O)cc2O)c2c3c(sc2n1)CCCC3 36020660 KHGMYDRXALKMJH-OCKHKDLRSA-N 354.435 3.736 30 40 FHEB C#CCOC(=O)c1ccc(OCc2ccccc2F)c(Br)c1 216818212 YICSHCSSAONVIU-UHFFFAOYSA-N 363.182 3.957 30 40 FHEB C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1cncn1 79143170 PIIAQEFWEWSHRV-NEPJUHHUSA-N 357.483 3.562 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)s1 225772754 NWXHRVJLEQUYBS-CYBMUJFWSA-N 365.480 3.621 30 40 FHEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C1\C(=O)Nc2ccc(F)cc21 19843045 HNOFQKYBQYGFNQ-YPKPFQOOSA-N 373.796 3.693 30 40 FHEB CC(C)(C)C(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc(C#N)c3)C2)C1 2055803781 UOKSQFZBKMXSDZ-IBGZPJMESA-N 361.436 3.668 30 40 FHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C#N)C1 3096996 AFUXRRZLOZKMTN-VIFPVBQESA-N 361.517 3.933 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCc2cc(Cl)c3c(c2)OCO3)cc1 22195369 SUFXXFIBMFAIMA-SRZZPIQSSA-N 360.797 3.968 30 40 FHEB C/N=C1/S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1C 12362812 DQAYUZQUMHXJHL-BBNBJWFKSA-N 356.422 3.937 30 40 FHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(NC(C)=O)cc2)c1C 8078799 CKGLJCRSGPWUGY-DHZHZOJOSA-N 354.406 3.663 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1 24031819 KUVZUMKTYNLFDG-UHFFFAOYSA-N 374.366 3.827 30 40 FHEB C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 2123603 SYABEILRJCUMSV-CIAFOILYSA-N 359.882 3.903 30 40 FHEB C=CCC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2250537 NLZCBGJMOFLKPE-IAGOWNOFSA-N 350.462 3.934 30 40 FHEB O=C1CSC(=S)N1/N=C/c1ccc(-c2nc3ccccc3s2)o1 2440386 GVLCCHUWCSQBBB-FRKPEAEDSA-N 359.457 3.751 30 40 FHEB CCN(CC)C(=S)SCC(=O)N(CCC#N)c1ccc(C)c(C)c1 70013382 QTADHEYKNUCTOY-UHFFFAOYSA-N 363.552 3.910 30 40 FHEB CC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-] 5094055 JINPMVTWSZXEOM-CQSZACIVSA-N 354.391 3.531 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1C 17242372 HOCMQSVJICGHOZ-INIZCTEOSA-N 353.447 3.551 30 40 FHEB CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 5453079 PMAXICFZZUGSLA-FQEVSTJZSA-N 350.418 3.847 30 40 FHEB Cc1ccc(C)c2nc(SCC(=O)Nc3nccs3)c(C#N)cc12 1354295 JPSTXYYUBFNGMU-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102543316 WUXMDTAQSWQOMK-WOOAAIBNSA-N 359.381 3.902 30 40 FHEB CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 16692814 CWOLZUXJABFFPJ-HYARGMPZSA-N 365.433 3.642 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1F 25358758 UWSVJRCNSWSWSF-LJQANCHMSA-N 365.452 3.779 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccc(Sc2nncs2)cc1 58406980 JAXUCJPFBJXQKL-UHFFFAOYSA-N 368.443 3.578 30 40 FHEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1)[C@H](C#N)C(=N)O2 13766009 JKNAEKWEAVBGFU-PKOBYXMFSA-N 358.401 3.587 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 13841713 XMAJTCDEXDLHMC-GXDHUFHOSA-N 373.206 3.788 30 40 FHEB Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2)n(-c2ccccc2)c1C 14074702 BVJUJBKQEFGHMN-UHFFFAOYSA-N 373.412 3.761 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1Cl 5308216 BIKJZFOVDVPNIG-UHFFFAOYSA-N 360.822 3.557 30 40 FHEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@H](C)O2 18054448 LRYIVOPPHVXKTP-RBZFPXEDSA-N 350.418 3.771 30 40 FHEB CCCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 408709462 ANSCJTXYUAFJCC-UHFFFAOYSA-N 362.514 3.611 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409007824 SLDHJVSOAOPWIO-CYVLTUHYSA-N 363.438 3.978 30 40 FHEB CN(C)/C=C(\C(=O)C(F)(F)F)c1snc(-c2ccccc2)c1C#N 96319550 QHDAIEVZHWKBMC-XFXZXTDPSA-N 351.353 3.716 30 40 FHEB C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccccn1 16755541 QIULVXMKUUZKMW-UHFFFAOYSA-N 366.446 3.510 30 40 FHEB CCN(CC)c1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1 19771374 IMZIFRKFRVCUCI-NKFKGCMQSA-N 350.510 3.685 30 40 FHEB C=CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccncc1 3350726 KBQSZIJSEUYHSX-UHFFFAOYSA-N 372.400 3.779 30 40 FHEB Cc1ccc(Nc2nc(NCCCO)c3c(c2C#N)CC(C)(C)OC3)cc1 20573577 ZPINTYMGMIFQHC-UHFFFAOYSA-N 366.465 3.651 30 40 FHEB Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C#N)c2)n1 24732627 WBJSFFJHOMXDIJ-UHFFFAOYSA-N 350.403 3.794 30 40 FHEB N#Cc1nc(-c2ccco2)oc1N1CCN(CCCc2ccccc2)CC1 27105751 UOOPBFIKTRHLEU-UHFFFAOYSA-N 362.433 3.561 30 40 FHEB C#CCN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 12944354 RMZUGBOESUQWPR-UHFFFAOYSA-N 368.893 3.767 30 40 FHEB C=CCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 4000031 FSNKQZMBDMMRJH-YAOQVBECSA-N 360.457 3.889 30 40 FHEB biogenic CCOc1c(OC(C)=O)ccc(/C=N/Nc2ccc(C)cc2)c1[N+](=O)[O-] 4647042 LVUSRMXOQCLPGV-YBFXNURJSA-N 357.366 3.673 30 40 FHEB CCCCCCCc1nnc(SCC(=O)NCc2ccco2)n1CC 408560167 CDZNTUULTXJMEQ-UHFFFAOYSA-N 364.515 3.812 30 40 FHEB CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC 27549146 BPJZJXPRSKFZGV-WQRHYEAKSA-N 370.426 3.967 30 40 FHEB C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cscn1 78483116 NQKGRTCCYWPFRW-UHFFFAOYSA-N 355.232 3.873 30 40 FHEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 225813919 XRKFEQWPWNAFJN-UHFFFAOYSA-N 366.446 3.788 30 40 FHEB Cc1n[nH]c2c1C1=C(C(=O)CCC1(C)C)[C@@H](c1ccc([N+](=O)[O-])cc1)N2 16265966 CVVNLWCKSAPBLF-QGZVFWFLSA-N 352.394 3.936 30 40 FHEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C 8300901 JHVKNNKXHYNLLE-OEAKJJBVSA-N 356.429 3.901 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 4491592 PNJRPUVGJHDEPC-GZTJUZNOSA-N 370.430 3.604 30 40 FHEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc21 8807846 GROKDYJZNBZZHD-UHFFFAOYSA-N 368.487 3.726 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1Cl 5307322 QARCRDFHVWHLAF-UHFFFAOYSA-N 374.849 3.947 30 40 FHEB Ic1ccccc1/C=N/Nc1nncc2ccccc12 4962392 SJIDJPIPIUNNNJ-VCHYOVAHSA-N 374.185 3.680 30 40 FHEB O=[N+]([O-])c1cc(/C=N\c2ccccc2I)ccc1O 408904464 JVRMZMKEYBOLQH-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OC 38201699 JAGVHGMDNSGKHD-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB CC1=C(C(=O)OCCC#N)[C@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O 34870933 KGHLHFMPMGPYKG-IBGZPJMESA-N 370.408 3.712 30 40 FHEB N#C[C@H]1C(=O)N=C(Nc2ccc(Cl)cc2Cl)NC12CCCCC2 96318569 MGFOGNJERBIHMH-NSHDSACASA-N 351.237 3.734 30 40 FHEB C=CCc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1O 12363666 ZGJGIMVEDNFZET-HZHRSRAPSA-N 369.896 3.926 30 40 FHEB CC(C)(C1=CC(=O)c2ccccc2C1=O)C1OCC2(CO1)C[C@H]1C=C[C@H]2C1 102451876 TTZJTCPHAMSKFF-DJRIBPHLSA-N 364.441 3.974 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C 871540 GHPCUZOWKVESEM-UHFFFAOYSA-N 361.492 3.653 30 40 FHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2cccs2)cc1 51366805 VMIZEFCDDTUMCL-YVXZMFEASA-N 359.476 3.611 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C=Cc2ccccc2[C@@H]1C#N 1438467 UWFUQBJWSJTGPZ-QRVBRYPASA-N 350.418 3.598 30 40 FHEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1OC 4453140 MFWVMGJQBBARHV-LJQANCHMSA-N 367.401 3.501 30 40 FHEB CCc1nnc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)s1 4959846 YYIMOCHVJWPBHI-UHFFFAOYSA-N 369.475 3.560 30 40 FHEB CC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(C)c(C)c2)nc1C 3418721 PMMKJHZWHRYNBG-UHFFFAOYSA-N 353.447 3.812 30 40 FHEB C#Cc1cccc(NC(=O)CSCc2cc(C(C)=O)ccc2OC)c1 13001486 DXELLOXBKPNABE-UHFFFAOYSA-N 353.443 3.751 30 40 FHEB Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccccc2)NCc2ccccc2)n1 8491512 HXBIWLZTQKINHJ-UHFFFAOYSA-N 374.448 3.883 30 40 FHEB Cc1cc(Br)cc2c1CN(C(=O)c1sccc1C#N)CC2 95460116 KNLJSUZKKUMNIV-UHFFFAOYSA-N 361.264 3.889 30 40 FHEB N#Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 557078543 GICMZSHXGKGVAT-HNNXBMFYSA-N 359.351 3.992 30 40 FHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218403992 GUVDCUXQNOJYBU-ROUUACIJSA-N 370.861 3.876 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC)cc2OC)c1C 8321388 KNZZAWJJZJAPPA-CSKARUKUSA-N 357.406 3.722 30 40 FHEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 8369948 WIJMQYRMKXUCSV-UKWGHVSLSA-N 362.813 3.791 30 40 FHEB COc1cc(/C(C)=N/N=c2/sc3ccccc3n2C)cc(OC)c1OC 34738296 YYCVVYYLXBHTHF-IHBSRWQLSA-N 371.462 3.591 30 40 FHEB C=CCO[C@H]1CC2(CCN(C(=O)c3ccnn3C)CC2)c2cc(C)ccc21 1565542020 CBLJFOZUKVNPEA-FQEVSTJZSA-N 365.477 3.550 30 40 FHEB C=CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(CC)c(C)sc21 32094872 IIZDJTAGSUEOCR-UHFFFAOYSA-N 350.447 3.830 30 40 FHEB CCN(CC)C(=O)C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1 1664719 RPCCQGUBBUAERX-UHFFFAOYSA-N 369.529 3.737 30 40 FHEB CCCCCCCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCCCCCCC 101342142 LSFNVBFEFPZYFU-ROUUACIJSA-N 374.518 3.516 30 40 FHEB COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])o1)C1=C(CCCC1=O)N2 18197487 OWQZKVKTZHVJPX-SFHVURJKSA-N 370.361 3.770 30 40 FHEB C=CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2s1 14138749 GSXUZXLPHBJMFT-UHFFFAOYSA-N 372.471 3.533 30 40 FHEB Cc1oc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(C#N)c1C 408918412 KFDUMXMCFOWUIC-UBKPWBPPSA-N 364.155 3.895 30 40 FHEB N#C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F 76646676 BVSJSFPEFLVJLG-KRWDZBQOSA-N 354.772 3.659 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408811170 KNGYSMWEAIUIBS-AQTBWJFISA-N 365.410 3.948 30 40 FHEB CCOC(=O)c1ccc(C#N)c(SCCOc2ccc(OCC)cc2)n1 32899294 LZYDGBRQIZEPIB-UHFFFAOYSA-N 372.446 3.700 30 40 FHEB Cc1nc(N/N=C/c2ccc(O)cc2O)c2c3c(sc2n1)CCCC3 4154833 KHGMYDRXALKMJH-DJKKODMXSA-N 354.435 3.736 30 40 FHEB O=C1/C(=N/Nc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 5603858 HVEZWAPZUJJJKB-LPYMAVHISA-N 350.275 3.559 30 40 FHEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2 102140942 QANAUOKCWZHAPF-CQSZACIVSA-N 353.447 3.763 30 40 FHEB CC(C)CSc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 7232134 HWBYFJKKZTXDBR-UHFFFAOYSA-N 364.521 3.889 30 40 FHEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102798219 PIBUADMXOIBKEU-LVFSCSRESA-N 366.808 3.849 30 40 FHEB N#Cc1c(O)c(/C=N\c2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 104103717 SASCQYZHWAEJPR-YVNNLAQVSA-N 362.776 3.762 30 40 FHEB COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1959792 NDXHYCNMEAHEGY-GFCCVEGCSA-N 356.447 3.771 30 40 FHEB Cc1ccc(/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)o1 17206866 NQMLESZGFDIILH-LDADJPATSA-N 358.232 3.783 30 40 FHEB Clc1cc(Cl)c(OCc2ccccc2)c(/C=N/Nc2nn[nH]n2)c1 6475200 XDTLMGXLYRXWMR-QGMBQPNBSA-N 363.208 3.532 30 40 FHEB CCC(CC)c1nc(C#N)c(N2CCN(c3ccc(OC)cc3)CC2)o1 6859280 UYDFVQJEMQPZFC-UHFFFAOYSA-N 354.454 3.785 30 40 FHEB CCNc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)s1 18662929 HIZYTWIBKMZPIX-XNTDXEJSSA-N 374.535 3.943 30 40 FHEB O=C(/C=C/c1ccc2c(c1)OCO2)O/N=C/c1ccc(Br)cc1 7737339 UBKURGXUIZFZLQ-MOPJDAFUSA-N 374.190 3.768 30 40 FHEB Cc1ccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)cc1 409340869 BDXFVJLSYWYOLK-UHFFFAOYSA-N 372.428 3.700 30 40 FHEB Cc1cccc(C(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)c1 32907514 RHQICYRPGFAPJE-UHFFFAOYSA-N 374.465 3.825 30 40 FHEB C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 85909641 TZUGIFAYWNNSAO-CPHCKLLXSA-N 366.461 3.593 30 40 FHEB biogenic,in-vitro O=C1c2ccccc2C(=O)c2c1ccc(/C=N/Nc1ccccc1)c2[N+](=O)[O-] 4265567 RNSRWRQUIWDJBS-WSDLNYQXSA-N 371.352 3.816 30 40 FHEB Cc1ccc(C(=O)COC(=O)CCSc2nc(C)cc(C)c2C#N)cc1 13579573 KIRPLFDCTSMZGB-UHFFFAOYSA-N 368.458 3.787 30 40 FHEB N#Cc1cccc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 75165899 OITVSGONONODKR-OALUTQOASA-N 363.417 3.848 30 40 FHEB CCOc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 2197370 IVVAHBZJQDRUHC-UHFFFAOYSA-N 363.373 3.953 30 40 FHEB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCC#N)cc2)cc1 23150317 BMLURQPARHTZKG-UHFFFAOYSA-N 352.390 3.589 30 40 FHEB O=C(/C=C/c1ccc(OCCO)cc1Br)c1ccc(F)cc1 11287182 QALQQWJWBRQVLN-XBXARRHUSA-N 365.198 3.855 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 18195504 WQLWGHOPFSZGJQ-LLVKDONJSA-N 350.205 3.987 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408807648 DDOGWSBYEIHOGM-LCYFTJDESA-N 353.827 3.970 30 40 FHEB COc1cc2c(cc1C)/C(=N/OC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 32131528 RXDYVOJLTNVPBQ-DYTRJAOYSA-N 368.389 3.738 30 40 FHEB CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1C 222996667 USQGMXHOTNRYNT-UHFFFAOYSA-N 356.447 3.750 30 40 FHEB COc1cccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 95215269 MWCJPMVNVHSCLY-DARPEHSRSA-N 370.412 3.914 30 40 FHEB O=S(=O)(/N=C(\N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1 6013537 NXFZSGDXXKHWPR-ATVHPVEESA-N 369.701 3.630 30 40 FHEB N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270564 HACGOUPHRFVTIX-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 8238074 MUZUVPXHEXKZCQ-UHFFFAOYSA-N 363.339 3.527 30 40 FHEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 1306636 GHRPBQARUDVBKS-INIZCTEOSA-N 372.218 3.938 30 40 FHEB N#Cc1cccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c1 22844915 NULKUUVEXUTYPV-UHFFFAOYSA-N 352.371 3.513 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 3235765 FEIJUYJLBMCNBI-UHFFFAOYSA-N 370.408 3.945 30 40 FHEB CCOC(=O)c1cc(OCc2cc(C#N)ccc2F)cc(C(=O)OCC)c1 10870402 OWOHFUFJJYXIOX-UHFFFAOYSA-N 371.364 3.630 30 40 FHEB COc1ccc(/C(C)=N/N2CCCCC2)cc1CSc1ncccn1 58793542 XXNVUQFOPLSEHV-PXLXIMEGSA-N 356.495 3.987 30 40 FHEB CCC(=O)N(CCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O 4106722 VVIOPQSGGOXYDF-UHFFFAOYSA-N 367.832 3.997 30 40 FHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4)nc3c2[C@H]1c1ccco1 5346745 MNKSZZWGOWVABM-KRWDZBQOSA-N 372.384 3.772 30 40 FHEB CCCCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 7261759 KMPQEFLRCWQGJT-BQYQJAHWSA-N 357.410 3.954 30 40 FHEB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)NC1(C#N)CCCCC1 7604138 CQQVTIKEOKHVNX-HNNXBMFYSA-N 350.418 3.728 30 40 FHEB C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 33325166 DEHSEEOEEPHOIC-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)CC#N)[C@H]2c2cccs2)cc1 106531747 WERIOUVQEWNHMY-ALKREAHSSA-N 367.474 3.569 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H](C#N)CCC(=O)c2ccc(Cl)cc2)cc1 1582519 WBQSPYVBUHEACH-KRWDZBQOSA-N 361.850 3.977 30 40 FHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc12 4305180 LBXIBQQYUBUMMK-FRMGNDQPSA-N 366.461 3.744 30 40 FHEB COc1ccc(Br)c(/C=N/c2ccc(C(=O)O)cc2C)c1O 809145 VOPJRUZJXFEFJZ-QGMBQPNBSA-N 364.195 3.921 30 40 FHEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(O)c(CN2CCCCC2)c1 23085344 FXISRBUZEPVHPA-XQNSMLJCSA-N 353.470 3.621 30 40 FHEB N#Cc1c(O)c(/C=N/c2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 102951868 SASCQYZHWAEJPR-LSHDLFTRSA-N 362.776 3.762 30 40 FHEB OP(C(C(F)(F)F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F 103663086 DOSABCABMAYSHS-UHFFFAOYSA-N 366.038 3.682 30 40 FHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2cc(Cl)ccc21 1320486 USLVDJSHDUCUQT-FQEVSTJZSA-N 355.821 3.642 30 40 FHEB CC/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC 12624264 NKTXCZVERSECAY-ZBBYCGENSA-N 355.463 3.508 30 40 FHEB CC/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC 7883600 NJPHXKIFXGJEQW-ZBBYCGENSA-N 355.463 3.508 30 40 FHEB C#CCOc1ccccc1[C@H]1NC(=O)c2sc3nc(C)cc(C)c3c2N1 9469675 CHANUZOPFCKMOR-GOSISDBHSA-N 363.442 3.779 30 40 FHEB CCCCCCc1ccc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1 40057347 KKAPQOUGYKQUPY-UHFFFAOYSA-N 351.450 3.738 30 40 FHEB COc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)ccc1OC(C)=O 5378921 LHXXKDDUMOVZTN-GEVRCRHISA-N 374.265 3.762 30 40 FHEB CCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\OC(C)=O)cc1 7615729 SWBLEOICAHIZFH-XDOYNYLZSA-N 350.374 3.626 30 40 FHEB CC1CCN(CN2C(=O)/C(=N/c3cccc(F)c3)c3ccccc32)CC1 100067659 YZCJMBXHWPHCQW-BSYVCWPDSA-N 351.425 3.983 30 40 FHEB COc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 20947404 XLTHZSZBJKZWES-OAQYLSRUSA-N 363.461 3.779 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 4754789 DHOLMHFYXLBMEV-WZPIMRLYSA-N 365.418 3.998 30 40 FHEB CCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC 2704839 USGMNLZFSTUZPH-YBFXNURJSA-N 368.385 3.887 30 40 FHEB biogenic,in-vitro Fc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c(F)c1 59302748 IPFAJGLXJMHEBH-DJKKODMXSA-N 371.181 3.908 30 40 FHEB COc1ccc2[nH]cc(C3CCN(c4nnc(C)c(C)c4C#N)CC3)c2c1 57142120 AMYYTQXGSXIHFL-UHFFFAOYSA-N 361.449 3.839 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)NCCc2c[nH]c3ccccc23)n1 6820646 GLUSLCYKFIKPCH-UHFFFAOYSA-N 364.474 3.502 30 40 FHEB CC1=NN(c2ccccc2)[C@H](N)/C1=N\Nc1ccc2sc(C)nc2c1 4930264 SIZIJAURNKRGKX-LSOGNMMWSA-N 350.451 3.554 30 40 FHEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)o1 9422100 HIFYSVHXOANMAQ-UKWGHVSLSA-N 374.396 3.951 30 40 FHEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc2c(c1)OCO2 408974883 HXRBBVGAHQGYBE-KEBDBYFISA-N 364.361 3.877 30 40 FHEB CCN(CC)c1ccc(/N=C2\C=C(C(=O)NC)C(=O)c3ccccc32)cc1 34190926 MIEPHHHNLFMNBK-HIXSDJFHSA-N 361.445 3.522 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717935 OBDUPUIMCQSOHW-CQSZACIVSA-N 370.836 3.896 30 40 FHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2c(F)cccc2Cl)CC1 32827782 FTGOCYHSRKGYLN-UHFFFAOYSA-N 360.820 3.538 30 40 FHEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 107796681 JUFNCDRPTBAMNW-UKWGHVSLSA-N 366.776 3.703 30 40 FHEB N#Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 1932422 UNBXCLJYXITCQH-UHFFFAOYSA-N 372.362 3.567 30 40 FHEB C=CCNc1nc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cs1 10134377 TYRLJJZNMLGNCL-UHFFFAOYSA-N 366.826 3.618 30 40 FHEB C=CCc1cc(OC)cc(CN2CCc3cc(OC)c(OC)cc3C2)c1O 14183989 BRAWHRXUSLKRRE-UHFFFAOYSA-N 369.461 3.705 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(C(F)(F)F)cc1 5421159 HLXRAMJFRKLEOB-DHDCSXOGSA-N 361.319 3.804 30 40 FHEB N#CCCSc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 95953609 GEIUCUBTDHKGNM-UHFFFAOYSA-N 367.390 3.729 30 40 FHEB C=C(C)COc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 219794912 ICWKFHICBZCGGN-UHFFFAOYSA-N 365.477 3.646 30 40 FHEB C[C@]12CN(C(=O)c3ccccc3Br)[C@]3(C#N)C[C@H]1CC[C@]23C 35982084 CVHMQGJZIHCCGG-IUHNQTRMSA-N 359.267 3.994 30 40 FHEB Cc1cccc(Cn2c(C#N)cc(N)c2N2CCN(c3ccccc3)CC2)c1 225870409 INCQEBVMBODNKS-UHFFFAOYSA-N 371.488 3.625 30 40 FHEB N#CCOc1ccccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O 5716867 BJWSLDFWENQTBG-WJDWOHSUSA-N 353.378 3.620 30 40 FHEB C=CCn1cc(/C=c2/s/c(=C\c3ccc(C)cc3)[nH]c2=O)c2ccccc21 6388194 HQWRXNAOEDFTIR-LZGPLHLBSA-N 372.493 3.543 30 40 FHEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 6022262 FIHQRDOWAQYTBT-QGZVFWFLSA-N 358.825 3.802 30 40 FHEB Cc1c(C(=O)OC(C)C)sc(NC(=O)COc2ccccc2)c1C#N 996214 UMQJKBCTMZTJSW-UHFFFAOYSA-N 358.419 3.511 30 40 FHEB N#Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)c(Cl)c([N+](=O)[O-])c1 89807656 KZVGHGKHIQBVLK-UHFFFAOYSA-N 371.780 3.626 30 40 FHEB C[S@@](=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N 4060111 SADQDTDNTVDYGZ-QFIPXVFZSA-N 353.230 3.855 30 40 FHEB COc1ccc(NC(/N=C(\O)C(C)C)=N\c2nc(C)cc(C)n2)cc1OC 18113582 FACIUVUZXNRCCG-UHFFFAOYSA-N 371.441 3.823 30 40 FHEB CCOc1ccc2c(c1)O/C(=C\c1ccccc1O[C@@H](C)C(=O)OC)C2=O 8823729 ZJBHPNFVZBMJCW-JFENUBAZSA-N 368.385 3.642 30 40 FHEB CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)cc1Cl 24754233 HCOAADZVLOYTBX-UHFFFAOYSA-N 355.774 3.517 30 40 FHEB O=S1(=O)CC/C(=N\Nc2cccc3c2CCCC3)c2cc(F)ccc21 84445688 SRSGHOLMBLBGAV-RELWKKBWSA-N 358.438 3.698 30 40 FHEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 225669700 URYFTYXVERRCHJ-OWCLPIDISA-N 355.242 3.748 30 40 FHEB Brc1ccccc1/C=N\N1CCN(Cc2ccccc2)CC1 13898154 HIKONUUVCMZDNT-ZHZULCJRSA-N 358.283 3.601 30 40 FHEB N#C[C@H](C(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2o1 41543368 IZVROQJJHDNSTC-MRXNPFEDSA-N 359.385 3.835 30 40 FHEB C=C(C)COc1cc(OCC(=C)C)c2c(C)c(CC(=O)O)c(=O)oc2c1 646810 XJQKFQIGUMLRFM-UHFFFAOYSA-N 358.390 3.638 30 40 FHEB CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1ccc(C(=O)O)cc1 33928405 GPLCMLXYYMNWKL-DOXJHMMXSA-N 368.414 3.714 30 40 FHEB CC(=O)CC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100045372 WKZWQTGKGJHUHH-RXMQYKEDSA-N 370.114 3.570 30 40 FHEB N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)nc1 12536600 VTTWREIPXKBMDJ-UHFFFAOYSA-N 356.414 3.747 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 48362978 ZTPZBMPJAFXGRB-HNNXBMFYSA-N 370.796 3.725 30 40 FHEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)CCc1cccc(Cl)c1 48677637 XYFUARRQPXGEFA-UHFFFAOYSA-N 366.870 3.606 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/COc3cc(C)cc(C)c3C2=O)cs1 63411738 ASNZAVTWPWXYPP-ZSOIEALJSA-N 356.447 3.791 30 40 FHEB COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)cc1 4470312 OWPLUBDSIQPNIR-LFIBNONCSA-N 352.415 3.673 30 40 FHEB CC/N=C1/S/C(=C/c2cc(Br)ccc2OC)C(=O)N1CC 408930261 USLGTCAHJJVJGK-MLUUXWFWSA-N 369.284 3.770 30 40 FHEB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 7719421 ZGHQSXZKJHANRS-UHFFFAOYSA-N 362.414 3.892 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)s1 9954632 OUZMZBPRTMEIEQ-UHFFFAOYSA-N 374.495 3.703 30 40 FHEB Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)/C(=C\c1cccnc1)O2 37857542 ORDXGXKFAFMEQL-YBFXNURJSA-N 364.445 3.944 30 40 FHEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 4428410 XPJSYVSOPZVTNB-STPLJEHOSA-N 360.494 3.811 30 40 FHEB biogenic,in-vitro Cc1ccccc1[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 331744354 YCZNJODLAMNLPY-INIZCTEOSA-N 353.491 3.973 30 40 FHEB C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 6065082 DRTPYRAANKIQPY-RSPDNQDQSA-N 354.793 3.795 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(C[C@@H](C)CC1=O)N2 19959571 ASAMBBYHVUAXDZ-DIFFPNOSSA-N 370.478 3.667 30 40 FHEB COC(=O)CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 848180 LWPKPORCUZIXBB-UHFFFAOYSA-N 371.396 3.789 30 40 FHEB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 4332772 WHCOCQYMLVKUHT-HNNXBMFYSA-N 366.417 3.777 30 40 FHEB COC(=O)Cn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10119149 WYADQBNHLGMPGE-SSDVNMTOSA-N 355.825 3.591 30 40 FHEB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)csc2C1 8669599 GDRVPWORNLIBJD-GFCCVEGCSA-N 354.431 3.540 30 40 FHEB C=C(C)Cn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 2721560 CHUHJNPRLMJDPS-UHFFFAOYSA-N 363.461 3.984 30 40 FHEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC 100177110 NGWBXNKZVBQWIZ-QBNCKDSPSA-N 361.511 3.915 30 40 FHEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3250027 PWFJZGRWXKFJQI-NSHDSACASA-N 362.307 3.761 30 40 FHEB COCCNC(=S)N/N=C/c1cccc(Oc2ccc(Cl)cc2)c1 3253548 XEEOJQXNXFSSKL-UDWIEESQSA-N 363.870 3.577 30 40 FHEB Cc1nc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)ccc1C#N 96001218 FIJNBTJVDTZVNB-INIZCTEOSA-N 353.426 3.526 30 40 FHEB CCC(=O)N(c1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)s1)C1CC1 9516316 SYKFWEIRCXPBHT-OAHLLOKOSA-N 372.519 3.979 30 40 FHEB C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 95995142 LDGFGKDMEWVHOP-GHTZIAJQSA-N 364.489 3.892 30 40 FHEB C/N=C1/S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1C 408928989 GHKOOTOMJBYXGQ-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(Br)c2)cc1 5813332 KORVIZPWVOJXTG-UHFFFAOYSA-N 373.206 3.658 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 15162255 WCNOMTXXYDUQJZ-JEVPPGJFSA-N 374.440 3.770 30 40 FHEB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)cc1 31673572 FRUQKSIFTLAVAJ-SNVBAGLBSA-N 363.186 3.866 30 40 FHEB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)NC1(C#N)CCCCC1 7604140 CQQVTIKEOKHVNX-OAHLLOKOSA-N 350.418 3.728 30 40 FHEB N#Cc1ccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 45956171 ZRHNERFDRBVXKC-UHFFFAOYSA-N 358.401 3.854 30 40 FHEB CCOc1ccc(NC(=O)CSc2nc(C)cc(COC)c2C#N)cc1 1091022 FPENCIGODIUPPW-UHFFFAOYSA-N 371.462 3.538 30 40 FHEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C2 1120883 BSUPBEZJWQANHP-BTYIYWSLSA-N 371.433 3.581 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)N(C)C)c1 3893635 IRRCYYGJNJXSIK-HTXNQAPBSA-N 350.871 3.654 30 40 FHEB CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C)Sc2ccccc2N1 102983498 ZSMZNLSBPTYCIF-UHFFFAOYSA-N 366.442 3.911 30 40 FHEB C=CCN1C(=O)/C(=C/c2cn(CCC)c3ccccc23)C(O)=NC1=S 2351818 OFOAVAZUCVLUQI-RVDMUPIBSA-N 353.447 3.704 30 40 FHEB N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 3417984 HIEJCSXDOIJZJV-UHFFFAOYSA-N 356.425 3.963 30 40 FHEB CCCCCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 408709383 RWRROAVKUBPPRK-UHFFFAOYSA-N 350.459 3.509 30 40 FHEB COc1cc(/C=N/C[C@@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 4089605 LAWRUBRIRALFEC-CTJICSLTSA-N 360.841 3.921 30 40 FHEB CCN([S@@+](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 5106468 BELAECAGMQKEOI-OAQYLSRUSA-N 356.920 3.881 30 40 FHEB CN(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)S(C)(=O)=O 19855661 CGOUJTPIWPLFPY-DEDYPNTBSA-N 354.431 3.692 30 40 FHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc3ccccc23)CC1 29225282 WNUCVTAINHIIPC-UHFFFAOYSA-N 358.445 3.899 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 21499479 PQWSCRUYIXBSNH-UHFFFAOYSA-N 370.361 3.814 30 40 FHEB C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2ccccc2c1=O 8744749 XKISVUPVFBUQJQ-KRWDZBQOSA-N 366.442 3.589 30 40 FHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1 100765437 SYNMSLJCEHGLDX-NHCUHLMSSA-N 365.448 3.852 30 40 FHEB CCn1c(C)cs/c1=N/N=C/c1ccc(OC)c(Br)c1 2887877 KESPRRXBNFKHST-IFTYSCLRSA-N 354.273 3.584 30 40 FHEB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(C#N)cc2)CCCCCC1 24493535 RRWCZEPEZSWEGF-UHFFFAOYSA-N 371.481 3.906 30 40 FHEB COc1ccc(Cn2nc(Cc3ccccc3Cl)c(C#N)c2N)cc1 225847776 LAXSWNWBODGMLX-UHFFFAOYSA-N 352.825 3.638 30 40 FHEB C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)C[C@@H](C)CC)[C@H]12 198550578 RHNRTKTXTFENOC-OAJHIWMTSA-N 364.482 3.561 30 40 FHEB biogenic,in-vitro CC1=C(N/N=C(\C#N)c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)[C@H]1C 1554504426 IHMQAYQUPQIZFP-WHMTVJGESA-N 369.428 3.657 30 40 FHEB Oc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 5227438 MXPOXALFLVGKJF-XDHOZWIPSA-N 361.239 3.742 30 40 FHEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 5725619 BUFIZIKZFCQXPW-CJTUPEFNSA-N 358.463 3.574 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 5428731 NJODJTOSZVDVHA-QGMBQPNBSA-N 354.244 3.968 30 40 FHEB C#CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cccc(OCC)c21 100910371 BMDXKDAGGNBUPN-QOCHGBHMSA-N 372.396 3.754 30 40 FHEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)ccc1O 12032475 OVQYTFHWNCAIBN-LICLKQGHSA-N 354.431 3.909 30 40 FHEB COCC/N=c1/scc(-c2ccco2)n1/N=C/c1c[nH]c2ccccc12 103460916 VUDBXTRLKYTUSQ-XCGNSZDSSA-N 366.446 3.720 30 40 FHEB CSc1ccc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 2211059 OSKFBSHONPVFGT-ZVBGSRNCSA-N 352.394 3.621 30 40 FHEB CCOc1ccccc1C(=O)N1CCS/C1=N\c1ccc(OC)cc1 28605053 TUEFTLSHZISIIU-VXPUYCOJSA-N 356.447 3.971 30 40 FHEB CCc1ccc(-c2c(C)sc(NC(=O)CSCC(=O)O)c2C#N)cc1 17076657 LVMBRIZQLMEZGL-UHFFFAOYSA-N 374.487 3.914 30 40 FHEB COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 5577064 VVBVLEZMGGOHQV-BOPFTXTBSA-N 353.447 3.653 30 40 FHEB CN(Cc1cccc(C#N)c1)c1ccnc2cc(Br)cnc12 96009271 UCZCXZHRVPGAKU-UHFFFAOYSA-N 353.223 3.900 30 40 FHEB O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1C1CCCCC1)c1cccc2nsnc12 76767184 CFUKVMBZRXIBBF-VXGBXAGGSA-N 365.480 3.553 30 40 FHEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 89420063 FSANAFYMWXPMME-RHSMWYFYSA-N 370.836 3.659 30 40 FHEB CCNc1c(N/C(O)=N/Cc2cccc(OC)c2)c(=O)oc2ccccc12 28048708 GODZZHPEACJPEQ-UHFFFAOYSA-N 367.405 3.760 30 40 FHEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800800 UVQGXNZXVZSTBM-UHFFFAOYSA-N 365.404 3.585 30 40 FHEB COc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405359 UEATXQKCWADWBC-UHFFFAOYSA-N 355.397 3.954 30 40 FHEB COc1c2c(cc3c1[C@H](C/C(=N/O)[C@@H]1CC=C(C)CC1)N(C)CC3)OCO2 33957518 LURJWDVAWXQBDF-YFFDSABZSA-N 372.465 3.920 30 40 FHEB biogenic N#CCCN1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 602202430 FQTGNWZNACGISS-UHFFFAOYSA-N 370.456 3.573 30 40 FHEB COc1ccc(-c2nc(NCc3cccc(Cl)c3)nc(O)c2C#N)cc1 40129961 GZOKFJGQAWKWKI-UHFFFAOYSA-N 366.808 3.995 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1SCC(F)(F)F 36702488 RWLNZHOUNXCJPC-HNNXBMFYSA-N 359.417 3.807 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(OC(F)F)c2)c1C 3371271 XJHDJRQWIPTEKS-UHFFFAOYSA-N 363.360 3.932 30 40 FHEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 4888150 XLKKTKRVTWBFPK-RXSWUABFSA-N 367.474 3.939 30 40 FHEB N#C[C@H](C(=O)/C=C/c1nccs1)C(=O)Nc1cccc(Cl)c1Cl 104095902 QFLBIJAMDAKFMA-XNPJLODASA-N 366.229 3.811 30 40 FHEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 16741700 GRENSORZJLEQQE-QGZVFWFLSA-N 371.820 3.995 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)c1cc(Cl)sc1Cl 21632116 PNKWAWASVPUJGU-UHFFFAOYSA-N 361.231 3.784 30 40 FHEB NC1=C(c2ccccc2)C(=O)CN1c1ccc(Br)c(Cl)c1 3268667 SYIPDMJFRMTSIY-UHFFFAOYSA-N 363.642 3.819 30 40 FHEB N#CCCN(Cc1ccco1)C(=O)Cc1ccc(F)c(Br)c1 58193255 ZDBOYZFZUBJKRS-UHFFFAOYSA-N 365.202 3.666 30 40 FHEB Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2n1 4241812 DWTWTZUYOQHCBI-UHFFFAOYSA-N 354.479 3.715 30 40 FHEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 14124851 YGGHVJYLEHNVPC-CYBMUJFWSA-N 358.825 3.694 30 40 FHEB C[C@@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 18102756 YTMXFXCIRZRDAL-OVDVQJHRSA-N 374.481 3.939 30 40 FHEB N#Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 6871212 NZZKWOCHZOWVQW-OAQYLSRUSA-N 367.408 3.894 30 40 FHEB COc1cccc(/N=C/c2ccc(O)c(I)c2)c1 408904936 QSQMWLBEHJQYSC-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB COc1ccccc1C(=O)/C=C1\Nc2ccc(C(F)(F)F)cc2NC1=O 16228363 AGNVAAXYTYNXJD-ZROIWOOFSA-N 362.307 3.845 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(F)c1 9303944 UOAOUWVXTYYSRX-UHFFFAOYSA-N 374.485 3.811 30 40 FHEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCC(=O)O 409142692 CVAPEYWJWWNPCB-IFRROFPPSA-N 362.769 3.644 30 40 FHEB C=CCc1cc(C(=O)N[C@H](C)COc2ccc(OC)cc2)ccc1OC 218656177 OAGJYHCPDQEOCU-OAHLLOKOSA-N 355.434 3.630 30 40 FHEB OC(CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)=Nc1ccc(Cl)cn1 329078928 QQKFKAMBQNOYIB-SQNIBIBYSA-N 371.868 3.828 30 40 FHEB N#Cc1ccc([C@H]2CN(C(=O)Nc3ccc4ccccc4n3)CCO2)cc1 1208065810 PPWDUIJFUNFOGF-LJQANCHMSA-N 358.401 3.712 30 40 FHEB CCC(=O)N1c2ccc(C(=O)C[n+]3ccc4ccccc4c3)cc2C[C@H]1C 5000294 WVLBHWGBEZZYTF-MRXNPFEDSA-N 359.449 3.698 30 40 FHEB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2sccc2C#N)c1 5357849 YEGIJXWXRGIPIO-UHFFFAOYSA-N 369.475 3.548 30 40 FHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 32559446 WQZOFLRECJYNJI-RHSMWYFYSA-N 358.511 3.911 30 40 FHEB COc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C(C)=O)cc1 24544065 AHGOUJSASNCLMQ-SMSCYPBYSA-N 370.405 3.985 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)ccc1O 12528373 XQBBITXXHCNQEJ-XVNBXDOJSA-N 371.408 3.663 30 40 FHEB C[C@@H]1Cc2ccccc2N1C(=O)CO/N=C/c1ccccc1OC(F)F 3320752 XYIOTEPWSBHXNQ-XIJPWPHISA-N 360.360 3.616 30 40 FHEB O=C(/C=C/c1cc(Br)ccc1F)c1ccc2[nH]c(=O)[nH]c2c1 12924157 ZMXIRPSAPJFRCE-QHHAFSJGSA-N 361.170 3.654 30 40 FHEB CCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 4554539 NHTOXNGWYPDLFS-UHFFFAOYSA-N 359.476 3.762 30 40 FHEB C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 7680083 NSLYHPHYHRPBKQ-GOSISDBHSA-N 374.531 3.773 30 40 FHEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/C=C/c2ccccc2)S1 409090342 MLPADZTYVRUIJD-LNTRKHKOSA-N 371.458 3.591 30 40 FHEB N#Cc1cn(C(=O)COc2ccc(Br)cc2)c2ccccc12 226362118 RJRZUSYWWZZCPJ-UHFFFAOYSA-N 355.191 3.995 30 40 FHEB C=CCO[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)c2cc(C)ccc21 1565542847 XXSVZHNMRIDQNF-IBGZPJMESA-N 351.450 3.540 30 40 FHEB O=C(Nc1cccc2ccccc12)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119703 HIMCEPMQQGXSHH-YBHKSSGVSA-N 362.351 3.888 30 40 FHEB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 40116717 NAFSPPRZRDBMFS-GOSISDBHSA-N 373.334 3.544 30 40 FHEB N#CC1(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCCCCC1 51797833 ZRYHUZKGKSECBH-ZIAGYGMSSA-N 374.403 3.631 30 40 FHEB CN1C(=O)N[C@H](c2ccccc2OC(F)F)C2=C1CC(C)(C)CC2=O 2701450 QABZHMPMZWLZTD-OAHLLOKOSA-N 350.365 3.627 30 40 FHEB COc1ccccc1N(CCC#N)C(=O)COc1ccc(F)cc1Cl 3348143 LNBGQIPWLSGTDH-UHFFFAOYSA-N 362.788 3.813 30 40 FHEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20045273 YDYMDBDPDJGRRH-AWEZNQCLSA-N 355.434 3.932 30 40 FHEB O=[N+]([O-])c1cc2c(cc1/C=N/n1cc(-c3ccccc3)[nH]c1=S)OCO2 8045185 DCAHYILEZSJFPJ-QGMBQPNBSA-N 368.374 3.732 30 40 FHEB C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1ccc2nccnc2c1 5561284 YWXWVCRMZRZATC-YSURURNPSA-N 360.446 3.959 30 40 FHEB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1cccs1 5626433 VKVKLBBLGMJVQO-LICLKQGHSA-N 352.448 3.941 30 40 FHEB N#CCCN(CCC#N)C(=O)CSc1nc(-c2ccccc2)cs1 5971797 QABTYMSEEZJVTM-UHFFFAOYSA-N 356.476 3.558 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222844179 HOQQFSFWYXLPLN-CQSZACIVSA-N 372.852 3.970 30 40 FHEB Cc1ccc(Cn2cc(C#N)c(=O)c3cc(F)c(N4CCCC4)cc32)cc1 1775967618 YCZSHEAKZZOJMT-UHFFFAOYSA-N 361.420 3.969 30 40 FHEB COc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C(C)C)cc1 11097020 WTOJGZLBZIDWMW-QRWLVFNGSA-N 351.450 3.881 30 40 FHEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccccc3F)nnc12 3365279 NODPAVOTOOSZCT-UHFFFAOYSA-N 366.421 3.662 30 40 FHEB COc1ccccc1NC(=O)CCSc1nc(C)c(C(C)=O)cc1C#N 32871159 WMFNEGBPGXJTOK-UHFFFAOYSA-N 369.446 3.594 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 2776329 SSMZOAGTGRHGMJ-LJQANCHMSA-N 369.461 3.949 30 40 FHEB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 59287178 MMOUPOYEHUZLEN-OAQYLSRUSA-N 361.489 3.761 30 40 FHEB C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 5511198 WKWCNWSRMKCURR-UHFFFAOYSA-N 373.434 3.772 30 40 FHEB C=CCN(CC=C)Cc1c(C)nc2ccc(C(=O)OCCC)cc2c1O 8717191 SGYWRPNHMWMFMI-UHFFFAOYSA-N 354.450 3.990 30 40 FHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 5847702 SLFUHXUTAAWJDA-HNNXBMFYSA-N 365.458 3.613 30 40 FHEB COc1cccc(-c2nc(C(=O)OCCC#Cc3ccccc3)c(C)[nH]2)c1 95450781 QGBGTWPSZRFZDE-UHFFFAOYSA-N 360.413 3.992 30 40 FHEB CC(C)[C@@H]1OCCC[C@H]1C/N=C(/O)Nc1cn(C)nc1-c1ccccc1 329562652 RUSLDQFDDAGPHX-LPHOPBHVSA-N 356.470 3.864 30 40 FHEB C=CCN(c1ccc(C(=O)N[C@@H](C)CC)cc1)S(=O)(=O)c1ccccc1 224367731 RMDUHGQNLOSALN-INIZCTEOSA-N 372.490 3.596 30 40 FHEB C=CCc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)ccc1OC 44872160 KUHFDJNUGUPMRY-UHFFFAOYSA-N 364.489 3.950 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 14022779 ZDKBLIIPZWDQEC-IBGZPJMESA-N 352.434 3.707 30 40 FHEB CCOc1cccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c1O 15745911 WHMDWKFOCQGEIW-HAHDFKILSA-N 367.493 3.559 30 40 FHEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1O 16194979 IOBCYWIQTKLRLD-GHXNOFRVSA-N 374.190 3.508 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccccn2)cc1 17429167 KQKRLPKEZCTVEE-KGENOOAVSA-N 351.431 3.941 30 40 FHEB C=CCN1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19530057 VJZHJOLFHNJUOK-GHTZIAJQSA-N 374.456 3.540 30 40 FHEB N#Cc1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 226361680 YNZHBBCZCPCKIA-UHFFFAOYSA-N 370.162 3.872 30 40 FHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Oc3cc4c(cc32)OCO4)cc1 1589565 MDWGLQDZZVZKKO-FQEVSTJZSA-N 350.370 3.955 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccn2)cc1 6244983 MZQRNYHSHUAXBK-GOSISDBHSA-N 350.418 3.624 30 40 FHEB CCO/C(O)=C1\C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 102437606 ZDXMNKRPGNDGCI-XUMLYMLNSA-N 355.365 3.597 30 40 FHEB N#Cc1cnc(S)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=N 103055922 DZPGCZAJYOGFLR-UHFFFAOYSA-N 364.274 3.550 30 40 FHEB N#C[C@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(O)c2C12CCCCC2 1439893 OWNFXTPKNHAQEC-ZDUSSCGKSA-N 366.442 3.978 30 40 FHEB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC/C2=N\O 100208855 GZRIWWRGSMQCLV-DEDYPNTBSA-N 358.419 3.692 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C1=O 6215201 WPWRAAGHMKXNOJ-UHFFFAOYSA-N 354.793 3.683 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCO2 409406385 QIQFZMMTQNGNMC-UHFFFAOYSA-N 369.380 3.674 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 4919760 HCYZQVUXZBTUHD-DJKKODMXSA-N 364.785 3.510 30 40 FHEB N#Cc1cccnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 9189576 RNHWPYCISAXXIG-UHFFFAOYSA-N 373.437 3.915 30 40 FHEB CC(C)=C[C@@H]1[C@@H](/C(O)=N/S(=O)(=O)c2cccc3nsnc23)C1(C)C 71808807 HNLRTLJMQIIPHU-MFKMUULPSA-N 365.480 3.575 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cn4)[nH]c3c2)nc1 79074269 MNDDDUHIHHYXEP-UHFFFAOYSA-N 374.791 3.797 30 40 FHEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cn1 585295226 QUJISAPOCNPTHQ-FQEVSTJZSA-N 356.433 3.824 30 40 FHEB CS/C(=N\C#N)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12953090 OCGXRDYXRWXMFO-XDOYNYLZSA-N 350.491 3.594 30 40 FHEB COc1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 16957348 XRSINPISRKXUKH-AXPXABNXSA-N 364.465 3.830 30 40 FHEB Ic1ccccc1/C=N/Nc1nc2ccccc2[nH]1 4864343 XENLEJWKKHTVLF-CXUHLZMHSA-N 362.174 3.614 30 40 FHEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063580 KUYYTEAUXOVOLY-UHFFFAOYSA-N 351.425 3.742 30 40 FHEB CC1(/N=C\c2cc(Cl)ccc2O)COP(=O)(NC2CCCC2)OC1 101852885 IPGHKJZVQFQHKF-NVMNQCDNSA-N 372.789 3.910 30 40 FHEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118927215 YVDQADLLUPNXKI-KCQXYEKNSA-N 364.432 3.943 30 40 FHEB C[C@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2F)CC1(Cl)Cl 3281232 LKWTYIXYLMCCJP-CQSZACIVSA-N 374.268 3.531 30 40 FHEB C=CCn1c(C)cc(-c2csc(NC(=O)[C@@H](NC(C)=O)C(C)C)n2)c1C 12763698 SVESOAUQUZSWND-KRWDZBQOSA-N 374.510 3.514 30 40 FHEB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 13002154 CNUQPVZDZLJJGF-HXUWFJFHSA-N 350.418 3.699 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1ccc2ccccc2c1 7779238 QSNHOSMDACULNY-FQEVSTJZSA-N 370.474 3.530 30 40 FHEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 409045196 HZWSNZHJFSDUNV-JXAWBTAJSA-N 350.443 3.856 30 40 FHEB CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cn2)CC1 95468934 CHKQPZSDYFDWST-KRWDZBQOSA-N 373.460 3.695 30 40 FHEB Cc1nnc(S)n1/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 75280123 HAMNXMSPNHBLRS-UFFVCSGVSA-N 365.437 3.900 30 40 FHEB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N(C)C3(C#N)CCCCC3)ccc12 8735103 HBDKFMKCBZWWSF-HNNXBMFYSA-N 368.433 3.554 30 40 FHEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(Cl)cc1)=C2 40312926 NMGSGTQQBYZAIN-UHFFFAOYSA-N 371.820 3.789 30 40 FHEB biogenic N#Cc1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 95081275 VYNWSHLQKKESMT-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 5921640 QXYLFNQJVNBURI-MRXNPFEDSA-N 357.793 3.605 30 40 FHEB C(=N\Nc1nc2nonc2nc1Nc1ccccc1)\c1c[nH]c2ccccc12 168631498 IMZKSMDZVAMAHU-NHDPSOOVSA-N 370.376 3.684 30 40 FHEB Cc1csc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1 24284862 JSXHPICBTGMVJR-UHFFFAOYSA-N 372.397 3.776 30 40 FHEB CCCCCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 3081987 MLJVVSRVYWNBLJ-UHFFFAOYSA-N 374.506 3.730 30 40 FHEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC 100177120 NGWBXNKZVBQWIZ-ZBBYCGENSA-N 361.511 3.915 30 40 FHEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 8744569 QJUZYNWSNCHYJJ-KBPBESRZSA-N 360.483 3.511 30 40 FHEB COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C(C)C)cc1 11097024 WTOJGZLBZIDWMW-FOIQADDNSA-N 351.450 3.881 30 40 FHEB CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc1 62957630 SAPJAOKMGBIQDN-MOSHPQCFSA-N 366.461 3.916 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 5130428 QDNBQTKHCDXPHV-LLVKDONJSA-N 362.886 3.544 30 40 FHEB C[C@H](c1ccccc1)S(=O)(=O)/N=C(\O)C[C@@H]1OCCc2ccccc21 77881242 GUQIYKFOIJLLKV-KDOFPFPSSA-N 359.447 3.738 30 40 FHEB N#Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(C#N)c2)cc1 14199576 MLFBZEMLHBRHGZ-UHFFFAOYSA-N 373.437 3.825 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8743663 XOMIKTJMVYGCFX-MLCYQJTMSA-N 368.343 3.565 30 40 FHEB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 8130939 MQYABUDAACPFIB-AWEZNQCLSA-N 355.413 3.555 30 40 FHEB C#CCOc1ccc(Cl)cc1/C=N/n1c(S)nnc1-c1ccccc1 409061502 DNNKRTCJAVFUSV-UDWIEESQSA-N 368.849 3.781 30 40 FHEB Cc1sc(NC(=O)CCc2nc(-c3cccs3)no2)c(C#N)c1C 39994118 ZFOXTKGMHNBXJB-UHFFFAOYSA-N 358.448 3.919 30 40 FHEB N#Cc1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1Cl 40103381 NSMRAYMDXPOKJL-OAHLLOKOSA-N 350.205 3.720 30 40 FHEB CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc([C@H]3CCOC3)c2)cn1 330338090 UXUGGBFMFJATFC-YSIASYRMSA-N 369.465 3.632 30 40 FHEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)C1 20533453 AZCLLDBMUXTTLW-TYHHXOOKSA-N 364.445 3.881 30 40 FHEB COc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)ccc1OCC(=O)O 40139733 REBVKKOEAXEEJG-UXBLZVDNSA-N 370.401 3.842 30 40 FHEB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 58004234 GSBGLDCWKHWSQC-UHFFFAOYSA-N 356.809 3.578 30 40 FHEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1c(Cl)cccc1Cl 27525673 GUMZZSXWZBBDJM-KEBDBYFISA-N 359.216 3.803 30 40 FHEB COc1ccc([C@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1 27793576 RLBUDOFMPZLAFQ-IBGZPJMESA-N 362.433 3.937 30 40 FHEB N#CC1(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)CCCCC1 5362100 UNFXODSGEZFIQV-UHFFFAOYSA-N 360.479 3.516 30 40 FHEB N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 96004132 WVKVGXUWSWGIPU-XHDPSFHLSA-N 363.343 3.705 30 40 FHEB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C#N)c1 7689132 VIICIYCUXBXSNL-UHFFFAOYSA-N 364.323 3.855 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4cc(Cl)ccc4C)CC3=O)[nH]c2c1 7995052 MFAVOAHEQZGSIH-UHFFFAOYSA-N 352.825 3.550 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(C)cc2)C(=O)N(c2ccccc2)C1=S 408730324 PSHVOVKJMNKROA-NBVRZTHBSA-N 362.454 3.725 30 40 FHEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1cccs1 225141749 XHEYYDYBULAMMX-UHFFFAOYSA-N 365.476 3.615 30 40 FHEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)c1 5376454 ZNRYJNZDVYRGED-BOPFTXTBSA-N 370.430 3.604 30 40 FHEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 208788171 JKUHIOZKUHEMIM-XMHGGMMESA-N 360.413 3.903 30 40 FHEB COc1ccc(Oc2ccc(-c3nc(N)c(C#N)c(C#N)c3C#N)cc2)cc1 20405353 QSTYDKIQNGVXBQ-UHFFFAOYSA-N 367.368 3.747 30 40 FHEB O=S(=O)(c1ccccc1)N(C[C@@H]1CO1)c1cc(Cl)ccc1Cl 864103 IPVUIJQKXFOMCB-GFCCVEGCSA-N 358.246 3.588 30 40 FHEB COc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1 917568 DPIQNLQVBXACBC-DYVFJYSZSA-N 369.490 3.902 30 40 FHEB O=[N+]([O-])c1cc(/C=N\c2cccc(I)c2)ccc1O 408905118 TYIQWDJZNVDHGX-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C2CC2)nc(C)c1C#N 12919350 NOHRNZDQIMWNAS-LBPRGKRZSA-N 368.462 3.662 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1C1CCCCC1 4577405 SSRCVMJJMNARSB-KFBYJWCXSA-N 360.479 3.939 30 40 FHEB COc1ccc2cc(CNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2c1 9939666 DWCBXTZRXFCYRP-OAHLLOKOSA-N 360.413 3.804 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1ccccc1 409342883 CHHBCLUQCYBMTN-UHFFFAOYSA-N 371.396 3.563 30 40 FHEB COc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409134396 OKTQWPKIHHCLEU-GDNBJRDFSA-N 372.833 3.749 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2ccc(OC)cc2)s1 223350732 MIQWFKKSSBJILI-UHFFFAOYSA-N 367.521 3.697 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)s1 223552804 FBMYLPMEWSTYDG-CYBMUJFWSA-N 365.480 3.621 30 40 FHEB CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385284 DAGBMAQCSSCBBT-HYARGMPZSA-N 358.401 3.605 30 40 FHEB O=[N+]([O-])c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1473713 QMWWNZPKPBLVOL-MFOYZWKCSA-N 359.798 3.678 30 40 FHEB C#CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21 101022410 QVYSYUHAFIZNFQ-VXPUYCOJSA-N 370.499 3.551 30 40 FHEB Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N 32898775 INQHXZWNSMRIHB-UHFFFAOYSA-N 370.840 3.982 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8477534 RVPBTTPGSGNOCF-MRXNPFEDSA-N 352.434 3.625 30 40 FHEB CCOC(=O)c1sc(NC(=O)c2ccc(OCC)cc2)c(C#N)c1C 995665 BAQBJOXXVNYGBH-UHFFFAOYSA-N 358.419 3.756 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N(C)Cc2ccnn2C)o1 28236783 VDVPXLNFNYJBQW-UHFFFAOYSA-N 365.433 3.593 30 40 FHEB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SCC#N)c1 24397454 NRZRQGDJWHXDQY-CYBMUJFWSA-N 356.447 3.810 30 40 FHEB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2n1CCC#N 12634494 IPWPSRGABBUKQT-UHFFFAOYSA-N 370.503 3.762 30 40 FHEB Cc1nc(C)c(-c2nnc(SCCOc3cccc(C#N)c3)o2)s1 48365958 XFKBTVXXZNUVRH-UHFFFAOYSA-N 358.448 3.853 30 40 FHEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(N(C)c3ccccc3)cc2)C1=O 3528170 YITLSSJMSSKGRA-DOAWATSRSA-N 350.422 3.509 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 8554496 CCXBARUZQRFUMM-UHFFFAOYSA-N 360.413 3.773 30 40 FHEB Cc1c(C#N)c(NC(=O)COc2ccccc2C#N)n(Cc2ccco2)c1C 5273371 DTXRLHSLKMAEFZ-UHFFFAOYSA-N 374.400 3.507 30 40 FHEB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 6436822 MUTGEXRGIAWFEU-ZDUSSCGKSA-N 354.431 3.839 30 40 FHEB COCCN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O 409034359 HJWGASXRVBPTJS-UHFFFAOYSA-N 351.446 3.746 30 40 FHEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Nc3c(F)cccc3F)C2)c1 1775971479 PJSKQACCYNCFOH-AWEZNQCLSA-N 372.375 3.554 30 40 FHEB COc1ccc(C)cc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 5006542 LZRCRFQBMUBLJT-YBEGLDIGSA-N 368.414 3.593 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5270452 OTDNNQDPFNZFTC-QVKFZJNVSA-N 372.428 3.708 30 40 FHEB CCCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 13125225 SKAIHRKSQHDYOZ-IBGZPJMESA-N 370.453 3.734 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 5376837 JWAIBJHMJHRPEQ-WJDWOHSUSA-N 368.414 3.675 30 40 FHEB Cc1nc(C2CC2)nc(OCC2CCN(c3ccc(C#N)cn3)CC2)c1C 2086861468 SACWHMJCRRVZKY-UHFFFAOYSA-N 363.465 3.533 30 40 FHEB COc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 103483195 RBJSQMCIWLAEDN-OAHLLOKOSA-N 362.385 3.699 30 40 FHEB CCc1cc(/C(Cc2nnc(-c3ccccc3)s2)=N\O)c(O)cc1O 105835857 KFSRTMJQAHCBFP-STZFKDTASA-N 355.419 3.600 30 40 FHEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(F)cc2)cc1 100413557 MBZYNBOJZFFAGN-CIAFOILYSA-N 355.394 3.772 30 40 FHEB Cc1ccc(SCC(=O)OCC(=O)Nc2sccc2C#N)c(C)c1 5418171 GYYGAXOXFUGXBM-UHFFFAOYSA-N 360.460 3.511 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccco1 96336101 TWVHAYVMYNHOJY-AWEZNQCLSA-N 370.361 3.658 30 40 FHEB C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 95995143 LDGFGKDMEWVHOP-WIYYLYMNSA-N 364.489 3.892 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(F)c1 409214669 ZNNCRYPNOJXGBO-UHFFFAOYSA-N 367.163 3.800 30 40 FHEB CN(C)Cc1cc(C(=O)/C=C\c2ccc(F)cc2)cc(CN(C)C)c1O 31870599 FRKYDPHCHJZHHI-YFHOEESVSA-N 356.441 3.551 30 40 FHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C)o1 5923933 GNZLCANYRUZGKN-HNNXBMFYSA-N 371.462 3.738 30 40 FHEB C[C@]12C[C](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 1560405202 MLFOTSFIYZAKAG-PIJLBNDASA-N 355.454 3.884 30 40 FHEB COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 4150696 SSWMGFVMYCIRJD-DJKKODMXSA-N 357.391 3.872 30 40 FHEB Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)c(C#N)c1C 27928903 MLMYZJYNMNLWHC-UHFFFAOYSA-N 371.281 3.800 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OC)S2)cc1 6870436 NWGPDYPNGUBBSY-ATVHPVEESA-N 354.431 3.986 30 40 FHEB O=C(NCC#Cc1ccccc1)NCCCCOc1ccc(Cl)cc1 32802829 KWZAFGQVMFHLDK-UHFFFAOYSA-N 356.853 3.850 30 40 FHEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N(C)CCC#N 7987819 DIZLYIATYHMRMC-UHFFFAOYSA-N 374.897 3.854 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118916948 VDYLVWGBLQNNAW-XNFMTUAMSA-N 361.482 3.767 30 40 FHEB Cc1ccc(-c2nc(CC(=O)N(CCC#N)Cc3ccco3)cs2)o1 58203076 OWRNGDDGGXUGDO-UHFFFAOYSA-N 355.419 3.790 30 40 FHEB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(C#N)cc1 14122483 FNVAGAKKVPJVGA-ZDUSSCGKSA-N 350.447 3.799 30 40 FHEB N#CC1(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)CCCC1 14141754 PANDDZMPOTUJED-GOSISDBHSA-N 357.454 3.519 30 40 FHEB O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1c(O)ccc2ccccc12 5518281 MJMRGWGLYFAOTM-BOPFTXTBSA-N 360.325 3.798 30 40 FHEB N#Cc1ccc(Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 4708695 SGAMJBBYYGNCFS-UHFFFAOYSA-N 371.440 3.756 30 40 FHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1 5917674 UQLSFZUFWVERNB-SFHVURJKSA-N 351.402 3.685 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409133835 QPORHYKQHPYXHE-SFQUDFHCSA-N 368.820 3.998 30 40 FHEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccsc2c1=O 9113822 UNEXOPBFAXJYMF-UHFFFAOYSA-N 373.503 3.574 30 40 FHEB C=C(C)CSc1nnc(SCC(=O)N(C)Cc2ccc(C)o2)s1 32745180 FQNHNLJINDJLKS-UHFFFAOYSA-N 369.537 3.858 30 40 FHEB Cc1cc(C)cc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1 4192850 PZWBIUGOVIMMKQ-UHFFFAOYSA-N 365.458 3.820 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718231 KFIYNNXMMFWEDA-QGZVFWFLSA-N 364.445 3.860 30 40 FHEB Cc1ccc(N2CSc3nc(-c4ccccc4)c(C#N)c(=O)n3C2)cc1C 12250609 VHNSPBKBLNXQTL-UHFFFAOYSA-N 374.469 3.926 30 40 FHEB Cc1ccc(N2C(=O)C[C@@H](/C(O)=N/c3ncn[nH]3)[C@H]2c2cccs2)cc1 23141098 AFJHKUXJNWUGHS-CJNGLKHVSA-N 367.434 3.557 30 40 FHEB COc1ccc(-n2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)n2)cc1 25183568 VYUOCOYABFZLFQ-UHFFFAOYSA-N 373.460 3.607 30 40 FHEB C[C@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N 3252733 NWFCOEBKVHSZFR-CQSZACIVSA-N 363.486 3.830 30 40 FHEB Cc1ccc(C(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 24986608 AUYHEHRWSXKMQY-UHFFFAOYSA-N 374.465 3.825 30 40 FHEB C=C(C)CSc1nnc(SCC(=O)NCc2ccc(C)cc2)s1 12848309 SSCUUEMJGJFIEC-UHFFFAOYSA-N 365.549 3.923 30 40 FHEB CC(C)n1ncc2cc(NC(=O)c3ccccc3SCC#N)cnc21 12977726 IMFMTUPKWAUECY-UHFFFAOYSA-N 351.435 3.880 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 4574940 WNHANOPIIIHNGB-MRXNPFEDSA-N 350.418 3.551 30 40 FHEB C#CCN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1 14249988 YEWINHCUAFYTEC-UHFFFAOYSA-N 368.531 3.792 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccnc3)c2)c1 24925565 SWQOQMQTBHHWJQ-UHFFFAOYSA-N 356.381 3.520 30 40 FHEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@@H](C)C(=O)O 5880844 IWMFBNHAWNXIBA-MTUBTWAWSA-N 356.399 3.877 30 40 FHEB Cc1csc(N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)n1 409059350 MPKYPVHTDFRTMR-WOJGMQOQSA-N 373.459 3.665 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898110 GOBRYYYVULIYOP-AWBCAMRRSA-N 370.474 3.740 30 40 FHEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Br)c1 40288007 YOEULHIWZZXHGB-MRXNPFEDSA-N 369.222 3.539 30 40 FHEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1C1CC1 225894110 VRNDYCYEFWIWBX-UHFFFAOYSA-N 361.268 3.863 30 40 FHEB C=CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 5003291 NNZCSIKMFQEAST-UHFFFAOYSA-N 357.365 3.983 30 40 FHEB CC(=O)c1nn(-c2ccc(F)cc2)/c(=N/N=C/c2ccc(C)cc2)s1 5745184 MWUSRPNOCLYZJE-HVFCYKRDSA-N 354.410 3.519 30 40 FHEB COc1ccc(N2C(=O)CS/C2=N\C(=S)Nc2ccccc2)cc1 17917989 YQBOSQKYCQDIBO-ZPHPHTNESA-N 357.460 3.528 30 40 FHEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)cc1 1354215 UUGHMCVCWRCTMX-UHFFFAOYSA-N 362.364 3.551 30 40 FHEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 3999054 OUCQPFCLFGZBQQ-NJDAHSKKSA-N 353.418 3.678 30 40 FHEB COc1ccc(CO/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F 32957851 MAAHAVCBIMPFNC-CIAFOILYSA-N 373.384 3.893 30 40 FHEB COc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 103483194 RBJSQMCIWLAEDN-HNNXBMFYSA-N 362.385 3.699 30 40 FHEB COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 784682 UVPNLWBTUMDWCE-UHFFFAOYSA-N 356.447 3.915 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](C)OCc2ccccc2)n1 48356079 OELHJIOUFGCUKB-CYBMUJFWSA-N 352.394 3.674 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 3901703 YROCQRKDIPKBCT-HXUWFJFHSA-N 351.446 3.946 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 6566668 KOTKSHDFJXYZQY-UHFFFAOYSA-N 373.507 3.885 30 40 FHEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl 14408388 JTBMMMXBUMFWHF-CQSZACIVSA-N 368.868 3.700 30 40 FHEB S=C(N/N=C/C(Br)=C\c1ccccc1)Nc1cccnc1 4890590 RVIBKVOLBCJGKJ-BUHHDHKDSA-N 361.268 3.790 30 40 FHEB O=C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218665670 URYFTYXVERRCHJ-PMPSAXMXSA-N 355.242 3.748 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(C)cc2)cc1 225887402 MDWVXCUQGDJCHW-UHFFFAOYSA-N 361.401 3.878 30 40 FHEB CC1(C)OB([C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)OC1(C)C 1776007468 FJFGFVRYKGKNAD-KRWDZBQOSA-N 366.270 3.550 30 40 FHEB COc1cc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)ccc1OC(C)=O 1478511 QNLDZPSAJWBOTF-ODLFYWEKSA-N 374.466 3.804 30 40 FHEB COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1O 6215410 ZRFZGTOJHCIEOM-LICLKQGHSA-N 354.431 3.909 30 40 FHEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)C 4399742 HWBAHSWPYPPHEV-LJQANCHMSA-N 365.429 3.930 30 40 FHEB Cc1ccc2nc(SCC(=O)N(CCC#N)c3ccccc3)[nH]c2c1 6506490 LQYBEZOJTOPKAF-UHFFFAOYSA-N 350.447 3.910 30 40 FHEB CCN(/N=C/c1ccc(NC(C)=O)cc1)c1cc(C)c(C#N)c(Cl)n1 12411815 RBUVRMQUVZADBZ-SRZZPIQSSA-N 355.829 3.734 30 40 FHEB O=S(=O)(/N=C(\O)c1ccc(OCC2CCCCC2)cc1)c1cccnc1 66002937 BACJGZHVUNRGOY-UHFFFAOYSA-N 374.462 3.734 30 40 FHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 5558020 ZYXJLRFCQPKQBB-NIPZQEADSA-N 368.414 3.627 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 19287930 KPGJUGFNXQDRLZ-GOSISDBHSA-N 355.434 3.616 30 40 FHEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccccc2)c(C)cc1OC 409056163 FKBYPGGCMNFLIO-UDWIEESQSA-N 368.462 3.832 30 40 FHEB C#CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 408613152 XRBVISAQMZVNGK-UHFFFAOYSA-N 361.195 3.981 30 40 FHEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889002 TXHZICILFPIRQU-UHFFFAOYSA-N 358.463 3.589 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(Br)cc1 95628195 REHATYIJSZJCCC-CYVLTUHYSA-N 357.211 3.640 30 40 FHEB COc1ccc2c(c1)[C@H](C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)CC2 581465701 CSHYOICBNIVRMU-OAQYLSRUSA-N 358.441 3.913 30 40 FHEB COCCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1ccc(C#N)cc1 154433749 VDEKTRPJDRQIFN-UHFFFAOYSA-N 361.401 3.815 30 40 FHEB CN(C)c1ccc(/C=N/c2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1 1669814 WJRISLCESOLFPX-UDWIEESQSA-N 370.430 3.609 30 40 FHEB O=C1/C(=N\Nc2cccc(F)c2)C(C(F)(F)F)=NN1c1ccccc1 8336971 KAQHDBWRSGMWRN-XKZIYDEJSA-N 350.275 3.559 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 13583287 CQRVAOVGELNQBP-RDYJYZNMSA-N 353.447 3.549 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 6870648 RGQUBMBGMHAZDW-WJDWOHSUSA-N 369.402 3.885 30 40 FHEB C[C@@H](Sc1nncs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16865797 LAACGQGFVOLQKK-SECBINFHSA-N 364.521 3.859 30 40 FHEB CC(C)(C)C(=O)N1CCC(=NOCc2coc(-c3ccccc3)n2)CC1 54209157 ZBAGHNJGOSYCQQ-UHFFFAOYSA-N 355.438 3.883 30 40 FHEB Cc1ccccc1CN1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 27389275 VEPORTAAMJLBFK-UHFFFAOYSA-N 361.489 3.534 30 40 FHEB CCOC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 10213947 OMEFJRNGSYJORD-UHFFFAOYSA-N 363.373 3.679 30 40 FHEB CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)n1 12894599 MSYHZNDSHNRSQZ-CQSZACIVSA-N 354.479 3.955 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4cccc(Cl)c4C)CC3=O)[nH]c2c1 5182820 VTTCCDQFJDRDDT-UHFFFAOYSA-N 352.825 3.550 30 40 FHEB O=C(O)c1cc(/N=C\c2ccc(N3CCOCC3)c(F)c2)ccc1Cl 409133047 MDMUIJDBJBEFBM-NHDPSOOVSA-N 362.788 3.765 30 40 FHEB C=CCOC(=O)c1sc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2c1C 6550572 RKSLEUUBPYZRAX-UHFFFAOYSA-N 374.849 3.880 30 40 FHEB C=CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1C 5670026 KSLXVWYPTSZVGP-UHFFFAOYSA-N 359.402 3.727 30 40 FHEB COc1ccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)cc1 6719169 SMPARZVTDRUCFP-KRWDZBQOSA-N 355.463 3.767 30 40 FHEB C[C@H](OC(=O)c1cccc2cccnc12)C(=O)N(CCC#N)c1ccccc1 83888368 JTHBKIVLLXWBQZ-INIZCTEOSA-N 373.412 3.727 30 40 FHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccccc2O)S1 408879645 CDCIBEAKXPTKIL-NVNXTCNLSA-N 360.822 3.946 30 40 FHEB COc1ccccc1CN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084869 PIIQPMWWGVBSTI-RGEXLXHISA-N 351.189 3.727 30 40 FHEB Cc1nc(N2CCC[C@H](COc3ccncc3)C2)c(C#N)c(C)c1Cl 1889109996 SVUBFPAZOYOKSU-HNNXBMFYSA-N 356.857 3.914 30 40 FHEB N#Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620666 OQOKUNSRWFJYFK-UHFFFAOYSA-N 354.841 3.862 30 40 FHEB CCCCCCCCOC(=O)[C@@H](O)[C@@H](O)C(=O)OCCCCCCCC 101342141 LSFNVBFEFPZYFU-HDICACEKSA-N 374.518 3.516 30 40 FHEB COc1cc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)ccc1OC(F)F 12915474 JBLOHDHKTNQGSK-ZSOIEALJSA-N 370.311 3.513 30 40 FHEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccco2)n(C2CCCC2)c1C 8751898 ZUQSZADWBPNOBS-UHFFFAOYSA-N 354.454 3.755 30 40 FHEB O=[N+]([O-])c1cc(O)c(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl 4869187 UGLPAAXNNULGED-YBFXNURJSA-N 361.785 3.541 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2C#N)C1 7989208 LRLCUUDESWFWKD-BDJLRTHQSA-N 366.442 3.985 30 40 FHEB Cc1ccc(-c2nc(C)c(C(=O)N[C@@]3(C#N)CCSC3)s2)c(C)c1 69118752 ALCOIJJLFPJZNH-GOSISDBHSA-N 357.504 3.864 30 40 FHEB N#Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 78758190 WYVIJGMIBKKDGL-HOTGVXAUSA-N 373.225 3.880 30 40 FHEB COc1ccc(/C=N\NC(=S)Nc2cccc3cccnc23)cc1OC 33634337 GVZRYYSZXTUHSK-MTJSOVHGSA-N 366.446 3.573 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224998532 OJFMPWDBPRJRPP-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB CCOc1cccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)c1 136636139 MSJLPSJZSOHBQO-OCLZBJRFSA-N 359.476 3.917 30 40 FHEB C=CCOc1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225730880 XXXCBVHMBLNLBU-IAGOWNOFSA-N 361.555 3.906 30 40 FHEB OC(CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)=Nc1ccc(Cl)cn1 329078922 QQKFKAMBQNOYIB-FGTMMUONSA-N 371.868 3.828 30 40 FHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 13424073 FLAGIZNIHPOYMH-VFOOBRQFSA-N 371.437 3.806 30 40 FHEB Cc1nn(C)c(Cl)c1/C=C/C(=O)O/N=C(\N)c1ccc(C(C)(C)C)cc1 4284823 QSVXHVBLAGVREF-ZHACJKMWSA-N 374.872 3.556 30 40 FHEB CSc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 2649796 XLHXYJFYLTZLPQ-UHFFFAOYSA-N 371.531 3.901 30 40 FHEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 7781076 USRRQNBRFVKJNW-UHFFFAOYSA-N 363.417 3.882 30 40 FHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 985766 AGBUVBDNPMTXRT-NSHDSACASA-N 355.488 3.871 30 40 FHEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccnc2)C(=O)C1 100004484 FTGCYVFTMWERHW-SFHVURJKSA-N 369.461 3.941 30 40 FHEB Sc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 3322413 SPZWEDWGVZHFLC-VXLYETTFSA-N 372.837 3.541 30 40 FHEB N#Cc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 6376326 GFOVYGXUXAGLTJ-UHFFFAOYSA-N 361.401 3.544 30 40 FHEB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4488232 NMEDTCYMUVXYCB-YJYMSZOUSA-N 364.380 3.734 30 40 FHEB CC(=O)Nc1s/c(=N\N=C/c2ccc(O)cc2)[nH]c1-c1ccc(C)cc1 73250334 HYMGLVAWFCAYOC-JAIQZWGSSA-N 366.446 3.650 30 40 FHEB CC/C(=N\NCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1OC 216057733 GLDIGDYZWYTQKL-OQKWZONESA-N 358.438 3.625 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(C)(=O)=O 33699312 MRJWACBQESTAIE-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB N#C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225643452 JNOQANVBTQBXFA-ARFHVFGLSA-N 362.248 3.529 30 40 FHEB CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 47534131 UMNWUULZMDRNCB-LBPRGKRZSA-N 367.478 3.627 30 40 FHEB CC[C@@H](C)n1ncc(N=C(O)N2CCCN3c4ccccc4C[C@H]3C2)c1C 329816479 FLEHMNIFRGUWJS-QAPCUYQASA-N 367.497 3.845 30 40 FHEB C=CCN(C(c1ccccc1)c1ccccc1)[C@]1(C)CCS(=O)(=O)C1 575420709 JIHVXCOGFNXLMS-OAQYLSRUSA-N 355.503 3.841 30 40 FHEB COc1ccc(/N=C2\SCC(=O)N2CCc2c[nH]c3ccccc23)cc1 1100143 CXTDCWMCMDBADN-XDOYNYLZSA-N 365.458 3.982 30 40 FHEB O=C(/C=C\N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl 16478687 HIPFASFKDLLJMG-QWGSZXSUSA-N 364.228 3.975 30 40 FHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2csc3ccccc23)CC1 40155762 XWWKFKPEGCDZLH-UHFFFAOYSA-N 364.474 3.961 30 40 FHEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 103286460 PXCLZNVMYVTSGW-FNORWQNLSA-N 373.361 3.525 30 40 FHEB CCCCCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 105677360 GXADJHRPJHQJHG-UHFFFAOYSA-N 352.906 3.866 30 40 FHEB N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 58215136 KOKSCUVYLDEBHT-UHFFFAOYSA-N 360.797 3.650 30 40 FHEB CCOc1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cn1)OCO2 409108483 UMYBOQYSPKDBQP-QPSGOUHRSA-N 353.300 3.674 30 40 FHEB CCCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 44699421 MQLQZGCILBTUPB-QHCPKHFHSA-N 371.521 3.733 30 40 FHEB in-vitro CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO[C@@H](O)[C@@H](C)O 263583518 GNLNRQZETOCIRZ-YMENAJNUSA-N 373.578 3.648 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 5362361 PPVHEIVZMIDJOU-UHFFFAOYSA-N 354.431 3.684 30 40 FHEB COc1cc(C(=O)O/N=C2\CCSc3ccccc32)cc(OC)c1OC 5661101 NALAOYXZTYMOSO-XSFVSMFZSA-N 373.430 3.769 30 40 FHEB CC(=N/Nc1ccccc1[N+](=O)[O-])/C(C)=N/Nc1ccccc1[N+](=O)[O-] 16136662 INVVCOQOVJRZOA-MJZABRMRSA-N 356.342 3.779 30 40 FHEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269335 DUZSUZFIOYHIKJ-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB N#Cc1ncoc1N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 26770282 DOEBCKOPFBKWHV-UFFVCSGVSA-N 360.402 3.906 30 40 FHEB CCn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccoc1C 11877659 RHJCCDNTSVXPGB-UHFFFAOYSA-N 354.435 3.909 30 40 FHEB CCN(CCC#N)c1ccc(CN[C@H](C)[C@H](O)c2ccc(O)cc2)c(C)c1 8747048 ZFCFQLJCPKEUQI-VGSWGCGISA-N 367.493 3.652 30 40 FHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C(=O)O1 24061325 LDEFMJOLKUUEPU-GBXSZLQWSA-N 356.321 3.527 30 40 FHEB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C#N)cc1OC 8150717 RECOQEZKAHGKDD-UHFFFAOYSA-N 360.797 3.555 30 40 FHEB C=CCN(CCc1ccccc1)C(=O)CCc1nnc(-c2ccsc2)o1 58192841 VBOLPCKFYBKJDY-UHFFFAOYSA-N 367.474 3.988 30 40 FHEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1cccc(F)c1 408962717 JQLASVDCZWYYFU-ZBXSNYTOSA-N 373.365 3.673 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1 4681070 CFBXBHSLPFQBCC-OQLLNIDSSA-N 360.822 3.946 30 40 FHEB COCc1cc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC 7352145 VSTCEIQCPWWFIS-SOFGYWHQSA-N 372.417 3.764 30 40 FHEB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1OC 20452787 ZDCHHBRJCFZART-ZDUSSCGKSA-N 356.447 3.889 30 40 FHEB Cc1c(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cccc1C(=O)O 409186822 IHPOYXUQTDZEFI-SRZZPIQSSA-N 355.390 3.774 30 40 FHEB CC1(C)CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 40288637 FNZNQMPYMHYTSI-UXTOGGPVSA-N 361.526 3.635 30 40 FHEB biogenic COc1ccc(Cn2nc(OCc3ccc(C)c(C)c3)c(C#N)c2N)cc1 225848211 WRRYZXOFKPSXKL-UHFFFAOYSA-N 362.433 3.590 30 40 FHEB CCN(CC)CCn1c2ccccc2c2cnc(/N=C/N(C)C)c(C#N)c21 4082825 FSSPFNPJPNQALE-BUVRLJJBSA-N 362.481 3.624 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3F)NC2=O)ccc1O 5997001 SSKFKPDWOYUVAW-MHWRWJLKSA-N 358.394 3.822 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(OC)cc2)S1 12032389 GNSJPYAMKHPRDK-SFQUDFHCSA-N 354.431 3.986 30 40 FHEB C/C(=N\N=c1/scc(C)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 6479675 OOOAOSOQBGACQF-WOZMVSLESA-N 356.407 3.732 30 40 FHEB C/C(NC[C@H](C)N/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749147 JZBTZADGBMEUIM-GQGBVCTRSA-N 370.537 3.592 30 40 FHEB biogenic C=CCn1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 857523 VJMFTFLOJRZRGJ-UHFFFAOYSA-N 351.402 3.971 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C#N)c1C 871987 VTCOKNWWIQRJJB-UHFFFAOYSA-N 371.462 3.671 30 40 FHEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2C)n1 7977611 LGZLPVNSIRALNI-CYBMUJFWSA-N 354.387 3.539 30 40 FHEB C[C@]12C/C(=C\O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]3C/C(=C\O)C(=O)O[C@]3(C)CC[C@H]12 104052864 GVQAFQYHTSGAPN-VNZKEPJISA-N 360.450 3.997 30 40 FHEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347504 RPQLNUCFPVDNBT-HNNXBMFYSA-N 353.422 3.715 30 40 FHEB C=CCc1cc(/C=N/c2ccccc2S)cc(OC)c1OCC(=O)O 59302658 JELGCWJQHKAJCG-RGVLZGJSSA-N 357.431 3.926 30 40 FHEB N#Cc1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCCC2 35500519 JOZMYFRHXYUQDU-UHFFFAOYSA-N 365.502 3.885 30 40 FHEB COc1ccc(CNc2oc(COc3ccccc3F)nc2C#N)cc1 2349318 AGFHYFTYONXGDX-UHFFFAOYSA-N 353.353 3.885 30 40 FHEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCCc1ccccc1 5521097 ZXZYCMBFKFZTTB-DEDYPNTBSA-N 368.462 3.761 30 40 FHEB C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCC 409231258 JDHWEJKVEUCIIW-FOWTUZBSSA-N 358.438 3.515 30 40 FHEB CSc1nc(NCCCO)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 7995298 IHRZSGKBEOIWCR-UHFFFAOYSA-N 356.495 3.829 30 40 FHEB C=CCOc1ccc(CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 32759211 NJKNLJKYQUVYBA-UHFFFAOYSA-N 369.852 3.545 30 40 FHEB CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)c(O)c1 671788 YFKJWWZHAJLYHA-DEDYPNTBSA-N 356.495 3.867 30 40 FHEB CN(C)/C(=N\c1ccccc1)n1c(N(C)C)nc2ccccc2c1=S 1740816397 CMMDBRDIAKHTNS-CZIZESTLSA-N 351.479 3.929 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 12793245 ASLCODXNEBXSOV-SFHVURJKSA-N 372.446 3.827 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCC3 6112728 JYCAGUNQAAVLQC-VOJFVSQTSA-N 374.535 3.715 30 40 FHEB N#Cc1c(OCC(=O)N2CCCCC2)nc(C2CCCCC2)c2c1CCC2 32087629 SKMDTNOMMZZJSC-UHFFFAOYSA-N 367.493 3.881 30 40 FHEB COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 4516906 TXHQADDXKCUEHB-UHFFFAOYSA-N 364.380 3.864 30 40 FHEB Cc1sc2ncn(/N=C/c3ccccc3C(F)(F)F)c(=O)c2c1C 3353930 CULYKISDHMXJCQ-QPSGOUHRSA-N 351.353 3.976 30 40 FHEB Cc1cccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc32)c1 8725551 HDDFJCPAYUYFQP-UHFFFAOYSA-N 364.474 3.798 30 40 FHEB Cn1ccnc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 9367243 ZBMFAYWGSQVLTM-QGZVFWFLSA-N 351.341 3.541 30 40 FHEB N#Cc1ccccc1CO/N=C/c1ccc(I)cc1 408592162 LHMJQNPIZIIOTG-VCHYOVAHSA-N 362.170 3.714 30 40 FHEB N#CC1(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)CCCC1 8001058 WUDPUWWNQLCXFT-GOSISDBHSA-N 371.531 3.710 30 40 FHEB N#Cc1c(Br)cccc1NC1CCN(c2nccs2)CC1 576081306 FRYLALOHPHXTSY-UHFFFAOYSA-N 363.284 3.858 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795728 NXLXNDWEKFZPOX-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB COc1ccc(N2CCN(/C(S)=N\[C@@H](C)c3ccccc3)CC2)cc1 13556493 KKDKQBGYJWJBAA-INIZCTEOSA-N 355.507 3.864 30 40 FHEB O=[N+]([O-])c1cc(/C=N/n2cnnc2)ccc1Sc1ccc(Cl)cc1 6225722 HNMHYANXWZBGLA-UFWORHAWSA-N 359.798 3.873 30 40 FHEB N#Cc1ccccc1OC(=O)c1csc(COc2ccc(F)cc2)n1 29508450 DWPKWFBRGMELEM-UHFFFAOYSA-N 354.362 3.952 30 40 FHEB C[C@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 13573917 BYMYNKFCGAEODE-NSHDSACASA-N 353.403 3.950 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccccc2)no1 29368084 QDEIHHUPBLYVSH-ZDLGFXPLSA-N 356.447 3.874 30 40 FHEB COc1ccc(SC2=C(N(C)C(C)=O)C(=O)c3ccccc3C2=O)cc1 1722548 OLZOOANTTOJAOM-UHFFFAOYSA-N 367.426 3.556 30 40 FHEB C/C(=N\N=C1/C(=O)Nc2cc(Cl)ccc21)c1cc2ccccc2oc1=O 4701574 XGYPHJAMVBWLJK-LSHDLFTRSA-N 365.776 3.612 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1 17084620 KICODGCXMQXREA-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB C=CCNc1nc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cs1 10136853 VYQNXFGTRGZVBR-UHFFFAOYSA-N 364.295 3.794 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 10680700 IGRPJWDUCHQRRA-UHFFFAOYSA-N 354.475 3.592 30 40 FHEB C=C[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 95965022 NRBMRYAZNDYXLT-IFXJQAMLSA-N 368.864 3.598 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1 35224200 XKIRBAHQHVJJKK-ZDLGFXPLSA-N 353.294 3.604 30 40 FHEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218404146 GUVDCUXQNOJYBU-ZWKOTPCHSA-N 370.861 3.876 30 40 FHEB N#Cc1cccnc1OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 96102850 ZLXZACZIYUWRHX-UHFFFAOYSA-N 365.477 3.539 30 40 FHEB S=C(N/N=C1\C=Cc2ccccc2C1)N/N=C1\C=Cc2ccccc2C1 5052350 NVRNVDLEMWZIJG-WDAKLKSISA-N 358.470 3.702 30 40 FHEB COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 20589732 LNHLYLGXBHGTBQ-UNOMPAQXSA-N 365.429 3.921 30 40 FHEB COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O 100461531 SKHLQEYQHYUBHY-UHFFFAOYSA-N 362.429 3.884 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C#N)C1 3096997 AFUXRRZLOZKMTN-SECBINFHSA-N 361.517 3.933 30 40 FHEB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 32910826 UCNPYCLWINOWEZ-OAHLLOKOSA-N 362.385 3.925 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1C1CC1 16726378 PFQQNWGTJBDJQH-CYBMUJFWSA-N 370.478 3.663 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2ccccc21 100874267 ZNJHRABYZKZHIS-VXPUYCOJSA-N 354.431 3.647 30 40 FHEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c[nH]c3ccccc13)=C2 62001476 XSOGOONZJUPNFF-UHFFFAOYSA-N 362.429 3.897 30 40 FHEB biogenic C=CCN(C(=O)Cc1c(C)nn(C)c1C)c1nc(-c2ccccc2)cs1 11213573 MOVSOYSGWLIHSS-UHFFFAOYSA-N 366.490 3.922 30 40 FHEB C=CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409254280 WOIXXUXGNCPYQD-CPNJWEJPSA-N 357.413 3.920 30 40 FHEB C[C@@H]1C[C@@H](C)CN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 5554294 LSCGZJZKKAPTNP-KURKYZTESA-N 364.489 3.775 30 40 FHEB N/C(=N/Nc1ccc(Br)cc1Br)c1ccccc1 6664416 DRRAXKUXNODSPE-UHFFFAOYSA-N 369.060 3.944 30 40 FHEB NC(=O)Cn1cc(/C=N/c2cccc(Br)c2)c2ccccc21 409384480 CSCSYKVDYGCABN-AWQFTUOYSA-N 356.223 3.640 30 40 FHEB CCOCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 34778499 HCTZKPLQIGQRPR-XWGDGUDISA-N 364.482 3.539 30 40 FHEB in-man C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224765665 VFTRZGPRCYMXGG-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=C(C)C[C@@H]1N(c2ccc(C(C)C)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 245225644 ACBMKFRUOOYOLR-NOYKIMNZSA-N 367.445 3.516 30 40 FHEB CN(CCC#N)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923288 CMLWKNFMHCLXRY-UHFFFAOYSA-N 350.447 3.646 30 40 FHEB C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCC(C#N)CC1 58209789 LXFYVEZXGKKYIO-CYBMUJFWSA-N 364.287 3.715 30 40 FHEB C[C@H]1CN(c2ccc(CNCc3cccc(C#N)c3)cc2F)C[C@@H](C)O1 48749081 JKZKDSWOOAQSDE-IYBDPMFKSA-N 353.441 3.601 30 40 FHEB Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2ccccc2F)c1 4179335 RDVZEDTWODFZSB-KEBDBYFISA-N 363.356 3.650 30 40 FHEB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 8727418 ZUSGCHQYZRJPEG-ZDUSSCGKSA-N 369.494 3.918 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 9419222 KXBURONZTUIFQD-MFOYZWKCSA-N 358.777 3.898 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218471848 YRKGDMLBZLAJFA-HSALFYBXSA-N 373.449 3.620 30 40 FHEB C=CCN(c1ccc(C(=O)N(CC)CC)cc1)S(=O)(=O)c1ccccc1 224368222 WZZCJHRLRBIETC-UHFFFAOYSA-N 372.490 3.550 30 40 FHEB CCc1c(C)sc2nc(S[C@H](C)C#N)n(C[C@@H]3CCCO3)c(=O)c12 5571494 VUJVKGJWGCITET-PWSUYJOCSA-N 363.508 3.512 30 40 FHEB C#CCOc1cccc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c1 12188845 HMCRTSWEMFFAKB-JOCHJYFZSA-N 353.437 3.711 30 40 FHEB N#CCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 14940840 JDKNEBVSFIPCHF-UHFFFAOYSA-N 358.781 3.656 30 40 FHEB C=CCNC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C 8771746 ZNOYTSYDIQMZAJ-UHFFFAOYSA-N 350.831 3.665 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2ncc(C#N)c2N1 40288097 QGQOWAQBJSNTKD-LJQANCHMSA-N 355.401 3.682 30 40 FHEB C=CCNC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119178 RWNZQAFZBMDWKW-UHFFFAOYSA-N 368.820 3.753 30 40 FHEB C=CCOc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409366763 VWFNGBMXQSLRFW-UHFFFAOYSA-N 371.396 3.702 30 40 FHEB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 7702503 OFURCKVDXOXEHT-LJQANCHMSA-N 368.483 3.996 30 40 FHEB CCOP(=O)(OCC)[C@@H](/N=C1/C(=O)Nc2ccccc21)C(F)(F)F 16688019 JJWHCDKBXZINDL-CYBMUJFWSA-N 364.260 3.582 30 40 FHEB N#Cc1ccc(-c2ccc(OC(=O)Cn3nnc4ccccc43)cc2)cc1 21888654 CANWIAOBGPBADX-UHFFFAOYSA-N 354.369 3.576 30 40 FHEB C=CCN(c1cccc(NC(=O)c2cc(C)ccc2C)c1)S(C)(=O)=O 225052743 ZKYKJLPMWLVYNH-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB CC1(C)OB(c2cc3cccnc3n2COCC[Si](C)(C)C)OC1(C)C 953046106 SWMMKGFAEKVBEV-UHFFFAOYSA-N 374.366 3.648 30 40 FHEB C=CCNC(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888921756 VOYFTQHODGQYRU-UHFFFAOYSA-N 373.460 3.767 30 40 FHEB CC(C)CCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 10339490 KIJJPXKWFWNSTO-VLIAUNLRSA-N 366.465 3.971 30 40 FHEB C=CCn1c(SC[C@H]2CCCCO2)nc2sc(CC)cc2c1=O 3318892 BQSOLAPQSKWPCN-GFCCVEGCSA-N 350.509 3.868 30 40 FHEB CC(=O)N1CC=C(c2ccc(OCc3ccc(C#N)cc3F)cc2)CC1 11050923 WGIVJKYMUGCKHU-UHFFFAOYSA-N 350.393 3.912 30 40 FHEB CCOc1ccc2c(c1)s/c(=N/N=C/c1cccc(OC)c1OC)n2C 4703540 UEEYVQYSPDRGQB-IHBSRWQLSA-N 371.462 3.591 30 40 FHEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 7634170 AVUDCAHUELFKPP-LLVKDONJSA-N 366.874 3.554 30 40 FHEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/C=C/c1ccco1 9242593 HSOJQQIHMCCHMP-MOPJDAFUSA-N 362.418 3.764 30 40 FHEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224969679 ORYHZNRCVRLVFO-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB CC(C)c1ccc2c(c1)/C(=N/NC(=S)NCc1ccccc1)C(O)=N2 7013453 SJOCZKZWQMASSF-UHFFFAOYSA-N 352.463 3.780 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1nonc1N2 12407784 HKNNJVKAHSOFFX-ZDUSSCGKSA-N 351.193 3.962 30 40 FHEB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 40116603 PVHURDZAUPILBA-GOSISDBHSA-N 373.334 3.544 30 40 FHEB CC(C)CCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 10339492 KIJJPXKWFWNSTO-JLTOFOAXSA-N 366.465 3.971 30 40 FHEB O=C(/C=C/c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8321643 NJZRMJQRYIIHGP-JLHYYAGUSA-N 373.449 3.896 30 40 FHEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(F)cccc3s2)c1 47194735 WNAURRSYDFPBLX-UHFFFAOYSA-N 366.417 3.732 30 40 FHEB CC1(C)CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1 102917462 JWPLLLBEJXUCHD-UHFFFAOYSA-N 371.418 3.972 30 40 FHEB N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 55530971 PAUDFNPZISJPFQ-KRWDZBQOSA-N 360.373 3.534 30 40 FHEB N/N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 100467269 QBGMRRUHCFHZLC-LJZRKVIHSA-N 354.409 3.563 30 40 FHEB CCOc1ccc(-c2nc(CC(=O)N(CCC#N)C(C)C)cs2)cc1 58209345 QLYLAZSOFCBSFK-UHFFFAOYSA-N 357.479 3.902 30 40 FHEB CCOC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc2c1CCC2 2256882 SFGJPDSKYOUBMY-UHFFFAOYSA-N 361.463 3.668 30 40 FHEB C[C@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 48749110 IZYLHWRHICBASN-IYBDPMFKSA-N 353.441 3.601 30 40 FHEB CCN(C(=O)CN1CCc2sccc2C1)[C@H](C)c1ccc(C#N)cc1 89960782 ICTOYQSQGSHGNH-OAHLLOKOSA-N 353.491 3.588 30 40 FHEB CCOC(=O)/C(=C\c1ccc(OCC)c(OC)c1)C(=O)c1ccccc1 36612920 QBHFEZWAYVVRSA-LGMDPLHJSA-N 354.402 3.923 30 40 FHEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225070493 DDVRUCPXBHUIOQ-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2 41509869 IWLJXHSWIMPCMV-QGZVFWFLSA-N 361.449 3.685 30 40 FHEB CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccc(O)cc3)[C@H]21 5527816 NZRACXOBLXBSFK-RSBIIAMVSA-N 374.477 3.672 30 40 FHEB biogenic O=C(O)c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c1 5741082 WRWWPULLYWNWKZ-UDWIEESQSA-N 365.414 3.965 30 40 FHEB C=CCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OCC 208859345 UUMUWGUOVSXEIG-KPKJPENVSA-N 366.211 3.729 30 40 FHEB Cc1sc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C#N)c1C 22961914 KSFSPSKEPPYWIK-INIZCTEOSA-N 369.446 3.606 30 40 FHEB O=C1Nc2ccccc2/C1=N\c1ccc(C(=O)NCc2ccccc2)cc1 16479988 RWQZKWVLEQIHMC-UHFFFAOYSA-N 355.397 3.690 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21 100502030 XDKFWESOGCMDOS-UHFFFAOYSA-N 364.401 3.544 30 40 FHEB C=CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1 6856457 QVJCPVIGGFBMKX-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccccc2)c([N+](=O)[O-])c1 59250201 MBTWHNKMCXLZGD-LDADJPATSA-N 351.322 3.740 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)n(Cc2ccco2)c1C 9834316 SETORQVIJKPDKP-HUUCEWRRSA-N 368.481 3.534 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1 12831878 ZDLFXYLKRHJSPJ-UHFFFAOYSA-N 374.366 3.827 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1 5642639 KIFHUUQEWSOLHJ-OAHLLOKOSA-N 351.475 3.636 30 40 FHEB N#CC1(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)CCCCC1 8734172 UYOFBRYQHIVSDX-UHFFFAOYSA-N 359.426 3.915 30 40 FHEB C=CCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc21 36617257 ASJAXPPKLIHGKC-UHFFFAOYSA-N 373.821 3.659 30 40 FHEB C#CCCC1(CCC(=O)N[C@@H](CC2CCCCC2)c2ncccn2)N=N1 1615613366 TULNINSLROQALT-KRWDZBQOSA-N 353.470 3.960 30 40 FHEB Cc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)c1 5553813 QZINZYOPMWSCGH-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C 1364186 NQKREUUKIGFGKF-UHFFFAOYSA-N 363.512 3.702 30 40 FHEB C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22417188 IJBJGMNCPYTYCW-QFIPXVFZSA-N 371.396 3.785 30 40 FHEB C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1cccc([N+](=O)[O-])c1 2983448 YXJRJDKXLTYOKO-FOWTUZBSSA-N 350.330 3.504 30 40 FHEB N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 23994877 VXDPERHDQAVONE-UHFFFAOYSA-N 354.841 3.561 30 40 FHEB N#C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F 76646674 BVSJSFPEFLVJLG-QGZVFWFLSA-N 354.772 3.659 30 40 FHEB N#CCSCC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 48810211 HFJNNLUCOZKHNN-HNNXBMFYSA-N 353.285 3.663 30 40 FHEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\C2CCCCC2)NC1=O 17242621 QDOCKAJYKHIDRL-HNNXBMFYSA-N 359.495 3.552 30 40 FHEB O=c1c2ccccc2nc(N/N=C/c2ccc(F)cc2)n1-c1ccccc1 4763452 DSZIMXHAGXBWOO-OEAKJJBVSA-N 358.376 3.971 30 40 FHEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766789 YOCBKNCGADPBEL-UHFFFAOYSA-N 360.435 3.847 30 40 FHEB C=CCOc1ccc(Cl)cc1[C@@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 96193544 KEPMATQQIHQMSA-UHFFFAOYSA-N 374.828 3.559 30 40 FHEB N#Cc1cc2c(nc1N1CC(n3c(C4CC4)nc4ccccc43)C1)CCC2 1775974717 MNOVFMYSBGRWPR-UHFFFAOYSA-N 355.445 3.730 30 40 FHEB N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 19891910 GCWHRYFPPMYIMH-UHFFFAOYSA-N 359.882 3.807 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 100054097 WCNOMTXXYDUQJZ-VIOQCSKWSA-N 374.440 3.770 30 40 FHEB C#CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 2602893 YDMKLBYHEUXBQR-UHFFFAOYSA-N 361.441 3.742 30 40 FHEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccco1)c1ccco1 796024 WZWXEEOMFQTLAH-SFHVURJKSA-N 363.369 3.694 30 40 FHEB N#C[C@@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(O)c2C12CCCCC2 1439892 OWNFXTPKNHAQEC-CYBMUJFWSA-N 366.442 3.978 30 40 FHEB C=CCc1cccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)c1O 1478945 PDXYFVDQYCODAM-UDWIEESQSA-N 366.446 3.933 30 40 FHEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N[C@@H](C)c1cccs1 12567827 HTJLKTJOXUJGRF-NWDGAFQWSA-N 352.419 3.645 30 40 FHEB C[C@H]1C[C@H](C)CN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 4247672 YTMXFXCIRZRDAL-WIBYCNNDSA-N 374.481 3.939 30 40 FHEB Cc1ccccc1CN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N 5172630 HNYMEOHXFBBVKG-UHFFFAOYSA-N 353.491 3.938 30 40 FHEB CSc1nc2n(n1)[C@@H](c1ccccc1C)C1=C(CC(C)(C)CC1=O)N2 4436303 IJJJXRACWZTZNT-INIZCTEOSA-N 354.479 3.967 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4570991 QDPNMFONKDBSRZ-AWEZNQCLSA-N 370.836 3.896 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC 7442781 ZJFVMJRSGKBMNE-HWKANZROSA-N 373.792 3.584 30 40 FHEB Cc1nc(COc2ccc(/C=C3/CCc4cc(O)ccc4C3=O)cc2)no1 84281390 PDDZAFPGDDPTHA-YBEGLDIGSA-N 362.385 3.875 30 40 FHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 224715000 GGYPYJSOWNPDAN-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516830 XCRYNPIESBCHRL-VAMGGRTRSA-N 373.449 3.620 30 40 FHEB CC1=C/C(=N\C(C)=N/S(=O)(=O)c2ccc(C)cc2)C(C(C)C)=CC1=O 5752721 BENSNRJADACNAG-IZLBGDMHSA-N 358.463 3.655 30 40 FHEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c1 17073510 GOOYJVZDASZLMM-UHFFFAOYSA-N 355.488 3.852 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)c3ccccc3C1=N2 19832074 UTFDOICSYNMKMM-FPOVZHCZSA-N 371.392 3.821 30 40 FHEB COc1ccc2nc(SCC(=O)NCc3ccccc3)c(C#N)cc2c1 917561 VCCVBTRQNYRPRK-UHFFFAOYSA-N 363.442 3.524 30 40 FHEB C=CCc1cc(/C=N/c2ccc(F)cc2F)cc(OC)c1OCC(=O)O 59248326 OUGGYJJSCLHAKQ-LSHDLFTRSA-N 361.344 3.916 30 40 FHEB C=CCN(CC=C)[C@H](CNCc1c[nH]nc1-c1ccc(OC)cc1)C(C)C 48301494 CXKRHBWLCIZPPP-OAQYLSRUSA-N 368.525 3.874 30 40 FHEB CC(C)(O)C(/C=C/c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5292462 QTFFCAPFNDUXJG-SPPNIPNTSA-N 370.365 3.755 30 40 FHEB C=CCOc1c(OC)cc(/C=N/O)c(Br)c1Br 13915456 MALQXILSRXSHBP-MKMNVTDBSA-N 365.021 3.593 30 40 FHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 5445548 VMELWDLOETZWLF-INIZCTEOSA-N 357.793 3.557 30 40 FHEB N#CCc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 66686342 OWXBVRYIIDRGQJ-GOSISDBHSA-N 358.800 3.759 30 40 FHEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793279 LZROULZWHZUBHJ-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB CN(CC(F)F)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 579745804 YNXDJOKQBZYDEX-UHFFFAOYSA-N 355.816 3.542 30 40 FHEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5306502 OCYJNRBKNOXALJ-VFNWGFHPSA-N 372.428 3.702 30 40 FHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)cc2Cl)CC1 29225587 CFCOVILVFDRFFN-UHFFFAOYSA-N 360.820 3.538 30 40 FHEB COc1ccc2cc(CN(C)C(=O)COc3ccccc3C#N)ccc2c1 8360844 XNJYCJVRFGYYDA-UHFFFAOYSA-N 360.413 3.757 30 40 FHEB CCN(CC)c1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)ncn2)cc1 4713132 WIQBCWTZZMHRIF-YDZHTSKRSA-N 363.469 3.571 30 40 FHEB Cc1nc(-c2ccc(CNC(=O)[C@H](C)Oc3ccc(C#N)cc3)o2)cs1 12619012 FRLNWIRMIXTRJJ-LBPRGKRZSA-N 367.430 3.667 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 3407229 WHZRSAATOSIYQP-UHFFFAOYSA-N 355.825 3.829 30 40 FHEB CC1(C)Cc2c(sc3nc(N/N=C/c4ccco4)[nH]c(=O)c23)CS1 5396582 VIICLZYGMQJQBM-REZTVBANSA-N 360.464 3.592 30 40 FHEB C=CCOc1ccc(CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6600227 KIVXNOSPCZFXBB-FMIVXFBMSA-N 352.390 3.831 30 40 FHEB CCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 408709925 ZLYDDWLPYWVUID-UHFFFAOYSA-N 355.276 3.783 30 40 FHEB O=S(=O)(N=C1C=CC(=C(O)N2CCCCCC2)C=C1)c1cccs1 409415982 IEYWFOMPQSHATI-UHFFFAOYSA-N 364.492 3.649 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)cc1 223748162 ZMLWNQXFNRJUBU-JWGURIENSA-N 359.401 3.551 30 40 FHEB CCN1C(=O)/C(=N/c2ccc(OC)cc2)c2cc(Br)ccc21 6953623 XYWRWBCBOWMGCR-KNTRCKAVSA-N 359.223 3.945 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@H](C)C2 12564478 TYPJKPDEERSABD-KGLIPLIRSA-N 365.433 3.719 30 40 FHEB N#Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]c1C#N 12544338 JVLZYFONQKEDGJ-UHFFFAOYSA-N 364.368 3.621 30 40 FHEB O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccccc1)c1cccs1 12565902 MUUSPIMZQZKRDS-UHFFFAOYSA-O 353.492 3.764 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409141169 HDOHYNURBTYXQQ-DEDYPNTBSA-N 372.428 3.721 30 40 FHEB N#Cc1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCC2 2316390 HJYQDJQCIRGMPW-UHFFFAOYSA-N 361.517 3.616 30 40 FHEB COc1ccc(CCNC2=CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)cc1 4741313 QLKHQFHZCRMLKV-LJQANCHMSA-N 364.489 3.924 30 40 FHEB C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1cccs1 4936174 POVNOQUCOMZKBQ-ZEOVRSRCSA-N 373.478 3.950 30 40 FHEB CC/N=C1/S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CC 408930913 DRXDSWVWIYHKJM-IRYZSLSISA-N 370.434 3.698 30 40 FHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408863596 TTXZJUFDBSJFGV-MFOYZWKCSA-N 368.414 3.624 30 40 FHEB COc1ccccc1OCc1nc(SC2CCCC2)nc(N)c1C#N 223690758 WGABRCUUZVIQNO-UHFFFAOYSA-N 356.451 3.553 30 40 FHEB CN(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 1624174 UILSIXHPMXONEE-KBNZVFGVSA-N 374.484 3.517 30 40 FHEB COc1ccc(-c2nc(N(C)Cc3ccc(F)cc3)nc(O)c2C#N)cc1 40122665 UEFCZWFWNXLOCW-UHFFFAOYSA-N 364.380 3.505 30 40 FHEB COc1ccc2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1 917577 JCSZCUWJDWAKDU-UHFFFAOYSA-N 364.426 3.951 30 40 FHEB O=C(C[n+]1ccc2ccccc2c1)c1cccc(I)c1 3130021 HGVBTTBAINKUEH-UHFFFAOYSA-N 374.201 3.615 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(F)cc1 22608139 MCBZHYOYHUADHG-RTHLEPHNSA-N 366.318 3.704 30 40 FHEB COc1ccc(NC(=O)[C@@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cn1 61720509 ZIJGLOWYWFJCDV-LLVKDONJSA-N 354.797 3.546 30 40 FHEB CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)SC1=S 26841487 SMMUILQUMFGVHA-MDWZMJQESA-N 370.459 3.819 30 40 FHEB CC/C(C)=N\Nc1nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2s1 57354595 KXWWGWPMZXTENG-STZFKDTASA-N 373.526 3.799 30 40 FHEB COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC 1940169 HBZGSKQOJIPBDG-UHFFFAOYSA-N 372.446 3.777 30 40 FHEB C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2SC(C)C)c1 58224520 BIOCDMPZHGJSJF-UHFFFAOYSA-N 352.459 3.537 30 40 FHEB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@H]1c1cccc(C#N)c1 10353230 SFSTVUJRCAHVQP-IBGZPJMESA-N 361.401 3.585 30 40 FHEB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(c2ncccc2C#N)CC1 69842372 RQKYWOMCKWNPSD-IBGZPJMESA-N 369.513 3.532 30 40 FHEB C[C@H]1CCc2c(sc(/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)c2C#N)C1 6824576 SVFHWFOZZAWGOL-VIFPVBQESA-N 366.402 3.726 30 40 FHEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 9420014 LZKBDUBCHWJETN-WQRHYEAKSA-N 353.374 3.762 30 40 FHEB CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)NCC#Cc1ccccc1 95451633 OQYNGXWQNYRALP-GCJKJVERSA-N 370.493 3.628 30 40 FHEB O=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccc(F)cc1 409344202 IBBBDXVBMNRHHV-DJKKODMXSA-N 360.435 3.599 30 40 FHEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225070820 LEMJMWBGYWUKDE-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 684813392 IVWHAQKSLBOHAI-SCTDSRPQSA-N 360.502 3.634 30 40 FHEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 16687949 NTTZIUYNOHNEEB-DQXUBXGMSA-N 373.792 3.972 30 40 FHEB COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCC#N)cc1)N(C)CC2 2500360 AXPKCHVXKOSJDD-FQEVSTJZSA-N 366.461 3.768 30 40 FHEB biogenic O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccccc1Br 20987451 LOBDNWNRRWZLCZ-LCYFTJDESA-N 351.269 3.952 30 40 FHEB Fc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1Br 980707 PCDRBDFQYMXGJW-VXLYETTFSA-N 366.259 3.586 30 40 FHEB COc1ccc(N/N=C2\C(=N)N(c3ccc(C)cc3)N=C2C)cc1OC 105624199 JHOJCMKCXWRKCC-JYJISWNTSA-N 351.410 3.653 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20482065 AHAABNZYXFUCNV-QGZVFWFLSA-N 366.461 3.934 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccccc1Cl 5010612 GGAGEROZVJVMGZ-UHFFFAOYSA-N 355.850 3.662 30 40 FHEB COc1cccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 96346488 ZXOCUUPZNNRPEW-UHFFFAOYSA-N 360.417 3.548 30 40 FHEB N#C[C@@H](c1ccccc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95455183 PNWVKPITHAZIBA-FQEVSTJZSA-N 355.445 3.530 30 40 FHEB C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1cccc(OCc2ccccn2)c1 71388727 YTWKCHSQSJEIFI-ZDUSSCGKSA-N 358.401 3.768 30 40 FHEB Cc1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1C 95469520 MHSMCOYNXVZYDM-UHFFFAOYSA-N 373.441 3.537 30 40 FHEB O=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)c2c1cccc2[N+](=O)[O-] 1772493186 JKLUKAWEZNOHBM-POHAHGRESA-N 374.146 3.526 30 40 FHEB C=CCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 1269823 KVAYXWMQDQPTCC-PDGQHHTCSA-N 363.417 3.891 30 40 FHEB N#Cc1ccc(O[C]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1 1560408711 ZJFAOQUAOYQCKH-VQIMIIECSA-N 366.872 3.519 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 5170288 RACIHQJZOSHHLC-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB C[C@H]1C[C@H](C)CN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 5554287 LSCGZJZKKAPTNP-BZSNNMDCSA-N 364.489 3.775 30 40 FHEB CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc3c(c2)C=CC(=O)C3)c1O 6464407 VGLBZRADOBVWJS-JAIQZWGSSA-N 352.346 3.588 30 40 FHEB CN(C)N1C(=O)C[C@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1430122 OPOMNMKPKBTHEG-IAGOWNOFSA-N 366.486 3.941 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2c(C)cc(C)cc21 100910326 TZBYOALSFXKHLW-VXPUYCOJSA-N 365.414 3.602 30 40 FHEB CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 32808485 RQTPLNPFLBSZPW-GOSISDBHSA-N 368.393 3.832 30 40 FHEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H](O)[C@@]12F 118933054 ZVKKSLFHXTYQQE-ZOURKWAFSA-N 350.474 3.578 30 40 FHEB C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc2c(c1)OCCCO2 13057197 GBTHDRJTTGEYPL-KGENOOAVSA-N 355.463 3.867 30 40 FHEB O=C1N/C(=N/N=C/c2ccc(Br)cc2)S[C@H]1c1ccccc1 18323507 FNAWFUVYZDQEOE-XKYMITNMSA-N 374.263 3.743 30 40 FHEB C=CCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)COC(C)(C)C3 5274486 VRCDLNPVHYDJQZ-UHFFFAOYSA-N 374.506 3.767 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccco4)nc13)O2 5346807 KOJIOEXRFFUSTD-MRXNPFEDSA-N 374.356 3.509 30 40 FHEB CC1(C)CC(=O)c2cn(-c3ccc(Br)cc3)c(=N)c(C#N)c2C1 4676096 ZHEVIXARLUPZHI-UHFFFAOYSA-N 370.250 3.746 30 40 FHEB CN(C)c1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1Br 408980843 SZSYNYNCUIEFOH-UHFFFAOYSA-N 371.282 3.740 30 40 FHEB Cc1ccc2nc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)sc2c1 36011744 XMUYWOKMRDGPQH-FRKPEAEDSA-N 358.335 3.877 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C 409277709 BTAIAGFVJWKBMA-UHFFFAOYSA-N 370.250 3.912 30 40 FHEB CC(C)(C(=O)NCCc1ccc(C#N)cc1)c1cccc(Br)c1 597892591 XESBGLAQIRNBTC-UHFFFAOYSA-N 371.278 3.957 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCC2 5046252 UHVJKOBQDZBVID-VXGBXAGGSA-N 364.854 3.671 30 40 FHEB C=CCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 12345342 BWWLLJJLWNEWRW-WCRBZPEASA-N 355.457 3.531 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@H](c3cccc(O)c3)Nc3ccccc3N2)C(=O)O1 102443791 CTTRWDJQXLVNOS-QTIQAUKSSA-N 362.385 3.645 30 40 FHEB CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCCC2 5055776 HYXJBFMIQHWIIW-UHFFFAOYSA-N 353.447 3.501 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)no1 13570592 JINOZBDFMNSJNX-INIZCTEOSA-N 366.398 3.827 30 40 FHEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 4909607 GWKGJNDKCUCJBS-CHFFKMNDSA-N 355.438 3.988 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2[nH]ccc2c1 32093739 AUNQZGLDAICRJL-LJQANCHMSA-N 364.445 3.945 30 40 FHEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1cccc([N+](=O)[O-])c1 101941150 YZXLLUMCGCTLIG-UDWIEESQSA-N 364.409 3.542 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2/C(O)=Nc3ccc(Cl)cc32)c([N+](=O)[O-])c1 20823343 CCRLYGNWKOQAEH-UHFFFAOYSA-N 361.701 3.574 30 40 FHEB C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCC(C#N)CC1 58209788 LXFYVEZXGKKYIO-ZDUSSCGKSA-N 364.287 3.715 30 40 FHEB CC1(C)Cc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)CO1 2495716 HMAGLBATTCXCAA-UHFFFAOYSA-N 357.391 3.632 30 40 FHEB CC[C@@H](C(=O)/C=C1\NCCc2cc(OC)c(OC)cc21)c1ccccc1 5429090 QQFLSAGZQBEUBL-SQFNAUOLSA-N 351.446 3.953 30 40 FHEB biogenic CCOc1ccccc1/C=N/OCC(=O)N[C@H]1CCCc2ccccc21 14360583 ASEUOEAXGVAYAV-KWJZBXMYSA-N 352.434 3.630 30 40 FHEB N#CC1(NC(=O)COC(=O)c2sc3ccccc3c2Cl)CCCC1 4870924 BNTLDBDKUHXHOO-UHFFFAOYSA-N 362.838 3.664 30 40 FHEB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C#N)n(C)c2C)cc1 7087942 BHOLNIVCKUQCAY-NRFANRHFSA-N 372.428 3.985 30 40 FHEB CCOC(=O)[C@@H](S)Cc1ccc(OCCc2ccc(CC)cn2)cc1 65748834 ATYWGCSTAHNAKQ-IBGZPJMESA-N 359.491 3.670 30 40 FHEB in-vitro C=C(C)COc1cc(CNc2ccc(-n3cccn3)nc2)ccc1OC 95943680 OULWJKNXPRMRBO-UHFFFAOYSA-N 350.422 3.843 30 40 FHEB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 9985549 MTLUPCIYYOABQA-DHZHZOJOSA-N 374.440 3.702 30 40 FHEB Sc1nncn1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611076 KFVPBULDIMZMEG-NGYBGAFCSA-N 369.233 3.928 30 40 FHEB C=C(C)COc1cccc(C(=O)NCc2ccc(OC)c(OC)c2OC)c1 219785542 QRHMTXGXBSWLMX-UHFFFAOYSA-N 371.433 3.597 30 40 FHEB OC(=Nc1nc2c(s1)CCCC2)N(Cc1ccncc1)C[C@H]1CCCO1 328871560 YJESNPMKGLYION-OAHLLOKOSA-N 372.494 3.644 30 40 FHEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCCC1 226278951 IAGFWQHEOCBVAN-UHFFFAOYSA-N 356.344 3.521 30 40 FHEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225855533 OFEBCWNMHLQMDV-VBKZILBWSA-N 358.438 3.798 30 40 FHEB C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)[C@H]1OCCc2sccc21 584515828 PBLUIHOZFXKNEJ-BFUOFWGJSA-N 352.459 3.849 30 40 FHEB CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 70007973 RCNCZKAAWKCJBO-OAQYLSRUSA-N 357.473 3.700 30 40 FHEB N#Cc1cn(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc12 226362339 AVOZHJVMWUKUBW-UHFFFAOYSA-N 370.162 3.872 30 40 FHEB CCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1cccc(C(=O)O)c1 100936748 JZHZQCPUCYHPQS-NIPZQEADSA-N 368.414 3.714 30 40 FHEB O=C1N(Cc2ccccc2)[C@@H]2C[S@@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1 3831581 CHQOEHPMXSHGCL-VLECTGLKSA-N 365.522 3.656 30 40 FHEB world N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718519 PYVQOYISMNIISI-LBPRGKRZSA-N 374.227 3.857 30 40 FHEB CCn1cnnc1S[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12553233 JPPPKNZOHBINCA-HNEYUBDGSA-N 356.495 3.659 30 40 FHEB Cc1ccc(S(=O)(=O)C(/N=C(\N)c2ccccc2)=C(Cl)Cl)cc1 49549346 NRXINGLUBMITGS-UHFFFAOYSA-N 369.273 3.778 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 9088664 JQRGZMDLINPLRE-SGTLLEGYSA-N 366.808 3.940 30 40 FHEB COc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccc(C)cc2)cc1 225862473 ZONWAFCJPSUCQB-UHFFFAOYSA-N 361.445 3.929 30 40 FHEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894207 OVIHQJFZHCTPSS-UHFFFAOYSA-N 358.463 3.589 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc(F)ccc2F)C1=O 40139814 VVXGGZWAGQZDCV-WJDWOHSUSA-N 371.339 3.792 30 40 FHEB N#CC1(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)CCCC1 8001056 WUDPUWWNQLCXFT-SFHVURJKSA-N 371.531 3.710 30 40 FHEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C(C)=Nc3ccccc32)c1 103445306 CWZMPJFKRFTGHH-QOCHGBHMSA-N 370.478 3.639 30 40 FHEB C=CCSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12408372 CQGVWTXLZISLIQ-UHFFFAOYSA-N 357.870 3.898 30 40 FHEB CC1CCC(NC(=O)CNc2ccccc2Oc2ncccc2C#N)CC1 55844397 NNDRSZYGZFBHGV-UHFFFAOYSA-N 364.449 3.852 30 40 FHEB CCN(CC)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1 29919495 BDWKKZVKFRLWMY-JOCHJYFZSA-N 363.505 3.560 30 40 FHEB O=C(COc1ccc(F)cc1F)Nc1cccc(C#Cc2ccccn2)c1 24790686 YUSNDYUGBAYFOI-UHFFFAOYSA-N 364.351 3.777 30 40 FHEB C=CCn1c(C)c(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 17145753 XZTNMIGJPVZVPG-DEDYPNTBSA-N 371.465 3.906 30 40 FHEB Cc1cc(-n2c(C)cc(/C=C3\S/C(=N\C4CCCC4)NC3=O)c2C)no1 7813634 AQXGBOOPSVWOQX-YBEGLDIGSA-N 370.478 3.893 30 40 FHEB NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1 408804354 XVVQQNGTKRZCFX-UYOCIXKTSA-N 356.731 3.974 30 40 FHEB N#CCCn1cc(CN(CCO)C2CCCCC2)c(-c2ccccc2)n1 95430334 FVMXKCLRLSBFGP-UHFFFAOYSA-N 352.482 3.591 30 40 FHEB O=[N+]([O-])c1cccnc1N/N=C\c1cc(Br)cc(Cl)c1O 409105472 HVYYAGBLJATVOY-SOFYXZRVSA-N 371.578 3.557 30 40 FHEB CCOc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-] 409107852 RKXSYIZBJJZUSS-RQZCQDPDSA-N 365.187 3.597 30 40 FHEB Cc1nnc(/N=C2/S/C(=C/c3ccc4ccccc4n3)C(=O)N2C)s1 32059296 CZAKTMSQDRXJKN-DJGRXSLVSA-N 367.459 3.629 30 40 FHEB N#C[C@@H]1CSCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 540430001 OGVOHBIMBXOKPL-QGZVFWFLSA-N 361.470 3.771 30 40 FHEB CC(=O)Nc1ccc2nc(NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 44835319 KJANHHRAJYFZFG-UHFFFAOYSA-N 357.435 3.509 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2)nc1COc1ccc(F)cc1 223688961 IMCZIXPHVCYFHQ-UHFFFAOYSA-N 366.421 3.941 30 40 FHEB COc1ccccc1OCC#CCNC(=O)c1ccccc1C(F)(F)F 90610365 NWOCHTGYPWLSJV-UHFFFAOYSA-N 363.335 3.526 30 40 FHEB N#Cc1ncccc1NCC1(c2cccc(Br)c2)CCOCC1 564555339 RZSQCJQFVGGDPL-UHFFFAOYSA-N 372.266 3.876 30 40 FHEB COc1cc(/C=C/C(=O)Nc2nc3ccccc3s2)ccc1OCC#N 5635533 JDTSQPWQARVACZ-VQHVLOKHSA-N 365.414 3.859 30 40 FHEB Cc1ccc(C(=O)/C=C2/Nc3c(C)nn(-c4ccccc4)c3NC2=O)c(C)c1 13207742 KHDRSZNSRDLYMM-LDADJPATSA-N 372.428 3.928 30 40 FHEB O=S(=O)(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1 33554737 COMCNOSXVBTLSL-QNGOZBTKSA-N 366.442 3.578 30 40 FHEB CNC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 31205084 YIFXPORLKXOUDP-UHFFFAOYSA-N 369.424 3.766 30 40 FHEB C=C1CN(C(C)=O)C[C@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2510354 CFZPILZXWJKGJJ-MRVPVSSYSA-N 357.216 3.879 30 40 FHEB Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(C#N)cc3F)c12 32869370 KHJQRDHTHGWJNS-UHFFFAOYSA-N 351.337 3.776 30 40 FHEB COC(=O)Cn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811995 YQUUJHBTZPZLBR-SSDVNMTOSA-N 355.825 3.591 30 40 FHEB C=CCn1c(C)c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 977287 XZTNMIGJPVZVPG-MOSHPQCFSA-N 371.465 3.906 30 40 FHEB N#C[C@@H](C(=O)c1ccnc(Cl)c1)c1nc(O)c2ccc(Cl)cc2n1 54430157 CAUBCEFQVNDQBR-NSHDSACASA-N 359.172 3.527 30 40 FHEB C#CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OCC 20761674 IGUHUZNCHGZLAL-LPYMAVHISA-N 372.852 3.883 30 40 FHEB CO/N=C/[C@H](C#N)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 4050656 MWZIZKAVTWFVKL-SNEVESSPSA-N 362.233 3.907 30 40 FHEB CC(=O)Nc1s/c(=N\N=C\c2ccc(O)cc2)[nH]c1-c1ccc(C)cc1 4981636 HYMGLVAWFCAYOC-RGVLZGJSSA-N 366.446 3.650 30 40 FHEB COCCn1c(C)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C 408967564 VTSSIJRCPYPJMN-GZTJUZNOSA-N 373.453 3.782 30 40 FHEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2)cc1OC 33736543 FZTWXHGGHVVHGD-MTJSOVHGSA-N 360.385 3.612 30 40 FHEB CCc1nnc(S)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611444 UDPRRCZBOPSZKH-GIJQJNRQSA-N 362.842 3.837 30 40 FHEB C=CCOc1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 71260598 CONCVPRLDHUFCW-UHFFFAOYSA-N 369.494 3.794 30 40 FHEB C/C(=N/Nc1ncc(Br)cn1)c1ccc(Br)cc1 4595572 NIQCZCOHEXCDPN-IUXPMGMMSA-N 370.048 3.838 30 40 FHEB Cc1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(C#N)c1C 10253495 DTGLJJLXEGKYOR-UHFFFAOYSA-N 362.476 3.671 30 40 FHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1cccs1 5729590 FGGSSOSKJPCBDS-WMLDXEAASA-N 369.442 3.505 30 40 FHEB CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1C#N 40149279 RXRGYSZEGQABDT-UHFFFAOYSA-N 361.405 3.926 30 40 FHEB C=CCn1nnnc1NCc1ccccc1OCc1ccccc1Cl 6856491 UMEVIFLDDRMQNF-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB Brc1cc2c(cc1/C=N/Nc1nc3ccccc3[nH]1)OCO2 7008451 PKJVTONLGJOFOG-REZTVBANSA-N 359.183 3.500 30 40 FHEB COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O 681010 FWZMPPCFGSYJFG-DNTJNYDQSA-N 353.205 3.617 30 40 FHEB O=C1N(Cc2ccccc2)[C@@H]2C[S@@+]3CCC[C@@H]3[C@H]2N1Cc1ccccc1 100308851 CHQOEHPMXSHGCL-XCBFCAQUSA-N 365.522 3.656 30 40 FHEB world COc1cc(CN(C)C(=O)NCc2cccc(C#N)c2)ccc1SC 58279080 WJFZVNVBSKDMLQ-UHFFFAOYSA-N 355.463 3.630 30 40 FHEB COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 36394454 FJPUMNUKKZQYHS-UHFFFAOYSA-N 350.296 3.760 30 40 FHEB C=CCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2311638 LRJWFLQBLGJIJK-UHFFFAOYSA-N 371.444 3.634 30 40 FHEB N#Cc1c(NC(=O)CSc2nc(C3CC3)n[nH]2)sc2c1CCCCC2 11471166 ZYZXSDOZUYVMDM-UHFFFAOYSA-N 373.507 3.615 30 40 FHEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)cc1 48472778 LWNGFVSWIBJXMM-UHFFFAOYSA-N 357.431 3.656 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(N(C)C)c(Br)c1 20761976 RLCJRGVXNNJZSL-YBFXNURJSA-N 362.271 3.647 30 40 FHEB C=CCOc1ccc(CN(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 8745259 QUIYEIJMIIESCK-UHFFFAOYSA-N 354.406 3.687 30 40 FHEB Oc1cccc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)c1O 7349696 YVNAEPVIDNXMSJ-UFWORHAWSA-N 360.826 3.517 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Sc2ccccc2)o1 409353695 PRSBXYIAGAGENZ-UHFFFAOYSA-N 363.398 3.729 30 40 FHEB N#CCCSc1ccccc1NC(=O)CCNC(=O)c1cccs1 95953423 XKWUIDAOJUNZKS-UHFFFAOYSA-N 359.476 3.512 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)[nH]c1C 409302567 FJRMOWIDWSXGFH-UHFFFAOYSA-N 373.254 3.549 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC)C1=O 409046645 KVRAMMTVBAAEIJ-UKTHLTGXSA-N 366.236 3.517 30 40 FHEB CCc1nnc(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)O)o1 214862309 AIJOBGXHCJKBFJ-DHDCSXOGSA-N 367.386 3.981 30 40 FHEB Cc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3O)CC2=O)Nc2ncnn21 5203476 ZWGVPVOHXHALJI-QKKBWIMNSA-N 372.428 3.708 30 40 FHEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(F)cc2)n1 13579583 XXSSDEUTXFYOHV-UHFFFAOYSA-N 372.421 3.618 30 40 FHEB CC(=O)NCCCCCNc1c(F)c(F)c(C(F)(F)F)c(F)c1F 3671350 RXUIRQROYNLKPV-UHFFFAOYSA-N 360.273 3.980 30 40 FHEB C[C@@H](C#N)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 32945150 GBZKRLKGKTTYJZ-LBPRGKRZSA-N 351.391 3.847 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2ccccn2)c1C 12516776 ZQPNKBXURTWCAQ-UHFFFAOYSA-N 361.401 3.631 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@H](C)C2 12563087 IDVAYSIKTOZOQG-KGLIPLIRSA-N 365.433 3.719 30 40 FHEB CC[C@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O 18117946 CTTKTCKPTWQXNK-VRTBNJGNSA-N 374.487 3.725 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(F)cc2)C(=O)N(c2ccccc2)C1=S 408730982 XIRIOSKWLRYJST-GHRIWEEISA-N 366.417 3.555 30 40 FHEB COc1ccc(/C=C/C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 408628534 URDARDOVIATOOI-RMKNXTFCSA-N 371.487 3.772 30 40 FHEB COc1ccc2ccc(OC)c(/C=N/Nc3ncccc3[N+](=O)[O-])c2c1 409068996 VEPQYDGVCVSPOR-RGVLZGJSSA-N 352.350 3.606 30 40 FHEB C=CCOc1ccc(C(=O)NCc2ccc(OCC)c(OCC)c2)cc1 219638474 CAZFZAYIAITBNN-UHFFFAOYSA-N 355.434 3.979 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)s1 223552859 FBMYLPMEWSTYDG-ZDUSSCGKSA-N 365.480 3.621 30 40 FHEB C=CCOc1cccc(NC(=S)NCCc2ccc(OC)c(OC)c2)c1 225317157 ZLMMABABCBXOCH-UHFFFAOYSA-N 372.490 3.798 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C1\O[C@@H]([C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1=O 245240707 RSIBIUSOHOXXOW-QBMANHEJSA-N 370.489 3.875 30 40 FHEB C[Si](C)(C)C#Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 255189139 NZHICSFOBHIEJA-UHFFFAOYSA-N 361.420 3.542 30 40 FHEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)C/C2=N\O 16739514 NKLLQKRAJINUMX-XRVUZATCSA-N 366.259 3.829 30 40 FHEB C=CCn1c(SC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCCC3 7084730 TUJBNVKIBQKTSY-GFCCVEGCSA-N 362.520 3.794 30 40 FHEB CO/N=C(/CN1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 20388073 BMBJJYIQCUJEBO-PYCFMQQDSA-N 361.848 3.652 30 40 FHEB C=CCNc1nnc(SCC(=O)NCc2ccccc2)c2ccccc12 4894261 TZXRKHPMOIJUGX-UHFFFAOYSA-N 364.474 3.636 30 40 FHEB CC(=O)O/N=C1\c2ccccc2-c2ccc(I)cc21 6692670 BTKIBFVBXUMETA-BMRADRMJSA-N 363.154 3.587 30 40 FHEB N#CCn1c(CSc2nc3ccccc3s2)nc2ccccc2c1=O 2627806 KFRGCXDNGBVUAQ-UHFFFAOYSA-N 364.455 3.822 30 40 FHEB CCN(C(=O)CN1CCc2sccc2C1)[C@@H](C)c1ccc(C#N)cc1 89960781 ICTOYQSQGSHGNH-HNNXBMFYSA-N 353.491 3.588 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCO2 107792544 QIQFZMMTQNGNMC-YDZHTSKRSA-N 369.380 3.674 30 40 FHEB C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N 3252730 NWFCOEBKVHSZFR-AWEZNQCLSA-N 363.486 3.830 30 40 FHEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 6540398 DBOCTPUUJRTPBT-AWEZNQCLSA-N 352.390 3.566 30 40 FHEB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 8757205 ANCRATXTGPRLSO-SNVBAGLBSA-N 355.448 3.524 30 40 FHEB C/N=C1/S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C 408928463 BOIITQNVYRNEAR-RQYGOXCDSA-N 357.391 3.695 30 40 FHEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225115976 JLQRQCKTEIRBBP-UHFFFAOYSA-N 365.426 3.614 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OC)c(OC)c1OC)C2 85875126 KLDCRAOJJFKMSN-ZSOIEALJSA-N 370.401 3.552 30 40 FHEB biogenic COc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OC(C)C 96193669 VAGBRWNRXNXFIB-WZUFQYTHSA-N 354.200 3.561 30 40 FHEB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCC#N)n2-c1ncccn1 96037402 KSOZQWWZFVRVJH-UHFFFAOYSA-N 372.432 3.600 30 40 FHEB CCCCc1ccc(/C(C)=N/Nc2cc(N3CCOCC3)nc(C)n2)cc1 5003245 QBFALBLSXWEBNQ-LFVJCYFKSA-N 367.497 3.800 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)c(O)c2ccccc21 12414648 OEQVCBCRAZPEOD-UHFFFAOYSA-N 352.365 3.593 30 40 FHEB CC(=O)c1cccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c1 6923699 UXWVDOSBAZIRSA-UHFFFAOYSA-O 374.464 3.539 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 24507139 IATZOWUBECYSOQ-UHFFFAOYSA-N 369.346 3.673 30 40 FHEB O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)Cc2ccccc21 23776651 JYSPTYXZAWQHOT-OBGWFSINSA-N 356.425 3.894 30 40 FHEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ncc[nH]2)cc1 18197025 XCSKQFQZPJEAKX-LJQANCHMSA-N 359.433 3.777 30 40 FHEB CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 13777447 QREBECCNKCYQMO-UHFFFAOYSA-O 360.481 3.898 30 40 FHEB COc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 5110221 WGNNQPPRSCCUCX-WEVVVXLNSA-N 372.442 3.918 30 40 FHEB CC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 6671674 IIRSNWULZHFRPV-UHFFFAOYSA-N 353.447 3.715 30 40 FHEB Cc1ccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1 409409527 WCDSUSPXRAJPCX-IDPBPBMLSA-N 373.456 3.544 30 40 FHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 409173415 MOWNMVWQRGKBGQ-HOKRVXKHSA-N 373.456 3.667 30 40 FHEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)cc1 408740325 FNBGFWWGPRCMSD-WJDWOHSUSA-N 369.402 3.885 30 40 FHEB CCNC(=S)N/N=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 32124633 ZFEKOOJASFHMJU-ODLFYWEKSA-N 374.491 3.872 30 40 FHEB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(/C=N/c2ccccc2)cc1 5600772 KVLSPUYBGOFQKZ-GZKUGWNMSA-N 362.345 3.717 30 40 FHEB N#Cc1ccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 15523877 ACJJPHZDOBJVND-UHFFFAOYSA-N 360.383 3.684 30 40 FHEB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 100587056 YTXHYKSCSIKERP-CCULFSDZSA-N 359.385 3.698 30 40 FHEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 1321529 JQWISHUBSOEHDO-IEIRFRATSA-N 370.513 3.564 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 843842 INOGKDNIOKYPCK-UHFFFAOYSA-N 355.419 3.708 30 40 FHEB C=C1[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C 12559444 GWZQTOHOERXPOC-KDIGXEEGSA-N 372.468 3.744 30 40 FHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3O)S2)cc1 408742796 SUWIPXHTCGKNKB-LFIBNONCSA-N 370.430 3.691 30 40 FHEB CCOc1cc(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C(C)C 409408452 QTDVUTQTFIWPKO-HZVDNRATSA-N 366.461 3.658 30 40 FHEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)ccc1O 13730214 VAEBJCXHBDOHKI-KRWDZBQOSA-N 354.406 3.898 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 4436343 RTRWJJHLGLOGCV-INIZCTEOSA-N 370.478 3.754 30 40 FHEB C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408966624 PQXGQLDJQWHEHK-QGOAFFKASA-N 364.426 3.599 30 40 FHEB C=CCNC(=O)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38536198 DNGJSKFJBMXPLP-UHFFFAOYSA-N 366.387 3.663 30 40 FHEB CCCOc1ccc(N/N=C2\Sc3nc4ccccc4n3C2=O)cc1 101640675 OXQPAJRZYKBJKY-PGMHBOJBSA-N 352.419 3.997 30 40 FHEB Cc1ccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccc3ccccc3c2)cc1 864099 VEQQZWSIKZUMLJ-LJQANCHMSA-N 353.443 3.742 30 40 FHEB Cc1ccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)cc1 1354108 OAOOWSSYMKBWNU-UHFFFAOYSA-N 358.401 3.721 30 40 FHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)CC(=O)N2 4944294 BFNXXXQJCLMCED-OAHLLOKOSA-N 363.442 3.675 30 40 FHEB CC1CCC2(CC1)C(=O)N[C@@]1(C=C[C@@H](C)CC1)[C@@]2(O)C#Cc1ccccc1 4983834 VNPKXGXTANPGCD-LRSBANCDSA-N 363.501 3.820 30 40 FHEB CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1ccccc1)[C@H]1C(=O)NN=C1C 102758777 YQUYDXZBSKSRRB-CEXWTWQISA-N 369.465 3.545 30 40 FHEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)c1 5164863 HBTZDWFGIYVGQQ-JAIQZWGSSA-N 373.364 3.926 30 40 FHEB Cc1ccc(C2=N/C(=C/c3ccc(N(C)CCC#N)cc3)C(=O)O2)s1 96403035 DPVLLVJKUQJRJV-FOWTUZBSSA-N 351.431 3.751 30 40 FHEB O=C(C#Cc1ccc2c(c1)OCO2)NC(c1cccs1)c1cccs1 84437054 QYZUWSNRELZMRF-UHFFFAOYSA-N 367.451 3.796 30 40 FHEB O=C1C=CC(=O)N1c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 5034868 KBMUCNUWLVOZHN-UHFFFAOYSA-N 373.249 3.999 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 16008276 MITKFSKFIUVVRT-VIFPVBQESA-N 355.872 3.876 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2ccc(C)cc2)s1 16008317 YRLWEAYBAOYWJL-UHFFFAOYSA-N 351.522 3.997 30 40 FHEB CC(=O)c1ccc(OCCCC(=O)OCc2ccc(C#N)cc2F)cc1 11769973 QYNUBGVLECHYRO-UHFFFAOYSA-N 355.365 3.802 30 40 FHEB CC(C)(C)OC(=O)N[C@H](C=O)Cc1ccc(OCc2ccccc2)cc1 2516829 SLSOSKGFUOFMCP-SFHVURJKSA-N 355.434 3.900 30 40 FHEB C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccc(F)cc3)N2C1=O 1626636 JJOUVADKRBEFAF-BMLIUANNSA-N 364.401 3.808 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1Cl 59248505 UJNNLNNSUSMIOE-JZOCJUILSA-N 361.781 3.729 30 40 FHEB C=CCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 9936423 GNOFHTHMXBSQPX-CQSZACIVSA-N 363.417 3.985 30 40 FHEB Cc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 54061439 KZMOWBVWXJZQJP-UHFFFAOYSA-N 358.445 3.844 30 40 FHEB Cc1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1748637 JUMNLWSMUHSZSN-UHFFFAOYSA-N 363.369 3.832 30 40 FHEB biogenic COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccc(OC)cc2)C1=O 4703152 GKDAXAKMXGTXJC-LDADJPATSA-N 367.376 3.712 30 40 FHEB C=CCOc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 408562615 DETCWZXPLWZWHZ-ZRDIBKRKSA-N 369.417 3.929 30 40 FHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1ccc(OC)cc1)C2=O 36065989 HJASBTALPVQHNR-XDHOZWIPSA-N 353.418 3.859 30 40 FHEB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 66091516 DZBQABPKWCPHFA-FQEVSTJZSA-N 369.461 3.862 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 32817146 KTTBNUZCYRGRIO-UHFFFAOYSA-N 354.431 3.527 30 40 FHEB COc1cccc(OCc2nc(SC3CCCC3)nc(N)c2C#N)c1 223692595 IVEIWOVKRVGFIX-UHFFFAOYSA-N 356.451 3.553 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C)cc32)c(C)c1 223721482 ALNHDDVWPWCXSQ-QOCHGBHMSA-N 351.475 3.890 30 40 FHEB C=CCN1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19530061 VJZHJOLFHNJUOK-WIYYLYMNSA-N 374.456 3.540 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 19207970 AELWUEBYALHNCX-UHFFFAOYSA-N 371.299 3.824 30 40 FHEB CCOc1ccccc1/C=N\n1c(-c2ccc(OC)cc2)n[nH]c1=S 1473640 JHIGUZMADFUTLF-UNOMPAQXSA-N 354.435 3.897 30 40 FHEB COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1Cl 5009226 PKYBLEMQRRJHHI-UHFFFAOYSA-N 371.849 3.675 30 40 FHEB C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 6365325 YDVNFECDARCRPN-NSHDSACASA-N 371.487 3.982 30 40 FHEB N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnc2n1CCCCC2 41509450 JLQYKCGFFCHNLQ-HNNXBMFYSA-N 364.380 3.894 30 40 FHEB CSc1ccc(/C=N/OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3328843 WBJAISIXBMFWBM-YIRPMMGJSA-N 356.491 3.897 30 40 FHEB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 17073978 IOLPIKDMXHHVLX-OAHLLOKOSA-N 358.442 3.797 30 40 FHEB N#C[C@H]1C2=C(CCCC2)S[C@@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408740762 MHSDCHVBXMYXNY-DVVMKUTISA-N 374.378 3.668 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1ccc(Cl)cc1 5354629 HLSVLAFLBIWQNV-ATVHPVEESA-N 355.821 3.871 30 40 FHEB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC 5788543 NOPWGPSFEWLXIQ-IBGZPJMESA-N 366.417 3.605 30 40 FHEB N#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67013475 OOXJVEKGOZLMLV-QGZVFWFLSA-N 359.788 3.956 30 40 FHEB COc1ccc(OCc2nc(SC3CCCC3)nc(N)c2C#N)cc1 223694564 WRTXNXXFSQDZOB-UHFFFAOYSA-N 356.451 3.553 30 40 FHEB CC1=C(N/N=C(\C#N)c2nc3ccccc3[nH]2)C(=O)[C@@H](c2ccccc2)[C@H]1C 1554504424 IHMQAYQUPQIZFP-IFMOAKQESA-N 369.428 3.657 30 40 FHEB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@]231 2570514 RTQHUAHEQACVGY-NALHQMNBSA-N 370.445 3.520 30 40 FHEB Cc1csc2c(N3CCC(COc4cc(C#N)ccn4)CC3)ncnc12 1889152072 UNVGDRGAGSCOJZ-UHFFFAOYSA-N 365.462 3.562 30 40 FHEB C#CCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cccc(OC)c21 100909842 PZOFOWIJCSMHIR-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB CCN(C(=O)NCc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 40151630 ZOOGQZAYOIXIGJ-CQSZACIVSA-N 351.406 3.580 30 40 FHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)N2 4944295 BFNXXXQJCLMCED-HNNXBMFYSA-N 363.442 3.675 30 40 FHEB CC(=O)CC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100045370 WKZWQTGKGJHUHH-YFKPBYRVSA-N 370.114 3.570 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2Cl)c1C#N 872498 BELQEKUDKDWTCX-UHFFFAOYSA-N 361.854 3.792 30 40 FHEB COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 8495932 IXIYHKDVLQAHIL-UHFFFAOYSA-N 371.487 3.634 30 40 FHEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1C1CCCCC1)c1cccc2nsnc12 76767192 CFUKVMBZRXIBBF-NWDGAFQWSA-N 365.480 3.553 30 40 FHEB CN(C)c1cc(C(=O)OC[C@H](C#N)Cc2cccs2)c2ccccc2n1 95942900 MMPLEDQIJMLBDW-AWEZNQCLSA-N 365.458 3.902 30 40 FHEB O=C(O)COc1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1Cl 408846097 OQRHMWSSIAJGBF-GXHLCREISA-N 368.172 3.906 30 40 FHEB C=C(C)C[C@@H]1N(c2ccc(C(C)C)cc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 95641964 ACBMKFRUOOYOLR-ZPXGPAEQSA-N 367.445 3.516 30 40 FHEB CCOc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 19790551 LZRGNRVXZAUVJR-JCMHNJIXSA-N 357.885 3.890 30 40 FHEB C=CCNc1c2c(nc3cc(-c4cc(OC)cc(OC)c4)nn13)CCC2 4966226 XUJLOAHBCZMPOI-UHFFFAOYSA-N 350.422 3.500 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)CCCC2 11986172 ZGPUZVSBMTVZHF-UHFFFAOYSA-N 352.419 3.838 30 40 FHEB N#Cc1c(F)cccc1NCCNC(=O)c1ccc(C(F)(F)F)cc1 32923362 YYRJJVVOSDROHD-UHFFFAOYSA-N 351.303 3.558 30 40 FHEB COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 41544097 NCSPCPFNSDCVKF-CQSZACIVSA-N 358.357 3.512 30 40 FHEB COc1ccc(NC(C)=O)c(/N=C/c2cc(Br)ccc2O)c1 103751976 MTJZPTXRXMGQHW-GIJQJNRQSA-N 363.211 3.872 30 40 FHEB N#CCCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 6365348 OZJFCNDREXNVQD-UHFFFAOYSA-N 371.487 3.984 30 40 FHEB COc1cc(C(=O)/C=C/Nc2cccc([C@@H](C)O)c2)cc(OC)c1OC 409056571 HJFDUPFPDLNUBI-MMQHEFTJSA-N 357.406 3.574 30 40 FHEB CC1(C)Cc2c(C#N)c(Nc3ccc(Cl)cc3)n3cnnc3c2CO1 15106153 WNTVDTFNKSGJRK-UHFFFAOYSA-N 353.813 3.849 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1 19087959 QWDKGXLQSWSZAF-HXUWFJFHSA-N 360.413 3.695 30 40 FHEB C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 7680085 NSLYHPHYHRPBKQ-SFHVURJKSA-N 374.531 3.773 30 40 FHEB N#Cc1ccc(N2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)nc1 71889485 UOBBBXCVKVZZTK-QGZVFWFLSA-N 357.417 3.777 30 40 FHEB O=C(/C=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1ccncc1 32616854 RNGTUULBYPHCMV-OWOJBTEDSA-N 352.777 3.951 30 40 FHEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 224680130 DHPXIAVRPXYDKU-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB N#CC1(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCCCCC1 51797831 ZRYHUZKGKSECBH-KBPBESRZSA-N 374.403 3.631 30 40 FHEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1ccc2c(c1)OCO2 12374473 JEBVEWIZLLHQIY-QPEQYQDCSA-N 372.174 3.522 30 40 FHEB biogenic,in-vitro CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)CC1 20518567 GVBHAIOPSLZJFT-ODLFYWEKSA-N 350.418 3.635 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)OCCCO2 32905233 SHTBXDGUAZHOCQ-UHFFFAOYSA-N 370.408 3.895 30 40 FHEB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c1 27155030 FGHJMSJXQBRINT-HXUWFJFHSA-N 364.445 3.872 30 40 FHEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2421021 BMYCFCDZTFJAHU-UHFFFAOYSA-N 368.462 3.645 30 40 FHEB FC(F)(F)c1cnc(N/N=C/c2ccc3c(c2)OCCO3)c(Cl)c1 6047122 PSECFJYIVUTRDK-QPSGOUHRSA-N 357.719 3.971 30 40 FHEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218358382 YJENVMDAQKLNAC-IAGOWNOFSA-N 356.834 3.622 30 40 FHEB NC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 657925 LFAYQENKAXDYRV-UFWORHAWSA-N 354.262 3.740 30 40 FHEB C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 2784932 BUCLBOLCFGVLPE-LDADJPATSA-N 368.820 3.998 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 25322020 SBIQHFGJSKINGG-UHFFFAOYSA-N 353.378 3.838 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4cccc(C(F)(F)F)c4)CC3=O)[nH]c2c1 5182833 NLPCGVWVTGMPTK-UHFFFAOYSA-N 372.350 3.607 30 40 FHEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1 7350199 YJGPBNMTWLEIDH-CMDGGOBGSA-N 351.402 3.727 30 40 FHEB Cc1cc(-c2ccccc2)n(-c2cc(N/N=C\c3ccc(O)cc3)ncn2)n1 36267945 KXVFNTGUMIWUKQ-CFRMEGHHSA-N 370.416 3.789 30 40 FHEB N#Cc1cccc(NC(=O)CSc2nncc3c2[nH]c2ccccc23)c1 32761090 GZKGEDRRPSYSCR-UHFFFAOYSA-N 359.414 3.714 30 40 FHEB CC(=O)[C@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@@]1(C)O 66091573 KKHGJDYWHZQWDQ-MYGLTJDJSA-N 358.441 3.947 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCCC2 5117904 DJQFBZARNAGLPU-UHFFFAOYSA-N 372.421 3.823 30 40 FHEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc21 4485620 QCKRGTRVCZTDSX-UHFFFAOYSA-N 362.458 3.831 30 40 FHEB CC1(C)OB([C@H]2CCN(Cc3cccc(OC(F)F)c3)C2)OC1(C)C 1776007766 WMLMGBBANZBCLN-AWEZNQCLSA-N 353.218 3.956 30 40 FHEB C[C@@H]1CCCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)C1 16609099 PCKFIEFIOXESBV-LYLVPTPKSA-N 351.425 3.983 30 40 FHEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccco1)n1ncnc1N2 16996464 PQHRQKQFDLZTQA-KZULUSFZSA-N 366.808 3.940 30 40 FHEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1O 662884 NSYNQPBFPMKWQF-UHFFFAOYSA-N 354.402 3.919 30 40 FHEB C=C(Br)Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 12323775 UEDDCDUZFYYAOA-UHFFFAOYSA-N 374.238 3.810 30 40 FHEB CCOc1ccc(/C=N/OCCOc2ccccc2C(C)=O)cc1OC 23714097 CWAFGPABXNYWEC-KGENOOAVSA-N 357.406 3.726 30 40 FHEB C[C@@H](Nc1cccc(F)c1C#N)c1cc(F)ccc1N1CCC(O)CC1 78559900 FGLLOMBCTXZAKC-CYBMUJFWSA-N 357.404 3.971 30 40 FHEB CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 12922089 NFLUXGBUBGVOJF-AWEZNQCLSA-N 352.390 3.529 30 40 FHEB O=C(/C=C/c1c[nH]nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 63275692 AYAIUPIESIPTPM-DHZHZOJOSA-N 359.429 3.809 30 40 FHEB CO/N=C(\C[S@@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 5527007 RCMXYUDOJZCSBP-BIHRDVDLSA-N 351.855 3.648 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccccc1OC 4785520 MZLOZSCQBDNRFY-CCRNYGKSSA-N 352.525 3.863 30 40 FHEB COc1ccc(Br)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1 33417281 XCAAAQPFPHICAK-SXGWCWSVSA-N 350.172 3.812 30 40 FHEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218348617 BIBCGVOYESDXBK-RBUKOAKNSA-N 350.443 3.531 30 40 FHEB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 15083856 BHIIHBRYDODUQS-ZDUSSCGKSA-N 364.796 3.619 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 13751394 HQJOAVHLFQGPKP-YBEGLDIGSA-N 367.382 3.623 30 40 FHEB Cc1c(C(=O)NCCSCc2ccccc2C#N)oc2c1C(=O)CCC2 40131213 LLQBUATXFAWKMH-UHFFFAOYSA-N 368.458 3.642 30 40 FHEB CCc1ccc(/C=N/N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 2631969 VMKZUKXZHKENFD-WSDLNYQXSA-N 373.368 3.941 30 40 FHEB O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102801242 UOJKPWUROUAEFY-WOOAAIBNSA-N 374.371 3.847 30 40 FHEB C#C[C@H]1CN(C23CC4CC(CC(C4)C2)C3)C[C@@H](C#C)N1Cc1ccccc1 22581031 RZPRZMVXVOSGBW-VSWHNUGGSA-N 358.529 3.777 30 40 FHEB CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O 36093475 WWBJYSXXPCKNMT-MXWPMSCXSA-N 367.474 3.939 30 40 FHEB CCN1CCC[C@@H]1Cn1c(C)cc(/C=N/Nc2ccc(C(=O)O)cc2)c1C 36393618 OBSIQZQNHNJRBC-CCULFSDZSA-N 368.481 3.733 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCC)C(O)=NC1=S 2383070 NDBSGLLGTLURPX-DTQAZKPQSA-N 369.490 3.502 30 40 FHEB COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])o1)C1=C(CCCC1=O)N2 18197485 OWQZKVKTZHVJPX-GOSISDBHSA-N 370.361 3.770 30 40 FHEB COc1c2c(cc3c1[C@@H](/C(S)=N/c1ccccc1C)N(C)CC3)OCO2 6237995 YHVVMWZFOQHJRK-KRWDZBQOSA-N 370.474 3.921 30 40 FHEB biogenic CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 15626705 ZWGMLSXJRILODA-UHFFFAOYSA-N 359.838 3.901 30 40 FHEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc([N+](=O)[O-])o3)nc1-2 408722453 JBOWZUBDEFLORP-REZTVBANSA-N 357.347 3.963 30 40 FHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224914500 JLGOKSNHUUALNT-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB O=C(CC1CCCCCC1)N1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 1775992693 UEFMMJWHSPTXJQ-SFTDATJTSA-N 370.537 3.600 30 40 FHEB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(C#N)c3)c12 14898876 FMFDTVFROQGKPX-UHFFFAOYSA-N 357.373 3.661 30 40 FHEB C=CCc1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 21559668 OZTNFDXKQPJUST-SFHVURJKSA-N 366.461 3.830 30 40 FHEB CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(F)cc2s1 5115231 RBNIAVBKPYNKHZ-UHFFFAOYSA-N 368.437 3.515 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@@H](c3cccc(O)c3)Nc3ccccc3N2)C(=O)O1 102443794 CTTRWDJQXLVNOS-DMEQXSTQSA-N 362.385 3.645 30 40 FHEB CC(=O)SCC(=O)[C@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 9452483 LPXVNYXQAJDRIQ-VIFPVBQESA-N 358.366 3.771 30 40 FHEB N#Cc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(F)c1 22836107 VDJAJHZEGVTKLV-UHFFFAOYSA-N 361.823 3.808 30 40 FHEB CCN1C(=O)/C(=C\Nc2ccccc2)S/C1=N\Nc1nc(C)cs1 104302442 BAXTZWDZUGYMHF-QQUAUJCSSA-N 359.480 3.683 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1F 57478232 ZJZZOAZVCDCEPF-GOSISDBHSA-N 363.388 3.957 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc2c(cc1Cl)OCO2 12779404 SBTZDIGVKFCJHO-UHFFFAOYSA-N 369.764 3.885 30 40 FHEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCC)c1 5563131 FTVMZPFAEDZLMP-LJQANCHMSA-N 361.397 3.923 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 5642844 ZXXVFSSIHSKFLO-MRXNPFEDSA-N 364.474 3.998 30 40 FHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 7172120 YYRQUBPXTQVYIG-JTQLQIEISA-N 366.874 3.554 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19315181 APURBVYJKSWMFZ-SFHVURJKSA-N 370.405 3.514 30 40 FHEB C=CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC1 95459338 ZMNCSRQRTHXNFW-UHFFFAOYSA-N 358.463 3.547 30 40 FHEB N#CCOc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 408914238 OTTWRPIIDLUVFW-UHFFFAOYSA-N 368.186 3.814 30 40 FHEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 36611327 QDCAHTHAEOQOPH-GIJQJNRQSA-N 362.842 3.837 30 40 FHEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1COc1ccccc1 223681317 KOGPFDFXZFHDPF-UHFFFAOYSA-N 366.421 3.941 30 40 FHEB CN(C)c1ccc(/C=N/OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 2627570 IOCPCDYWDJXODU-HZHRSRAPSA-N 367.493 3.930 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1 6263411 UYURVQBBTJZMJX-CQSZACIVSA-N 362.355 3.955 30 40 FHEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccc(O)cc1 2266403 ZHWYYRMKYPRLLP-JJBLJPBOSA-N 358.488 3.964 30 40 FHEB CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(C#N)c1C 12807447 MDSISSCWPSLZJU-CYBMUJFWSA-N 372.446 3.819 30 40 FHEB CN1/C(=C\C(=O)C[n+]2cccc(Br)c2)C(C)(C)c2ccccc21 18045483 KUVRLBDXORIBJS-WQRHYEAKSA-N 372.286 3.617 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)cc2)n2nc(C)cc2N1 72332715 XMTUFCPGXBNONY-NRFANRHFSA-N 369.428 3.991 30 40 FHEB CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(OC)c(OC)c1 33354332 FROAGPAQFSEPRD-XDJHFCHBSA-N 370.515 3.708 30 40 FHEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/N=C/c1cccnc1 4476805 DVGYDALBMUBFKK-HMGLBJTLSA-N 365.418 3.641 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 29818880 DGLSOQNCITVBGO-UHFFFAOYSA-N 360.442 3.830 30 40 FHEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cccc2)c1 47011107 XNXSRDYOGGZOAB-UHFFFAOYSA-N 372.472 3.553 30 40 FHEB CC(=O)/C(=C\NC(=S)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 104305236 LHNZGACOOBUERQ-LFIBNONCSA-N 373.865 3.738 30 40 FHEB COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c1 7365981 GCJMVSAVGUTUGH-GOSISDBHSA-N 353.378 3.825 30 40 FHEB Cc1cc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)nc2ccccc12 35610689 FZLIENOJZQNYNA-XLNRJJMWSA-N 369.421 3.676 30 40 FHEB C/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCC1 4723231 PEHVMAXHRBDLMF-DVSFIDLUSA-N 359.495 3.586 30 40 FHEB N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 32806333 OOFAGPSMLMTSAX-GFCCVEGCSA-N 365.418 3.855 30 40 FHEB Cc1ccc(COc2ccc(/C=N\O)cc2I)cc1 216810799 XAJJXEVLGIVJKM-MFOYZWKCSA-N 367.186 3.987 30 40 FHEB CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 96102874 XCBGKPAWCCZCCK-UHFFFAOYSA-N 367.474 3.749 30 40 FHEB CC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)s1 5727614 YKDOQMWGUWJZIO-FOWTUZBSSA-N 358.872 3.503 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5884887 CZQWEUMOSBFRBV-KRWDZBQOSA-N 371.820 3.565 30 40 FHEB COC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795727 METNMSCKDDXPHG-UHFFFAOYSA-N 358.103 3.873 30 40 FHEB CCCCCCCN(C)C(=O)COCC(=O)N(C)CCCCCCC 100933151 PGVCFUIIPXUWIX-UHFFFAOYSA-N 356.551 3.861 30 40 FHEB CCOc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)CCC3)cc1OC 5397809 RJFCURQQNGJGPA-LPYMAVHISA-N 368.433 3.572 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(Cl)c3)S2)cc1 4739654 ZPSDSCBCZRZXRE-OQLLNIDSSA-N 360.822 3.946 30 40 FHEB C#CCOC(=O)[C@H](OCC#C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5613731 DCSNZONGHFZPCA-LJQANCHMSA-N 356.462 3.855 30 40 FHEB CC1CCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 4895543 SJCUPPGIPGFFGC-UHFFFAOYSA-N 364.405 3.955 30 40 FHEB Cc1ccc(-c2n[nH]c(SCC(=O)N(C)C3(C#N)CCCCC3)n2)cc1 5869044 VTOHFPDQEVPHIF-UHFFFAOYSA-N 369.494 3.557 30 40 FHEB CC(C)N(CC#CCNC(=O)Nc1ccccc1C(F)(F)F)C(C)C 75164537 XULSDWHQUSIYRF-UHFFFAOYSA-N 355.404 3.949 30 40 FHEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224782150 UCEHYNUEJNQIQW-UHFFFAOYSA-N 368.361 3.563 30 40 FHEB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CC2(C#N)CCCCC2)cc1 1118479976 YGLSTIAMOOTVNT-CQSZACIVSA-N 356.422 3.624 30 40 FHEB CC(C)=CCC/C(C)=C/C=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 17284257 XOFCQWUDZDGHDR-YYMXQEISSA-N 351.428 3.552 30 40 FHEB CC(=O)[C@@H]1[C@@H](c2ccccc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 3656972 AGDKEVSFFHBIQT-NJDAHSKKSA-N 357.388 3.816 30 40 FHEB CC[C@]1(C)Cc2c(sc3nc(NN=C(C)C)n(C)c(=O)c23)CS1 5218559 LXLXJTMICICJPS-MRXNPFEDSA-N 350.513 3.761 30 40 FHEB CCCC[N+](CC#Cc1ccccc1)(CCCC)CCCS(=O)(=O)O 3107240 BRDAFAKLAPWDNJ-UHFFFAOYSA-O 366.547 3.733 30 40 FHEB N#Cc1cc(Oc2nc3ccccc3s2)c(N2CCOCC2)cc1C#N 1296607 PTKYNGRZKVSGLF-UHFFFAOYSA-N 362.414 3.669 30 40 FHEB COc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 1471610 WEANVNPBBLEIIO-UHFFFAOYSA-N 367.474 3.880 30 40 FHEB C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 6185914 UKWMTPYFRMQPHA-UDWIEESQSA-N 367.503 3.585 30 40 FHEB CSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 5204529 YPNSSFIFPFWVTI-UHFFFAOYSA-N 365.462 3.918 30 40 FHEB CC(C)c1csc([C@H](C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 80456083 GSIVMZUYRWQYKC-CQSZACIVSA-N 355.463 3.714 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 16218079 OKYNMBNJXZQQCC-UHFFFAOYSA-N 362.307 3.915 30 40 FHEB Cc1ccc(F)c(N2CCC(Nc3ccc([N+](=O)[O-])cc3C#N)CC2)c1 96003736 SOXVHIREIJHSGZ-UHFFFAOYSA-N 354.385 3.995 30 40 FHEB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C1=O 408826011 SJVIZYVYHZIRAE-YVLHZVERSA-N 350.399 3.803 30 40 FHEB C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(-c2ccccc2)cc1 1192697962 ABYXJQHWGBZFQK-HNNXBMFYSA-N 369.428 3.824 30 40 FHEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccccc21 12436953 YBMJMNSLRMPCKO-YPKPFQOOSA-N 355.806 3.554 30 40 FHEB Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 14134587 MWTKQYVHTKWBCA-UHFFFAOYSA-N 368.849 3.982 30 40 FHEB Cn1c(C2=C(N)N(c3ccc(Cl)c(Cl)c3)CC2=O)nc2ccccc21 5214023 CTQCLNWYQPHQRU-UHFFFAOYSA-N 373.243 3.597 30 40 FHEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccccc1[N+](=O)[O-] 100495101 YFHKBFWRYLSHBW-UDWIEESQSA-N 364.409 3.542 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102407743 SZUXHYIDXWMGHZ-PJIHYRLZSA-N 371.300 3.540 30 40 FHEB Cc1ccc([C@H]2O[C@]34CCCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102715282 PKDKTLASUVQSFI-JYWFKMLOSA-N 360.417 3.894 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1cccc(F)c1 2463592 KZAXJGAONTXUKH-GOEBONIOSA-N 374.437 3.594 30 40 FHEB Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/NC(N)=S)cc2)c1 4511054 GTEHLXYXEYIBGD-LPYMAVHISA-N 371.506 3.743 30 40 FHEB C[C@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16159109 CNAIHFCEAWSIBT-NSHDSACASA-N 358.419 3.666 30 40 FHEB CCOc1cccc(/C=N\Nc2nc3ccccc3s2)c1OCC(=O)O 409212412 PSOJFINSYBIGBD-GRSHGNNSSA-N 371.418 3.604 30 40 FHEB COc1cc(N2CCOCC2)ccc1/C=N/c1cc(C(=O)O)ccc1Cl 409233780 XDXBTJNTRUPYSG-CIAFOILYSA-N 374.824 3.634 30 40 FHEB O/C(=N\c1nnc(CCN2CCCCC2)s1)c1cccc(Cl)c1 49713932 IESHYRDTZCVLQB-UHFFFAOYSA-N 350.875 3.856 30 40 FHEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)C[C@H](C)C#N 48363428 XMFYWWBTQZCQQF-ATWMFIQVSA-N 370.884 3.833 30 40 FHEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)c1 223738278 NVCXBBXEKSVRJK-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 20947400 XLTHZSZBJKZWES-NRFANRHFSA-N 363.461 3.779 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cccc(OC)c21 100909837 GUMYVMWJUVYXJA-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 60089250 ZKVBTQVEHGBTEP-QFIPXVFZSA-N 370.468 3.938 30 40 FHEB CCOc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1 907357 WDLQQPKPMMWLMR-UHFFFAOYSA-N 367.430 3.507 30 40 FHEB C/C(C(=O)c1ccc(F)cc1)=[N+](/[O-])[C@@H](/C(=N/O)c1ccccc1)C(C)C 102159053 FRHDJPGUKQJNGY-SKECTWFPSA-N 356.397 3.883 30 40 FHEB CCc1nnc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)s1 4125312 FXLFYEBFKZMFFW-UHFFFAOYSA-N 369.475 3.560 30 40 FHEB C/C(=N/OC(=O)CCC(=O)O/N=C(\C)c1cccs1)c1cccs1 17185901 QEKLOJCALJWSAO-MJZABRMRSA-N 364.448 3.824 30 40 FHEB N#Cc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 24966442 GAVXNTNHGZJKRB-UHFFFAOYSA-N 365.389 3.814 30 40 FHEB CC(C)O[P@@](=O)(C1=C(O)C(=O)C(C(C)(C)C)=CC1=O)c1ccccc1 1446118 BDNUFCZNBOTXEB-RUZDIDTESA-N 362.362 3.909 30 40 FHEB COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1OC 24506794 DGTZLCPIRKHXKI-UHFFFAOYSA-N 363.335 3.504 30 40 FHEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C(C)C)cc1 5690184 SPOHOLGIFJAILQ-INIZCTEOSA-N 359.451 3.509 30 40 FHEB N#Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 408844143 CESRNPPMWYLYQU-YBFXNURJSA-N 360.211 3.501 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)cc1 35647145 JWAIBJHMJHRPEQ-LFIBNONCSA-N 368.414 3.675 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 409133150 MSFBPKUYDQYAHL-LDADJPATSA-N 368.820 3.998 30 40 FHEB CC(C)NC(=O)CSc1nc(-c2cccnc2)c2c(c1C#N)CCCC2 36656479 WAXIJJJWEQYOHQ-UHFFFAOYSA-N 366.490 3.511 30 40 FHEB CC(C)(C)OC(=O)N[C@@H](C=O)Cc1ccc(OCc2ccccc2)cc1 136878304 SLSOSKGFUOFMCP-GOSISDBHSA-N 355.434 3.900 30 40 FHEB C/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(Cl)ccc1O 4673368 GYBHFNFDMQLCFN-CIAFOILYSA-N 355.825 3.984 30 40 FHEB Cc1nnc(/N=C2\S/C(=C\c3ccnc4ccccc34)C(=O)N2C)s1 54360869 QUNBWJIXQWVJLC-YPFSYJIWSA-N 367.459 3.629 30 40 FHEB CCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)s1 48418339 NFXTUBFHXNVYJW-UHFFFAOYSA-N 358.872 3.751 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12901995 DGTAGJUBVMXECF-OAHLLOKOSA-N 364.879 3.727 30 40 FHEB C=CCN(CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 8164312 RMRKOBPNZOVDRP-UHFFFAOYSA-N 351.884 3.961 30 40 FHEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 28896331 YZXZCUAMBYLKCL-FCSDKFEESA-N 363.505 3.612 30 40 FHEB C=CCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974778 DVUNBWCYHWPQGU-UHFFFAOYSA-N 365.396 3.795 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)c(C)c1 223757218 URAZEDIVGZEMDM-XLNRJJMWSA-N 355.438 3.721 30 40 FHEB O=C1Oc2ccccc2C(=O)/C1=C\NCCn1ccc2c(Cl)cccc21 1547201183 YWYACKQMCHUYHV-NTCAYCPXSA-N 366.804 3.570 30 40 FHEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 13124102 DJASFOSCTMEIDT-ATVHPVEESA-N 353.447 3.653 30 40 FHEB CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4956553 XSJKQGKTYSCLDB-RXSWUABFSA-N 367.474 3.939 30 40 FHEB CCN(Cc1ccccc1)c1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 40122658 WSNNCYHLUMKLBW-UHFFFAOYSA-N 360.417 3.756 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccco1 6188347 NGNBJUGXFJGHJI-CQSZACIVSA-N 352.371 3.519 30 40 FHEB CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4436276 ANBUWIJDJADGSB-MRXNPFEDSA-N 354.479 3.967 30 40 FHEB O=[N+]([O-])c1ccccc1NCC/N=C/c1cc(Br)ccc1O 4687849 XQHLAIPXRSUODU-LICLKQGHSA-N 364.199 3.594 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1N2)OCO3 18197411 ZHINEQCENCJWFK-HXUWFJFHSA-N 363.369 3.709 30 40 FHEB Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1C 6784424 HSPJDVBTGKAIAJ-UHFFFAOYSA-N 359.882 3.940 30 40 FHEB C=CCN/C(S)=C(\C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 16035628 FGSJRKLNLKKYMY-UHFFFAOYSA-O 366.293 3.995 30 40 FHEB O=C(O)/C=C/[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949874 QCNGZWCULVQJNP-ROFOPDMZSA-N 356.087 3.662 30 40 FHEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2 585107224 RRHLTZCCAOJKEG-QFIPXVFZSA-N 364.493 3.742 30 40 FHEB CCCOc1c(Cl)cc(/C=N/NC(=S)NC(C)C)cc1OCC 7040568 ZAFLHFIGKUTTEM-VCHYOVAHSA-N 357.907 3.734 30 40 FHEB CC(C)=NO[C@@H](CCOC(=O)c1ccccc1)COC(=O)c1ccccc1 5062787 AHZMRBBWZBCVQV-IBGZPJMESA-N 369.417 3.872 30 40 FHEB CC1CCN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 5554268 PYBDOOXQGIMDOF-KRWDZBQOSA-N 350.462 3.529 30 40 FHEB Cc1oc(C)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1C 8420432 XBILETGKSRSILV-UHFFFAOYSA-N 358.419 3.616 30 40 FHEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 4028262 JQWISHUBSOEHDO-XKCSPQBFSA-N 370.513 3.564 30 40 FHEB CCCc1nc([C@H](C#N)c2ccccc2)c2nnn(Cc3ccccc3)c2n1 4985493 PEIJILUGCZVMHJ-GOSISDBHSA-N 368.444 3.878 30 40 FHEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 100397916 PHYLCCCGGLSATE-ZIHVZMLCSA-N 372.852 3.765 30 40 FHEB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(CC#N)cc1 8126280 AVBMFMJNKVYFRG-LBPRGKRZSA-N 359.223 3.921 30 40 FHEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 2322637 IUYNOHCDQWSYCD-OWCLPIDISA-N 366.465 3.671 30 40 FHEB COc1ccc(Br)cc1/C=N/N1C(=O)C[C@H]1c1ccccc1 59186801 MJMUWLPNBUSHGL-BKQORJHRSA-N 359.223 3.765 30 40 FHEB C=CCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724217 USZLSODSBDZSBN-RNODOKPDSA-N 355.821 3.579 30 40 FHEB N#Cc1c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cn2ccccc12 14901621 PIGLNQXPDSWQGR-UHFFFAOYSA-N 369.211 3.876 30 40 FHEB N#C[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 89851255 XLDBUQYGWYLODC-CYBMUJFWSA-N 359.414 3.932 30 40 FHEB C=CCc1cc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)ccc1OC 218659856 FOABJGMRJDQNLF-UHFFFAOYSA-N 363.417 3.712 30 40 FHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218471928 YRKGDMLBZLAJFA-UFYCRDLUSA-N 373.449 3.620 30 40 FHEB CN(Cc1ccccc1)c1nn(-c2ccc(Br)cc2)nc1C#N 256046132 CZCWDJPJBNKHCM-UHFFFAOYSA-N 368.238 3.538 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7017368 DZNYSRJUJSZSSA-CYBMUJFWSA-N 350.374 3.569 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 4473970 WCNOMTXXYDUQJZ-KYZQYKSOSA-N 374.440 3.770 30 40 FHEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 20533501 VQPIQPNNLWOARI-KVMVOAJRSA-N 350.418 3.778 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 104126583 NFQOZZXITLZMLG-LFVOPCPISA-N 374.371 3.847 30 40 FHEB N#Cc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c1 3274561 VCEOKYITYMLNJO-UHFFFAOYSA-N 363.200 3.589 30 40 FHEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1cccc(F)c1 27299543 JMLTWETXXXBEBZ-UHFFFAOYSA-O 370.835 3.820 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 12868470 NAQFBRXPTWQRQR-UHFFFAOYSA-N 374.404 3.828 30 40 FHEB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 3901589 KJOYYSABLGJKAE-LJQANCHMSA-N 355.434 3.616 30 40 FHEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ncc[nH]2)cc1 18197027 XCSKQFQZPJEAKX-IBGZPJMESA-N 359.433 3.777 30 40 FHEB Cc1cc(-c2csc(NC(=O)COc3ccccc3C#N)n2)c(C)n1C 5262133 VQFZPGWSMLJPME-UHFFFAOYSA-N 366.446 3.655 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1cc3c(cc1N2)OCO3 18196719 IBGKJJIBRYRAPT-IBGZPJMESA-N 364.357 3.888 30 40 FHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 8565369 YRSKPKJWAXSMMS-CQSZACIVSA-N 371.487 3.674 30 40 FHEB C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])C1 4895546 JKVYIZSBBXWJHC-CQSZACIVSA-N 364.405 3.955 30 40 FHEB N#CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 23228523 BDNDCKBRXVIMTI-UHFFFAOYSA-N 350.296 3.625 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@@H]2CCSC2)c1 225720440 PYJPCVYMBHZJCP-CQSZACIVSA-N 359.838 3.743 30 40 FHEB Cc1cc(/C=N\N2C(=O)CSC2=S)c(C)n1-c1ccc(Cl)cc1 145923175 QVBSTEULUWGTQY-LSCVHKIXSA-N 363.895 3.942 30 40 FHEB CC(C)(Oc1ccccc1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1776007583 NCXLOIVQXGWMKN-HNNXBMFYSA-N 359.275 3.539 30 40 FHEB CCOc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)cc1 19849398 VLRHMUSQPRNDPO-KQWNVCNZSA-N 351.494 3.854 30 40 FHEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C)nn32)cc1 19959702 GFBHDWRSJFRKMY-RNODOKPDSA-N 365.481 3.701 30 40 FHEB Cc1csc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)n1 15776020 KSZAABFHGJDMLT-UHFFFAOYSA-N 357.460 3.699 30 40 FHEB COc1cc(/C(C)=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1O 20158463 NZUFXICBKOAXQH-PXLXIMEGSA-N 373.884 3.596 30 40 FHEB O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)Nc1ccc(Cl)cc1 1726185 HYBZYNWYOZDMIE-UHFFFAOYSA-O 366.828 3.519 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 4888822 ZMXZUQGYBSJGQZ-APOTWCRESA-N 371.437 3.688 30 40 FHEB COc1cc(/C=N/O)c(Br)cc1OCc1ccc(F)cc1 6735521 UZUBJXXESHVAHH-QGMBQPNBSA-N 354.175 3.984 30 40 FHEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@H](O)[C@@H](C)O 100068172 GNLNRQZETOCIRZ-KHZSKIHSSA-N 373.578 3.648 30 40 FHEB C#CCN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)[C@@H]1CCc2ccccc21 52845824 ACNUNXDGGOLADL-GOSISDBHSA-N 369.424 3.792 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9233770 WWOOGJHGYNKGIS-INIZCTEOSA-N 350.418 3.551 30 40 FHEB Cc1cc(N2CCCC2)ccc1/C=N/NC(=S)NCc1ccccc1 980705 GIWLFCCLEJGWDR-PXLXIMEGSA-N 352.507 3.593 30 40 FHEB CCCCCCCCNC(=S)Nc1cc(S(=O)(=O)CC)ccc1O 59662642 INSXOIYDCPHJAH-UHFFFAOYSA-N 372.556 3.833 30 40 FHEB CCO/C(=N\C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)SC 105931320 ITMNAYZGIUAZCE-KEGYOGFESA-N 362.476 3.578 30 40 FHEB Cc1nc(SCC(=O)N[C@@H]2CCOc3ccccc32)c(C#N)c(C)c1C 12783513 ANPIGZNZCFOZHU-QGZVFWFLSA-N 367.474 3.611 30 40 FHEB CCc1ccc(C2=NN/C(=N/Cc3ccc4c(c3)OCO4)SC2)s1 11113983 SYCXPSUMBVMZHC-UHFFFAOYSA-N 359.476 3.636 30 40 FHEB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)n1 65540691 BZKUOPDVUVWFIJ-UHFFFAOYSA-N 366.808 3.967 30 40 FHEB CC(C)c1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738548 STTCSXQUCAZWBA-CBVHTYNASA-N 367.380 3.551 30 40 FHEB COc1ccc(O)c(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1 4155029 QCMYZRRWSJJQHR-ZVBGSRNCSA-N 354.435 3.730 30 40 FHEB O=C(O)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 8084389 RJGMXSMSZKTBHJ-UFWORHAWSA-N 353.256 3.758 30 40 FHEB O=S(=O)(/N=C(/Cl)c1ccccc1)c1ccc(Br)cc1 12504573 CFRCKJJVYIMSFW-DTQAZKPQSA-N 358.644 3.823 30 40 FHEB N#Cc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 2661214 CHQLPOVVBHDJTD-UHFFFAOYSA-N 373.199 3.826 30 40 FHEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 16623881 CVSOXFGMPVUBEO-AWEZNQCLSA-N 367.415 3.868 30 40 FHEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)o1 3329442 VBFROQAMNQQKEW-UHFFFAOYSA-N 372.446 3.894 30 40 FHEB N#CCSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 3492123 JTAHOCYKFFCOMM-UHFFFAOYSA-N 361.352 3.964 30 40 FHEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 408739585 CUOAYNDMOARSRW-FVOVHSBVSA-N 356.769 3.989 30 40 FHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@H]1c1ccccc1 5347054 DAMQWNHUFUPKJX-KRWDZBQOSA-N 372.384 3.772 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 5642634 KIFHUUQEWSOLHJ-HNNXBMFYSA-N 351.475 3.636 30 40 FHEB Cc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1 6785756 QLFQYEDTPKEPQK-UDWIEESQSA-N 360.446 3.815 30 40 FHEB COc1ccc(-c2cc(C#N)nc(N/N=C(\C)c3ccccc3O)n2)cc1 4857611 BUUSJIIWAFQDEW-ZMOGYAJESA-N 359.389 3.566 30 40 FHEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/O)cc2Cl)cc1 409045099 FAZRSVAFHWEEEL-CAOOACKPSA-N 360.218 3.878 30 40 FHEB N#Cc1ccccc1CO/N=C/c1ccccc1I 408594481 HJYUCLHYERPZGK-VCHYOVAHSA-N 362.170 3.714 30 40 FHEB C=CCSc1ccccc1C(=O)N1CCN(c2ccccc2OC)CC1 219798645 YUSLLOOCONAGRR-UHFFFAOYSA-N 368.502 3.936 30 40 FHEB S=C(N/N=C\c1ccccc1Cl)N/N=C\c1ccccc1Cl 95934638 FUUVSZMLLGHFDE-JZAWIKSFSA-N 351.262 3.826 30 40 FHEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)ccc1O 3123037 INYIFQCNDLVPRJ-CBVHTYNASA-N 356.809 3.730 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4O[C@@]4(C(C)C)C[C@]3(O)CC[C@H]21 104133750 NIVDSAIYKQNARX-CQXMAPHCSA-N 350.499 3.701 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2C1=O 9690211 QIBMZJQUNBCPTE-UHFFFAOYSA-N 358.756 3.513 30 40 FHEB COC[C@@H](C)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 24754971 SMNSAWDLAJFFFJ-CQSZACIVSA-N 365.458 3.768 30 40 FHEB CCCCNc1ccccc1C(=O)OCC(=O)Nc1sccc1C#N 3366813 VVTCSHFZWXNWKT-UHFFFAOYSA-N 357.435 3.627 30 40 FHEB CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 2347236 NRBHCSIBRSJHSG-HSWSJEDYSA-N 357.435 3.532 30 40 FHEB N#Cc1c(COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn2ccccc12 48300824 BAVVLCSXSIMBBJ-UHFFFAOYSA-N 360.348 3.697 30 40 FHEB C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CC(=O)C[C@@H]21)CC(=O)O 67913342 XKXZAYIPFRBKHT-JOXYBWGKSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro C=CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224627557 DJHXVAVSBFGGPV-UHFFFAOYSA-N 350.462 3.777 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)COC)cc1 225656203 ZXLUHYLSZXMKSA-NJYVYQBISA-N 369.486 3.654 30 40 FHEB COc1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 17196996 XRSINPISRKXUKH-IWGRKNQJSA-N 364.465 3.830 30 40 FHEB C=CCN1CCC[C@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19530053 XUCVLPVQZZMZCF-WIYYLYMNSA-N 374.456 3.540 30 40 FHEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=C(O)C(=O)[C@@]3(C)[C@@H]1C2 514288110 ORKFUAJHKSRPFC-JYCRGQCZSA-N 360.450 3.838 30 40 FHEB biogenic,in-vitro CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1 102623354 WOQNFIGANJVPAY-LFVOPCPISA-N 365.429 3.917 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cccc(F)c2C)c1C#N 6961404 UCSLFNWARJDRQF-UHFFFAOYSA-N 359.426 3.586 30 40 FHEB C=CCN(C(=O)CCNC(=O)c1ccsc1)c1nc2ccccc2s1 24865601 GGGBXVYUWPISOU-UHFFFAOYSA-N 371.487 3.697 30 40 FHEB COC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1 18031093 IYDWOCVCABEZON-OCKHKDLRSA-N 366.186 3.891 30 40 FHEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)C2=O)o1 13693338 SBNGXPMHXXRXBN-HBFFOVPNSA-N 367.401 3.535 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(Br)c1 111914008 NQBKPLBXNRRJPQ-XDJHFCHBSA-N 357.211 3.640 30 40 FHEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 7634121 COFQMPSPWUBTHR-SNVBAGLBSA-N 370.450 3.898 30 40 FHEB C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 9117721 VMVSTDSOEITFFC-MRXNPFEDSA-N 351.450 3.658 30 40 FHEB C=CCn1c(SCCN2CC[C@@H](C)C2)nnc1-c1ccccc1OC 75108802 PXVSQGFKCFZMSK-OAHLLOKOSA-N 358.511 3.574 30 40 FHEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)N1C 408930158 SSIFXIQVSDLHIZ-QSAFIDALSA-N 355.463 3.635 30 40 FHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 224908349 BAQDKJWJHYUUDX-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB Cc1ccc(S(=O)(=O)O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 146667189 FUDMVFNEBLKJIF-XLIONFOSSA-N 359.491 3.611 30 40 FHEB N#Cc1nc(C2CCCCC2)oc1NC[C@@H](c1ccco1)N1CCOCC1 1775976463 MZIOIQMBPGXEOH-KRWDZBQOSA-N 370.453 3.672 30 40 FHEB Cn1c(=O)n(C)c2cc(Nc3c(C#N)cnc4c(Cl)cccc34)ccc21 1611872747 PDXCNKMBXOHLFL-UHFFFAOYSA-N 363.808 3.694 30 40 FHEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 2068600 XUYIEWOPTWEJPG-PTNGSMBKSA-N 371.443 3.773 30 40 FHEB O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1ccccc1 4039492 ARIPLIRHYNVNGN-KEBDBYFISA-N 359.216 3.985 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2c1 1223597 HOWJFDGEKCZKPL-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O 12321076 ASYUOBMBRVYBNW-UHFFFAOYSA-N 353.422 3.698 30 40 FHEB N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2230220 PSTDEJUWNUMCDY-UHFFFAOYSA-N 353.472 3.942 30 40 FHEB CN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1 2440620 RBXUGGQLYATKSV-UHFFFAOYSA-N 374.444 3.544 30 40 FHEB C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1 8748460 OJMQZVBQQCIMOP-MRXNPFEDSA-N 368.437 3.589 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)c1 7702244 VREHFZBGERDPOM-GOSISDBHSA-N 354.456 3.688 30 40 FHEB CN(C)CC(CN(C)C)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1584560 ZSEBEHIYUDUVEO-NTCAYCPXSA-N 366.505 3.587 30 40 FHEB N#Cc1cc(Br)cnc1N1CCC(C#N)(c2ccccc2)CC1 2086868780 HHHDVHBINWBOTG-UHFFFAOYSA-N 367.250 3.778 30 40 FHEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OC 696119 OUOJHWHWFLYEOT-UHFFFAOYSA-N 373.202 3.929 30 40 FHEB COc1ccc(C(=O)/C=C/Nc2ccc(N3CCC(=O)CC3)cc2)cc1 1381944 HSDVEEYLPJOMBF-JLHYYAGUSA-N 350.418 3.673 30 40 FHEB C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 43867396 YWCKIQCRKHNUOY-FQEVSTJZSA-N 363.413 3.782 30 40 FHEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@@H](O)[C@@]12F 118933049 ZVKKSLFHXTYQQE-ARWQPOGFSA-N 350.474 3.578 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)N[C@H](C)c1ccccc1 408560171 CGNXTFSNJDJHKQ-OAHLLOKOSA-N 358.511 3.776 30 40 FHEB COc1cc(/C(C)=N/Nc2ccc(C(=O)O)cc2)ccc1OC(F)F 7890459 OYWJXOMOJQDWAF-KEBDBYFISA-N 350.321 3.831 30 40 FHEB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C#N 8130942 LVWJNDVHAOMLEH-AWEZNQCLSA-N 355.413 3.555 30 40 FHEB CC(=O)CSc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N 9355627 JVSIDJABLJJWPR-UHFFFAOYSA-N 370.377 3.946 30 40 FHEB CCN(CCC#N)c1ccc(CNC[C@@H](c2ccco2)N(C)C)c(C)c1 89969184 RLPNWGWHHVPNLX-FQEVSTJZSA-N 354.498 3.721 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1occc1C 409292663 HWLDNAFANNCBTF-UHFFFAOYSA-N 360.211 3.505 30 40 FHEB Cc1ccsc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 408787540 BPKFHCIOAZMCSH-DNSBCFGZSA-N 358.444 3.989 30 40 FHEB C=CCSc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 223461031 PHVLAFBSISGZFJ-UHFFFAOYSA-N 361.492 3.503 30 40 FHEB COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1Cl 222980267 LMBDIGQZWSEKIR-UHFFFAOYSA-N 362.838 3.705 30 40 FHEB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(C#N)cc2)c1 40285435 ZFZMYXUEKMXMAD-MRXNPFEDSA-N 374.400 3.885 30 40 FHEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)C2=O)o1 13693337 SBNGXPMHXXRXBN-VRKJEAOJSA-N 367.401 3.535 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(OCC2CCOCC2)c1 244969099 GYHKVOGAPXWKEW-UHFFFAOYSA-N 371.824 3.664 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccccc1 40159372 FYGMVDRDEPKLPS-INIZCTEOSA-N 370.522 3.870 30 40 FHEB CN1C(=O)/C(=C/c2ccc3ncccc3c2)S/C1=N/c1nccs1 102758237 PJBRCJCPSCFPPR-CJXQYUSSSA-N 352.444 3.925 30 40 FHEB O=C(/C=C/c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 100508874 HDMHSGCTVDZECL-QFCHGOTFSA-N 369.420 3.894 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717939 OBDUPUIMCQSOHW-AWEZNQCLSA-N 370.836 3.896 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(Cl)c21 100910336 HBWDCWJBBZOENW-ZPHPHTNESA-N 371.805 3.639 30 40 FHEB C=CCNC(=O)CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 27020194 YYEDWUJVIWTCFW-VBKFSLOCSA-N 374.531 3.704 30 40 FHEB CC(C)OP(=O)(OC(C)C)/C(C=O)=N\Nc1ccc([N+](=O)[O-])cc1 13764542 YJLCBEWPJGDRSK-PEZBUJJGSA-N 357.303 3.562 30 40 FHEB COc1cc(/C=N/Nc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 4703214 VXALRMIGDXRPDS-RQZCQDPDSA-N 358.379 3.668 30 40 FHEB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(F)cc3C#N)cc2)n1 20293610 ZHABTNNXMMUKOW-UHFFFAOYSA-N 367.409 3.669 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(OCc3cscn3)cc2)cc1 9165410 QOZOFTULVSBTCP-UHFFFAOYSA-N 350.399 3.951 30 40 FHEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 408534145 LNLCZJDVZMGHOY-MRXNPFEDSA-N 369.808 3.558 30 40 FHEB COc1ccc2cc(CN(C)C(=O)COc3ccc(C#N)cc3)ccc2c1 7890349 ZLVFLURZZINNHT-UHFFFAOYSA-N 360.413 3.757 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/CCOc3c(C)cccc3C2=O)cs1 96793933 SFHUGKUJABQOJO-UVTDQMKNSA-N 356.447 3.873 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C(=O)N1C 408929930 PVASSVXQAFMCJM-HZMZRVLWSA-N 363.442 3.669 30 40 FHEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]21C 31703135 VRTQRHLAZBBCKG-DSWGTCOTSA-N 352.902 3.602 30 40 FHEB COc1ccc(-c2ncc(C(=O)Nc3ccc(CC#N)cc3)c(C)n2)cc1 226096117 YCEARYXERLPHAU-UHFFFAOYSA-N 358.401 3.779 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)n1 22357309 IKKYNDVNLMORPQ-GBXSZLQWSA-N 360.822 3.538 30 40 FHEB C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041373 KWRPSCXTQYTSBI-UHFFFAOYSA-N 371.651 3.773 30 40 FHEB COc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1 27793006 SWHLTAXXDJJEHU-MRXNPFEDSA-N 352.394 3.530 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1Cl 4676071 KBHGEHXLIGVGMD-UKTHLTGXSA-N 366.225 3.675 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 4680521 BKRYHQSBXDMARZ-KPKJPENVSA-N 371.245 3.665 30 40 FHEB N#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 5886263 DZNDOUUMUTVNKB-UHFFFAOYSA-N 350.378 3.709 30 40 FHEB N#CCCN(CC(F)(F)F)C(=O)COc1ccc(Cl)cc1Cl 72306448 VICGSBORIREUJJ-UHFFFAOYSA-N 355.143 3.677 30 40 FHEB CC(C)(C1CCC(OC[C@H]2CO2)CC1)C1CCC(OC[C@@H]2CO2)CC1 31372454 GZPRASLJQIBVDP-LRSVDANFSA-N 352.515 3.961 30 40 FHEB O=C(/C=C/c1ccco1)c1ccccc1NS(=O)(=O)c1ccccc1 35684049 QKMYPDOSVUAIKV-OUKQBFOZSA-N 353.399 3.977 30 40 FHEB N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 32806334 OOFAGPSMLMTSAX-LBPRGKRZSA-N 365.418 3.855 30 40 FHEB Cc1nc(C(C#N)(C#N)CC(=O)c2ccccc2)c(C#N)c2c1CCCC2 95117555 PNPLGHSPXLWDTB-UHFFFAOYSA-N 354.413 3.698 30 40 FHEB C=CCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 42470274 DTHYQCLYKHRAJP-INIZCTEOSA-N 373.522 3.831 30 40 FHEB COc1ccc(Cl)cc1/C=C\C=N/NS(=O)(=O)c1ccc(C)cc1 16920257 ITYQUAAVXBAENZ-IZOIPUOYSA-N 364.854 3.635 30 40 FHEB Cc1nc(C2CC2)nc(OCC2CCN(c3cc(C#N)ccn3)CC2)c1C 1888870200 YILQKCIRDLTEMY-UHFFFAOYSA-N 363.465 3.533 30 40 FHEB COc1ccc(/C=N/c2ccc(I)cc2)cc1O 100003550 BKMALZGAAYBEKI-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB Cc1ccc2c(c1)NC(=O)/C(=C\C(=O)c1ccc(Br)cc1)N2 100133586 BLGCYIULDJETRQ-OQLLNIDSSA-N 357.207 3.888 30 40 FHEB CC(C)=CCC/C(C)=C\C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 8613518 XOFCQWUDZDGHDR-AMHNRXTASA-N 351.428 3.552 30 40 FHEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 623104 WSMUTPHEZWQRES-UHFFFAOYSA-N 364.474 3.540 30 40 FHEB COc1ccccc1NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2 727978 HLWCAIKBEONNBV-UHFFFAOYSA-N 367.474 3.880 30 40 FHEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c(OC)c1 20672639 JWAHWIUOYUGCFM-HXUWFJFHSA-N 363.417 3.931 30 40 FHEB C=CCc1cc(C(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1OC 20044302 GKLPSALOAJOHDP-UHFFFAOYSA-N 361.445 3.848 30 40 FHEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 3898344 NYUZHMQVYLUUKJ-XDHOZWIPSA-N 351.318 3.853 30 40 FHEB Cc1cc(Br)cc(Cl)c1OCC(=O)NC1(C#N)CCCC1 5168695 HUQPPCFCDZVTFY-UHFFFAOYSA-N 371.662 3.742 30 40 FHEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 6219071 FXFURKUDHYRVQO-UHFFFAOYSA-N 364.521 3.779 30 40 FHEB C#CCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC 15352724 GCFBTCPDUOZPIP-RMKNXTFCSA-N 352.386 3.708 30 40 FHEB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1C#N 18435200 HFKGRZFJUZNSHV-GFCCVEGCSA-N 365.462 3.650 30 40 FHEB CN(CCO)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 7448323 HQTSXKVQRHKVGZ-NYYWCZLTSA-N 360.251 3.774 30 40 FHEB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccc(C#N)c1 8170424 LVCQGNSNWLRHMT-UHFFFAOYSA-N 372.266 3.700 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 409139084 MEPHTAFVPFUMRO-UHFFFAOYSA-N 354.475 3.783 30 40 FHEB Cc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCCC3)nc2c1 35315467 FXBFBQNELGSHKC-UHFFFAOYSA-N 350.466 3.913 30 40 FHEB C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 331623561 YCYWCJQSDJNDAH-RHSMWYFYSA-N 350.459 3.622 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 5408134 JUEZCJWSAPYEMN-KRWDZBQOSA-N 370.836 3.969 30 40 FHEB COC(=O)CCc1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCC=O)O2 2037873419 IRVXHNVNBKMNTP-LPNJYYIDSA-N 360.450 3.779 30 40 FHEB CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 51366859 XSJKQGKTYSCLDB-MXWPMSCXSA-N 367.474 3.939 30 40 FHEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 6654230 LUAOTVHKSNPFGF-GXFFZTMASA-N 374.487 3.671 30 40 FHEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 32904777 IODGPPIGWHYWEX-UHFFFAOYSA-N 358.463 3.527 30 40 FHEB COc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1 9310442 ZCCRIICNQHQALC-MHWRWJLKSA-N 352.440 3.973 30 40 FHEB COC(=O)c1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 12562375 FUURKUZEAOUIRR-QPSGOUHRSA-N 357.719 3.986 30 40 FHEB C=CCNc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)s1 8328922 BQBDPZUQARTXHV-UHFFFAOYSA-N 355.872 3.853 30 40 FHEB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c1 27155027 FGHJMSJXQBRINT-FQEVSTJZSA-N 364.445 3.872 30 40 FHEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccc2c(c1)OCO2 3357958 XPZDEGLEXUALLX-UHFFFAOYSA-N 374.396 3.956 30 40 FHEB C=CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 4498578 FBSSWHXMEYFXOF-JXAWBTAJSA-N 356.491 3.984 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C(=O)N1C 408930330 VMVDSBAGIMGKKC-LLPDMMGZSA-N 368.458 3.806 30 40 FHEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncs1 95953368 UDTQOUABZUYLGQ-JTQLQIEISA-N 350.494 3.663 30 40 FHEB C/N=C1\S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1C 408780784 KJMKGERZEWNFFF-LTVWWZOSSA-N 370.459 3.839 30 40 FHEB C[C@]12C=C/C(=N/OCC(=O)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 36493758 RLZYCYTZQGHRMD-LBSQEVOPSA-N 373.493 3.933 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1ccccc1 223664695 VJFKQNKFYZWFLT-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nnc(C)s1 44085676 NSTOPDQGZBLZQG-UHFFFAOYSA-N 371.491 3.627 30 40 FHEB N#CCOc1ccccc1/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O 15229408 BJWSLDFWENQTBG-LFIBNONCSA-N 353.378 3.620 30 40 FHEB Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCC2 2781546 WMSJIMAFQNIGTQ-UHFFFAOYSA-N 370.812 3.843 30 40 FHEB COc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1OC 23881477 JLKDKEUVUBIRDN-UHFFFAOYSA-N 358.397 3.751 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 12846045 YAYQGXXWSXNROF-UHFFFAOYSA-N 373.412 3.857 30 40 FHEB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccccc1C#N 6558498 VTLUHIWPIJZFHH-LHNRBYRGSA-N 371.396 3.690 30 40 FHEB C[C@@H]1CCc2c(sc(/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)c2C#N)C1 6764143 SVFHWFOZZAWGOL-SECBINFHSA-N 366.402 3.726 30 40 FHEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(-c3ccccc3)cc2)[nH]n1 6785966 OZUREMARXCVECJ-UDWIEESQSA-N 360.446 3.815 30 40 FHEB CC(=O)c1ccccc1OCCSCC(=O)Nc1ccccc1C#N 5936643 APRZOWCBRNHYBN-UHFFFAOYSA-N 354.431 3.512 30 40 FHEB Cn1c2ccc(Br)cc2c2nnc(SCCCC#N)nc21 7468592 ZMANMNTYIWDWMF-UHFFFAOYSA-N 362.256 3.675 30 40 FHEB CCCCCCCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 408560173 CKRKCBRSIIDQSY-GFCCVEGCSA-N 367.544 3.904 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2O)C[C@H]1c1ccc(OC)cc1 34600535 DXKGQBZQPLPKPY-GHTZIAJQSA-N 366.413 3.720 30 40 FHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218373139 AIUKZDUSEVHBEA-ACRUOGEOSA-N 369.486 3.790 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 847814 TWRBMNAHAUGVAX-FBCYGCLPSA-N 350.256 3.946 30 40 FHEB O=S(=O)(/N=C(\Nc1nccs1)c1ccc(F)cc1)c1ccccc1 6250905 YBRFPDDLQBWNAL-UHFFFAOYSA-N 361.423 3.530 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 32935757 XNPVSWTXSBZQMC-IBGZPJMESA-N 358.438 3.907 30 40 FHEB CC(C)C/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 18032194 NWWONWKVIULFNP-DNTJNYDQSA-N 368.384 3.869 30 40 FHEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)o1 796002 HNAMOXUUIRHCSF-GOSISDBHSA-N 363.369 3.960 30 40 FHEB C=CC/N=C/c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 2820655 PRNFFNJPDQOUBR-UFWORHAWSA-N 352.341 3.811 30 40 FHEB COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 24134254 ZQOXBCGODJLSDG-SFHVURJKSA-N 353.378 3.825 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1OC(F)F 12728912 FEXLLHRCBZJWSC-UHFFFAOYSA-N 371.343 3.782 30 40 FHEB N#C[C@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 5100305 YEXBJCKLEBUEBF-KRWDZBQOSA-N 372.428 3.581 30 40 FHEB COc1ccc(/C=N/N=c2/scc(-c3ccc(OC)cc3)n2C)cc1 5242428 IXNAWWVXFOBASD-IHBSRWQLSA-N 353.447 3.706 30 40 FHEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)c1C 5551721 POSATMGZDJDXJM-MFOYZWKCSA-N 352.415 3.924 30 40 FHEB COc1ccc(Cn2nc(OCc3cccc(Cl)c3)c(C#N)c2N)cc1 225848103 ZHHGBLIBYDIUGE-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB C=CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(CC)nn2c1C 40384998 ACYMGUIREDEMIA-UHFFFAOYSA-N 356.813 3.658 30 40 FHEB C[C@@H]1COc2ccccc2CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 611799164 CQDGXKQPWNQSHT-OAHLLOKOSA-N 350.418 3.525 30 40 FHEB O=C(NC(=O)c1c(F)cccc1F)Nc1c(F)c(F)c(F)c(F)c1F 5567573 YNSCWPVKAAJXHV-UHFFFAOYSA-N 366.192 3.622 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C(/Nc2nccs2)c2ccccc2)cc1 4387802 YSPXZXKXWWEGQW-UHFFFAOYSA-N 357.460 3.699 30 40 FHEB N#Cc1c(O)nc(SCCN2CCCCC2)nc1-c1ccc(Cl)cc1 15859833 SKPXVTCQXMQVFA-UHFFFAOYSA-N 374.897 3.952 30 40 FHEB Cc1n[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 4170140 IZWCARISQFIWHX-MRXNPFEDSA-N 352.394 3.827 30 40 FHEB C=CC[C@@]1(C#N)C(S)=NC(C)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] 6763868 DBEONQBTUKNBMO-AEFFLSMTSA-N 355.419 3.969 30 40 FHEB COC(=O)c1ccc(NC(=S)N/N=C(\C)CCc2ccccc2)cc1 6780517 MBRGPBUFKDSPKM-KGENOOAVSA-N 355.463 3.768 30 40 FHEB N#Cc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 7842320 IVNGKDRSTCMDDR-UHFFFAOYSA-N 357.417 3.795 30 40 FHEB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 2616312 QJGAABRWIKGZIU-JOCHJYFZSA-N 361.445 3.823 30 40 FHEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1cccc(C(=O)O)c1 36089889 JZHZQCPUCYHPQS-DOXJHMMXSA-N 368.414 3.714 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c(C)c1 409188270 YCDOBCSYWYYZOH-WSDLNYQXSA-N 369.417 3.863 30 40 FHEB C=CCSc1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 14095344 LAQQYTJVAVOFAD-UHFFFAOYSA-N 368.380 3.784 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 5361875 ANJHXZMLOKFDEW-UHFFFAOYSA-N 360.460 3.746 30 40 FHEB CC/N=C1\S/C(=C\c2ccc(N3CCCCC3)cc2OC)C(=O)N1CC 409221620 TVVBTTYJERKTSF-PQDITWEDSA-N 373.522 3.998 30 40 FHEB CCc1cc2c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)ncnc2s1 7823474 MSIYLAGAOMUHNT-GFCCVEGCSA-N 374.516 3.987 30 40 FHEB COc1ccccc1/C=C/C(=O)c1ccc(OC)c(CSCC(=O)O)c1 7913174 RXZXFQLNBNJGBQ-VQHVLOKHSA-N 372.442 3.918 30 40 FHEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC 9691012 UNHHECVSEQEUCM-LBPRGKRZSA-N 374.824 3.943 30 40 FHEB O/N=C\c1ccc(OCc2ccccc2)c(I)c1 216810733 KMDBZGZEYGILJS-SXGWCWSVSA-N 353.159 3.678 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)OC1(C)C 1776000165 HOVJFWMIJKRBEX-UHFFFAOYSA-N 371.261 3.647 30 40 FHEB CCN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 84774717 RMLDVBSRELZTOI-UHFFFAOYSA-N 352.394 3.784 30 40 FHEB CC[C@@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 1212307 HIIJOKALACZHSK-QHCPKHFHSA-N 374.488 3.877 30 40 FHEB CCOc1cc(C#N)ccc1OCc1nc(-c2ccccc2OC)no1 14139420 PJFTYADSYJZETB-UHFFFAOYSA-N 351.362 3.595 30 40 FHEB C=CCO[C@@H]1CC2(CCN(C(=O)c3ccnn3C)CC2)c2cc(C)ccc21 1614946788 CBLJFOZUKVNPEA-HXUWFJFHSA-N 365.477 3.550 30 40 FHEB CC[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)OC(C)C 21658755 NUJFKNRIQOCSNU-CQSZACIVSA-N 357.435 3.543 30 40 FHEB N#Cc1ccccc1COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 7006056 CZNYOZGXJMKXJR-UHFFFAOYSA-N 369.376 3.981 30 40 FHEB N#Cc1cccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 54122314 LEHOIEIIWZCUHU-UHFFFAOYSA-N 353.853 3.560 30 40 FHEB O=C1/C(=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)COc2ccccc21 33777932 JHSHKPHFGOEBSJ-PTNGSMBKSA-N 350.374 3.854 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 3563062 LIAGIRAQWUNWNJ-UHFFFAOYSA-N 356.495 3.672 30 40 FHEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1O 4509024 NBPWMXWJQGJEBJ-ZZCYQEOYSA-N 360.479 3.832 30 40 FHEB COC(=O)[C@H](Cc1ccccc1)N/C(C)=C/C(=O)c1ccc(Cl)cc1 6550620 CCCJQFBPCMUUOO-SZEUEKNRSA-N 357.837 3.800 30 40 FHEB CCc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408531905 HLWPGHGSDKDTGV-OAHLLOKOSA-N 369.808 3.504 30 40 FHEB COc1ccc(CNc2cc(-c3ccc(OC)cc3)oc(=O)c2C#N)cc1 226759734 SSXAWWNPCVXTGC-UHFFFAOYSA-N 362.385 3.808 30 40 FHEB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225799004 HKTITGIQXQIWIH-UHFFFAOYSA-N 360.454 3.899 30 40 FHEB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5305794 IFYMIRHDLBQXKN-OAQYLSRUSA-N 365.408 3.835 30 40 FHEB COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N 12480807 OYHKISDREVFLDF-UHFFFAOYSA-N 374.444 3.574 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959753 ZWIICZDUCBQWEY-BMIGLBTASA-N 362.355 3.873 30 40 FHEB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119720 JNCIHPVLYZXFKW-STMXVASLSA-N 360.763 3.696 30 40 FHEB CC(C)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 4086977 AFTILRGEXARSBC-UHFFFAOYSA-N 353.491 3.958 30 40 FHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 100632494 OPCBTWZIBXRBKH-LRXVAGHRSA-N 362.429 3.552 30 40 FHEB biogenic COC(=O)/C=C1\SC(N2CCCCC2)=C(c2ccc(Cl)cc2)C1=O 13517505 OCHAAUXCMUGEOG-KAMYIIQDSA-N 363.866 3.867 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223480011 LFRNEQUJMNLFKI-OAQYLSRUSA-N 368.452 3.998 30 40 FHEB O/C(=N/Cc1csc(-c2ccccc2)n1)N1CCOC[C@H](C2CCC2)C1 330201495 XWGXPDOCGAELGN-QGZVFWFLSA-N 371.506 3.973 30 40 FHEB CCCN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 5468332 IGESDTMFYBETFQ-RQZCQDPDSA-N 352.188 3.951 30 40 FHEB N#Cc1c(NC(=O)COC(=O)Cc2cccs2)sc2c1CCCCC2 7975551 DYPANGSLABZQSW-UHFFFAOYSA-N 374.487 3.675 30 40 FHEB Cc1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)no1 22019579 PGMMBZLVZDCPON-UHFFFAOYSA-N 374.425 3.846 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 3219247 ZXUJYKZNTNLRTA-UHFFFAOYSA-N 370.408 3.950 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3310141 LWMQFUNGNHNTBP-UHFFFAOYSA-N 363.200 3.589 30 40 FHEB CN(CCC#N)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287912 YDOSJKJQDIIAJD-UHFFFAOYSA-N 368.487 3.822 30 40 FHEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409187606 SJBCTAQGJAYWTO-NHDPSOOVSA-N 355.390 3.774 30 40 FHEB C=CCn1c(SCc2cccs2)nnc(Nc2ccccc2)c1=O 28538803 PVKYLFUACXANIV-UHFFFAOYSA-N 356.476 3.922 30 40 FHEB N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccco1)c1nc(O)c2ccc(Cl)cc2n1 84432090 KTXAHWMHSMZXBW-YNEHKIRRSA-N 353.765 3.562 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(C[C@H](C)CC1=O)N2 22608519 DGVQRGCIYICDLU-GTNSWQLSSA-N 370.478 3.667 30 40 FHEB C=CCOc1c(C(=O)OC)sc(Br)c1Br 96511041 WSWQXSFKXOZYPQ-UHFFFAOYSA-N 356.035 3.625 30 40 FHEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1OC 95482247 XAQKKTZYBIECRE-UHFFFAOYSA-N 369.446 3.807 30 40 FHEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2ccco2)C1=O 672623 MTGNMBMSVBMHQA-RVDMUPIBSA-N 371.414 3.832 30 40 FHEB CC1CCC2(CC1)C(=O)N[C@]1(C=C[C@@H](C)CC1)[C@@]2(O)C#Cc1ccccc1 4983836 VNPKXGXTANPGCD-ZIHLBXFCSA-N 363.501 3.820 30 40 FHEB N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(C(F)(F)F)cn1 41554734 BHTBQOWANOPDMM-SNVBAGLBSA-N 368.698 3.973 30 40 FHEB O=S(=O)(/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1 949462 ZFAOUQCOCKTEEP-LZYBPNLTSA-N 374.643 3.616 30 40 FHEB N#Cc1cc2c(nc1S[C@H](C(=O)NC1CC1)c1ccccc1)CCCC2 78283106 ILLLHEINQYOOEW-IBGZPJMESA-N 363.486 3.944 30 40 FHEB Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)Nc1ccc(Cl)cc1 27525895 BWPYOFJJPCOTDC-UHFFFAOYSA-O 350.776 3.924 30 40 FHEB CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 5585149 YSKRCGHAGSWYHH-UHFFFAOYSA-N 368.462 3.595 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2C)cc1OC 35104795 ZDWYLHQHLFXWEY-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB COc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 33792748 KHVVEPPIKQQSSL-JMIUGGIZSA-N 362.813 3.655 30 40 FHEB COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1 32502146 YNBUSWJCQVHMAV-OCKHKDLRSA-N 363.413 3.934 30 40 FHEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C(=O)N1CC 212467640 QUNPTKLUUPWEAK-ZZCYQEOYSA-N 354.479 3.801 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 223357976 WVYWPMGWWFJRTI-UHFFFAOYSA-N 360.508 3.664 30 40 FHEB COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1S(=O)(=O)O 17289632 CXHADBHCKVFEFS-VXLYETTFSA-N 363.435 3.830 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 19138079 LNBXOGPZZCLSHB-SFHVURJKSA-N 351.377 3.898 30 40 FHEB C=CCN1CCC[C@@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19530063 VJZHJOLFHNJUOK-NQIIRXRSSA-N 374.456 3.540 30 40 FHEB CCOc1cc(/C=N/N=C(/N)S)ccc1OCc1ccccc1Cl 6078659 URFOOKMXTYEWPK-KEBDBYFISA-N 363.870 3.896 30 40 FHEB N#Cc1ccc(CN2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)cc1 1888875989 ASABGGGWDGDBPD-IAGOWNOFSA-N 372.394 3.540 30 40 FHEB CCO/C=C(\C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 28293846 ZBDHJSAPFXBWLI-FOWTUZBSSA-N 350.823 3.875 30 40 FHEB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COc1ccccc1C#N 7737364 IVTQZOPFZFFGAO-UHFFFAOYSA-N 366.808 3.630 30 40 FHEB COc1cc(/C(C)=N/NC(=S)Nc2ccccc2C)cc(OC)c1OC 4871754 AZUGBFSQOMWSOO-FYJGNVAPSA-N 373.478 3.731 30 40 FHEB CCNC(=S)N/N=C/c1cc(Cl)c(O[C@@H](C)CC)c(OCC)c1 6603722 DYEREKCIUTYENJ-VSMYLPJWSA-N 357.907 3.734 30 40 FHEB C=CCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c1C 100765347 CIENNDMRUBRJLT-WOJBJXKFSA-N 355.457 3.531 30 40 FHEB CCCCCCCCS(=O)(=O)N/N=C(\C)c1ccc(OC)c(OC)c1 59608724 JZXCPBZAWATFFF-XDJHFCHBSA-N 370.515 3.708 30 40 FHEB Cc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)c(C#N)c3)c2C)cc1 55096919 CYOJKOOLIHWDPH-UHFFFAOYSA-N 351.797 3.662 30 40 FHEB C=CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(C)cc(C)c21 100485635 NLJKJBBLSLDCBD-FQEVSTJZSA-N 364.445 3.592 30 40 FHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2284807 KQOCUCRZMGMBNB-UHFFFAOYSA-N 367.412 3.778 30 40 FHEB O=C(CO/N=C/c1ccccc1OC(F)F)N[C@H]1CCCc2ccccc21 5349146 SNTGFLHSXGZYIY-FZJZADEZSA-N 374.387 3.832 30 40 FHEB CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)Nc1cccc(C)c1 5452233 OLFWQCIUBSRCEA-MRXNPFEDSA-N 360.417 3.973 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OCC 408929609 LOGJKJNBJOBLEB-PKOZXGCMSA-N 354.859 3.669 30 40 FHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 409173416 MOWNMVWQRGKBGQ-LKUXTKQQSA-N 373.456 3.667 30 40 FHEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084881 QKWIBKLYZMXKKR-HKWRFOASSA-N 365.216 3.906 30 40 FHEB O=C(O/N=C1/Sc2ccccc2C1=O)c1cccc(Br)c1 5069749 KXXUCHYIDDSDKL-SAPNQHFASA-N 362.204 3.908 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(O)c2)cc1 19138352 PMFSLAKDNNNEAA-IBGZPJMESA-N 365.429 3.935 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccccc2C)ccc1OCC(=O)N(C)C 8322536 HUCFXHVEKWGVKL-ZRDIBKRKSA-N 367.445 3.757 30 40 FHEB Cc1cc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)ccc1Br 6188961 HXXYAVZLOQYHKY-SXGWCWSVSA-N 367.202 3.974 30 40 FHEB C=C(COC(=O)C(C)C)[C@@H]1Oc2cc(C(C)=O)ccc2[C@H]1OC(=O)C(C)C 31165975 CPDCJXCECPCPNL-RBUKOAKNSA-N 374.433 3.646 30 40 FHEB biogenic,in-vitro N#Cc1c(F)cccc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 30773522 YQHWCTDBWFMBLF-UHFFFAOYSA-N 366.392 3.568 30 40 FHEB COc1cccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)c1 4737436 PZFUBALNWNVWNY-HZHRSRAPSA-N 370.412 3.840 30 40 FHEB C=C1[C@@H](C(=O)N2c3ccccc3C[C@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C 12559445 GWZQTOHOERXPOC-NDJGUNTQSA-N 372.468 3.744 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C 57996466 TYDXTMFYZSRNGV-PIGZYNQJSA-N 364.902 3.762 30 40 FHEB Cc1sc(Nc2nc3ccccc3nc2N2CCOCC2)c(C#N)c1C 2317929 WPJBUIXAOBRUSF-UHFFFAOYSA-N 365.462 3.760 30 40 FHEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCCC2)c1C 8458726 HMFLXJQFEXIHBA-UHFFFAOYSA-N 371.510 3.946 30 40 FHEB COc1ccc2c(C)c(/C=N/NCc3ccc(OC)c(OC)c3)oc2c1 20196693 HPTRLQUXWGKIFK-WSDLNYQXSA-N 354.406 3.891 30 40 FHEB O=C1CCc2cc(C(=O)/C=C/c3c(Cl)nc4sccn34)ccc2N1 84451777 RAERUINEODKKLX-SNAWJCMRSA-N 357.822 3.830 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)CNc3cccc([N+](=O)[O-])c3)c2C#N)C1 30284733 FCJDKIQCCAQGRB-LLVKDONJSA-N 370.434 3.703 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224796049 RJSDSKDODTZYLO-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB C=CCOc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OC 5000707 XKQCUVJMPTWLKC-GZTJUZNOSA-N 365.385 3.613 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(N(C)C)cc1 4821535 VUXJHYQFPWFCAW-PXNSSMCTSA-N 353.418 3.665 30 40 FHEB C#CCn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033617 XBBRXIVLYUIKGF-OAHLLOKOSA-N 361.470 3.912 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 5901222 SMHWVUGKYYYCDK-JFENUBAZSA-N 368.385 3.642 30 40 FHEB biogenic N#Cc1ccc(/C=C2/CCCCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 33499298 AMWDNPSQNKMLBJ-WJDWOHSUSA-N 371.396 3.691 30 40 FHEB COc1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59248517 JIBFOPABFCCTTQ-WOJGMQOQSA-N 365.227 3.638 30 40 FHEB CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O 4387419 NUYGJCAWOIDLJS-HNNXBMFYSA-N 363.255 3.788 30 40 FHEB COc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3C)OCO4)S2)cc1 408961819 OEACEJCAVHHSSG-RQZCQDPDSA-N 368.414 3.624 30 40 FHEB Cc1ccc(S(=O)(=O)N2C(=O)C(C)(C)S/C2=N\c2ccccc2)cc1 16711618 ZDZRHGJYEKCBHL-ZPHPHTNESA-N 374.487 3.725 30 40 FHEB N#Cc1ccnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 71918402 ABEMOWQSHRRQQX-UHFFFAOYSA-N 352.463 3.674 30 40 FHEB C=CCc1cc(C=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409093283 ZSXDORPQLAVGMO-UHFFFAOYSA-N 358.306 3.845 30 40 FHEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(OC)c1 224794589 IYXLRTQZBNTUQD-UHFFFAOYSA-N 361.463 3.648 30 40 FHEB CC(C)C(=O)N1CCC(C(O)=Nc2ncc(-c3ccccc3)cn2)CC1 330103708 HBIHREZFNQTKLW-UHFFFAOYSA-N 352.438 3.626 30 40 FHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(OC)c1 16661704 DVIJAEMYFCVTIX-YVLHZVERSA-N 354.431 3.904 30 40 FHEB COc1ccccc1NC(=S)N/N=C(\c1ccccc1)c1ccccn1 1642875 GCSKJVXUKXNQHK-FCDQGJHFSA-N 362.458 3.829 30 40 FHEB N#Cc1ccc(CN2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 22432119 FNPGWPWHZRSXGU-JOCHJYFZSA-N 374.488 3.537 30 40 FHEB O=C(COc1ccc(Cl)cc1Cl)O/N=C/c1cccc([N+](=O)[O-])c1 3139788 CZGYTAHQFFFSDA-QGMBQPNBSA-N 369.160 3.858 30 40 FHEB COc1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 113856354 KUWNVMRQTGLPGK-PXNMLYILSA-N 351.156 3.822 30 40 FHEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 4331376 QVRFIRMWDIHYJU-AWEZNQCLSA-N 366.490 3.981 30 40 FHEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1 408777625 DOTOZWYYAWQJOW-LVSKKATPSA-N 365.458 3.751 30 40 FHEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(C(C)C)cc2)C1=O 409080378 NLFCPFFLBLKOSN-PTNGSMBKSA-N 373.474 3.768 30 40 FHEB CCc1nc(C#N)c(NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)o1 96346417 QVHSYBZSKMQGDZ-IBGZPJMESA-N 368.481 3.717 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(OC)c2)cc1 2233004 KEAZTTCDHLNMBY-YBFXNURJSA-N 370.434 3.603 30 40 FHEB CCCCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 20590548 BFWSHPRQKJUAFA-UHFFFAOYSA-N 357.431 3.601 30 40 FHEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102804311 KZONDYXRXUUHBK-WOOAAIBNSA-N 374.396 3.605 30 40 FHEB N#C[C@H]1C(CN2CCCc3ccccc32)=CC(=O)n2c1nc1ccccc12 24678504 YYHBNDPAHCVBQJ-KRWDZBQOSA-N 354.413 3.676 30 40 FHEB C[C@@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 107445293 YJRVMIDXXXLGRA-GNVHZARDSA-N 366.408 3.579 30 40 FHEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(O)nc3)n2)c1C 10255679 ZRGAGTXJQRGEPE-UHFFFAOYSA-N 354.435 3.767 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C 8617394 OCTNVGXWKSNGIH-UHFFFAOYSA-N 353.447 3.502 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 13757725 VJSVPNMTRZBNQN-YBEGLDIGSA-N 367.382 3.623 30 40 FHEB CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OC 5129641 KEJCULKAORSGJK-ONNFQVAWSA-N 367.445 3.827 30 40 FHEB COc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC 14108638 XZJRAIPPPLJSTI-VOTSOKGWSA-N 372.446 3.914 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1cccc(Cl)c1Cl 18196018 GIDNAWDMDQZJMR-CQSZACIVSA-N 364.236 3.638 30 40 FHEB CCCCN(C)C(=O)CSc1nc(-c2ccccc2)nc(C)c1C#N 27789326 GEBCDZOGZXQEFK-UHFFFAOYSA-N 354.479 3.674 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(=O)O)cc1 409092836 ZOOQZZFZFZXRHG-FYJGNVAPSA-N 354.406 3.753 30 40 FHEB C=CCOc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225454918 QYLBZXYTNVZCBT-UHFFFAOYSA-N 364.474 3.924 30 40 FHEB CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OCc2ccccc2)c1 13132252 AEHRBTXSWXTXRN-FQEVSTJZSA-N 360.417 3.735 30 40 FHEB aggregator N#CCCN(C(=O)COc1ccc2ccccc2c1C=O)c1ccccc1 31675191 DABPLSRREOJOBV-UHFFFAOYSA-N 358.397 3.978 30 40 FHEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1OC 15133692 ZRZNYXYPXSJZAR-UHFFFAOYSA-N 359.342 3.759 30 40 FHEB CC(=O)c1c[nH]c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 42969328 LJBVNPRCCZAUBD-UHFFFAOYSA-N 359.385 3.920 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1 18143659 JEMMLKISHJYHQN-VBKFSLOCSA-N 369.446 3.780 30 40 FHEB CC[C@@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269491 BVWIZCNPWOUSHY-CYBMUJFWSA-N 352.463 3.674 30 40 FHEB N#Cc1ccc(-c2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 6625460 JESRESMHXSEHTK-UHFFFAOYSA-N 359.410 3.874 30 40 FHEB COc1cc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)ccc1O 6646941 AHJQECSNXQASTQ-ZZXKWVIFSA-N 350.317 3.907 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1C 8321385 SUFJOHAGSUILAH-VQHVLOKHSA-N 357.406 3.722 30 40 FHEB N#Cc1c(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc2cc(Cl)ccn12 553213130 MPRLTHPZKGBSGI-MEBBXXQBSA-N 372.778 3.755 30 40 FHEB O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccc(F)cc2)ccc1Cl 33662760 XTDGICKUDBZVCK-IUXPMGMMSA-N 352.778 3.708 30 40 FHEB C[C@@H](O/N=C(/N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 78695998 ZHXCHAWYIKNMKX-ZIAGYGMSSA-N 371.868 3.538 30 40 FHEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 684813757 ZQWSUQKQDOTTCE-LZQZEXGQSA-N 368.481 3.699 30 40 FHEB C=CCN1C(=O)CCC12CCC(NC(=O)c1cccc(OC(C)C)c1)CC2 2055819366 QYXJNUJMYTWIDS-UHFFFAOYSA-N 370.493 3.693 30 40 FHEB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 3893149 PCPVGDPAWCUUNJ-UHFFFAOYSA-N 354.431 3.928 30 40 FHEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 13688720 SILSDPZNHRQKQX-GRSHGNNSSA-N 360.369 3.643 30 40 FHEB C[C@@](O)(CNC(=O)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 75155380 DMXBGANTUHERON-HSZRJFAPSA-N 356.425 3.863 30 40 FHEB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@@]1(Cc1ccccc1)[N+](=O)[O-] 3138518 URDRDZDFIVDTOK-QFIPXVFZSA-N 372.380 3.806 30 40 FHEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(I)cc1 1087184 WRVZWIZLXRZWRT-OQLLNIDSSA-N 352.131 3.950 30 40 FHEB C[C@]1(C(=O)Nc2sc3c(c2C#N)CCCC3)Cc2ccccc2C(=O)O1 4384776 VJPZHXGXEVTXKQ-HXUWFJFHSA-N 366.442 3.609 30 40 FHEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 20028899 JLDALSCATHGLCF-FQEVSTJZSA-N 368.452 3.806 30 40 FHEB COc1ccccc1-n1c(N)c(C#N)c2c(c1=S)CO[C@@H](C(C)C)C2 6719296 MDBBYDDJQPMODB-QGZVFWFLSA-N 355.463 3.767 30 40 FHEB N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 97001610 FIPZBMYOSQNAJB-GFCCVEGCSA-N 358.279 3.640 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 225614902 AMOCKSMUUDBXFV-UHFFFAOYSA-N 373.250 3.546 30 40 FHEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)c1 46084899 QOKVRENPEDIMQH-HKWRFOASSA-N 365.216 3.906 30 40 FHEB O=C(O)CC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677016 PBCSXNBWNQQSMF-BYPYZUCNSA-N 358.103 3.886 30 40 FHEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(Cl)cc1F 670416135 OVTAXZYUOCKKKY-SNVBAGLBSA-N 365.817 3.727 30 40 FHEB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2ccc(C#N)cn2)CC1 69814068 ODXQMZIJNFIMFC-LJQANCHMSA-N 369.513 3.532 30 40 FHEB C=CCc1cc(CN(C)Cc2ccc(OC)c(OC)c2)c(O)c(OC)c1 33033988 PAPYOPUZYSKSCJ-UHFFFAOYSA-N 357.450 3.779 30 40 FHEB O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(OC(F)F)cc1 3893081 RWBRWCVAOHARNF-UHFFFAOYSA-N 353.295 3.808 30 40 FHEB C=C(C)CN(CC)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 40144840 OGAIPDUDPGSZQE-UHFFFAOYSA-N 364.492 3.587 30 40 FHEB Cc1ccc(N(C[C@H]2CO2)S(=O)(=O)c2ccc3ccccc3c2)cc1 864097 VEQQZWSIKZUMLJ-IBGZPJMESA-N 353.443 3.742 30 40 FHEB CN(C)c1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 104103300 HRIDYGANUPTUKK-BKUYFWCQSA-N 356.539 3.519 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@@H]4[C@H]12)c1ccccc1 100776514 UARIRGJWHKWMHN-KQZVDBHASA-N 369.505 3.863 30 40 FHEB N#C[C@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@@H]12 1272728 NJIMBDNRCFGZTG-APWZRJJASA-N 350.381 3.762 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccnc1 2245377 CYGPQKUZOGWGRE-UHFFFAOYSA-N 366.446 3.510 30 40 FHEB Cc1nc(SCC(=O)N[C@@](C)(C#N)C(C)C)c2c(C)c(C)sc2n1 5428858 HPXANLDSCSDVQP-KRWDZBQOSA-N 362.524 3.763 30 40 FHEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 408962354 HRWXERVOZNKFRH-UZUODQGYSA-N 355.375 3.534 30 40 FHEB COc1ccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)cc1 408733289 XAHJRMBIVZKOCV-HZHRSRAPSA-N 370.412 3.675 30 40 FHEB C=CCCC(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217365866 NVABXQOAJLIQSS-UHFFFAOYSA-N 360.473 3.626 30 40 FHEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)C1 20533452 AZCLLDBMUXTTLW-PZZZEZCFSA-N 364.445 3.881 30 40 FHEB CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C#N 1049546 OFQRXHXZAWVLFV-UHFFFAOYSA-N 356.373 3.653 30 40 FHEB O=C1C2=C(N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)C(=O)c2ccccc21 104281940 AZNNWZQEWUQLGD-WOJBJXKFSA-N 366.420 3.953 30 40 FHEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 12554074 SZHLLFUIQUEPJT-UHFFFAOYSA-N 362.477 3.619 30 40 FHEB C=CCn1c(SCC(=O)C(C)(C)C)nc2sc(C)c(C)c2c1=O 2422016 PESKKSNVWNFXMZ-UHFFFAOYSA-N 350.509 3.968 30 40 FHEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 6166674 OLHXEBPZAFTYPV-JQNABLTESA-N 350.370 3.799 30 40 FHEB biogenic C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)SC1=S 4711857 PGGZONIZEUWYFV-PTNGSMBKSA-N 370.455 3.563 30 40 FHEB Cc1ccc(NCc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)cc1 7223366 QTEAGFRJRCWOSO-UHFFFAOYSA-N 364.474 3.781 30 40 FHEB Cc1ccccc1/N=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408964106 BPMMHKPETSZVDG-XKZIYDEJSA-N 367.474 3.801 30 40 FHEB COc1ccc(/C=N\Nc2nc(C)c3c(n2)Nc2ccccc2NC3=O)cc1 31841800 FUFDNUOHJCIJNF-NHDPSOOVSA-N 374.404 3.549 30 40 FHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OC)cc2)cc1 224871523 DIZYVZKJKVKDSI-UHFFFAOYSA-N 359.447 3.641 30 40 FHEB C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(OC)cc1 8924727 COZJZKMLXMOFDJ-CQSZACIVSA-N 353.451 3.675 30 40 FHEB C=CCNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N 12418970 VJRFKUXHPVNADQ-UHFFFAOYSA-N 351.362 3.992 30 40 FHEB CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 20813749 QKGLFPVXENPUSF-UHFFFAOYSA-N 363.552 3.858 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2sccc2c1=O 36800674 QCEWDSFPRDIZPQ-LBPRGKRZSA-N 371.487 3.763 30 40 FHEB C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 32759215 YIFKSLHYRGQXLM-AWEZNQCLSA-N 359.857 3.759 30 40 FHEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 33918725 XLKKTKRVTWBFPK-UAQCVPFCSA-N 367.474 3.939 30 40 FHEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(C)O 118934643 DWOBOIHVETVJBV-NPAPBTNPSA-N 350.474 3.578 30 40 FHEB CN(C)c1ccc(/N=C\c2ccc(O)c(I)c2)cc1 408904260 HEQKOGWBIZUOEL-YVLHZVERSA-N 366.202 3.813 30 40 FHEB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 15799396 IQOSPQKNLAGQTH-LBPRGKRZSA-N 373.503 3.641 30 40 FHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C#N)cc1 9095784 CIFAJDOOWREFFI-UHFFFAOYSA-N 374.469 3.902 30 40 FHEB Cc1c(NC[C@@H](O)c2ccccc2C(F)(F)F)cc(C#N)cc1[N+](=O)[O-] 68998183 YTTXMSOXRBGNHC-MRXNPFEDSA-N 365.311 3.939 30 40 FHEB Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1C1CC1 9216806 BUKRHXUSDSRNLI-UHFFFAOYSA-N 365.462 3.765 30 40 FHEB N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)cc1 71890548 NDYTUSTUZDOSIT-JOCHJYFZSA-N 365.521 3.951 30 40 FHEB C/N=C1/S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)N1C 408930357 WAKVPEAOHQTWME-WXLRXACCSA-N 354.859 3.668 30 40 FHEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224705519 CNRIZOPZPFSGOS-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 85474544 RUYYVWOYPZQGAX-KRWDZBQOSA-N 354.456 3.693 30 40 FHEB Cc1ccc(C)c([C@H]2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)c1 5244205 PJOBYKGQRBCXOA-HNNXBMFYSA-N 362.355 3.936 30 40 FHEB O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1)c1ccco1 5567581 GONZJPXNFBJZSS-YBFXNURJSA-N 351.318 3.896 30 40 FHEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccccc1)N(C)CC3)OCO2 20111762 NFSAUYZGLBVYMW-GFOMBABLSA-N 365.429 3.626 30 40 FHEB biogenic C=C(C)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c(CC)c(C)sc21 31820333 NDIYYCJSRZPZBJ-UHFFFAOYSA-N 365.462 3.615 30 40 FHEB Cc1ccc2cc(C[C@H](C#N)C(=O)Nc3c(C)cccc3C)c(=O)[nH]c2c1 883124 NNCOASOJNNBQIJ-GOSISDBHSA-N 359.429 3.774 30 40 FHEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)cc1 6309052 ZMTXLZZFUQFARO-UHFFFAOYSA-N 362.216 3.576 30 40 FHEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1 6562679 ZRSMEJYTXCXIBI-KRWDZBQOSA-N 358.825 3.802 30 40 FHEB Cc1c(N/C=C/C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 8580114 AISPMHJXHOHCDJ-OUKQBFOZSA-N 367.836 3.946 30 40 FHEB N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)cc1 23450886 DSCDISNVIDYJCG-UHFFFAOYSA-N 353.853 3.560 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)cc1OC 12462717 PQWRTVQSFLNFPK-GZTJUZNOSA-N 354.431 3.904 30 40 FHEB C[C@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCCC2 3316106 TWTYIZJNDUSPEC-ZDUSSCGKSA-N 351.475 3.888 30 40 FHEB C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 12843847 GVZQMKQFOPTAKT-YQODDJSKSA-N 357.866 3.894 30 40 FHEB COc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2)cc1OC 6761975 PKWHLZHOUCVXNW-XCHVBMRISA-N 366.446 3.798 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c(O)c2ccccc21 5817026 ZKVBYIUCONWADJ-UHFFFAOYSA-N 354.793 3.799 30 40 FHEB Cn1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 96309259 UAWDMPYYNBLIOL-KTKRTIGZSA-N 374.419 3.673 30 40 FHEB COc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409067891 QNKVVZAPBNVHPB-CIAFOILYSA-N 365.393 3.852 30 40 FHEB COC[C@H](C)Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225877585 IUORQGRYLGCZNP-JTQLQIEISA-N 354.237 3.711 30 40 FHEB CNc1ccc(/C=C/C(=O)c2ccc(OCCOC)cc2)cc1[N+](=O)[O-] 44027722 YKWALRUWKLCGDG-ONNFQVAWSA-N 356.378 3.558 30 40 FHEB O=C(/C=C\N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl 16478684 HIPFASFKDLLJMG-HLRDLLSLSA-N 364.228 3.975 30 40 FHEB C=CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(OC)c21 100909563 YEBKIMNZKVYRBE-VXPUYCOJSA-N 354.431 3.647 30 40 FHEB C=C(C)Cn1c(=O)n2nc(-c3ccco3)nc2c2c(CC)c(C)sc21 32104766 MHNVPTGOOXQTSS-UHFFFAOYSA-N 354.435 3.813 30 40 FHEB CCCCc1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1 46056497 YOWKOIQECXKSGG-UHFFFAOYSA-N 354.523 3.675 30 40 FHEB N#Cc1cccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)c1 1354061 KJSYIFIDQLIYFR-UHFFFAOYSA-N 362.364 3.551 30 40 FHEB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C#N 32774258 BJIIJRFTIUPUGQ-UZNLNLPZSA-N 358.463 3.706 30 40 FHEB COc1ccc2nc(/N=C(/N)NCc3cccc4ccccc34)nc(C)c2c1 58885986 ZWHCERYRESXRFX-UHFFFAOYSA-N 371.444 3.836 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2c1=O 10323174 FZQGORRPNORVJZ-UHFFFAOYSA-N 373.384 3.776 30 40 FHEB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(C#N)ccc1F 11391993 CIKHBDOECQTKCU-UHFFFAOYSA-N 371.368 3.809 30 40 FHEB COc1ccc(-c2nc(SCc3ccc(C#N)cc3)nc(O)c2C#N)cc1 6009113 FBIABUCJZGOTPN-UHFFFAOYSA-N 374.425 3.893 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2cccc(C)c2)s1 16007890 UDLHGKGFWDWKHX-UHFFFAOYSA-N 351.522 3.997 30 40 FHEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccn2)cc1 4311689 YNELJTRIIVOXHH-GOSISDBHSA-N 371.396 3.568 30 40 FHEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)cc1F 13727152 CNXQTSZMBPTLTD-UHFFFAOYSA-N 369.396 3.805 30 40 FHEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4898514 IUYNOHCDQWSYCD-HRCADAONSA-N 366.465 3.671 30 40 FHEB C[C@@H](OCc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 32942811 QBYUYUHPCLBCNX-OAHLLOKOSA-N 361.363 3.778 30 40 FHEB CCOc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OC(C)C 980701 QTYQQBZHZYYVII-HYARGMPZSA-N 371.506 3.871 30 40 FHEB CCOc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1O 940370 FBQWRRAWCMFAQU-SRZZPIQSSA-N 368.462 3.865 30 40 FHEB N#Cc1ccc(C(=O)CSc2nnc(NCc3ccccc3)s2)cc1 12618763 HKIVRSKIHSBKJD-UHFFFAOYSA-N 366.471 3.997 30 40 FHEB CCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59678959 BVXAHWSWOUFFLD-KEBDBYFISA-N 361.781 3.731 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 18195500 AFUKRBYWKCPRLJ-GFCCVEGCSA-N 350.205 3.987 30 40 FHEB Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1C1CC1 4891265 NJHVKNAZLQDWLR-UHFFFAOYSA-N 365.462 3.536 30 40 FHEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)c(C(=O)O)c1 18209212 NHSVFSCYJZNTRM-VYXQJKENSA-N 355.781 3.779 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncc(Cl)cc1Cl 5943982 QUNKNMHMDARRNR-FBCYGCLPSA-N 356.209 3.860 30 40 FHEB O=C(O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409093850 AXVKWSTUNDQXRM-FRKPEAEDSA-N 365.139 3.512 30 40 FHEB Cc1ccccc1[C@@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 331744355 YCZNJODLAMNLPY-MRXNPFEDSA-N 353.491 3.973 30 40 FHEB CC(C)(C)c1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 40159314 NSMJMKFJDYYCDR-LPYMAVHISA-N 368.433 3.745 30 40 FHEB COc1ccc(Br)c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 32614716 RBJLQENKZKOVTB-UHFFFAOYSA-N 359.223 3.602 30 40 FHEB C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1OC(F)(F)F 75572261 OHTGBBXPYDSWSF-AWEZNQCLSA-N 358.404 3.830 30 40 FHEB COc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1OC 6334054 ZHEIBMVDMHHTLO-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB Cc1cc(C)nc(N2NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)n1 8558909 GTPYARRUJIXUTF-SFHVURJKSA-N 354.841 3.820 30 40 FHEB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 100926150 CHULKVQRZLXDAC-YBEGLDIGSA-N 366.421 3.966 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 12621814 WZDKHISQLUOALE-YVEFUNNKSA-N 356.422 3.818 30 40 FHEB CC(C)Cc1ccc(-c2cnc(CCC(=O)/N=C3\NCCS3)o2)cc1 12916688 WVKLNOMCZIQAGB-UHFFFAOYSA-N 357.479 3.692 30 40 FHEB O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cccc(N2CCOC2=O)c1 63556694 MJCWKHWSBQMUMJ-MDZDMXLPSA-N 371.396 3.996 30 40 FHEB CCc1nnc(S)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 6684811 NCXSAOYNXZWZGD-UDWIEESQSA-N 352.463 3.899 30 40 FHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(O)cc1 4819414 QVOOPFAMVKEQJW-KEBDBYFISA-N 351.366 3.549 30 40 FHEB Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c1 7056616 BCAUMGFBHBYHIH-IBGZPJMESA-N 356.495 3.636 30 40 FHEB CC(=O)N[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 95953485 CWVHVCQENVVBTF-GOSISDBHSA-N 367.474 3.898 30 40 FHEB COc1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc(OC)c1OC 40546316 KPUKWWGYCMXMQX-UHFFFAOYSA-N 373.792 3.654 30 40 FHEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(OC)c1 226337511 UADKGGASOZUMMR-VOTSOKGWSA-N 357.793 3.512 30 40 FHEB N#CCCn1cc(C(=O)OCC(=O)c2ccccc2)c(-c2cccs2)n1 5000346 JGSNTSNCAKWFMT-UHFFFAOYSA-N 365.414 3.565 30 40 FHEB Cc1cc(C)c2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 1354199 AVHZKFANLYCZKT-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB C=C(C)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 2721557 RFOHKDGSKMTJMI-UHFFFAOYSA-N 363.461 3.740 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N(C)C)o2)cc1 27664178 BFFYUXOLKQCOJB-MRXNPFEDSA-N 352.394 3.530 30 40 FHEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O 103775686 GAPMVMWPPHTNGD-DVSFIDLUSA-N 353.447 3.585 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)NC2=O)c(OC)c1 1023441 GTYXXSZFWPUZOC-YVLHZVERSA-N 354.431 3.904 30 40 FHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1O 18196782 RFIRNUKMUUASJU-FQEVSTJZSA-N 365.385 3.694 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 20014784 BZHOUBIOXXMICW-UHFFFAOYSA-N 374.400 3.630 30 40 FHEB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 40116600 PVHURDZAUPILBA-SFHVURJKSA-N 373.334 3.544 30 40 FHEB NC(=S)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 636714 PVRZIJHIKMTSQL-UFWORHAWSA-N 354.262 3.740 30 40 FHEB C=CCN(C(=O)CSc1nccn1C)c1nc(-c2ccccc2)cs1 6370315 OCFSHEQCQFYJOH-UHFFFAOYSA-N 370.503 3.855 30 40 FHEB CC(C)(C#N)NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 77027586 WBLBEXRTYIMGID-UHFFFAOYSA-N 354.797 3.818 30 40 FHEB C[C@H](Sc1nncs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16865798 LAACGQGFVOLQKK-VIFPVBQESA-N 364.521 3.859 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C[C@H](O)c1ccc2c(c1)OCO2 48308617 HAVNLCXNIXFXRF-AWEZNQCLSA-N 351.855 3.852 30 40 FHEB CC(C)NC(=S)N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 4978339 QUFULUVNMZPRNB-KGENOOAVSA-N 365.506 3.507 30 40 FHEB N#Cc1c(N2CCOCC2)nc2c(c1C#N)CCCCCCCCCC2 15107849 WSWAHRMCOPFWCQ-UHFFFAOYSA-N 352.482 3.881 30 40 FHEB COc1ccc(-c2cc(C(=O)O[C@@H](C)C#N)c3ccccc3n2)cc1OC 7706105 KLTQZNPEVCTKPQ-ZDUSSCGKSA-N 362.385 3.988 30 40 FHEB C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 95995144 LDGFGKDMEWVHOP-RXVVDRJESA-N 364.489 3.892 30 40 FHEB C=CCc1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)ccc1OC 223513788 RNLIEEUWCPNKBL-AWEZNQCLSA-N 355.434 3.932 30 40 FHEB C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 13424433 UIIHVVYGKPUXLF-ATVHPVEESA-N 352.390 3.729 30 40 FHEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC(C)C 16161090 FUDZLPPAOINJNF-XGICHPGQSA-N 368.227 3.809 30 40 FHEB CN(C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 17196969 UILSIXHPMXONEE-YHARCJFQSA-N 374.484 3.517 30 40 FHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 23718310 OFVYMERWRCFUDH-JHTBKMLMSA-N 356.761 3.828 30 40 FHEB Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 20589848 ORDXGXKFAFMEQL-ODLFYWEKSA-N 364.445 3.944 30 40 FHEB COc1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1O 102423452 KNUBYNAGYIYMDU-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB O=C(CCN1CCSC1=O)Nc1cccc(C#Cc2cccs2)c1 32907519 SEUGXOFXSLTGFZ-UHFFFAOYSA-N 356.472 3.645 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 46849980 CLUJTQMFCFYHBS-UHFFFAOYSA-N 370.456 3.701 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 2309127 HOSPUJLZDQFTJK-CPNJWEJPSA-N 363.413 3.616 30 40 FHEB N#CCCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 9365722 MAFJIWKESOGAOQ-UHFFFAOYSA-N 357.460 3.594 30 40 FHEB CCOc1ccc(OCC)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 5316690 UXZCKUSBDVATPI-WOJGMQOQSA-N 374.353 3.746 30 40 FHEB C=CCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724216 USZLSODSBDZSBN-XCLFUZPHSA-N 355.821 3.579 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCC)c(OCC)c2)C1=O 409045327 GGUVAAXMZJEZGA-GHRIWEEISA-N 371.458 3.882 30 40 FHEB O=C(OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1ccnc1 1083812561 SGIZMNOOMJJVHX-UHFFFAOYSA-N 358.160 3.931 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccccc1F 19959845 KIMOVLZXKQUHGS-RTHLEPHNSA-N 366.318 3.704 30 40 FHEB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1 575620004 HJMSMXOYPUJKOO-ZDUSSCGKSA-N 356.472 3.682 30 40 FHEB Cc1ccc(S(=O)(=O)ON=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1 3077844 PPJPJHFIERQDDD-UHFFFAOYSA-N 361.463 3.804 30 40 FHEB COc1ccc(OCc2nnc(SCc3ccccc3C#N)o2)cc1 7604786 SDDVZOGXAFKBNT-UHFFFAOYSA-N 353.403 3.821 30 40 FHEB CSc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608330 PNUDYMLODGJNLJ-QFYYESIMSA-N 372.519 3.990 30 40 FHEB C[C@H]1CCc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2 7619348 ULCTWASQOJDMIX-ZDUSSCGKSA-N 351.475 3.888 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1 96988709 MIDZBOXEMMIDCB-WQLSENKSSA-N 360.410 3.704 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(CC)cc2)C1=O 98050537 CRVKPKPMMINFKN-FQEVSTJZSA-N 359.470 3.565 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(O)cc2)S1 408754010 SJPMYBNIPQKCEC-OQLLNIDSSA-N 355.375 3.500 30 40 FHEB CCOc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409048191 RDFWEFMMIHUOSB-KEBDBYFISA-N 362.813 3.873 30 40 FHEB C=CCc1cc(/C=N/O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409079007 JRJCQGQVICCAAM-VCHYOVAHSA-N 373.321 3.841 30 40 FHEB COc1cc(Br)cc(C=C2C(=O)c3ccccc3C2=O)c1O 408817992 OMUFKPVTUDMAMG-UHFFFAOYSA-N 359.175 3.626 30 40 FHEB Cc1ccc(/C=C\C(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1 31870595 XKNNUKNWGSSCRT-KHPPLWFESA-N 352.478 3.720 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@H]1OC(=O)c1ccc(O)cc1 253487371 JJEBKVFRHNKOBW-ABYQTFABSA-N 374.477 3.838 30 40 FHEB Clc1ccccc1/C=N\n1cnnc1N/N=C/c1ccccc1Cl 5678777 GXPRMDOTUXFSAO-QOLNZVEYSA-N 359.220 3.913 30 40 FHEB C=CCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21 100874909 UVJOIPJQPIWRCD-ZPHPHTNESA-N 357.460 3.650 30 40 FHEB C/C(=N\c1cccc(N)n1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 4701071 QQGHHZWBKNNBPA-ZVHZXABRSA-N 370.412 3.814 30 40 FHEB C[C@H]1C[C@H](C)CN(/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 100902810 YTMXFXCIRZRDAL-PXXMEWNWSA-N 374.481 3.939 30 40 FHEB CCOc1cc2c(cc1/C=C1\S/C(=N\C3CCCC3)NC1=O)O[C@H](C)C2 43080441 YKEKVGXSSQILMQ-OTWJJXBCSA-N 372.490 3.911 30 40 FHEB N#Cc1cc(NC(=O)Cc2ccccc2F)ccc1OCC(F)(F)F 36394668 PZQPJYAPRNUBOB-UHFFFAOYSA-N 352.287 3.820 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccc(Cl)cc1 3320283 UPRVDZIBZBYTNA-UHFFFAOYSA-N 369.877 3.704 30 40 FHEB N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCCC2 13254993 USAVKBJXMFOQMQ-AWEZNQCLSA-N 354.431 3.696 30 40 FHEB Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)cc1 6212015 SVOONLMPFOIDRT-YODDIOPGSA-N 357.866 3.813 30 40 FHEB C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(C(=O)OC)cc1 15978063 HEFYTOUZQOTBMX-AMOJMVCLSA-N 367.430 3.565 30 40 FHEB N#Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 7807736 YIHVZQLKLLVMEZ-UHFFFAOYSA-N 372.428 3.637 30 40 FHEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408874131 YZJWWUDBDURQGP-FRKPEAEDSA-N 363.786 3.579 30 40 FHEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccncc1 408590204 GTCHJBIEVOKACI-CIAFOILYSA-N 350.378 3.948 30 40 FHEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1O 3191586 SRSTWDNZWYRKCI-YBFXNURJSA-N 361.785 3.541 30 40 FHEB N#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 6926130 GHZDHAIGTSCUSN-UHFFFAOYSA-N 366.380 3.935 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C#N)c1C 2736366 XWRWZXPZVGOSQQ-UHFFFAOYSA-N 371.462 3.671 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 104615445 XMQIYVCNLMJDDP-NRKLIOEPSA-N 357.523 3.992 30 40 FHEB N#Cc1ccccc1S(=O)(=O)Nc1c2c(nc3ccccc13)CCCC2 12630263 HYWGIIACLJVMFS-UHFFFAOYSA-N 363.442 3.786 30 40 FHEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 58163093 ISTVTLLUZCWGNO-CYBMUJFWSA-N 364.430 3.813 30 40 FHEB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)/C(=N/O)S1 36633745 VPENRRTVRRIZGF-NNLSSIJJSA-N 366.402 3.596 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C=Cc2ccccc2[C@H]1C#N 254557382 UWFUQBJWSJTGPZ-IPMKNSEASA-N 350.418 3.598 30 40 FHEB CCOC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516831 XCRYNPIESBCHRL-XUVXKRRUSA-N 373.449 3.620 30 40 FHEB CCN(CC)CC#CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1CC=CCC1 96031328 JLKIQERNEYLJLA-SIKLNZKXSA-N 361.526 3.543 30 40 FHEB in-vitro Cc1ccc(N=CN(C)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1543258992 JKNHMDPARRSKQE-UHFFFAOYSA-N 359.298 3.516 30 40 FHEB C=CCC1=C[C@@](OC)([C@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O 13480170 SMOHLDSEWHACKE-SPLOXXLWSA-N 356.418 3.595 30 40 FHEB biogenic,in-vitro CC(=O)Nc1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1 6363455 OPBVKIPGGGEKLU-DJKKODMXSA-N 368.418 3.626 30 40 FHEB N#Cc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 9376109 SPNUSRNCPRZHDJ-UHFFFAOYSA-N 357.816 3.954 30 40 FHEB O=C(Nc1ccc(C/C(O)=N/c2ncn[nH]2)cc1)c1cc2ccccc2o1 55221230 IDYCIMVUAHSTRW-UHFFFAOYSA-N 361.361 3.634 30 40 FHEB C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(O)c1O 12657196 CIWWJXSPLBGJFY-DLICXRCESA-N 365.414 3.787 30 40 FHEB N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 96004133 WVKVGXUWSWGIPU-NHYWBVRUSA-N 363.343 3.705 30 40 FHEB N#CCSc1ccccc1NC(=O)CNc1c(F)cc(F)cc1F 72312407 HECNXVSCGBIHTE-UHFFFAOYSA-N 351.353 3.770 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 9949630 BZRFJXKLRHHADM-ZDUSSCGKSA-N 360.460 3.581 30 40 FHEB N#CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408750514 OGDSDVRTINVELI-GXHLCREISA-N 366.164 3.645 30 40 FHEB COc1cccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1 1505840538 NHRGULKRSPCOFH-FSJBWODESA-N 356.385 3.720 30 40 FHEB N#C[C@H](C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 48824430 NOSVYZOUVBPZBQ-CJNGLKHVSA-N 365.389 3.805 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 15512037 SUKZATFJXWBNKZ-KRWDZBQOSA-N 355.397 3.703 30 40 FHEB C=C1CC[C@@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]2(C)[C@@H]1CC/C(C)=C/C(=O)O 257370960 GKBWOXATOXYNRG-QNCBNYRJSA-N 350.455 3.632 30 40 FHEB biogenic,in-vitro C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 1454865 MWTFVEADAJSREB-UHFFFAOYSA-N 353.407 3.727 30 40 FHEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1Cl)c1ccc(N)cc1O2 36559233 OOXCZVSNJHAVMK-HNNXBMFYSA-N 363.808 3.639 30 40 FHEB C=CCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccccc21 11650685 YFPHMZIEPAIAGP-UHFFFAOYSA-N 362.458 3.831 30 40 FHEB CN(C)c1ccc(NC(=O)CSc2nc3ccccc3cc2C#N)cc1 1331001 FTSMHYHGAOKGJF-UHFFFAOYSA-N 362.458 3.903 30 40 FHEB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2cn3ccccc3c2C#N)cc1 32895767 HWRPBMBNAWJGSJ-HNNXBMFYSA-N 362.385 3.524 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1 21989157 JAGGHYJKWPDWEB-UHFFFAOYSA-N 372.380 3.732 30 40 FHEB CC1(C)C(=O)/C(=N/O)C[C@@]2(C)C1=CC[C@H]1[C@@H]3C/C(=N\O)C(=O)[C@@]3(C)CC[C@@H]12 118924816 BUFWXPAPYJPVKI-VRDPBJGZSA-N 372.465 3.604 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)CC(F)(F)F 70920581 FQDKMLMZQQHZRW-GFCCVEGCSA-N 352.312 3.510 30 40 FHEB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4611771 KQWSFSCGHQOOKF-XBFCOCLRSA-N 358.463 3.740 30 40 FHEB C=CCN(C(=O)c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 32772696 COZSJWRVGMAATG-UHFFFAOYSA-N 361.430 3.710 30 40 FHEB Cc1ccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)cc1C 225841445 ZJOFMCPDJIRUBV-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB N#CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96037806 AOXMQBHPQDRXDN-UHFFFAOYSA-N 358.357 3.793 30 40 FHEB COc1cc(OC)c(OC)cc1/C=C1/S/C(=N\c2ccccc2)NC1=O 13476979 IKMRECZPMXQYPI-LICLKQGHSA-N 370.430 3.604 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 5408784 HWHDGPLQABSYSS-GOSISDBHSA-N 367.376 3.599 30 40 FHEB CCOC(=O)c1sc(NC(=O)COc2cc(C)ccc2C)c(C#N)c1C 783741 ZFISJKFTVANYAM-UHFFFAOYSA-N 372.446 3.739 30 40 FHEB CC/C(=N\N=c1\sc2ccccc2n1C)c1ccc(OC)c(OC)c1 33782966 LCOGJCRHEYQJQI-UCUGPLMPSA-N 355.463 3.972 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 22520957 YQIOYIPSPCELDE-KRWDZBQOSA-N 354.450 3.639 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1 409306252 PQGIJJKWWKKZEF-UHFFFAOYSA-N 374.213 3.743 30 40 FHEB COC[C@H](C)n1c(SCc2ccccc2C#N)nc2ccccc2c1=O 3542480 VWNIXMFYYSWQJX-AWEZNQCLSA-N 365.458 3.768 30 40 FHEB CC1(C)C(=O)/C(=N\O)C[C@@]2(C)C1=CC[C@H]1[C@@H]3C/C(=N/O)C(=O)[C@@]3(C)CC[C@@H]12 118924823 BUFWXPAPYJPVKI-WXMDSDGBSA-N 372.465 3.604 30 40 FHEB CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 4436342 RTRWJJHLGLOGCV-MRXNPFEDSA-N 370.478 3.754 30 40 FHEB Cc1nnc(SCC(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 4925434 KQDFIFJNNGVYOF-UHFFFAOYSA-N 355.467 3.694 30 40 FHEB COC(=O)c1cccc(CN2CC[C@@H](CSc3ccccc3)C2)c1C#N 89406959 MWVYYPRGERPQKT-MRXNPFEDSA-N 366.486 3.959 30 40 FHEB COc1cccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)c1 408753975 SETMAPKVJJDYKF-MHWRWJLKSA-N 369.402 3.803 30 40 FHEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(F)cc3)CC1)O2 225823536 XLLMJASGFSJBDC-UHFFFAOYSA-N 350.393 3.697 30 40 FHEB O=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)F 169795658 GFGRNNLZDJOZRI-UHFFFAOYSA-N 358.103 3.873 30 40 FHEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc1 5551651 PKANXSCULAFOGE-ATVHPVEESA-N 354.431 3.986 30 40 FHEB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)[C@](C)(N=C(C#N)C#N)O1 3058508 PTGYOVVYWIEVNT-YLJYHZDGSA-N 351.406 3.620 30 40 FHEB N#Cc1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCCC2 4194660 FYLCHDZQXCOPCB-UHFFFAOYSA-N 354.431 3.912 30 40 FHEB Cc1ccccc1CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)[nH]1 6318946 UNBCBNHTOCSQQZ-VCHYOVAHSA-N 368.422 3.760 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)n1 5643447 GRGFVKTYTZCQEK-GFCCVEGCSA-N 371.428 3.852 30 40 FHEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 409105686 JCYFLOWGQVLOJV-COOUDCDJSA-N 368.414 3.786 30 40 FHEB C#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 43867407 YWCKIQCRKHNUOY-HXUWFJFHSA-N 363.413 3.782 30 40 FHEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 224604746 CWHZGXARANVTET-UHFFFAOYSA-N 361.463 3.865 30 40 FHEB CCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O 85480138 NBMAHNZMRSQCPG-SFHVURJKSA-N 358.475 3.945 30 40 FHEB CC(C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 5633298 VTMBQXBMZVAOJR-HUUCEWRRSA-N 372.490 3.971 30 40 FHEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13683732 FIAKAUIKHNWMIQ-OCKHKDLRSA-N 360.369 3.643 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)Cl)cc1 4452228 SERGBAZVZLLPIJ-UHFFFAOYSA-N 352.724 3.744 30 40 FHEB CN(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1826688 MVOSBXFNGZBZLU-ODLFYWEKSA-N 357.870 3.835 30 40 FHEB CN(C)S(=O)(=O)c1cc(/N=C/c2ccccc2)ccc1N1CCCCC1 59489788 FHBNOOYHMYKLIJ-LTGZKZEYSA-N 371.506 3.678 30 40 FHEB C=CCN(Cc1ccccc1F)C(=O)C[C@@H](NC(C)=O)c1cccs1 58202372 OAWNYKWKNWJDOY-QGZVFWFLSA-N 360.454 3.669 30 40 FHEB Cc1cc(=O)n2nc(Oc3ccc(-c4ccc(C#N)cc4)cc3)sc2n1 12892589 YTESPOMXCSUYLK-UHFFFAOYSA-N 360.398 3.790 30 40 FHEB COc1cc2c(cc1OC)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 18197216 WCPJBEKMEYORIC-HXUWFJFHSA-N 351.402 3.974 30 40 FHEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 5180295 RIDWHSLLVBSAKU-UHFFFAOYSA-N 368.462 3.645 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 408731047 KEJYIHSHUAJNEK-GOSISDBHSA-N 367.430 3.894 30 40 FHEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccccc2)cc1)S(C)(=O)=O 44901467 WPWYJDADQPOGKE-IBGZPJMESA-N 372.490 3.520 30 40 FHEB N#CC[C@H]1CCCN(Cc2cccc(CN3CCC[C@H](CC#N)C3)c2)C1 595620027 JVBKLGOOKJNBAV-WOJBJXKFSA-N 350.510 3.938 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccccc1C 13582702 HFQHTMUNHGXRQL-MYAASBOSSA-N 367.474 3.858 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 14013540 YUQXVRGKOOBLBK-LJQANCHMSA-N 352.434 3.707 30 40 FHEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 19597461 HAYPQNLUPOKHME-LICLKQGHSA-N 370.836 3.708 30 40 FHEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccncc1 19808647 GPZDYTLXFCWDQP-UQQQWYQISA-N 354.457 3.803 30 40 FHEB CC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100222685 YKIGIKLABXBCDX-UHFFFAOYSA-N 354.115 3.638 30 40 FHEB in-vitro O=c1c2c3c(sc2nc(SC[C@H]2CO2)n1-c1ccccc1)CCCC3 3078659 GNBUAGGRHTXBPY-CYBMUJFWSA-N 370.499 3.817 30 40 FHEB CCOc1ccccc1/C=N/OCC(=O)N[C@H](C)CCc1ccccc1 3319497 NNBCVTCLYXQKFY-HRKXOBMBSA-N 354.450 3.573 30 40 FHEB CC(C)c1ccc(C#N)c(S[C@H]2CC(=O)N(c3ccccc3)C2=O)n1 113639847 WZDGFYOIVOFNJB-INIZCTEOSA-N 351.431 3.501 30 40 FHEB C=CCn1c(C)cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1C 5253616 CXIDKIKIABHOMD-UHFFFAOYSA-N 355.825 3.537 30 40 FHEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21 4485603 GWIDDDKANHKGGR-UHFFFAOYSA-N 355.438 3.770 30 40 FHEB COCCn1c(C)cc(/C=N/Nc2ncnc3sc(C)c(C)c23)c1C 5938845 YXEKYDNKAWPVIT-ZVBGSRNCSA-N 357.483 3.819 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 225112575 LYEWJUIHDSJXCW-UHFFFAOYSA-N 354.431 3.900 30 40 FHEB CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 95911305 NZRACXOBLXBSFK-XBWUDYBRSA-N 374.477 3.672 30 40 FHEB biogenic,in-vitro CCOc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@H]2c2ccccc2)cc1 12296365 BSNJBJABIOPHIL-KVDXNUTJSA-N 362.429 3.948 30 40 FHEB biogenic C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(C(=O)OC)=C1C 5465356 OAGYSAOTTUGCFN-XFXZXTDPSA-N 352.217 3.852 30 40 FHEB COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)ccc1O 4472818 CEYSJUACBKYCKN-OQLLNIDSSA-N 360.822 3.946 30 40 FHEB O=C1/C(=N\O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 100897574 JRTNHHLJAFBVSY-LNVKXUELSA-N 358.397 3.991 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)no1 5800509 PSAWGMSCKIJFMD-GOSISDBHSA-N 360.369 3.766 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O 104802870 NEZCPCJFQLUVCA-SFHVURJKSA-N 372.380 3.896 30 40 FHEB CCC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 1422179 BZRIRAPFINYWKW-UHFFFAOYSA-N 361.401 3.652 30 40 FHEB Cc1ccsc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21 22608718 FSQMMTFWANCZJS-ZBEGNZNMSA-N 352.419 3.657 30 40 FHEB O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccnc1 2195868 RHOJBZSWTQCSGF-JYRVWZFOSA-N 360.236 3.736 30 40 FHEB COc1ccc(CN/N=C/c2c(OC)ccc3ccccc23)cc1OC 20196066 UTFUYMJEJBTRAQ-OEAKJJBVSA-N 350.418 3.989 30 40 FHEB CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 4436288 KQPBWACHZYKECS-INIZCTEOSA-N 354.479 3.967 30 40 FHEB C=CCn1cnn(CN2CCC(c3nc4ccccc4o3)CC2)c1=S 14187204 ZZMMIYSNMPVYAW-UHFFFAOYSA-N 355.467 3.578 30 40 FHEB CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 8993176 YKLHQISQSJBDSC-UHFFFAOYSA-N 371.428 3.858 30 40 FHEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408883184 RVPYCOIGNAPBEF-LZYBPNLTSA-N 350.718 3.611 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)cc1 35212350 CQRVAOVGELNQBP-WWUDWGLGSA-N 353.447 3.549 30 40 FHEB COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCC#N)cc1 5008297 XNKROEWQYSTNOZ-UHFFFAOYSA-N 366.446 3.779 30 40 FHEB O=C1C=C/C(=N/c2ccc3c(c2)Cc2cc(NC(=O)C(F)(F)F)ccc2-3)O1 17162354 GBRZPGWJMSJVQB-KQWNVCNZSA-N 372.302 3.902 30 40 FHEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(ccc3ccccc32)[nH]1 102387429 IDHIIVYXGXCARA-MRXNPFEDSA-N 354.369 3.677 30 40 FHEB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 8273669 YSOSMPIVXCPDIA-UHFFFAOYSA-N 362.408 3.891 30 40 FHEB CC(C)CCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 10339493 KIJJPXKWFWNSTO-VBKZILBWSA-N 366.465 3.971 30 40 FHEB N#Cc1nc(COc2ccccc2F)oc1NCc1ccc2c(c1)OCO2 794764 DENIOIJSSSMVIK-UHFFFAOYSA-N 367.336 3.605 30 40 FHEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)c(Cl)c1)CCCC3 980688 ZGFLZIVVHNPXOM-DNTJNYDQSA-N 359.838 3.578 30 40 FHEB CCN1CCN(c2cc3sc(NN=C(C)C)nc3cc2Cl)CC1 57332270 QWXHKFVXFYRLFV-UHFFFAOYSA-N 351.907 3.899 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N(C)C)o2)cc1 27664179 BFFYUXOLKQCOJB-INIZCTEOSA-N 352.394 3.530 30 40 FHEB N#C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Br 58202561 VLMWYHRNWNBASF-OFAQMXQXSA-N 355.235 3.713 30 40 FHEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCC)CCC 2357516 VOELVNPPNDZIIU-OAHLLOKOSA-N 352.438 3.593 30 40 FHEB N#Cc1ccccc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3373083 LEJJNRBWLNKPCZ-UHFFFAOYSA-N 367.408 3.554 30 40 FHEB NC(=O)COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1 408804370 FAJVUEJAKKRFFY-OYKKKHCWSA-N 360.413 3.880 30 40 FHEB N#Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 7580413 VSNQOBUULZBUQW-UHFFFAOYSA-N 351.431 3.854 30 40 FHEB COc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1CC#N 9494341 BVKYAHKPNXDYKD-UHFFFAOYSA-N 350.403 3.532 30 40 FHEB CN(C)c1ccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)cc1 33723099 LPOAFDBZDOMCIL-QNGOZBTKSA-N 363.490 3.864 30 40 FHEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OCC)cc1 224594848 JWJHDDFKSMEXSL-UHFFFAOYSA-N 356.447 3.533 30 40 FHEB CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583255 CMNKJRDKAIALPY-KRWDZBQOSA-N 371.458 3.687 30 40 FHEB CCCCC1CCC(c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)CC1 8867812 RNSNEBKUYZBMTE-UHFFFAOYSA-N 358.486 3.712 30 40 FHEB CCC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)s1 4651807 BBIKWMSBTOHGID-GHRIWEEISA-N 372.899 3.893 30 40 FHEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCC(F)(F)F 95953657 RQDUQHNVEVFOEC-LBPRGKRZSA-N 359.417 3.904 30 40 FHEB COc1cccc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O 32916747 YEJGKUDVZIHDQM-MHWRWJLKSA-N 354.431 3.909 30 40 FHEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)N2 43932799 WUQGTLWCZYTEPM-UHFFFAOYSA-N 366.204 3.779 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 14165012 KRCXDGREQPWMQR-BMIGLBTASA-N 362.355 3.873 30 40 FHEB O=C(/C=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 18098403 RMAASGYPYIMVKB-QZEKMECESA-N 368.820 3.803 30 40 FHEB O=C(/C=C/[n+]1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 5252618 ICTJHFZUIRLVNA-NTEUORMPSA-N 358.259 3.690 30 40 FHEB COc1ccc2c(c1)CCC/C2=N/OC(=O)c1ccc(OC)c(OC)c1 5352047 FSYJKWBHWISVHX-FXBPSFAMSA-N 355.390 3.610 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 6297260 ORVHENXSRVOINE-ODCIPOBUSA-N 355.316 3.572 30 40 FHEB C=CCc1ccc(OCC(=O)Nc2cc(C#N)cc(F)c2C)c(OC)c1 40122784 ZRODDZITUUXMDI-UHFFFAOYSA-N 354.381 3.760 30 40 FHEB C=CCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42470271 DTHYQCLYKHRAJP-MRXNPFEDSA-N 373.522 3.831 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1O 12976977 CGBKYIYCNHQVCT-HWKANZROSA-N 373.792 3.671 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(N(C)C)cc1 4821533 VUXJHYQFPWFCAW-FXAWDEMLSA-N 353.418 3.665 30 40 FHEB N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 7670521 NWYIWVLDUAZEFE-INIZCTEOSA-N 363.442 3.994 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409043152 ZSXRBDMNLGIGOL-YBEGLDIGSA-N 361.488 3.564 30 40 FHEB C=CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC 408554808 FTXUEKNXYHODQG-UHFFFAOYSA-N 357.406 3.920 30 40 FHEB CN(C)c1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408588425 BMWWTQVTAVGFGJ-RGVLZGJSSA-N 358.239 3.937 30 40 FHEB Cc1cc(C)c2ncc(C#N)c(N3CCCN(c4ccc(C)nn4)CC3)c2c1 302727738 KLQILUSDYIYFET-UHFFFAOYSA-N 372.476 3.538 30 40 FHEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 224683695 UPHVFCNOMZGZOZ-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB Cc1cc(C)[n+]2c(c1C#N)S/C(=C1\Sc3ccccc3N1C)C2=O 1554502574 MDFPMFGFCCDKPZ-SDXDJHTJSA-N 352.464 3.620 30 40 FHEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@H](C)O2 18054443 LRYIVOPPHVXKTP-RNODOKPDSA-N 350.418 3.771 30 40 FHEB CC(=O)Nc1ccccc1SCC(=O)Nc1sc(C)c(C)c1C#N 8332670 YAPKSPWYFDFRTO-UHFFFAOYSA-N 359.476 3.926 30 40 FHEB CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2195263 DPKMVDJFCASFAW-MRXNPFEDSA-N 366.465 3.817 30 40 FHEB N#Cc1ccc(NCc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 25571257 GQAMHDPVCFNAFI-UHFFFAOYSA-N 362.345 3.924 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 3901702 YROCQRKDIPKBCT-FQEVSTJZSA-N 351.446 3.946 30 40 FHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)c1 5917224 HHKMNHMGQBVIBR-GOSISDBHSA-N 365.429 3.859 30 40 FHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(O)c(OCC)c2)c1C 8078835 BXTOUXDJVOFITF-CSKARUKUSA-N 357.406 3.809 30 40 FHEB N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 96004131 WVKVGXUWSWGIPU-ABAIWWIYSA-N 363.343 3.705 30 40 FHEB O=S(=O)(/N=C(\O)C[C@H]1CCCCO1)c1cc(Cl)sc1Cl 88800743 ZFQUECHWAOXYHC-SSDOTTSWSA-N 358.268 3.659 30 40 FHEB CC(=O)Nc1sc(N/N=C\c2ccc(O)cc2)nc1-c1cccs1 31906048 SWFVPBGTOPXYQV-MFOYZWKCSA-N 358.448 3.982 30 40 FHEB O/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 216810681 MEDAECLSDPCVAI-IUXPMGMMSA-N 371.149 3.817 30 40 FHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007253 YNIHWRFZBRMOLC-UHFFFAOYSA-N 370.789 3.769 30 40 FHEB CCO[C@@H]1C[C@H](/N=C(/O)N2CCC(Cc3cccnc3)CC2)C12CCC2 329107773 IDLNMBWDAOJEEQ-RBUKOAKNSA-N 357.498 3.598 30 40 FHEB Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585295051 YJGVISXODFCBLC-LJQANCHMSA-N 360.421 3.725 30 40 FHEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccncc1 19808650 GPZDYTLXFCWDQP-KOEQRZSOSA-N 354.457 3.803 30 40 FHEB COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1cccc(Cl)c1 6126798 FYDQWUDGZVUCDH-UHFFFAOYSA-N 365.216 3.569 30 40 FHEB C#CCN(Cc1ccco1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 60182965 JYUNATVGCXNKSM-UHFFFAOYSA-N 369.808 3.578 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)c3cnn(-c4ccccc4)n3)c2C#N)C1 7717878 POAHJSJSFSEWMB-GFCCVEGCSA-N 363.446 3.578 30 40 FHEB COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O 104896565 ZIUSSTSXXLLKKK-JXTJPBKQSA-N 368.385 3.853 30 40 FHEB in-vitro Cc1ccc(/N=C2/C(=O)Nc3ccccc32)cc1I 12462346 LFCSUVPOKKDSMK-UHFFFAOYSA-N 362.170 3.673 30 40 FHEB O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 58583002 RBLFTIDQFBHKID-FPYGCLRLSA-N 354.753 3.725 30 40 FHEB C=CCn1c(SCC(=O)c2ccccc2F)nc2ccccc2c1=O 3264815 NTKAHVDFERSOTF-UHFFFAOYSA-N 354.406 3.697 30 40 FHEB N#Cc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4C3)n2)cc1 12813907 ODIQLCGRHCSYJQ-INIZCTEOSA-N 361.426 3.872 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCC3 6112725 JYCAGUNQAAVLQC-BBATYDOGSA-N 374.535 3.715 30 40 FHEB COC(=O)c1sc(NC(=O)c2ccc(OC)c(Cl)c2)c(C#N)c1C 4537769 DRBLAAKEFKEKOI-UHFFFAOYSA-N 364.810 3.629 30 40 FHEB COc1ccc(/C=C/c2nc(C#N)c(N3CCC(C)CC3)o2)cc1OC 7260666 DVZOZVCZNSSHCW-FNORWQNLSA-N 353.422 3.970 30 40 FHEB C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 33327306 XXOSPIDDNXHPCF-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB Cc1ccc(C(=O)NCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312932 KOORRRBLJOLECS-UHFFFAOYSA-N 358.445 3.874 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2Cl)ccc1OC 33658349 AGQDIYWSPVSQSS-JAIQZWGSSA-N 362.813 3.737 30 40 FHEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029592 DZOLUDCYYAYMIR-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CN1c2ccccc2C(=O)N2CCc3c(n(CCC#N)c4ccccc34)[C@H]21 1772715869 DKBNPFHMQJDHEB-NRFANRHFSA-N 356.429 3.702 30 40 FHEB C(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1cccs1 16430451 YCMQQLRBCTVJNP-HMMYKYKNSA-N 370.526 3.965 30 40 FHEB O=C(NC1(C#Cc2cncc3ccccc23)CCCCC1)c1cnccn1 12337480 DPKRXYWEVXSOEG-UHFFFAOYSA-N 356.429 3.509 30 40 FHEB C[C@H]1CCCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)C1 16609101 PCKFIEFIOXESBV-DCBSDEPNSA-N 351.425 3.983 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 100562453 PWLMDOCRAWILST-HXUWFJFHSA-N 368.477 3.674 30 40 FHEB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 6430992 GQYYUTXZAMURPR-UHFFFAOYSA-N 354.431 3.603 30 40 FHEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 25293794 ODUWYIXDSORQCB-UHFFFAOYSA-N 374.194 3.501 30 40 FHEB COc1cc(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1O 57525121 AHRTYILNRPALTE-GFCCVEGCSA-N 364.323 3.741 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2c(c1)OCCO2 3297479 VQEFHTUPXZRCAG-UHFFFAOYSA-N 360.822 3.714 30 40 FHEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OCC)cc1 12813151 QWWVQQRFIOMJNX-SDNWHVSQSA-N 373.474 3.670 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1CC 20107365 OYWQZJCIZFVBIW-OAHLLOKOSA-N 352.434 3.571 30 40 FHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1N1CCCC1 408848794 UILMTNSADCWDSA-UNOMPAQXSA-N 369.381 3.858 30 40 FHEB CC(=O)Nc1ccc2c(COc3ccc(C#N)cc3Cl)cc(=O)oc2c1 14643115 PTDKAIOBKCYVOO-UHFFFAOYSA-N 368.776 3.855 30 40 FHEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Br)ccc2O)cc1 5261807 OEWMEZGCOMYYML-LICLKQGHSA-N 364.199 3.594 30 40 FHEB C[C@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1(Cl)Cl 21143942 JCYKOBRSXKENGF-CYBMUJFWSA-N 350.167 3.757 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)CN3CCn4cccc4[C@H]3C)c2C#N)C1 103508106 HOZOLXLZYLTADS-UONOGXRCSA-N 368.506 3.561 30 40 FHEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1C 101514895 GWPYTXZHYRTKIW-LLPDMMGZSA-N 368.506 3.692 30 40 FHEB C=CCn1c(C)cc(C2=NN=C(NCc3ccc(OC)cc3)SC2)c1C 10217412 FJAHIOBZVZFBBT-UHFFFAOYSA-N 368.506 3.896 30 40 FHEB CCOC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2309731 DSPOBIKWFDKLCP-UHFFFAOYSA-N 361.213 3.635 30 40 FHEB CCCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1OC 13344212 SLJCMWHUAFMQHZ-ONNFQVAWSA-N 370.401 3.844 30 40 FHEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/N=C2CCCCCC2)NC1=O 13402473 BWJQNYYVFLBUAY-INIZCTEOSA-N 372.494 3.621 30 40 FHEB Cc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)c(C#N)c(C)c1C 5089464 DHCVQRBYRXDSPZ-UHFFFAOYSA-N 364.474 3.607 30 40 FHEB CCOC1(OCC)O[C@@](C#N)(c2ccc(Cl)cc2)C1(OCC)OCC 4568277 YJQWRRBQCVAUBJ-INIZCTEOSA-N 369.845 3.585 30 40 FHEB Cc1sc2ncnc(N/N=C3\C(=O)N(C(C)C)c4ccccc43)c2c1C 6685287 FULXBAXGFYFGHH-JWGURIENSA-N 365.462 3.879 30 40 FHEB C=CCOc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1Cl 83881701 ZEEAZWOHLNNAAZ-UHFFFAOYSA-N 372.900 3.664 30 40 FHEB Cc1nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)ccc1C#N 79103371 YZJXNPSXUJSTCJ-MRXNPFEDSA-N 351.406 3.513 30 40 FHEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(O)c(Br)c1 409065642 JXGGYDKYGNSHFY-OMCISZLKSA-N 371.578 3.557 30 40 FHEB CC(=O)[C@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@@]1(C)O 66091575 KKHGJDYWHZQWDQ-FNAHDJPLSA-N 358.441 3.947 30 40 FHEB CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895401 NURNUALDLDBKNZ-QHAWAJNXSA-N 357.388 3.942 30 40 FHEB C=C(C)COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 219778848 HLSNLIADBBUREB-UHFFFAOYSA-N 354.425 3.743 30 40 FHEB CN1CCN(CCOc2ccc(-c3ccccc3C3(C#N)CC3)cc2)CC1 592987075 OTGMYIHMZKRHGF-UHFFFAOYSA-N 361.489 3.535 30 40 FHEB Cc1nc(C)c([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 56022376 UNTIOCQQGLGHEC-NSHDSACASA-N 354.435 3.815 30 40 FHEB COc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2C)c(OC)c1OC 3232790 UWDWXELPXSXXET-RGVLZGJSSA-N 373.478 3.650 30 40 FHEB O=C(/C(=N\Nc1ccccc1)c1nc2ccccc2oc1=O)c1ccccc1 17201709 FOIOQRDLZZMGHE-PLRJNAJWSA-N 369.380 3.887 30 40 FHEB COc1cc(/C=C/C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)ccc1OCC#N 32986266 JQXRODWDWNUWKW-XJMNNFRSSA-N 354.450 3.649 30 40 FHEB COC(=O)C1=C(SC)N(c2ccccc2)[C@@H](c2ccccc2)CC1=O 707797 YJQAUBWMXFNMRG-MRXNPFEDSA-N 353.443 3.955 30 40 FHEB CC(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(C#N)cc1 6549495 PRCFYCOAYKOBDT-QGZVFWFLSA-N 351.793 3.566 30 40 FHEB Cc1ncc(CO)c(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O 7778948 TYWUKFNOLOZSBX-AERZKKPOSA-N 359.735 3.706 30 40 FHEB Cc1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 409093633 AWHFZRCLLGTFDJ-VXLYETTFSA-N 367.321 3.912 30 40 FHEB C=CCOc1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1 38756975 GPHXADLMEGVKIO-UHFFFAOYSA-N 359.447 3.999 30 40 FHEB N#Cc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 33758490 IIPLSYDUVCICCJ-BUVRLJJBSA-N 350.381 3.817 30 40 FHEB COc1cccc(OC)c1CCC(=O)Nc1ccc(C2(C#N)CC2)cc1 225993341 JRIIJRKDDYUAOG-UHFFFAOYSA-N 350.418 3.830 30 40 FHEB C=CCc1cc(C(=O)NCc2ccccc2CN2CCCC2)ccc1OC 224778715 LOBGMFUJXOQAJL-UHFFFAOYSA-N 364.489 3.950 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OCCCO2 11760508 HRXSVYSDFFCKAH-UHFFFAOYSA-N 363.373 3.664 30 40 FHEB CN(Cc1ccc(Br)cc1)C(=O)NCC#Cc1ccccc1 40071278 QSPXJUFTXBIAAV-UHFFFAOYSA-N 357.251 3.642 30 40 FHEB CCN(CC)/C(=C/C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 1655478 JIOFZUZPYZAURB-HMMYKYKNSA-N 367.445 3.995 30 40 FHEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6295379 OINPFKHOPMRSQB-GOSISDBHSA-N 369.417 3.644 30 40 FHEB N#Cc1ccc(OCCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 32945316 GTXNMVWAVTVESO-UHFFFAOYSA-N 361.184 3.540 30 40 FHEB N#C[C@@H](C(=O)/C=C/c1nccs1)C(=O)Nc1cccc(Cl)c1Cl 104095897 QFLBIJAMDAKFMA-MOVJSRMASA-N 366.229 3.811 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@]1(C)O 107173226 KKHGJDYWHZQWDQ-LRSLUSHPSA-N 358.441 3.947 30 40 FHEB CC/N=C1\S/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)N1CC 100248981 CTTXVUORKGUYPK-YWKYIXQJSA-N 355.463 3.798 30 40 FHEB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)o2)cs1 12619008 FRLNWIRMIXTRJJ-GFCCVEGCSA-N 367.430 3.667 30 40 FHEB Cc1c(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C#N)cc1[N+](=O)[O-] 48275916 JKAJRLLSJMABSK-GFCCVEGCSA-N 350.378 3.833 30 40 FHEB CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)n1 12894591 MSYHZNDSHNRSQZ-AWEZNQCLSA-N 354.479 3.955 30 40 FHEB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C#N 7032659 JHHZACIPHSGVEB-SNVBAGLBSA-N 363.186 3.866 30 40 FHEB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 409143312 LSAUCUBQCUIULB-MHWRWJLKSA-N 354.387 3.501 30 40 FHEB S=C(N/N=C\c1ccccc1Cl)N/N=C/c1ccccc1Cl 38798999 FUUVSZMLLGHFDE-MXYCIJPUSA-N 351.262 3.826 30 40 FHEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 36611322 MQAFXTRRFSEDOW-DJKKODMXSA-N 364.377 3.992 30 40 FHEB OC(=Nc1cnc2c(c1)CCCC2)N1CCO[C@]2(CCc3ccccc32)C1 329474286 SSQOJXDZIBGWHH-JOCHJYFZSA-N 363.461 3.680 30 40 FHEB O=C(NCC#Cc1ccccc1)C1(c2cccc(Br)c2)CC1 58369517 QENCMJCVSQSSCN-UHFFFAOYSA-N 354.247 3.649 30 40 FHEB COc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2C#N)ccc1OC1CCCC1 1615555843 XZPZSAUPIVLFDQ-FUHWJXTLSA-N 371.481 3.898 30 40 FHEB C=CCN(c1ccc(CNCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 11117873 ZSPWWOOPXUOUBX-UHFFFAOYSA-N 364.898 3.582 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959740 ZWIICZDUCBQWEY-ZUZCIYMTSA-N 362.355 3.873 30 40 FHEB O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)COc2ccccc21 21189929 QXXWYYGYACMFRN-NBVRZTHBSA-N 372.424 3.730 30 40 FHEB N#CCSc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 21709111 LQWGPPQFALRXNB-UHFFFAOYSA-N 351.431 3.681 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccccc2)c1 32908479 XBRRUVIHUDFVNC-UHFFFAOYSA-N 364.408 3.919 30 40 FHEB Cc1ccc(C)c(OCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 6034130 NAQYLGQIXPVLIM-INIZCTEOSA-N 366.417 3.514 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)CCC4 2787482 IRULMTUXKGHGGU-NSHDSACASA-N 361.430 3.839 30 40 FHEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C 118927211 YVDQADLLUPNXKI-BUPQPSJMSA-N 364.432 3.943 30 40 FHEB C=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(C)=O)c1cccs1 58202371 OAWNYKWKNWJDOY-KRWDZBQOSA-N 360.454 3.669 30 40 FHEB COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccccc3OC)o2)c1 20761767 FVHVWGCCHBIEQL-OEAKJJBVSA-N 364.401 3.866 30 40 FHEB C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 2469465 XGFHXLZQGHYMDJ-ZDUSSCGKSA-N 369.417 3.596 30 40 FHEB CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 408961152 ASTRTACVPQUYJX-DSGQZADNSA-N 369.402 3.924 30 40 FHEB Cc1sc2ncnc(N/N=C/c3ccc(N4CCOCC4)s3)c2c1C 5166302 RTQFOCICGRVPKR-AWQFTUOYSA-N 373.507 3.652 30 40 FHEB O=S(=O)(N/N=C/c1ccc2ccccc2c1O)c1ccc(Cl)cc1 6342387 CESJWIDORBGBBK-YBFXNURJSA-N 360.822 3.511 30 40 FHEB C=CCSc1nnc(NC(=O)Cc2cccc(Br)c2)s1 225624613 QOEBTYUTPUCSCB-UHFFFAOYSA-N 370.297 3.760 30 40 FHEB N#Cc1ccccc1N1CCCN(Cc2nc3cc(F)ccc3o2)CC1 610681297 HBNZHACNZIPYGK-UHFFFAOYSA-N 350.397 3.551 30 40 FHEB Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccc(C#N)cc2)c(C)c1 8087134 LTUSJDSRNFVQDX-MDZDMXLPSA-N 361.445 3.594 30 40 FHEB CCOc1ccc(-n2c(C)cc(/C=N/n3c(S)nnc3CC)c2C)cc1 8123575 ZHVZQFIEOSTMLC-UDWIEESQSA-N 369.494 3.818 30 40 FHEB Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CCS1 219305749 UMCUKUMRTJJRPN-LJQANCHMSA-N 372.515 3.736 30 40 FHEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)c1 9011871 JFTOEZDSPAASID-MRXNPFEDSA-N 370.478 3.667 30 40 FHEB CC1(C)CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1 4028600 FNZNQMPYMHYTSI-MEILYROSSA-N 361.526 3.635 30 40 FHEB biogenic C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 32843112 HULGDGJSLQOIQH-OAHLLOKOSA-N 362.882 3.701 30 40 FHEB C#CCN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)[C@H]1CCc2ccccc21 52845825 ACNUNXDGGOLADL-SFHVURJKSA-N 369.424 3.792 30 40 FHEB COc1ccc(OCc2nnc(S[C@@H](C)C#N)n2-c2ccccc2)cc1 3354673 HIQMVESLIROEFW-AWEZNQCLSA-N 366.446 3.859 30 40 FHEB CSc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)s1 3527895 ZXNUGDJRHVCJTR-UHFFFAOYSA-N 362.461 3.609 30 40 FHEB C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 3667659 FVSGCDLSLQOCNH-VBKFSLOCSA-N 374.893 3.742 30 40 FHEB CCOc1ccc(/C=N/OCC(=O)Nc2c(C)cccc2CC)cc1OC 5397775 YKRPFYIHWILUCK-LPYMAVHISA-N 370.449 3.954 30 40 FHEB N#Cc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 6610121 DHTLRNPCZBFUME-KRWDZBQOSA-N 362.458 3.944 30 40 FHEB Cc1c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)oc2c(Cl)cccc12 7737201 PUNMMMNXFRLXFT-GOSISDBHSA-N 362.813 3.606 30 40 FHEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(C(N)=O)cc2)n1 16564966 SVTXPASZTVUONB-UHFFFAOYSA-N 351.353 3.672 30 40 FHEB Clc1ccc(/C=N\N2CCN(/N=C\c3ccc(Cl)cc3)CC2)cc1 31670193 NHCAXMHWFOFFLT-JZTLMNBPSA-N 361.276 3.979 30 40 FHEB N#Cc1ccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1Cl 40103382 NSMRAYMDXPOKJL-HNNXBMFYSA-N 350.205 3.720 30 40 FHEB C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc12 225676506 ZZKHBMNTEVZLQC-UHFFFAOYSA-N 354.318 3.754 30 40 FHEB CCCCCCNC(=O)C[C@@H]1S/C(=N/CCCC)N(CCCC)C1=O 16637926 IWKGBPOVTWUSPL-YGCDDZCOSA-N 369.575 3.973 30 40 FHEB Cc1cccc(Nc2nc3nonc3nc2N/N=C\c2cccs2)c1C 19117062 PZEWHEQESHEFKQ-NVMNQCDNSA-N 365.422 3.881 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)ccc21 100875390 XBBYWVYMDYPTNW-SDXDJHTJSA-N 350.827 3.931 30 40 FHEB C#Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 12526051 QGXRVMCAAASHBN-UHFFFAOYSA-N 372.190 3.509 30 40 FHEB COc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 2431752 ZHXAAIPSGHPYMM-UHFFFAOYSA-N 360.417 3.548 30 40 FHEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 4474746 GSIFJTOVMZJUKV-UNEBPCJRSA-N 367.474 3.975 30 40 FHEB N#Cc1cccnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 7051494 GIFGPEBTXRYJDK-UHFFFAOYSA-N 351.475 3.527 30 40 FHEB CC(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@@]1(C)O 66091574 KKHGJDYWHZQWDQ-DXBBTUNJSA-N 358.441 3.947 30 40 FHEB Cc1nn(-c2ccccc2)c(C)c1C/C(O)=N/c1nc(CC(C)C)n[nH]1 95472355 HQYAHMILALVSPR-UHFFFAOYSA-N 352.442 3.636 30 40 FHEB CC(C)c1n[nH]c(/N=C(\O)Cn2ccc3c(Br)cccc32)n1 95474395 WIRTZYWJWRZBFA-UHFFFAOYSA-N 362.231 3.934 30 40 FHEB C/C(=N\OC(=O)COc1cccc(Br)c1)c1cccs1 12362693 YKUWUHPVSBZERP-MHWRWJLKSA-N 354.225 3.857 30 40 FHEB CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C 218087047 HIGJBIVBPHAUNA-UHFFFAOYSA-N 359.238 3.505 30 40 FHEB CCN(CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccsc1 40091459 ZDTPSIOPEKKLDM-SFHVURJKSA-N 356.495 3.502 30 40 FHEB N#C[C@H](C(=O)NCCc1ccccc1)C(=O)c1cc2cc(Cl)ccc2o1 103504315 KVRJNESYJASARH-INIZCTEOSA-N 366.804 3.768 30 40 FHEB N#Cc1cccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCCCC2)c1 57710782 NJYABXBEJLYPNY-NRFANRHFSA-N 372.476 3.558 30 40 FHEB C=CCOc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20456413 PSZSKEFQMWWBGO-UHFFFAOYSA-N 350.418 3.626 30 40 FHEB COc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)O 409011839 IUDYLBKXIHYYHA-ZTPSMGMTSA-N 358.350 3.514 30 40 FHEB Cc1nsc(N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1C#N 553103599 RBDUGFVBWVUBTM-LLVKDONJSA-N 368.384 3.913 30 40 FHEB Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 408906022 AFPQTWRYXUWUER-LENJVWSZSA-N 369.402 3.843 30 40 FHEB COc1ccc2c(c1)C1(CC1)CN(/C(O)=N/[C@H]1CCOc3ccccc31)C2 329503134 ANHSUPARXKEVOF-IBGZPJMESA-N 364.445 3.980 30 40 FHEB Cc1cc2c(cc1C)O[C@H](C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)C2 611247210 HIGCRYPKMAIIKN-QFIPXVFZSA-N 358.441 3.795 30 40 FHEB CSc1nc(N)nc(SCc2cccc(C(F)(F)F)c2)c1C#N 5721328 VDOMWIHVXXECLH-UHFFFAOYSA-N 356.398 3.963 30 40 FHEB COc1cc(/C=N/Nc2nnnn2-c2cccc3ccccc23)ccc1C 4380220 KSXSYGJJXXCDCR-FYJGNVAPSA-N 358.405 3.579 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 101247405 XKKYMAJJHDZDJO-GROYHEBESA-N 353.805 3.948 30 40 FHEB CCCCN(CCCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 3619057 MYCJHYBHXQAKBJ-UHFFFAOYSA-N 357.907 3.814 30 40 FHEB COC(=O)/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 5243213 BWMVTZCRZJUGCI-ZZCYQEOYSA-N 352.415 3.507 30 40 FHEB CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC)ccc3C2=O)cc1 6555752 ORARZNXRUJAGFV-LPXFMOJISA-N 352.386 3.806 30 40 FHEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 7217453 DSTARGFSNGUFCI-INIZCTEOSA-N 369.471 3.694 30 40 FHEB CCOc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 13778969 SAUHZRZLJBCVGA-UHFFFAOYSA-N 361.465 3.979 30 40 FHEB C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22417190 IJBJGMNCPYTYCW-JOCHJYFZSA-N 371.396 3.785 30 40 FHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C)cc1 102530993 LOZZUJQLNPUBCN-HVESIFNPSA-N 371.458 3.515 30 40 FHEB CC(C)(C)c1ccc(OCC2CCN(Cc3ccc(C#N)cc3)CC2)nn1 1775966213 YMTRYDDHMNKUGB-UHFFFAOYSA-N 364.493 3.937 30 40 FHEB N#Cc1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 2621801 KICXEOQUSIVBOE-UHFFFAOYSA-N 367.408 3.554 30 40 FHEB N#Cc1cccnc1NCC1(c2cccc(Br)c2)CCOCC1 52487302 SFQDUVNDDNBIDD-UHFFFAOYSA-N 372.266 3.876 30 40 FHEB COc1ccc(OC)c(/C=N/n2cnnc2SCc2ccc(C)cc2)c1 940377 GBMAPFACYZCMAD-SRZZPIQSSA-N 368.462 3.778 30 40 FHEB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1 3219563 WFRUVPSLHRYWNJ-UHFFFAOYSA-N 360.822 3.729 30 40 FHEB CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CCC#N)c1=S 14231787 HRZZRVZESIKARQ-UHFFFAOYSA-N 374.901 3.841 30 40 FHEB O=C(O/N=C/c1ccc(Br)cc1)c1ccc(Br)o1 4616395 NCUHSKVFXYYPIG-VIZOYTHASA-N 373.000 3.996 30 40 FHEB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 66336788 DDMITVAQPIYTRU-HUUCEWRRSA-N 370.453 3.595 30 40 FHEB C=CCn1c(C)cc(C(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)c1C 6831506 BATXVBSTGVCPSP-UHFFFAOYSA-N 365.433 3.603 30 40 FHEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C1CC1 95953385 BFHCDMXUDIPEFO-GFCCVEGCSA-N 373.507 3.738 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 31083139 BQDQYHZEAFKLGS-UHFFFAOYSA-N 353.443 3.565 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 32765256 WIBNLXWEQWEYNG-UHFFFAOYSA-N 358.401 3.639 30 40 FHEB CC(C)(C)[C@H]1CCc2nc(SCC(N)=O)c(C#N)c(C(F)(F)F)c2C1 9423407 AKJIWBFPXHOQSG-VIFPVBQESA-N 371.428 3.700 30 40 FHEB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@@]213 4280506 RTQHUAHEQACVGY-HQZKGGBDSA-N 370.445 3.520 30 40 FHEB N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc12 2786593 UHKSWQXBJNGPGE-UHFFFAOYSA-N 354.238 3.888 30 40 FHEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc2ccccc2c1 12403880 KYFKHSNYAKYMIO-QOCHGBHMSA-N 373.372 3.939 30 40 FHEB CCN(CC)c1ccc(/C=N/N=c2/sc3ccccc3n2C)c(O)c1 3244722 UKZRFSFKQNOJAV-BSSBVLFISA-N 354.479 3.726 30 40 FHEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCC)CCC 2357517 VOELVNPPNDZIIU-HNNXBMFYSA-N 352.438 3.593 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CCc4ccccn4)[C@H]3C[C@H]12 3999762 SFTDMSJFDWODLH-XARADAHVSA-N 368.521 3.870 30 40 FHEB biogenic C#CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 4690376 DABFZTFWRZGFBL-PTNGSMBKSA-N 354.203 3.954 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2cc3cccc(C)c3nc2Cl)cc1 5533494 VHKHUANCJVFAHO-RGVLZGJSSA-N 373.865 3.817 30 40 FHEB CSc1nc(NCCCN(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 19820598 JLBVRFFFKVEBOI-UHFFFAOYSA-N 361.902 3.754 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(C)(=O)=O 409411495 HSPVVQFPZNWPMA-UHFFFAOYSA-N 372.490 3.816 30 40 FHEB Cc1nc(C)c(C)c(OCC2CCN(Cc3ccc(C#N)cc3)CC2)n1 1888879400 LHRXHCAHYNPCCQ-UHFFFAOYSA-N 350.466 3.565 30 40 FHEB COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCCC2 879522 BRNKCSCEDGZKDG-UHFFFAOYSA-N 367.474 3.962 30 40 FHEB C#CC1(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)CCCCC1 12419842 LIBKMQZWUQLYEQ-JOCHJYFZSA-N 355.522 3.655 30 40 FHEB CC(=O)n1cc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc23)c2ccccc21 1743618 DNICPMNSMMDTEO-MRXNPFEDSA-N 357.365 3.940 30 40 FHEB CCC/C(Nc1ccc(OC)cc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100162991 DOVKOPOVJWJYHP-RZPKCTKSSA-N 373.449 3.519 30 40 FHEB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SCC#N)c1 24397457 NRZRQGDJWHXDQY-ZDUSSCGKSA-N 356.447 3.810 30 40 FHEB COc1cccc(/C=N\c2ccc(I)cc2)c1O 100531422 BTSADZVEHYYJKP-SXGWCWSVSA-N 353.159 3.756 30 40 FHEB C/C(=N\Cc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O 13739318 VIZOFWYXVYFNTB-YBFXNURJSA-N 352.419 3.686 30 40 FHEB COc1ccc(/C=N/n2c(-c3ccc(N(C)C)cc3)n[nH]c2=S)cc1 5810172 AMFIRRAFPHBYSM-XDHOZWIPSA-N 353.451 3.564 30 40 FHEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc2ccccc2s1 7689696 JDCHUUPMBRTOBH-CYBMUJFWSA-N 350.447 3.627 30 40 FHEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1 9513846 BGDYMKDNNGLDQF-ZDUSSCGKSA-N 357.479 3.941 30 40 FHEB COc1ccc(C)cc1N/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 409057188 JULOWKLYLVAKPJ-CMDGGOBGSA-N 357.406 3.838 30 40 FHEB Cc1cc(N/N=C\c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 31769273 QYEAOTBJSLVJOE-OCKHKDLRSA-N 350.334 3.626 30 40 FHEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccncc1 6312762 RMUGXMIDFGUZJN-PGEGIIPBSA-N 373.279 3.787 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1 6260172 YWFYSHLBTDNPDV-UHFFFAOYSA-N 365.614 3.992 30 40 FHEB CN1/C(=C\C(=O)COc2cc(F)ccc2[N+](=O)[O-])C(C)(C)c2ccccc21 102957848 HDHYGGXQTGIXAM-ODLFYWEKSA-N 370.380 3.993 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3)cc21 8959614 HZCQMAQMRRCIHS-UHFFFAOYSA-N 350.418 3.877 30 40 FHEB N#C[C@@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccccc1 12322143 GEIRPHIWQKUAFL-UONOGXRCSA-N 354.456 3.916 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O 103139432 JQNXNXZBSJUPKS-HRAATJIYSA-N 373.497 3.535 30 40 FHEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NC[C@@H]1CCCO1 39404125 OGMQYHLJKTUTPD-HNNXBMFYSA-N 365.389 3.976 30 40 FHEB C=CCNC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 4657260 PUTQPPJKWRESOJ-UHFFFAOYSA-N 357.357 3.540 30 40 FHEB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 4702442 AKHMNMOMPXRKMO-AWEZNQCLSA-N 353.809 3.512 30 40 FHEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)OCC#Cc1ccccc1 95373433 QSMFRJKGOQNYAI-CMDGGOBGSA-N 354.789 3.719 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)c(C)c1 409108558 VFUKSCRMUFYRCR-HYARGMPZSA-N 352.434 3.677 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2\C[C@@]34CCCC[C@@]35C[C@@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 43761727 HNFGDJSRIPJISB-AIEVCSIASA-N 372.381 3.783 30 40 FHEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@H](C)C1 225855517 OFEBCWNMHLQMDV-XOBRGWDASA-N 358.438 3.798 30 40 FHEB Clc1ccccc1/C=N/N1CCN(/N=C/c2ccccc2Cl)CC1 1700747 CGFZMCHSQQTWHJ-JFMUQQRKSA-N 361.276 3.979 30 40 FHEB C=C(COC(=O)C(C)C)[C@H]1Oc2cc(C(C)=O)ccc2[C@H]1OC(=O)C(C)C 31165979 CPDCJXCECPCPNL-RTBURBONSA-N 374.433 3.646 30 40 FHEB biogenic,in-vitro CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)cc1)C2=O 20624349 HJASBTALPVQHNR-UNOMPAQXSA-N 353.418 3.859 30 40 FHEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 1004070 CVJKEECTOVFLSD-UHFFFAOYSA-N 370.474 3.610 30 40 FHEB CC(C)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3246760 FNZPKCGNQCITCW-UHFFFAOYSA-N 350.418 3.914 30 40 FHEB CCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608340 ATORFYNNJGJSNH-PIGZYNQJSA-N 370.478 3.667 30 40 FHEB O=S1(=O)CC[C@H](/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1 27061951 KFCHPTFKGBJMIL-WBFHQNOSSA-N 358.246 3.859 30 40 FHEB C=CCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 2112092 FSNKQZMBDMMRJH-ZVQQDINOSA-N 360.457 3.889 30 40 FHEB biogenic CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc([N+](=O)[O-])cc1Cl 408927568 QKHOFTSHWNDBKU-CYVLTUHYSA-N 362.769 3.872 30 40 FHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1cccs1 225127193 BKZKYCWTXVQFPU-UHFFFAOYSA-N 358.282 3.892 30 40 FHEB Cc1ccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)cc1 225839655 KWOVCIDBIGHUBK-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB C[C@H](CN=c1[nH]c2c(c(C#N)c1C#N)CCCCCC2)c1nccs1 619490024 JXNPEYNOFWBFGJ-CYBMUJFWSA-N 351.479 3.578 30 40 FHEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=C(O)C(=O)[C@@]3(C)[C@H]1C2 514288109 ORKFUAJHKSRPFC-GZQIOJKSSA-N 360.450 3.838 30 40 FHEB biogenic,in-vitro C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)on2)nc1C 11917133 DHWNCTLRCIQAGL-UHFFFAOYSA-N 369.402 3.702 30 40 FHEB CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC 20195812 FYDOLUQBEFYHOQ-HYARGMPZSA-N 358.438 3.625 30 40 FHEB Cc1c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 12545066 WNLVBUCBIKKTST-FMIVXFBMSA-N 373.456 3.913 30 40 FHEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1ccc(Oc2cccnc2)cc1 58308009 UJZHADFDQVCGQU-UHFFFAOYSA-N 358.361 3.690 30 40 FHEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 5488582 QNMHMYUTZHVKGV-UHFFFAOYSA-N 351.362 3.562 30 40 FHEB C=CCNC(=O)CSc1nc2ccccc2n1-c1ccc(OCC)cc1 6649123 NEQHSFQTTBLTMR-UHFFFAOYSA-N 367.474 3.819 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2)cc1 5959521 YTLIVBOZCVXOJC-XDHOZWIPSA-N 354.435 3.897 30 40 FHEB COc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2C)ccc1OCC#N 15686330 YGJFKBFGFKVMGW-PXUDHTSWSA-N 350.418 3.797 30 40 FHEB N#Cc1ccsc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580736 APPSCSCHNHIFLE-UHFFFAOYSA-N 357.460 3.915 30 40 FHEB COC(=O)c1ccc(-c2ccc(/C=N/N=C3C(=O)Nc4ccccc43)o2)cc1 1775976392 QVKFKFXFBOYSEX-WSDLNYQXSA-N 373.368 3.509 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cc3c(cc2Br)OCO3)cc1 5569745 DXBRWHRTYXPBFE-FRKPEAEDSA-N 364.155 3.532 30 40 FHEB O=[N+]([O-])c1ccc(N2CCCC2)cc1NN=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 100281379 ZJRIQEHJHVZBHS-FEDUSRTKSA-N 370.453 3.534 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 6002165 GBHPFGIYUIIVHZ-AWEZNQCLSA-N 371.437 3.586 30 40 FHEB Cc1ccc(C(C)C)c(OCCOc2cccc(/C=N/NC(N)=S)c2)c1 4511058 JVQRYOUETLYGGA-LPYMAVHISA-N 371.506 3.743 30 40 FHEB NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccccc1 9420421 JYEQAIQRXPWNRZ-YJBOKZPZSA-N 356.834 3.916 30 40 FHEB Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1[N+](=O)[O-] 40049495 SWOWLXYYISUAQP-UHFFFAOYSA-N 357.369 3.950 30 40 FHEB COc1cc([N+](=O)[O-])cc(/C=N\Nc2nc3ccc(C)cc3s2)c1O 80340414 DPJRFZGKINPAOQ-IUXPMGMMSA-N 358.379 3.673 30 40 FHEB CC(=O)Nc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1 101500458 VTCVDSSGBMKXKC-VXPUYCOJSA-N 352.463 3.584 30 40 FHEB Clc1ccc(CN/N=C/c2cc3c(cc2Br)OCO3)cc1 10118900 SNGRGJSZRZUYMA-UFWORHAWSA-N 367.630 3.955 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@H](c2ccccc2)N2CCCC2)cc1 22801057 VOFVHVVWELQYLY-HSZRJFAPSA-N 362.521 3.963 30 40 FHEB COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 1079991 PITPOKMPKVZPRG-AZUAARDMSA-N 369.392 3.676 30 40 FHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5825969 YLJREKVMKFZOBY-NVMNQCDNSA-N 354.358 3.635 30 40 FHEB biogenic CC[C@@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409345669 MPWCHSXDQNQLOE-GFCCVEGCSA-N 371.824 3.815 30 40 FHEB O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 225669726 URYFTYXVERRCHJ-HRCADAONSA-N 355.242 3.748 30 40 FHEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2ccc(Cl)cc2)c1N 225840538 BNSQGBFGTPMVPZ-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB COc1cc(/C=C\C2=CC(=O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 224125108 IZLBLUIBVMGMIY-ORUDLHBZSA-N 368.385 3.743 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 5772301 GQXVHYXSQRJUDJ-DYTRJAOYSA-N 363.333 3.763 30 40 FHEB O=C1Nc2ccc(Br)cc2/C1=N/N=C/c1c[nH]c2ccccc12 18130629 NFUSVUYPBUVWRO-AWQFTUOYSA-N 367.206 3.706 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2CCc2ccccc2-3)cc1OC 19095811 GGTKSBGQTCSOOX-UHFFFAOYSA-N 357.413 3.985 30 40 FHEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5306496 OCYJNRBKNOXALJ-QVKFZJNVSA-N 372.428 3.702 30 40 FHEB C=CCn1cc([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 101370301 RFTOHLOWHUFXMP-INIZCTEOSA-N 360.413 3.883 30 40 FHEB N#Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c1 60135437 MISNYTVNHMNZKT-ROUUACIJSA-N 372.428 3.814 30 40 FHEB CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2618046 DCVWMSUSXZXKIR-UHFFFAOYSA-N 368.487 3.822 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 101247407 XKKYMAJJHDZDJO-HVESIFNPSA-N 353.805 3.948 30 40 FHEB COc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)cc1 12921995 PPFXOQINJWHNHN-ZDUSSCGKSA-N 364.430 3.577 30 40 FHEB Cc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2)S1 7883505 FXFHXLOPJAOYPH-HNNXBMFYSA-N 353.447 3.551 30 40 FHEB C=CC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681889 OZGWOALFBHODRB-UHFFFAOYSA-N 366.126 3.614 30 40 FHEB in-vitro CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118925184 XPJSYVSOPZVTNB-COEINWTOSA-N 360.494 3.811 30 40 FHEB N#Cc1cccnc1N1CCC(CNC(=O)c2cccc3ccccc23)CC1 70929174 XSROGSIIIMPPEH-UHFFFAOYSA-N 370.456 3.753 30 40 FHEB COc1cc(OC)c(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 44842797 XHNGVTTWZRNKOP-AATRIKPKSA-N 361.781 3.894 30 40 FHEB C=CCc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1OC 222692687 HAOPSFMXHVLJEC-CQSZACIVSA-N 353.418 3.686 30 40 FHEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)CCc1ccc(Cl)cc1 48506059 FSYHIKNEFHCJEB-UHFFFAOYSA-N 362.838 3.631 30 40 FHEB N#Cc1cnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc1N 31617064 KWDAVNUZBDPCAD-UHFFFAOYSA-N 362.414 3.698 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2c(C)cc(C)cc21 100909845 GJYNPVJIOIXLIY-VXPUYCOJSA-N 365.414 3.602 30 40 FHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)cc1 4712082 CADOOAURUAPDMR-FBHDLOMBSA-N 353.357 3.982 30 40 FHEB N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 97001672 PXIFWZRYRAXYFV-HXUWFJFHSA-N 372.428 3.732 30 40 FHEB CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 41553572 AIAFTZNKDPZVNE-CQSZACIVSA-N 373.338 3.916 30 40 FHEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 6905117 BRKXZODMBSZWLI-UHFFFAOYSA-N 353.407 3.727 30 40 FHEB Cc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)c1 7061457 LIUOYDYMJJEABB-UHFFFAOYSA-N 354.479 3.616 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C2\CCSc3c(F)cccc32)c1 96297730 FVOYEBGRPZXIEO-XDJHFCHBSA-N 364.467 3.621 30 40 FHEB C#CCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1OCC 96812641 ZKRXFPVUXAOGAW-WJDWOHSUSA-N 364.397 3.765 30 40 FHEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 408995782 DSERFTKHFHKASQ-LDADJPATSA-N 357.370 3.795 30 40 FHEB O=C1CCCN1c1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1 48314628 JBOUYVGPDZOTQS-CIAFOILYSA-N 363.446 3.778 30 40 FHEB N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)c(Br)c1 611500660 JEWKMXUHLBWIKR-UHFFFAOYSA-N 357.251 3.627 30 40 FHEB Cc1ccc(S(=O)(=O)OCCCCCCNC(=O)OC(C)(C)C)cc1 196217610 YHHYHFYVSNWGRQ-UHFFFAOYSA-N 371.499 3.785 30 40 FHEB CC1(C)OB(c2cnc(-c3ccccc3)n2[C@H]2CCCCO2)OC1(C)C 211680114 SPGBWBJDOXTDIB-QGZVFWFLSA-N 354.259 3.548 30 40 FHEB N#Cc1c(SCCC(=O)c2ccc(F)cc2)sc2c(O)cc(=O)[nH]c12 4945720 DZHMHFFZGOZTRH-UHFFFAOYSA-N 374.418 3.671 30 40 FHEB Cc1cc(Br)ccc1NCC(=O)NC1(C#N)CCCCCC1 32906660 MEDQANVDKFJXPU-UHFFFAOYSA-N 364.287 3.902 30 40 FHEB CN(C(=O)Cn1c(SC(F)F)nc2ccccc21)c1cccc(C#N)c1 58024968 ONJLFDQBLNTAIN-UHFFFAOYSA-N 372.400 3.886 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1cccc(F)c1 2463591 KZAXJGAONTXUKH-ZBFHGGJFSA-N 374.437 3.594 30 40 FHEB COc1cccc(-c2nc(C(=O)Nc3ccc(C#N)cc3)cs2)c1OC 12821692 CBDOCEQCJLXZJY-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 13306060 VVWRJYIWMFAKHR-LPYMAVHISA-N 353.447 3.878 30 40 FHEB CO/N=C/NC(=O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 5209453 SHSTWGYTKCDLNS-ZDUSSCGKSA-N 371.746 3.592 30 40 FHEB N#Cc1cccc(NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 7974271 PRAKFCAYGKGVEB-UHFFFAOYSA-N 355.397 3.840 30 40 FHEB CC[C@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 1212310 HIIJOKALACZHSK-HSZRJFAPSA-N 374.488 3.877 30 40 FHEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 15686249 AMKNKIKTAKVVBI-CAPFRKAQSA-N 370.361 3.509 30 40 FHEB N#Cc1ccc(N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)cn1 1888906860 VICSVEKXZDGPMI-ZDUSSCGKSA-N 365.437 3.995 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(C(F)(F)F)cc1 1421887 ZKIDLZUXOXQDTH-OAHLLOKOSA-N 362.355 3.955 30 40 FHEB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 40116715 NAFSPPRZRDBMFS-SFHVURJKSA-N 373.334 3.544 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1Cl 18136610 MQGVNVREWYOVQR-OAHLLOKOSA-N 373.865 3.896 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O 24506851 QCKIISBNIZHTDG-UHFFFAOYSA-N 371.314 3.593 30 40 FHEB O=C1C2=C(N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)C(=O)c2ccccc21 102945121 AZNNWZQEWUQLGD-PMACEKPBSA-N 366.420 3.953 30 40 FHEB COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O 100067274 ZIUSSTSXXLLKKK-KOBPDPAPSA-N 368.385 3.853 30 40 FHEB aggregator,biogenic,in-vitro Cc1nc(SCc2cc(=O)n3c(C)csc3n2)c(C#N)c(C)c1C 5172550 DOSMLFFARNVUBS-UHFFFAOYSA-N 356.476 3.549 30 40 FHEB C=CCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 5783898 YJSPPVLCUVPNRS-NEPJUHHUSA-N 360.508 3.594 30 40 FHEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 98054605 PQXHMXUAJJNRNM-PXLXIMEGSA-N 372.494 3.646 30 40 FHEB COC(=O)c1ccc(C)c(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1 409187311 OSVCHHMWTAARTB-WSDLNYQXSA-N 369.417 3.863 30 40 FHEB C#CCOc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409065011 KEKAZBDMWUTIMS-DJKKODMXSA-N 365.176 3.755 30 40 FHEB C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)O 6067483 PBKZPPIHUVSDNM-LHZXLZLDSA-N 358.478 3.890 30 40 FHEB biogenic N#Cc1ccc2c(Cl)c(S(=O)(=O)c3cc(F)cc(F)c3)cnc2c1 85345095 FBWXNPUWLYQWKY-UHFFFAOYSA-N 364.760 3.871 30 40 FHEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 585107462 WPLKSESSFLRFHD-QFIPXVFZSA-N 374.444 3.603 30 40 FHEB N#Cc1cccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 6400886 SQUIWFUFFZUOCU-UHFFFAOYSA-N 356.381 3.807 30 40 FHEB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)ccc1O 4771148 WCAYFKKSHNUPEM-HNQUOIGGSA-N 361.737 3.716 30 40 FHEB CC#CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(OC)c(C)c1 11716988 JBFWSJNVCXDGDR-QHCPKHFHSA-N 358.441 3.982 30 40 FHEB Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 704337 HDZAUIAXCGFVOT-UHFFFAOYSA-N 360.804 3.792 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc2c(c1)OCO2 48308619 HAVNLCXNIXFXRF-CQSZACIVSA-N 351.855 3.852 30 40 FHEB C=CCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C 4050344 HSICKIXOLVKQBG-UHFFFAOYSA-N 362.462 3.737 30 40 FHEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5254415 QLSPFUOBXVELLN-PXNMLYILSA-N 359.175 3.991 30 40 FHEB biogenic C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 32061607 GLZNVTVJLNFBBK-VIFPVBQESA-N 355.872 3.876 30 40 FHEB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(C5(C#N)CC5)cc4)cn1c23 225862165 ZWKUEAPVEXOOMI-CQSZACIVSA-N 369.424 3.926 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@@H](OC)[C@H](OC)C=C3)S2)cc1 256055482 IFLBYDHUEBHJIN-NVZRXXAXSA-N 370.474 3.510 30 40 FHEB COCc1cc(C)nc(N/N=C\c2cc(Cl)cc(Cl)c2O)c1C#N 5739643 ZREPKBHVHHWNSG-SCDVKCJHSA-N 365.220 3.867 30 40 FHEB C=C(C)Cn1nc(C)c(CN2CCC(O)(c3ccccc3C)CC2)c1C 12188742 JNVDCHPZTGATPP-UHFFFAOYSA-N 353.510 3.868 30 40 FHEB C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/N=C/N(C)C)nn12 100819116 XXJZXWHJOWHGRD-KOUDTOEKSA-N 366.469 3.783 30 40 FHEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 6576967 LUDYOKCZETWCOX-BHIFYINESA-N 367.445 3.987 30 40 FHEB CCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccccc1OC 12482984 WLCCMLUVSSFEMM-VZCXRCSSSA-N 371.462 3.756 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3233056 AKGLENGIOWHGNS-UHFFFAOYSA-N 370.415 3.807 30 40 FHEB Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1C(C)C 409405867 INCVNBSVPHNDOH-HZVDNRATSA-N 361.445 3.672 30 40 FHEB COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4699826 UQSSECDPERKUOS-BRQLWOPXSA-N 370.405 3.646 30 40 FHEB CC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccccc1[N+](=O)[O-] 16039273 JINPMVTWSZXEOM-AWEZNQCLSA-N 354.391 3.531 30 40 FHEB Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2cccs2)c1C 714041 PZEWHEQESHEFKQ-GIJQJNRQSA-N 365.422 3.881 30 40 FHEB CCCCc1ccc(NC(=S)N/N=C2/C(=O)Nc3ccccc32)cc1 4868753 RGIGBTJPIFEGBE-UHFFFAOYSA-N 352.463 3.672 30 40 FHEB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 100698964 RBLSIFNEKGLQLS-IBGZPJMESA-N 373.372 3.590 30 40 FHEB CC(C)COc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 4327439 RHWMGAPRTSSTAJ-INIZCTEOSA-N 366.465 3.721 30 40 FHEB aggregator CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2C)c(OC)c1 12374198 RFLRSVZUYRPRLI-MTJSOVHGSA-N 357.479 3.812 30 40 FHEB C=CCN1C(=O)/C(=N/N=C/c2ccc(OC(F)F)cc2)c2ccccc21 25390440 JUCCOARDBOWGTO-RANSOGHASA-N 355.344 3.644 30 40 FHEB COc1cc(Cl)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408932589 XUWAUDHBQNLMQH-FYJGNVAPSA-N 360.841 3.944 30 40 FHEB N#CCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 5216488 QJSZZFRSMQJQHO-UHFFFAOYSA-N 359.769 3.574 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2)cc1 9337407 LBFPVXXVSRCMEC-UHFFFAOYSA-N 365.414 3.855 30 40 FHEB C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H](C)CC(=O)O 67913340 XKXZAYIPFRBKHT-MOYALWNFSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224714584 UMHRAMIRIRAIJU-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)N1CCCCCC1 225859585 MQHOKQXUHQVSDW-UHFFFAOYSA-N 370.884 3.589 30 40 FHEB N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 47212126 VYYFSOGFGLNHEG-UHFFFAOYSA-N 351.387 3.546 30 40 FHEB Cc1c(C(=O)NC2(C#N)CCCC2)cnn1-c1cccc(C(F)(F)F)c1 84044964 KJVXROOPFPCKIZ-UHFFFAOYSA-N 362.355 3.766 30 40 FHEB COc1cc(Cl)c(/C=N/n2c(S)nnc2-c2ccccc2)cc1OC 409055722 APCGTYDDQCIRNK-VXLYETTFSA-N 374.853 3.787 30 40 FHEB O=[N+]([O-])c1ccc(OCc2cccc(Br)c2)c(/C=N/O)c1 216853891 CDWPIYCXJLFHGD-LZYBPNLTSA-N 351.156 3.744 30 40 FHEB Cc1cc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)ccc1C(C)C 48532609 FLZHTQYWCGAIFC-CQSZACIVSA-N 362.451 3.626 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccco1 32579512 TXWYOXYWUYQDIU-UHFFFAOYSA-N 372.425 3.902 30 40 FHEB N/C(=N/OCc1ccccc1F)c1ccc(Oc2ccc(F)cc2)nc1 60197563 DLLXKCCFBLCFJF-UHFFFAOYSA-N 355.344 3.989 30 40 FHEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO[C@H](O)[C@H](C)O 101657396 GNLNRQZETOCIRZ-HJCKMWEQSA-N 373.578 3.648 30 40 FHEB CCCCCCN1C(=O)[C@H](CC(=O)NCC)S/C1=N/c1ccccc1 107037633 ZZNZFNLIHOMQRB-YGCDDZCOSA-N 361.511 3.725 30 40 FHEB CCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C 100558983 ONGMZGLWWHMFAV-UHFFFAOYSA-N 366.531 3.676 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 47642555 SDCCTDRINQFXQD-LIRRHRJNSA-N 368.481 3.721 30 40 FHEB N#Cc1cccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)c1 22959499 SOUDLKLEWXRFGH-UHFFFAOYSA-N 364.451 3.820 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(Cl)c21 100910030 NSKCFACEFBJPPR-UZYVYHOESA-N 351.818 3.602 30 40 FHEB CC(C)(C)Nc1nnc(SCC(=O)NC2(C#N)CCCCCC2)s1 25062573 UMJPSJVYPDKISU-UHFFFAOYSA-N 367.544 3.573 30 40 FHEB COc1cccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(C)C 14181358 UYBXXLWBNIKWPA-CSKARUKUSA-N 352.390 3.548 30 40 FHEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4996903 CWVZZFVRAHJWKE-BSBNDGSWSA-N 353.447 3.667 30 40 FHEB N#CCc1ccc(OC[C@@H](O)CSc2ccc3ccccc3n2)cc1 7032040 KDEQCURIDGIGAP-QGZVFWFLSA-N 350.443 3.833 30 40 FHEB COc1ccc(-c2nnc(/N=C(\O)c3ccc(C)c(F)c3)[nH]2)cc1OC 9414719 VIZRWSRELHLUOZ-UHFFFAOYSA-N 356.357 3.573 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9882531 TVRGGLQZAPXCHT-UHFFFAOYSA-N 350.374 3.617 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346835 DPXLGUCLFBYOGB-FQEVSTJZSA-N 350.462 3.715 30 40 FHEB Cc1cc(C)c(C#N)c(N2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)n1 13483367 PYTNRBTXYHLVRQ-HTZLVSCSSA-N 351.425 3.728 30 40 FHEB CSc1nn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c(N)c1C#N 19910315 DMGFXJSQEFLPPV-UHFFFAOYSA-N 366.450 3.556 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccsc1)c1ccccc1F 46089286 ANJUOSNLXDQQOV-KRWDZBQOSA-N 357.454 3.971 30 40 FHEB COC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1 70036556 YDWQCTOUTPPFOI-FCDQGJHFSA-N 363.417 3.577 30 40 FHEB C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2ccccc2c1=O 8744748 XKISVUPVFBUQJQ-QGZVFWFLSA-N 366.442 3.589 30 40 FHEB N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 100467266 QBGMRRUHCFHZLC-DFBXPRTLSA-N 354.409 3.563 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@@H](c2ccccc2)N1Cc1ccco1 103432339 MJBOQXPRAXCXOI-LJQANCHMSA-N 370.412 3.609 30 40 FHEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118917738 SUFJHQFIKDZJAJ-LTWVHMPHSA-N 372.505 3.979 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCCCOc2ccc(Cl)cc2)cc1 25396355 ORKKXYHFTLWPKD-UHFFFAOYSA-N 372.808 3.818 30 40 FHEB C=CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccccc1 3563092 CPQBKRFWXKHQKX-UHFFFAOYSA-N 370.503 3.601 30 40 FHEB O=C1/C(=C/c2cc(Br)cc([N+](=O)[O-])c2O)Cc2ccccc21 409373492 WQTIWTZHFWMWHL-UXBLZVDNSA-N 360.163 3.885 30 40 FHEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(F)cc1 409134108 OXQCLQRSUUAYKC-ZROIWOOFSA-N 360.797 3.879 30 40 FHEB COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)O 409220564 BNZOPUGZWOFGBI-KKBVUKDESA-N 363.797 3.960 30 40 FHEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 40139575 ZTULFTYCOUCSQD-AATRIKPKSA-N 350.399 3.872 30 40 FHEB CCn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cn1 225393894 QTVXYJIPNPOBST-HWKANZROSA-N 373.206 3.668 30 40 FHEB C/C(=N\OCC(=O)Nc1ccc(Br)cc1)c1cccs1 13305920 JGVRJLLEWGOITA-LICLKQGHSA-N 353.241 3.890 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\CC/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 17328056 QSPHYLMQHVNGHM-WHYMJUELSA-N 356.342 3.779 30 40 FHEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1C 6959470 WMEWSIORQVANTG-JMIUGGIZSA-N 362.813 3.873 30 40 FHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccccc1 102578158 SOTVCXIYJWBPPE-LFVOPCPISA-N 365.429 3.917 30 40 FHEB COC(=O)c1ccc(/N=C(/SCC(=O)c2ccc(F)cc2)N(C)C)cc1 102608180 NNQZTXRHSKIFKP-XUTLUUPISA-N 374.437 3.778 30 40 FHEB C=CCNc1nnc(SCC(=O)Nc2ccc(SC)cc2)s1 10213541 WOKUTKGOMZAKGZ-UHFFFAOYSA-N 352.510 3.589 30 40 FHEB CC(C)N1/C(=C\c2cccc3[nH]ccc23)C(=O)c2ccccc2S1(=O)=O 9547592 VTGRPXONZJOOSH-PDGQHHTCSA-N 366.442 3.804 30 40 FHEB C=C[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl 95965020 NRBMRYAZNDYXLT-LIRRHRJNSA-N 368.864 3.598 30 40 FHEB CCOC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218471785 YRKGDMLBZLAJFA-AABGKKOBSA-N 373.449 3.620 30 40 FHEB C=CCc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1OC 225042607 HZEYXJHMKKWRPV-UHFFFAOYSA-N 354.431 3.589 30 40 FHEB C=CCOc1c(I)cc(C(C)(C)C)cc1C(=O)O 225284095 MYQGEHLPUAMDIX-UHFFFAOYSA-N 360.191 3.852 30 40 FHEB COc1ccc(Br)c(/C=N/c2ccc(NC(C)=O)cc2)c1O 3141677 ZCZLLOCPJFUTLC-GIJQJNRQSA-N 363.211 3.872 30 40 FHEB CC1(C)CC(=O)C(I)=C(Nc2ccccc2O)C1 5190328 XYKWIYFFCDABER-UHFFFAOYSA-N 357.191 3.840 30 40 FHEB Cc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165037 QCWAXUZXDUVBQP-PSLIRLAXSA-N 362.355 3.873 30 40 FHEB N#Cc1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCC2 669020 JJXJPDWSXSXAFJ-UHFFFAOYSA-N 350.399 3.857 30 40 FHEB Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1sccc1C#N 12533661 QHSSNCABTLEOTJ-LBPRGKRZSA-N 369.475 3.628 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 105410557 WCNOMTXXYDUQJZ-HOKRVXKHSA-N 374.440 3.770 30 40 FHEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 107949204 YJBDAVYXHDITOW-BQYQJAHWSA-N 360.207 3.664 30 40 FHEB COCc1cc(C)nc(N/N=C/c2ccccc2OCC(C)C)c1C#N 408605129 WZFHUNPYEOCXCE-SSDVNMTOSA-N 352.438 3.889 30 40 FHEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 4681666 NQFHGJRZBCMHGD-ZJYNUGOYSA-N 373.865 3.930 30 40 FHEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N/c1ccc(OC)cc1 409232332 QCEDEFYGXKXFSC-HXGVTVJWSA-N 373.390 3.820 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)s1 9319312 LXBMRTGYOITAIC-UHFFFAOYSA-N 373.459 3.792 30 40 FHEB N#CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408750074 KGMURFUGWWCXIP-RYUDHWBXSA-N 357.460 3.592 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(C(=O)O)c1 409099656 RRNZUIQNYSFSMN-FYJGNVAPSA-N 354.406 3.753 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C2(C#N)C#N)cc1 218339778 WEPIZKFGYOWMFQ-SJORKVTESA-N 356.834 3.622 30 40 FHEB C=CCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 219638581 UGKMFNHYDDPWGI-UHFFFAOYSA-N 355.434 3.977 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccs1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959988 UTHOHMZTNPNWBA-APPDUMDISA-N 352.419 3.657 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 3088814 AMTVVNONABPDKN-OAHLLOKOSA-N 361.825 3.583 30 40 FHEB C=CCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1 6856485 DDEGNBBAMWMFQK-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB N#Cc1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 106591823 OZEXANPOQGIHEV-UHFFFAOYSA-N 367.206 3.759 30 40 FHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 4682459 XKFTWNNKGVYMHA-XYGVBGMQSA-N 374.368 3.789 30 40 FHEB CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H]2C#N 91302779 SVOMVZGTLQYATD-GOSISDBHSA-N 355.482 3.659 30 40 FHEB in-vitro COc1ccc(CCn2c(N)c(C#N)c3c(c2=S)CCCC3)cc1OC 9305376 IOZZTPKRVJQXIP-UHFFFAOYSA-N 369.490 3.810 30 40 FHEB CCCCCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870760 MEAUSHVCOBGAIQ-UHFFFAOYSA-N 355.461 3.598 30 40 FHEB C[C@H]1C[C@H]1CN(CCCCN(C)c1ccncc1C#N)c1ccncc1C#N 599154682 JOSPNPWXLCRMLQ-ROUUACIJSA-N 374.492 3.599 30 40 FHEB C=CCN(C(=O)CCc1cnn(C)c1)c1nc(-c2ccccc2)cs1 54915886 CTSFCQZCEMFBRU-UHFFFAOYSA-N 352.463 3.695 30 40 FHEB C[C@H]1Cc2cc([C@@H](O)CN3CCC(C#N)(c4ccccc4)CC3)ccc2O1 13999866 YZOLXXUFBBCWAZ-UWJYYQICSA-N 362.473 3.601 30 40 FHEB NC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 4292617 RFQVEEVSSMKERF-YDZHTSKRSA-N 364.352 3.617 30 40 FHEB O=C1C(=CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)c2ccccc21 100937994 QPQYXOBSDUHGGD-UHFFFAOYSA-N 362.263 3.989 30 40 FHEB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C#N 32774259 BJIIJRFTIUPUGQ-NZWMYCLXSA-N 358.463 3.706 30 40 FHEB COc1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F 32745031 JIYWCYXVPZMWQF-GFCCVEGCSA-N 367.380 3.889 30 40 FHEB COc1ccc2c(c1)CC/C(=C\c1ccc(N(C)C)c([N+](=O)[O-])c1)C2=O 96792323 GRRDOUSCHPVEOX-XNTDXEJSSA-N 352.390 3.882 30 40 FHEB N#Cc1c(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cn2ccccc12 102725285 BQJCQFKYHSXOBC-KILAXVPQSA-N 364.445 3.576 30 40 FHEB Clc1ccccc1CN/N=C/c1ccc(I)o1 8811419 KKOHOLNWNVVLNF-LZYBPNLTSA-N 360.582 3.661 30 40 FHEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1ccsc1 59514391 SBVZHSQACNAVIY-XDHOZWIPSA-N 365.466 3.723 30 40 FHEB O/C(Cc1ccc(OC(F)(F)F)cc1)=N\c1nc(-c2ccccn2)n[nH]1 53527792 UGYZSHWBFLULGK-UHFFFAOYSA-N 363.299 3.596 30 40 FHEB CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(C)O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 118922964 FSKYYHQTBLJUML-XZNYGTFNSA-N 360.494 3.811 30 40 FHEB CCOc1cccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c1O 408963195 XTWGGNXWGBSDHQ-LFIBNONCSA-N 370.430 3.691 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 12851215 UZXLPWFYGSWEAW-UHFFFAOYSA-N 357.266 3.810 30 40 FHEB CCCC(=O)OCCNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 5607437 CGZMHJIBJAIBMY-UHFFFAOYSA-N 370.478 3.801 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2)cc1 5959529 VWSJYOXIQULLOB-XDHOZWIPSA-N 354.435 3.897 30 40 FHEB CCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 408706823 FHEUQIMBSBIZGK-UHFFFAOYSA-N 355.276 3.864 30 40 FHEB Cc1cc2nc(NCCNc3cccc(F)c3C#N)c3ccccc3n2n1 58406717 RFMAJEKDVSPKMN-UHFFFAOYSA-N 360.396 3.726 30 40 FHEB C=CCSc1ccccc1NC(=O)CN1C(=O)CCOc2ccccc21 32744673 TYPWPFFQPUZPJS-UHFFFAOYSA-N 368.458 3.719 30 40 FHEB C[C@H](C#N)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 32945149 GBZKRLKGKTTYJZ-GFCCVEGCSA-N 351.391 3.847 30 40 FHEB C=CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccncc1 6105725 KYHQXNTUOYKDJC-UHFFFAOYSA-N 362.462 3.775 30 40 FHEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C)nn32)cc1 4520762 KUKLKNUDPZMSNB-SFHVURJKSA-N 352.438 3.643 30 40 FHEB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1(C#N)CCCCC1 7108951 YCIBUFGIEBPWKN-LLVKDONJSA-N 369.248 3.881 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2C#N)C1 7989209 LRLCUUDESWFWKD-MEDUHNTESA-N 366.442 3.985 30 40 FHEB N#Cc1c(Cl)nsc1NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 68999838 CRFCCDQOMPWFNB-SECBINFHSA-N 354.813 3.885 30 40 FHEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)ccc1OC 408705927 QLZLCZDBDNADOS-UHFFFAOYSA-N 352.434 3.814 30 40 FHEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957621 PIYKQGBABOIGHF-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224706816 RDAMBKINOZDXDS-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB N#Cc1nc(Cc2ccsc2)oc1N1CCN(c2ccc(F)cc2)CC1 1775975864 HDLQJJABWWWCMV-UHFFFAOYSA-N 368.437 3.664 30 40 FHEB N#CCSc1nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2n1 13637454 AJZQTQVNXPMPDX-UHFFFAOYSA-N 359.414 3.780 30 40 FHEB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 12976610 LNAQTLDBZZJBTB-FOIQADDNSA-N 350.418 3.698 30 40 FHEB N#Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 13005525 NAEGOULPJRXCFK-UHFFFAOYSA-N 353.378 3.985 30 40 FHEB C#CCN(Cc1ccc(C)cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C 64756112 KISWEHNFPQIRMX-IBGZPJMESA-N 355.507 3.504 30 40 FHEB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c(C#N)c(C)c1C 5172612 PBCMCZXPCNEDDB-LBPRGKRZSA-N 351.475 3.948 30 40 FHEB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C#N)n(C)c2C)cc1 7087941 BHOLNIVCKUQCAY-OAQYLSRUSA-N 372.428 3.985 30 40 FHEB N#Cc1cccc(/C=C/C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 89774445 INTVQMOMVORPPX-QPJJXVBHSA-N 368.383 3.672 30 40 FHEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)c1 223754011 VCQPPMJSSPMKNN-PYCFMQQDSA-N 355.438 3.721 30 40 FHEB C=CCSc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 222545404 YHVKYKDEPCSYKG-UHFFFAOYSA-N 363.489 3.770 30 40 FHEB COc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1O 1531383070 WLTCSKIELHMIRZ-OEAKJJBVSA-N 371.396 3.660 30 40 FHEB COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)ccc1O 20519486 KPPSNMIPNVQDRP-UHFFFAOYSA-N 371.400 3.564 30 40 FHEB CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(Cl)cc1 7553987 ZWTORHRKAVAARI-MRXNPFEDSA-N 360.841 3.998 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1 3898470 STZMEAFXWDJBIT-AWQFTUOYSA-N 353.407 3.924 30 40 FHEB Cc1ccc(F)c(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)c1 63311581 APOAVIHQDWVJEO-UHFFFAOYSA-N 357.410 3.634 30 40 FHEB C=CCc1c(O)nc(SCc2ccccc2)n(-c2ccccc2)c1=O 13957255 MZNMIVDMUAEBSJ-UHFFFAOYSA-N 350.443 3.959 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C1=C(CCCC1=O)N2 4436155 IXOZWQFQYRPIAZ-KRWDZBQOSA-N 354.479 3.975 30 40 FHEB N#CCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 14236319 SRXDVKOLFNXUFA-UHFFFAOYSA-N 360.392 3.818 30 40 FHEB Cc1nn(C)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 5693103 RKQXQQOGLPMJCZ-LJQANCHMSA-N 364.493 3.995 30 40 FHEB C=CCNc1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)s1 5784145 CJZRAAUUYSGZKX-GFCCVEGCSA-N 352.529 3.623 30 40 FHEB CCCCCCNC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 5826015 KJENZKOMJGIPLH-CQSZACIVSA-N 367.902 3.646 30 40 FHEB C#CCOc1ccc(Br)cc1/C=N/NCc1ccccc1OC 20761261 XNSOQNSPGHZLNQ-FYJGNVAPSA-N 373.250 3.593 30 40 FHEB CCc1nc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)sc1C 174343855 ROEOBSWNOMKXMP-UHFFFAOYSA-N 370.478 3.961 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCC)C(O)=NC1=S 33345685 NDBSGLLGTLURPX-SSZFMOIBSA-N 369.490 3.502 30 40 FHEB N#Cc1ccc(OCc2ccc(F)cc2)c(I)c1 216812281 VHISNTBWHSGUHH-UHFFFAOYSA-N 353.134 3.881 30 40 FHEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936306 RCEOHECAWVQUTD-UHFFFAOYSA-N 355.246 3.885 30 40 FHEB O/C(=N/Cc1c(F)cccc1OC(F)F)N1CCOC[C@H](C2CCC2)C1 330197684 SDSCHYWVTRUIDV-CYBMUJFWSA-N 372.387 3.590 30 40 FHEB N#CCCn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O 6589133 SHABGJXPYWEPEM-UHFFFAOYSA-N 360.236 3.801 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 9332301 CVCOYXOHPRKTMB-YWZLYKJASA-N 360.392 3.833 30 40 FHEB O=C1C(=CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(=O)c2ccccc21 100943207 JFHYONHBKZOKML-UHFFFAOYSA-N 362.263 3.989 30 40 FHEB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@]1(c1ccccc1)[N+](=O)[O-] 2159170 HFYDFNXJRQJRDP-OAQYLSRUSA-N 358.353 3.720 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2cccs2)no1 102545365 FSUYXQBFOAAXAY-DPEHCCBOSA-N 370.386 3.572 30 40 FHEB C=CCn1c(C)cc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1C 6110978 VPWYBMHTRMZGBS-UHFFFAOYSA-N 355.463 3.562 30 40 FHEB Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 22288802 JUUNJEFVFFDRPI-UHFFFAOYSA-N 367.493 3.702 30 40 FHEB C/N=c1/scc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 103458907 SKXPKHOAVYSJAW-CJAWYPNTSA-N 373.865 3.997 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@]132 106899626 AWARIKSVYAKVLG-KVWWIYBASA-N 361.526 3.634 30 40 FHEB biogenic C=CCSc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 21524185 JDZOEZXFHYFKMD-UHFFFAOYSA-N 350.450 3.785 30 40 FHEB CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)s1 5450477 NRSQIYGQLBRJJB-VIFPVBQESA-N 350.494 3.641 30 40 FHEB Cc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 18090181 ITKZKPWOBLYASJ-OAHLLOKOSA-N 372.218 3.623 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1 35289027 UQPPGCVCNQOEIN-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB O/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1 216810963 MZTKRYKHAFJICH-IUXPMGMMSA-N 371.149 3.817 30 40 FHEB COC(C[C@@](C)(O)C#CC[C@@](C)(O)/C=C\C1=C(C)CCCC1(C)C)OC 17149514 IJDJVBPHFBCKAX-SLVNQOHDSA-N 364.526 3.974 30 40 FHEB O=c1cc(/C(O)=N/c2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2[nH]1 32962500 RYVXZINEXJICNH-UHFFFAOYSA-N 366.358 3.682 30 40 FHEB N#Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 4895541 GJETXEPFWALXQP-UHFFFAOYSA-N 350.378 3.709 30 40 FHEB COc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 100349910 RMGFAFPVCXUZJW-XKZIYDEJSA-N 364.401 3.734 30 40 FHEB C[C@H]1Cc2ccccc2N1C(=O)CO/N=C/c1ccccc1OC(F)F 3320748 XYIOTEPWSBHXNQ-YSRRJJCPSA-N 360.360 3.616 30 40 FHEB N#Cc1cccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c1 12928929 CPOUUJMKHNGWIM-DHDCSXOGSA-N 353.175 3.665 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/COc3c(C)cc(C)cc3C2=O)cs1 63412033 JNLDRPYPWIQGLU-ZSOIEALJSA-N 356.447 3.791 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 19536673 ZQHIGKGGGJXYLB-HXUWFJFHSA-N 367.445 3.846 30 40 FHEB C=CCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)c(C)c2)c2ccccc21 19943253 ZIKPVSNOPRUNTD-OAHLLOKOSA-N 371.868 3.510 30 40 FHEB O=C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218665601 URYFTYXVERRCHJ-OAGGEKHMSA-N 355.242 3.748 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475533 GGZICSKIXLMAQP-FQEVSTJZSA-N 354.425 3.608 30 40 FHEB COc1ccc(/C(C)=C/C(C)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 4273557 NKIBLZAXMSQEPZ-PZRAZRRRSA-N 358.463 3.761 30 40 FHEB Cc1ccccc1/C=N/Nc1nnc(C)c(N/N=C/c2ccccc2C)n1 27579493 UMCGFLRDLVHDND-ADYPVIEZSA-N 359.437 3.689 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 101662435 YHMUYNMMXOOEFN-OAQYLSRUSA-N 373.497 3.913 30 40 FHEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)CCCC2=O 6225645 KQIHHTMMZJLOHM-UHFFFAOYSA-N 371.849 3.856 30 40 FHEB N#Cc1cccnc1N1CCC(c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 18165354 GZMMAIVFULTZHA-UHFFFAOYSA-N 374.404 3.636 30 40 FHEB COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cn1 102914618 VSGZZKRMLHJDJG-UHFFFAOYSA-N 360.417 3.646 30 40 FHEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104239771 YVWBACPZDDNQBJ-PMLGSDOKSA-N 360.370 3.542 30 40 FHEB CCCCCCCCCC[C@@H](Sc1nnc(O)nc1O)C(=O)OCC 104210093 WKVOECQBWDOIBJ-CYBMUJFWSA-N 371.503 3.837 30 40 FHEB Cc1cnc2c(S(=O)(=O)Oc3ccc(C#N)cc3Cl)cccc2c1 12589459 QSRHNXUPROICAN-UHFFFAOYSA-N 358.806 3.836 30 40 FHEB COc1ccc(-c2cs/c(=N\N=C\c3ccc(F)cc3)[nH]2)cc1OC 26507651 AMRXSYNLCREZFK-KEBDBYFISA-N 357.410 3.834 30 40 FHEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1 2405457 HZTLXVNEBJZNBB-UHFFFAOYSA-N 361.401 3.629 30 40 FHEB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 12922085 NFLUXGBUBGVOJF-CQSZACIVSA-N 352.390 3.529 30 40 FHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 9094945 DUNMZKVQLPMMDA-UHFFFAOYSA-N 353.827 3.714 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4570989 QDPNMFONKDBSRZ-CQSZACIVSA-N 370.836 3.896 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1 9494182 YDYPEUOTASUOAU-UHFFFAOYSA-N 374.495 3.703 30 40 FHEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC 9691011 UNHHECVSEQEUCM-GFCCVEGCSA-N 374.824 3.943 30 40 FHEB CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC)ccc3C2=O)cc1 9575442 PQLBODWTDKPXDH-JFENUBAZSA-N 368.385 3.642 30 40 FHEB COC(=O)c1cccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 409185287 VWYQSYYWOJTFMT-MTJSOVHGSA-N 355.390 3.554 30 40 FHEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1ccccc1F 20029529 JPCGBHOAFKVTOZ-JTQLQIEISA-N 352.394 3.672 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2C[C@H]1C 40107365 VGEYIZCGWIOLAL-OAHLLOKOSA-N 350.418 3.704 30 40 FHEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2c1 891550 SUWOGFKRTXTKTQ-UHFFFAOYSA-N 370.459 3.692 30 40 FHEB Cc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 7702488 ZCWOENPIRWBCTI-IBGZPJMESA-N 368.483 3.996 30 40 FHEB O=S1(=O)CC[C@H](/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 100310022 BYULKXUGMYBJKD-CCSWUNFSSA-N 357.353 3.571 30 40 FHEB O=C1C(=C(NCc2ccccc2)NCc2ccccc2)C(=O)c2ccccc21 2575585 NBMRHIIAMRVLLY-UHFFFAOYSA-N 368.436 3.857 30 40 FHEB Oc1ccc2ccccc2c1/C=N/Nc1nn2cnnc2c2ccccc12 4279460 YAJMLIKFHBOBFF-SRZZPIQSSA-N 354.373 3.582 30 40 FHEB NC(=S)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408978639 ADZYSFPVYXAAFN-UFWORHAWSA-N 354.262 3.740 30 40 FHEB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 66091517 DZBQABPKWCPHFA-HXUWFJFHSA-N 369.461 3.862 30 40 FHEB C#CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1 216818155 ZDFYUZAYOBLBLQ-UHFFFAOYSA-N 363.182 3.957 30 40 FHEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888382 VPYZDBUXVHSOPK-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 15883101 VGMBDHQXALHGNJ-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB N#Cc1cn(CC(=O)Nc2cccc(Br)c2)c2ccccc12 51319093 VNBWAORAJFWTAX-UHFFFAOYSA-N 354.207 3.914 30 40 FHEB N#Cc1ccc(Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])c1 32871934 VGQBDPGJPBXGEC-UHFFFAOYSA-N 356.769 3.990 30 40 FHEB C=CCOc1ccc(-c2nc(O)c3c4ccccc4c(=O)n(CC)n23)cc1 102431913 DXOQCNHBJQUKFC-UHFFFAOYSA-N 361.401 3.607 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccco3)c2C#N)C1 6764126 UYMSMSYHUWDZFX-OKPNEXGHSA-N 371.487 3.864 30 40 FHEB N#Cc1ccccc1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 7897831 QIBUQLNAEQGFTI-UHFFFAOYSA-N 367.360 3.691 30 40 FHEB CN/C(=N\CCSCc1ccc2ccccc2n1)NCc1ccccc1 8672824 DWZCTPACEUSXIB-UHFFFAOYSA-N 364.518 3.833 30 40 FHEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCC(=O)O 107790334 UKJOPQPTHFGXJC-UFFVCSGVSA-N 370.430 3.721 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cccc(F)c1 6642878 OKWLBCLTYUVUEG-QPJJXVBHSA-N 358.756 3.546 30 40 FHEB CN(C(=O)CSc1nccn1-c1cccc(F)c1)C1(C#N)CCCCC1 6972957 LOSIXIJEQJROFO-UHFFFAOYSA-N 372.469 3.788 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 7462562 UBGAMGBOHWBKFS-UHFFFAOYSA-N 362.429 3.652 30 40 FHEB Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1/C=N\n1cnnc1 409063444 KVPJMGNYPIILRA-FINSYCMTSA-N 368.759 3.688 30 40 FHEB COc1ccc2c(c1)[nH]/c(=N\N=C\c1ccnc3ccccc13)c1cccn12 169486761 XNOPJZJRRJXDPO-ZVHZXABRSA-N 367.412 3.912 30 40 FHEB COc1cc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc(OC)c1OC 12418807 UCDHUMYDVNHERP-UHFFFAOYSA-N 362.385 3.606 30 40 FHEB biogenic,in-vitro N#Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1518281 CGMUAODZXCSCQT-UHFFFAOYSA-N 350.359 3.842 30 40 FHEB C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2c(C)cc(C)cc21 100909855 IRBWGSOJXQKGMP-VXPUYCOJSA-N 365.414 3.602 30 40 FHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1 101597331 YSLZETIPFDBOJO-UFIXSJTLSA-N 371.437 3.806 30 40 FHEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804692 XTAONSKGADBKPX-HVESIFNPSA-N 364.357 3.511 30 40 FHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(F)cc1 3199692 CIAJSGNLYPKZRO-QGZVFWFLSA-N 358.438 3.845 30 40 FHEB CCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(OC(C)=O)cc2)cc1 101662480 AORSKGJBDOPXDS-UYRXBGFRSA-N 365.385 3.745 30 40 FHEB C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(O)c1 2228087 GYNSLVHXMIHUQG-GOSISDBHSA-N 361.397 3.847 30 40 FHEB C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccccc2)cs1 12794096 OEERKABTNKVQQJ-UHFFFAOYSA-N 371.487 3.561 30 40 FHEB N#C[C@@H](C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 48824433 NOSVYZOUVBPZBQ-XJKSGUPXSA-N 365.389 3.805 30 40 FHEB CO/N=C(/CCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 4084648 POQDZVWJMUEGOA-ZPHPHTNESA-N 351.855 3.863 30 40 FHEB COc1ccc(N/C(=C\C(=O)C(F)(F)F)c2cccnc2)cc1OC 408751317 DIIUHKGRKCJKGY-LCYFTJDESA-N 352.312 3.683 30 40 FHEB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1 7604780 TWPQUVFGEYXJBA-UHFFFAOYSA-N 350.403 3.859 30 40 FHEB Sc1nnc(-c2cccs2)n1/N=C/c1ccc(Br)cc1 28380048 YMQOJRPAPDEENT-OVCLIPMQSA-N 365.281 3.940 30 40 FHEB COCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409123682 HKGMJRYCBAWKDG-MHWRWJLKSA-N 354.387 3.501 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cccc([N+](=O)[O-])c1 409101009 OHOBYUDZFICQMJ-MOSHPQCFSA-N 355.394 3.963 30 40 FHEB CCn1c(N/N=C(/C)c2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc21 408692520 OHSIVLILNPTGJE-NDENLUEZSA-N 353.382 3.809 30 40 FHEB N#Cc1c(-c2ccc(Br)c([N+](=O)[O-])c2)c2c([nH]c1=N)CCCC2 408982738 YVQKQCUUZPXIKH-UHFFFAOYSA-N 373.210 3.582 30 40 FHEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 216899734 XEUXQGUQTHDWDK-YRNVUSSQSA-N 369.373 3.925 30 40 FHEB COc1cccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)c1 225839886 ZXAOOTRGEJJJRI-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB COc1ccc(N/N=C(/C)c2cc3c(C)cc(=O)oc3c(C)c2O)cc1 96343766 OFLOQTZMGJVFJK-BKUYFWCQSA-N 352.390 3.960 30 40 FHEB C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173672 URXFLOPQWGWCHW-MOPGFXCFSA-N 368.502 3.987 30 40 FHEB CC(C)(Oc1ccccc1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1776007584 NCXLOIVQXGWMKN-OAHLLOKOSA-N 359.275 3.539 30 40 FHEB N#Cc1cn(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 226362713 PXXPMPCZVFXASB-UHFFFAOYSA-N 360.373 3.710 30 40 FHEB N#Cc1c(Cl)nsc1NC1CCN(C(=O)c2ccccc2F)CC1 52243818 YZRIWENIJAEPPK-UHFFFAOYSA-N 364.833 3.524 30 40 FHEB CC(=O)N1C(=O)/C(=N/N=C(c2ccccc2)c2ccccc2)c2ccccc21 33412756 AHRIJLLFTJSNRB-YYDJUVGSSA-N 367.408 3.821 30 40 FHEB CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 53733961 UENPXYSCJYKOJQ-HNNXBMFYSA-N 367.449 3.868 30 40 FHEB C[C@@H](/N=C(/S)NC1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 13686088 FAUWWTDVZLACIY-APWZRJJASA-N 361.555 3.657 30 40 FHEB C=CCn1cc([C@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 13720818 RFTOHLOWHUFXMP-MRXNPFEDSA-N 360.413 3.883 30 40 FHEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(Cl)c1 67350851 VNUNUFIKUZWUJM-UZYVYHOESA-N 356.765 3.717 30 40 FHEB C/N=C1/S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N1C 408928680 DFDCPZLMBVOIFM-HENYTUMCSA-N 357.391 3.695 30 40 FHEB C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 225057067 MYYQUVNIPPSQKD-UHFFFAOYSA-N 353.827 3.714 30 40 FHEB OC(CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)=Nc1ccc(Cl)cn1 329078927 QQKFKAMBQNOYIB-KZNAEPCWSA-N 371.868 3.828 30 40 FHEB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 331975879 MLEKGWKSKPMGMJ-JXFKEZNVSA-N 356.466 3.523 30 40 FHEB C(=N/n1nnnc1Nc1ccccc1)\c1ccc(OCc2ccccc2)cc1 1085413 FRIRZYSNCUWUHT-PXLXIMEGSA-N 370.416 3.878 30 40 FHEB N#Cc1ccccc1CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O 90610251 NNUQTGHIXHHIFZ-UHFFFAOYSA-N 373.437 3.515 30 40 FHEB CCN(Cc1ccccc1)C(=O)CCCOc1ccc(C#N)cc1OC 40107367 SJGYGULEBKHNAD-UHFFFAOYSA-N 352.434 3.775 30 40 FHEB N#Cc1ccccc1CSCCNC(=O)Cc1cc2ccccc2o1 40158114 KMPTYBBXKWQEAO-UHFFFAOYSA-N 350.443 3.897 30 40 FHEB COc1cc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)cc1Cl 51319083 MDHBDIQBEWFDSL-UHFFFAOYSA-N 369.808 3.822 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)c1 3197404 OOIZOZXBEGOMNZ-GIJQJNRQSA-N 373.825 3.906 30 40 FHEB CCCCCCCCCNC(=O)C[C@H](NC(N)=O)c1ccccc1F 102807930 VCGPFSVJXFIHSU-KRWDZBQOSA-N 351.466 3.792 30 40 FHEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCC)c1 5563134 FTVMZPFAEDZLMP-IBGZPJMESA-N 361.397 3.923 30 40 FHEB CCOc1ccc(Br)cc1/C=N/NCc1ccccc1OC 20762811 UPKOAGFTTUHLED-UDWIEESQSA-N 363.255 3.980 30 40 FHEB C#CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1Br 408591149 ISPQLYGRYSJSQO-CIAFOILYSA-N 369.218 3.883 30 40 FHEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 48313958 IGGAWUMMLISASC-GOSISDBHSA-N 373.378 3.728 30 40 FHEB O=C(O)CCC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681918 YXUKJTXFRUHNOD-UHFFFAOYSA-N 354.115 3.955 30 40 FHEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=C(O)C(=O)[C@]3(C)[C@@H]1C2 514288108 ORKFUAJHKSRPFC-BXVVKSFMSA-N 360.450 3.838 30 40 FHEB biogenic,in-vitro CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5851054 XIYDRYGMQHZLNH-INIZCTEOSA-N 371.780 3.759 30 40 FHEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)C1 20517925 ZRBIOUMOFYOBQD-KVMVOAJRSA-N 350.418 3.635 30 40 FHEB CN1C(=O)N(C)C(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1 104171612 LCLXSMGMWGLGFR-HNNXBMFYSA-N 371.396 3.557 30 40 FHEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 12860428 AEEGMAALJWKTOQ-FHTUUITISA-N 365.385 3.928 30 40 FHEB biogenic CC(=O)N1CCc2cc(C(=O)[C@H](C)Oc3ccc(C#N)cc3Cl)ccc21 13024250 TWQDKYGAILCHJW-LBPRGKRZSA-N 368.820 3.771 30 40 FHEB C=CCc1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccc1OC 20456834 PDJCFAWHLYLSLE-UHFFFAOYSA-N 361.445 3.848 30 40 FHEB Cc1c(C#N)c(NC(=O)CSc2ncccn2)n(C2CCCC2)c1C 8709305 GHLUXDDKKPQIIA-UHFFFAOYSA-N 355.467 3.613 30 40 FHEB CCN(CC)CCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21 4149324 DICZYEBEVVSFAM-UHFFFAOYSA-N 361.493 3.762 30 40 FHEB N#Cc1c(NC(=O)CSc2ncnc3sccc23)sc2c1CCC2 6115382 ACDXMQGLGSGSQZ-UHFFFAOYSA-N 372.500 3.844 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6238339 FDKWUYBSDHZEMA-UHFFFAOYSA-N 358.463 3.708 30 40 FHEB Cc1cc(C(F)(F)F)c(C#N)c(SCCC(=O)Nc2nccs2)n1 8843584 NBPRKZYIVKNBLD-UHFFFAOYSA-N 372.397 3.858 30 40 FHEB N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2ccccc2o1 66516395 DHRPTSUAPCKHEB-MRXNPFEDSA-N 364.376 3.892 30 40 FHEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218664740 QTYUEJZYBMSWNC-OWCLPIDISA-N 355.242 3.748 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)C2(C#N)C#N)cc1 218339707 WEPIZKFGYOWMFQ-IAGOWNOFSA-N 356.834 3.622 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 40107294 RLYZSIDQVANDMK-ROUUACIJSA-N 356.466 3.907 30 40 FHEB C=CCN1C(=O)CCC12CCC(NC(=O)c1cccc(Cl)c1C)CC2 2055819448 XWHMIIFTQYVHJG-UHFFFAOYSA-N 360.885 3.868 30 40 FHEB N#C[C@H](C(=O)/C(=N/N)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6512611 WZZDCVFKWCYXCM-UIDRDQRISA-N 371.227 3.792 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@@H](c2ccccc2)N2CCCC2)cc1 22801051 VOFVHVVWELQYLY-QHCPKHFHSA-N 362.521 3.963 30 40 FHEB CCN1CCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)CC1 19820532 DOJKIXKUXJNRGJ-UHFFFAOYSA-N 373.913 3.532 30 40 FHEB CC(C)c1nc(OCCN2CCCCC2)c(C#N)c2c1COC(C)(C)C2 12324700 ZAUZISMNWCKTAC-UHFFFAOYSA-N 357.498 3.793 30 40 FHEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 55891228 GAUVNWDPMZFLEM-UHFFFAOYSA-N 371.433 3.549 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccc(C)c1 8774564 GTVOLGGQEYXVAV-OAHLLOKOSA-N 370.522 3.979 30 40 FHEB Cc1nc(C(N)=S)sc1C(=O)/C=C\c1c(O)ccc2ccccc12 5808935 ILTPMWGMFDQXJA-CLFYSBASSA-N 354.456 3.841 30 40 FHEB CCCCCCNC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 5826016 KJENZKOMJGIPLH-AWEZNQCLSA-N 367.902 3.646 30 40 FHEB C=CCN1C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 20676359 RKRWPKUQRRPRPF-GOSISDBHSA-N 374.366 3.536 30 40 FHEB C=CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccc(OC)cc1 11811326 PFDHDMUJESIOPV-GOSISDBHSA-N 367.474 3.965 30 40 FHEB CC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 705909 HSQBQRHHPNPUDH-UHFFFAOYSA-N 368.462 3.568 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@@H](c2cccc(F)c2)N(C)C)cc1 22924267 LRLJFFHZSRGZHC-NRFANRHFSA-N 354.473 3.568 30 40 FHEB C/C(O)=N/S(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 987886 LCWNSNYUXWHABC-UHFFFAOYSA-N 360.222 3.797 30 40 FHEB CCn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 1065980 HYHYDYBJOIHZLS-UHFFFAOYSA-N 373.438 3.656 30 40 FHEB FC(F)(F)c1nnc2n1N/C(=N/c1c(Cl)cccc1Cl)CS2 27028812 LHBDDMJZTCGIAV-UHFFFAOYSA-N 368.171 3.983 30 40 FHEB O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1cccc(N2CCOC2=O)c1 58417564 HVXQSTMJNISFDK-MDZDMXLPSA-N 373.412 3.784 30 40 FHEB C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 2346596 XUAVTDZZZIHFQT-KRWDZBQOSA-N 350.509 3.997 30 40 FHEB CCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)s1 5450478 NRSQIYGQLBRJJB-SECBINFHSA-N 350.494 3.641 30 40 FHEB COc1ccc(/C(=C/c2ccc(N(C)CCC#N)cc2)C(=O)O)cc1OC 5737913 DRSACHDSXARWCN-AQTBWJFISA-N 366.417 3.679 30 40 FHEB N#Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)sc2c1CCCCCC2 17073072 SNDXLDVKDKFFHO-LZDSYCOUSA-N 352.459 3.590 30 40 FHEB Cc1ccc2nc(N3CCN(C(=O)c4ccccc4F)CC3)c(C#N)cc2c1 19221162 ZOCKMVOZMFBRRW-UHFFFAOYSA-N 374.419 3.516 30 40 FHEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 1871317 XPJSYVSOPZVTNB-AJHHATNJSA-N 360.494 3.811 30 40 FHEB C=CCN1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 101248051 AJNJFGVTOXHLFL-UHFFFAOYSA-N 357.435 3.575 30 40 FHEB C[C@]12C[C@H](O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118934710 VRTQRHLAZBBCKG-HAXSJCRZSA-N 352.902 3.602 30 40 FHEB C#CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC 408588607 BZZQVUBTDUTJNL-DEDYPNTBSA-N 354.362 3.556 30 40 FHEB C=CCn1c(SCc2nnc(C)s2)nnc1-c1ccccc1OC 95459394 FPOOCLLEACGQBM-UHFFFAOYSA-N 359.480 3.592 30 40 FHEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 35647192 VQWOHXPEMZTMEV-GZTJUZNOSA-N 366.442 3.982 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019896 RZUNMWORKGTJHC-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB O=[N+]([O-])c1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1 1473716 KNCDLUMHIZRQAR-MFOYZWKCSA-N 359.798 3.678 30 40 FHEB N/C(=N/OC(=O)Nc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 13110984 BQTDXCPMBRQCAA-UHFFFAOYSA-N 358.707 3.623 30 40 FHEB COc1cc(OC)cc(C(=O)O/N=C2\C[C@H](C)Cc3cc(O)ccc32)c1 4474135 LZCWPEMJBLFAQC-DJAIZDMLSA-N 355.390 3.553 30 40 FHEB CCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CC)n2c(C)nnc2S1 4518230 IAKWVXAGYRWAEH-UHFFFAOYSA-N 370.478 3.532 30 40 FHEB C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 6365327 YDVNFECDARCRPN-LLVKDONJSA-N 371.487 3.982 30 40 FHEB CC/C(C[C@@](C)(CC)[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104110583 YQDQRRVKUQSBND-MFYHJKBNSA-N 353.335 3.516 30 40 FHEB CN/C(S)=N/N=C/c1ccccc1OCc1c(F)cccc1Cl 1968725 HLGBQMXFOGHQLQ-AWQFTUOYSA-N 351.834 3.897 30 40 FHEB N#CCSCC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 48810209 HFJNNLUCOZKHNN-OAHLLOKOSA-N 353.285 3.663 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 4115477 SEBABWIAJNZWEC-GZTJUZNOSA-N 368.408 3.584 30 40 FHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccccc2)cc1 5071584 ITWBCSZDEZGLAG-WWUDWGLGSA-N 353.447 3.549 30 40 FHEB COc1nc2ccccc2cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6169895 MEYPCRULALUDJD-VCHYOVAHSA-N 367.321 3.506 30 40 FHEB CC#CCSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 95962041 YJGNRUOMURSKMB-UHFFFAOYSA-N 350.447 3.843 30 40 FHEB C=CCn1c(S[C@@H]2CCCC[C@@H]2O)nc2sc(C)c(C)c2c1=O 89565201 HNUDOOHXSFTJHO-QWHCGFSZSA-N 350.509 3.656 30 40 FHEB C=CCOc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 38771259 FUFCAFGIHDHWRH-UHFFFAOYSA-N 350.418 3.626 30 40 FHEB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC#N 3284457 JKAPNJYONNASKC-VOTSOKGWSA-N 350.205 3.627 30 40 FHEB CCOC(=O)c1[nH]c2c(c1C)/C(=N/Nc1nc(C)cc(C)n1)CC(C)(C)C2 102226304 RIKADPQPHOUYOB-BUVRLJJBSA-N 369.469 3.695 30 40 FHEB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/Cc1cccs1 102754534 QSYBBAPOXRUGLG-VCHYOVAHSA-N 354.460 3.764 30 40 FHEB COc1cc(/C=C/C(=O)Nc2cccc(SC)c2)ccc1OCC#N 6790042 QLPIXBAWQMLESC-VQHVLOKHSA-N 354.431 3.971 30 40 FHEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccc(F)cc1 104238040 NVAITYQBMOOQEG-GHXNOFRVSA-N 361.716 3.518 30 40 FHEB COc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)cc1 12922000 PPFXOQINJWHNHN-CYBMUJFWSA-N 364.430 3.577 30 40 FHEB COc1cc(C(=O)/C=C/Nc2ccc(N(C)C)cc2)cc(OC)c1OC 4140918 DGOUDDQBNXEFPP-ZHACJKMWSA-N 356.422 3.587 30 40 FHEB Cc1c(C#N)c2nc3ccccc3n2c(=O)/c1=C/Nc1ccc(C(C)C)cc1 5020285 KXLMIYYAANKOGF-CPNJWEJPSA-N 368.440 3.720 30 40 FHEB C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 4997076 WSGPQZOJBVCVQY-UHFFFAOYSA-N 354.435 3.511 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3cccc(F)c3)c2C#N)C1 7843507 CBENMFNZWVOQGJ-CYBMUJFWSA-N 371.481 3.954 30 40 FHEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1NC(=O)c1ccccc1 409199872 FHZPUWFSIAXGLX-UUYOSTAYSA-N 361.401 3.968 30 40 FHEB C=CCOc1ccccc1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 532100016 SQNLLSPKCMEYQV-QFIPXVFZSA-N 366.461 3.709 30 40 FHEB Cc1cccc(Cn2nc(OCc3ccccc3Cl)c(C#N)c2N)c1 225845278 XIFGONITYHYTLU-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2ccccc21 223718386 RPTVYEJXLSJZMP-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB CC1(C)OB([C@@H]2CCN(C(=O)Cc3ccc4ncsc4c3)C2)OC1(C)C 1776007564 LTSXPKRMYZSLIG-CQSZACIVSA-N 372.299 3.534 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960000 UTHOHMZTNPNWBA-DIFFPNOSSA-N 352.419 3.657 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc1 5376879 OVTNPEGIDCWMIK-BOPFTXTBSA-N 366.442 3.982 30 40 FHEB COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC#N 6441217 NCPOYXCOJJMMOG-OQLLNIDSSA-N 368.776 3.595 30 40 FHEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5245804 YXWSFIGAPDDQRB-IERDGZPVSA-N 372.428 3.702 30 40 FHEB CC1(C)[C@H]2CS[C@@](c3ccccc3)(S2)C(C#N)(C#N)C1(C#N)C#N 102038609 RHTBPRZUFNTFHS-KDOFPFPSSA-N 350.472 3.795 30 40 FHEB CC(=O)O[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 947890 JQANAUKZZDFDDI-KRWDZBQOSA-N 354.431 3.741 30 40 FHEB N#Cc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 101463838 IGOFNCWSZSIRGA-NJNXFGOHSA-N 365.396 3.777 30 40 FHEB O=C(O)c1ccc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)cc1 5236484 IMHXVNNCJBGHPD-AWQFTUOYSA-N 372.837 3.804 30 40 FHEB CCOc1ccc(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 6538568 OUGCRVAPHFOJSC-VZUCSPMQSA-N 352.390 3.648 30 40 FHEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 5782665 VFIMTESOORCXJD-JAIQZWGSSA-N 373.364 3.926 30 40 FHEB biogenic C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccc2ccccc2c1O 7159517 ODVWOJROEACZNW-RCCKNPSSSA-N 368.458 3.865 30 40 FHEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 73641903 ZZJJIAGXZHTUPG-UHFFFAOYSA-N 356.721 3.846 30 40 FHEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1 136782253 ILMINFQMTSJKJJ-OCLZBJRFSA-N 359.476 3.917 30 40 FHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)COC)cc1 225656279 ZXLUHYLSZXMKSA-ACRUOGEOSA-N 369.486 3.654 30 40 FHEB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c(OC)c1 11584551 JZJRFJSHEKVNQF-FQEVSTJZSA-N 364.445 3.872 30 40 FHEB CN1/C(=C\C(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 17951366 HZVGNEJLDNQLRC-UNOMPAQXSA-N 352.390 3.854 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2ccc(F)cc2Br)cc1 17837103 QXMJYPYWOJZQTE-UHFFFAOYSA-N 364.170 3.696 30 40 FHEB C/C(=N\Nc1ccccc1)[C@]1(C)N(O)C(C)(C)C(c2ccc(C)cc2)=[N+]1[O-] 7813289 FYODMUXCJIBRKL-IFRHDIGASA-N 366.465 3.982 30 40 FHEB N#CCc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 12796822 QMDWFBDRHMRUPE-UHFFFAOYSA-N 356.809 3.749 30 40 FHEB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 12768465 COXHXXAEDKVJNH-QFIPXVFZSA-N 355.397 3.679 30 40 FHEB C[C@@H](Sc1cccc[n+]1[O-])C(=O)/C=C1/N(C)c2ccccc2C1(C)C 11205607 NPQSBBNLLMYRAH-QFGUUYLXSA-N 354.475 3.681 30 40 FHEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)cc1 8844487 NPVHEZLGSOYHHS-UHFFFAOYSA-N 365.389 3.530 30 40 FHEB COC(=O)/C=C1\S/C(=N\c2ccccc2)N(c2ccc(OC)cc2)C1=O 5243215 GYVMOSPRXZUZQC-ZZCYQEOYSA-N 368.414 3.520 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 5555729 OMWCZYLELCRQEY-RGVLZGJSSA-N 373.865 3.817 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O 20568869 VXVDMZVYKBVQRG-GOSISDBHSA-N 360.413 3.602 30 40 FHEB CC[C@H](C)n1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409405914 IUNMTQMVNMMWHP-IYNKWVJVSA-N 361.445 3.753 30 40 FHEB CCOc1cc2c(cc1O)/C(=N/OC)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 32068742 UEBKXOVVEDPLRF-FGXHOXPKSA-N 359.466 3.816 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)s1 225772770 NWXHRVJLEQUYBS-ZDUSSCGKSA-N 365.480 3.621 30 40 FHEB O=C(O)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(Cl)C(F)(F)Cl 100045804 LXQALNRZYKVNKJ-YFKPBYRVSA-N 362.959 3.645 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13685711 GTGAONRDBNLJBQ-MRXNPFEDSA-N 352.434 3.625 30 40 FHEB CCOc1ccc(OCCO/N=C(\C)c2ccc(NC(C)=O)cc2)cc1 14397482 HRRBERKGJOLBNY-PXLXIMEGSA-N 356.422 3.863 30 40 FHEB CSc1nc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2s1 8705633 BFMWDLKKUQGTBP-UHFFFAOYSA-N 361.473 3.691 30 40 FHEB CCN1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 22989693 CLYIOMCWAICOQA-ZCJKAFFOSA-N 353.425 3.802 30 40 FHEB C/C(=N/N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 946026 FXYHXEXLGWXHTD-HKWRFOASSA-N 358.283 3.995 30 40 FHEB C[C@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 100220418 LFGUOKSONBHVJF-AQYBPFCFSA-N 370.365 3.745 30 40 FHEB C=CCn1c(C)cc(-c2csc(CC(=O)NCc3ccco3)n2)c1C 36391793 MLOIZBKFGUHHNV-UHFFFAOYSA-N 355.463 3.866 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1cccc(F)c1 2463594 KZAXJGAONTXUKH-GDBMZVCRSA-N 374.437 3.594 30 40 FHEB CCOc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1ccccc1 5444463 ACWQVXAPLMBDCX-RGVLZGJSSA-N 354.435 3.801 30 40 FHEB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=N\Nc1ccc(C)cc1Cl 7167326 SSGGXTLRWPIFFB-PGMHBOJBSA-N 370.796 3.537 30 40 FHEB CCc1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 35671211 JGXDJASGDGQGGU-UHFFFAOYSA-N 367.384 3.682 30 40 FHEB CN1CCC[C@H](C/N=C(/O)[C@@H]2CCn3cncc3C2)[C@H]1c1cccs1 329009809 ZJIXFWWYUWIKOE-RKVPGOIHSA-N 358.511 3.547 30 40 FHEB O=C(O)CC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677018 PBCSXNBWNQQSMF-SCSAIBSYSA-N 358.103 3.886 30 40 FHEB COc1ccccc1N1CCC[C@@H](O/N=C(\C)c2sc(C)nc2C)C1=O 584906943 UUMXFZOVDXEPDW-VYVDHXHBSA-N 373.478 3.705 30 40 FHEB C[C@H]1C[C@H](C)CN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 11612356 LSCGZJZKKAPTNP-OKZBNKHCSA-N 364.489 3.775 30 40 FHEB C=CCN1CCC[C@@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19530051 XUCVLPVQZZMZCF-RXVVDRJESA-N 374.456 3.540 30 40 FHEB CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)cc1 703546 IMSWFBZTJOFICF-FQEVSTJZSA-N 360.417 3.735 30 40 FHEB N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)F 2784665 KISWGZAJHNTKJQ-RYUDHWBXSA-N 353.170 3.880 30 40 FHEB COCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4896879 NQMNKNCAVFCCBC-KVTLELNYSA-N 358.478 3.529 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccncc2)o1 796005 RPISMGVUDATWHP-IBGZPJMESA-N 374.396 3.762 30 40 FHEB Cc1ccc(C)c2c(C)c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)oc12 56417808 WRQHBZNXQCYHMY-UHFFFAOYSA-N 374.444 3.587 30 40 FHEB O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN1CCCCCC1 2218709 UEGDZQIKUOMVAF-UYRXBGFRSA-N 350.418 3.779 30 40 FHEB N#CC1(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 5170157 IGNMEGPBLNMGRB-UHFFFAOYSA-N 362.429 3.639 30 40 FHEB Cc1nc(C/C(N)=N/OCc2csc(C3CCCCC3)n2)cs1 65497104 MPSJISDINJFIBM-UHFFFAOYSA-N 350.513 3.987 30 40 FHEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408867114 JXQPMZZVEVYGFC-LPYMAVHISA-N 361.401 3.594 30 40 FHEB C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1 8277136 MQUHWGQSXOJTBD-UHFFFAOYSA-N 355.419 3.949 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc(F)c1 22608206 PYSXDHGJROEYHX-RMLUDKJBSA-N 366.318 3.704 30 40 FHEB COc1ccc(Cl)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408941868 PXYPWIHFAZTJEH-PXNMLYILSA-N 350.718 3.611 30 40 FHEB N#Cc1cccc(C(=O)NCC2(Sc3ccccc3)CCOCC2)c1 96330975 NVJUHFFXVKMNPS-UHFFFAOYSA-N 352.459 3.630 30 40 FHEB CCOc1cccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 14257825 XPPOHVCXNFRFMM-UHFFFAOYSA-N 359.476 3.762 30 40 FHEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)cc1 1354055 LLMHFPYAOTZCIU-UHFFFAOYSA-N 362.364 3.551 30 40 FHEB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@]231 4280507 RTQHUAHEQACVGY-BTOHRNCKSA-N 370.445 3.520 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)sc2c1CCC2 4505130 AEFXRPVFILOSAE-OAHLLOKOSA-N 371.849 3.894 30 40 FHEB C=CCn1cnnc1S[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132855 WYYGFTSILXTWQU-QCUKBLKESA-N 368.506 3.825 30 40 FHEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 101650792 XCTAWHSSIZQAGF-MBOBHEEDSA-N 367.474 3.839 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)o1 28233704 UXJUVPUECJJGDK-SFHVURJKSA-N 366.461 3.507 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1 24507084 SNAYVPWMGRNDCE-UHFFFAOYSA-N 369.346 3.673 30 40 FHEB C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21)c1ccccc1 105381792 UARIRGJWHKWMHN-MEXDPVRDSA-N 369.505 3.863 30 40 FHEB biogenic CCNc1nc(Sc2ccc(C#N)cc2[N+](=O)[O-])nc2ccccc12 12870410 RCPGLDVZWFRCFB-UHFFFAOYSA-N 351.391 3.993 30 40 FHEB Ic1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 408719532 NDNHHODLMOKXOY-CXUHLZMHSA-N 362.174 3.614 30 40 FHEB CCOc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 5900640 GKPSGHCYICHSPA-OCKHKDLRSA-N 356.374 3.727 30 40 FHEB biogenic Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(C)cc3)c(=O)c2C#N)cc1 409197147 XACAWIPNTOUGEL-XFXZXTDPSA-N 371.396 3.590 30 40 FHEB S=C(N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 33381822 IMPWGGGRTFHXJR-JZAWIKSFSA-N 351.262 3.826 30 40 FHEB CCN(CC)c1nc(-c2cccc(Br)c2)c(C#N)c(N)c1C#N 96336699 XTLMIFLIJHBTMR-UHFFFAOYSA-N 370.254 3.683 30 40 FHEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)C1 20517932 SXNUIQMUHDXGEA-SAGYFLTASA-N 350.418 3.635 30 40 FHEB N#Cc1c(N2CCOCC2)nc2c(c1C#N)CCC/C2=C\c1ccccc1 35326417 TYWKGSAGPASHPI-GHRIWEEISA-N 356.429 3.538 30 40 FHEB CC(C)(C#N)C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58299709 SGUMCLDMFIVMMQ-UHFFFAOYSA-N 358.392 3.611 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)CC#N)[C@H]2c2cccs2)cc1 58421125 WERIOUVQEWNHMY-QOKNQOGYSA-N 367.474 3.569 30 40 FHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(C(C)C)cc3)cnc12 2437456 FBUAFWPDNMRIJS-FOKLQQMPSA-N 360.417 3.892 30 40 FHEB C=CCn1c([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S 5901795 IQYBKUYVPADGMM-ZDUSSCGKSA-N 350.875 3.907 30 40 FHEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7837316 QTQUUQOEJYLHBZ-WDEREUQCSA-N 363.508 3.706 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Br)o1 409039470 WRDDHTYVLWAFND-YPEHOIGNSA-N 357.023 3.756 30 40 FHEB C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)[C@@H]1OCCc2sccc21 584515831 PBLUIHOZFXKNEJ-YJYMSZOUSA-N 352.459 3.849 30 40 FHEB N#Cc1nc(-c2cccs2)oc1S(=O)(=O)c1ccc(Cl)cc1 1775975666 FCOGCYDNYRRECX-UHFFFAOYSA-N 350.808 3.761 30 40 FHEB Cc1ccc2c(Nc3cccc(C#N)c3)c(C(=O)N3CCCC3)cnc2n1 49004532 GRRVECBCAFUFLS-UHFFFAOYSA-N 357.417 3.790 30 40 FHEB N#Cc1ccccc1NC(=O)C(=S)Nc1ccc(Br)cc1 626261 FKJDZKNVZKDIOJ-UHFFFAOYSA-N 360.236 3.699 30 40 FHEB CC[C@@H](C)[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 57304387 IVYQHLLPLZTLRC-ZIAGYGMSSA-N 370.453 3.573 30 40 FHEB COC(=O)C(C(=O)c1cc(F)c(F)cc1Cl)=C1Nc2ccccc2N1 6016590 DKCBJFRYOTTXMA-UHFFFAOYSA-N 364.735 3.723 30 40 FHEB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 4673420 QKPAXSGBQIRJOU-CYBMUJFWSA-N 366.808 3.803 30 40 FHEB Cc1cccc2[nH]c(C(=O)OCC(=O)N(CCC#N)c3ccccc3)cc12 9335801 OGAIXRIGRDKPSL-UHFFFAOYSA-N 361.401 3.580 30 40 FHEB C=CCNc1nnc(SCC(=O)N2CCC[C@H]2c2cccs2)s1 9450399 OYWWSCRCVMZVQB-NSHDSACASA-N 366.537 3.653 30 40 FHEB COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c1 2265896 CZSQEMRDXQRHDH-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB N#CCCSc1nc2nc(-c3ccccc3)cc(-c3cccnc3)n2n1 19960938 OFCYBFAHRBWJFY-UHFFFAOYSA-N 358.430 3.859 30 40 FHEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269855 BKOZFYNSJMHXKX-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 5425175 UOFOKSALTPLFTD-KPZWWZAWSA-N 366.808 3.940 30 40 FHEB C#Cc1cccc(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)c1 40132439 DLQYCOAVPOKWOH-UHFFFAOYSA-N 371.440 3.838 30 40 FHEB C[C@@H](O/N=C/c1cccs1)C(=O)Nc1ccc(Br)cc1 21034552 QCARSAJVLXQWMZ-VCBXAZPMSA-N 353.241 3.888 30 40 FHEB N#Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 78758199 WYVIJGMIBKKDGL-CVEARBPZSA-N 373.225 3.880 30 40 FHEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc3n2CCCCC3)cc1 71890622 JVQJTAWHTWLFCK-LJQANCHMSA-N 361.493 3.646 30 40 FHEB CC/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 47437487 QGKFGKWBVYTNKX-LTGZKZEYSA-N 368.405 3.918 30 40 FHEB Cc1noc(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)n1 54122777 AITNZNVDLBYVLK-UHFFFAOYSA-N 372.428 3.937 30 40 FHEB N#Cc1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 5000384 VREAUUUAJGSMPT-UHFFFAOYSA-N 362.776 3.558 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 5195395 BXVARRUDFDVRME-HIPMGEKLSA-N 356.349 3.772 30 40 FHEB C=CCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 84670739 VKYWRCIMONNSED-UHFFFAOYSA-N 363.436 3.929 30 40 FHEB C=CCSc1nnc(NC(=O)COc2cccc3c2CCCC3)s1 223681793 GCDQNIPSQNAKIH-UHFFFAOYSA-N 361.492 3.713 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019597 ARCGGALLWQXNSZ-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCOc1ccc(Cl)cc1 46084700 IQKSRPGJPJIWQL-RGEXLXHISA-N 351.189 3.597 30 40 FHEB CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21 206457940 NZRACXOBLXBSFK-IQHZCEOMSA-N 374.477 3.672 30 40 FHEB Cc1ccc(S(=O)(=O)OCC2(c3cccs3)CCOCC2)cc1 12370711 OZWQPINOYPXHPX-UHFFFAOYSA-N 352.477 3.510 30 40 FHEB C=CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCc2ccccc21 32916159 CMNKNZZWUIIBGC-UEUGHCDMSA-N 367.493 3.620 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC[C@@H]1CO1 103539831 KMIGYHDUVWFLSB-SCSAIBSYSA-N 356.131 3.505 30 40 FHEB C=CCn1c(CCC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2361777 SZHUDWVOTGEOFG-UHFFFAOYSA-N 369.490 3.996 30 40 FHEB COC(=O)c1cc2ccccc2cc1OCC(=O)Nc1sccc1C#N 48326146 QBYHNUUJTMBUMW-UHFFFAOYSA-N 366.398 3.577 30 40 FHEB O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 2412581 GHXRGSAUNOTDED-DKFQHHCZSA-N 362.212 3.806 30 40 FHEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Br)cc1 3422190 YXUBZXINQWIWLY-CYBMUJFWSA-N 372.266 3.780 30 40 FHEB C=CCc1cc(/C=N\c2ccc(N(C)C)cc2)cc(OC)c1OCC(=O)O 408851670 MANWSHNNJPGOKQ-XKZIYDEJSA-N 368.433 3.704 30 40 FHEB CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 6264737 MTTKKYWVJUYXSP-NNIWKIFQSA-N 355.463 3.786 30 40 FHEB N#CCC[C@H](C#N)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 14196832 FQQIUVNROFZGIT-GFCCVEGCSA-N 352.394 3.708 30 40 FHEB N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2ccccc2o1 66516394 DHRPTSUAPCKHEB-INIZCTEOSA-N 364.376 3.892 30 40 FHEB CCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1OCCC 16096008 IXCQQODKGKEQQW-UHFFFAOYSA-N 374.462 3.937 30 40 FHEB CN(C)CCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 9060879 NOFLZZBFPATPCJ-UHFFFAOYSA-N 365.481 3.522 30 40 FHEB CCOc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)c1 22608407 INFHUAROCBCSFN-PIGZYNQJSA-N 370.478 3.667 30 40 FHEB CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)cc1 96005562 DTFIGIFECBMCQR-KRWDZBQOSA-N 372.469 3.812 30 40 FHEB CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820616 SMPJXEWHZIIVCU-CYBMUJFWSA-N 360.870 3.981 30 40 FHEB CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F 30371229 PMFDSJYPQUHRMA-HNNXBMFYSA-N 366.389 3.589 30 40 FHEB N#Cc1cccc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)c1 62129198 YNHNVDLNHOCLPJ-UHFFFAOYSA-N 370.456 3.974 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2Cl)cc1OC 35333336 HNDPBEJZPKEMNN-JAIQZWGSSA-N 362.813 3.737 30 40 FHEB N#Cc1cc(Br)ccc1OS(=O)(=O)CC1CCCCC1 1621908313 CJFCPCCAILWGDQ-UHFFFAOYSA-N 358.257 3.610 30 40 FHEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(S(=O)(=O)O)cc1 12590068 LULYBIHFXKWWBQ-HNENSFHCSA-N 372.471 3.882 30 40 FHEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCCC1 3485645 DZWZWDUUGCDVMI-UHFFFAOYSA-N 370.522 3.920 30 40 FHEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 6576965 LUDYOKCZETWCOX-BHDDXSALSA-N 367.445 3.987 30 40 FHEB C=C(C)CN(CC)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 57158069 BGNQOEGZMXRMCU-HXUWFJFHSA-N 350.462 3.972 30 40 FHEB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10672172 FKECDBJAXYPOQR-UHFFFAOYSA-N 368.502 3.900 30 40 FHEB C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 4436250 NVVOJGAGYGGHQS-QGZVFWFLSA-N 352.463 3.887 30 40 FHEB CC(C)N1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4724201 DNNMAEWTCWBBTQ-QEVSYEORSA-N 361.441 3.858 30 40 FHEB Cc1cc(=O)[nH]c(N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)n1 15905953 WQCXODZOHOGTLZ-KEBDBYFISA-N 355.829 3.585 30 40 FHEB N#Cc1ccc(N2CC[C@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cc1 84383913 PNXZNCJNLQKUAZ-AWEZNQCLSA-N 363.364 3.870 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409046291 JUISKGZTOJMXGX-GZTJUZNOSA-N 351.383 3.819 30 40 FHEB N#Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 36774853 GTAYOUAIWYTVBN-OAHLLOKOSA-N 351.362 3.579 30 40 FHEB Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)OCc1ccccc1 642814553 LPOHOIYXZRPCAD-UHFFFAOYSA-N 352.239 3.651 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5270447 OTDNNQDPFNZFTC-BTYIYWSLSA-N 372.428 3.708 30 40 FHEB CC1(C)C[C@]2(C[C@H](c3ccccc3)C3=C(CCCC3=O)O2)NC(=S)N1 875622 DNCPBPAQSAKGLJ-JLTOFOAXSA-N 356.491 3.540 30 40 FHEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347496 RPQLNUCFPVDNBT-OAHLLOKOSA-N 353.422 3.715 30 40 FHEB Cc1nc2n(n1)[C@H](c1ccccc1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608789 XRODBECITGZSKO-HXPMCKFVSA-N 364.380 3.734 30 40 FHEB CN(CCC(=O)Nc1ccccc1C#N)Cc1nc2ccccc2s1 12760449 JGAAODIBPJDXFG-UHFFFAOYSA-N 350.447 3.629 30 40 FHEB N#CCn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409046872 LCSMZSYTMNMKQI-HCGXMYGOSA-N 366.240 3.879 30 40 FHEB N#CCCSc1ccccc1NC(=O)c1cccnc1N1CCCC1 95944768 CQVKUIJRDALXSM-UHFFFAOYSA-N 352.463 3.940 30 40 FHEB C#C[C@]1(O)C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)O)[C@]21C 118925598 RZPXETGGKJXNQJ-ITLXFUIDSA-N 358.522 3.569 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cccc(SC)c2)c1C#N 409063442 KVKDVQPDFSBDQR-UHFFFAOYSA-N 373.503 3.861 30 40 FHEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 225932700 ZINVBOJFQTYHDI-UHFFFAOYSA-N 372.852 3.987 30 40 FHEB COC(=O)[C@@H]1C=CC(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)=CC1 256055553 KZJVATAHOFBPNE-QJISPJEISA-N 368.458 3.713 30 40 FHEB Cc1cc(O)c2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2c1 32502251 XSSDJIYKZAYNHM-UHFFFAOYSA-N 352.415 3.983 30 40 FHEB biogenic Cc1cc(C)nc(/N=C(/NC(=O)c2ccc(F)cc2)Nc2ccccc2)n1 2290697 MDBUMFDUFJMGCB-UHFFFAOYSA-N 363.396 3.762 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5270458 OTDNNQDPFNZFTC-VFNWGFHPSA-N 372.428 3.708 30 40 FHEB OC(/C=C/CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F 104206578 VAKDPITXIDWRMQ-OWOJBTEDSA-N 374.121 3.644 30 40 FHEB N#Cc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364486 XVEKMEAMNJNOQQ-GOSISDBHSA-N 355.397 3.717 30 40 FHEB Cc1cccc2cc(C#N)c(SCC(=O)NCc3cccs3)nc12 4849054 YKQOKTLRDVWYNB-UHFFFAOYSA-N 353.472 3.885 30 40 FHEB CCOc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@@H]2c2ccccc2)cc1 12296364 BSNJBJABIOPHIL-QGFLDLQWSA-N 362.429 3.948 30 40 FHEB biogenic C=CCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 2245858 VOPGNDRGJXHWEN-UHFFFAOYSA-N 371.444 3.591 30 40 FHEB COc1ccc(/C=N/Nc2nc3ccccc3n2C)cc1Br 408660531 QKBPUQOINACPKO-VCHYOVAHSA-N 359.227 3.790 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 4699761 OAQWVKBSLYZKLL-UHFFFAOYSA-N 361.879 3.889 30 40 FHEB C#CCOc1c(CC=C)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 408909376 GVEVTHLYOCCFFC-UHFFFAOYSA-N 358.393 3.898 30 40 FHEB CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCC#Cc1ccccc1 95451635 OQYNGXWQNYRALP-AVRDEDQJSA-N 370.493 3.628 30 40 FHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 223720784 CAQHEOSGRLSAEF-UHFFFAOYSA-N 359.491 3.997 30 40 FHEB CC(C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 509545900 UKTUOQGTFFOVOU-QGZVFWFLSA-N 364.371 3.949 30 40 FHEB O=c1[nH]c2ccc(/N=C/c3cc(Cl)cc(Br)c3O)cc2[nH]1 1510747 ZTYDWCHTJHPQSK-UBKPWBPPSA-N 366.602 3.728 30 40 FHEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1 16092423 MLQNPLNOFOXJBV-UHFFFAOYSA-N 363.394 3.557 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2cccs2)cc1 1711630 RKPCHPKUHJRDOT-VHEBQXMUSA-N 356.472 3.787 30 40 FHEB COC(=O)c1ccc2nc(/N=C/c3ccc(OC)cc3OC)sc2c1 2843335 RCQLFECDDKUXKP-VXLYETTFSA-N 356.403 3.851 30 40 FHEB Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 23990257 VBOZCTLMCXAVGZ-UHFFFAOYSA-N 354.841 3.770 30 40 FHEB COc1cc(/C=N\NC(N)=S)ccc1OCc1cccc2ccccc12 28616368 CDXNIACEGIJFKF-UUYOSTAYSA-N 365.458 3.595 30 40 FHEB CN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 13116108 BGTVSCUIMOUGOF-UHFFFAOYSA-N 361.493 3.544 30 40 FHEB COC(=O)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409103512 AAYUAKILGOEDNV-HYARGMPZSA-N 368.433 3.841 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccccc2Br)s1 6735367 JCGWKPSOFASUDP-UHFFFAOYSA-N 356.270 3.831 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 409145870 QIDGESSOIPMXSX-MDPPUERRSA-N 364.376 3.617 30 40 FHEB CCNC(=S)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 34877390 AJHPHOHVVVJYGB-MFOYZWKCSA-N 352.257 3.527 30 40 FHEB CCc1ccc([C@H](SC(C)(C)C)C2=C(O)N[C@H](S)NC2=O)cc1 223812672 ZKPUKFIQDGUVBL-BBRMVZONSA-N 352.525 3.524 30 40 FHEB CC1(C)C[C@@]2(C[C@@H](c3ccccc3)C3=C(CCCC3=O)O2)NC(=S)N1 875620 DNCPBPAQSAKGLJ-XOBRGWDASA-N 356.491 3.540 30 40 FHEB N#CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 15224858 COINQAWDQPWVJF-UHFFFAOYSA-N 351.431 3.823 30 40 FHEB CCOCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 17004929 GGRLJIDECNWEAX-OBGWFSINSA-N 358.354 3.746 30 40 FHEB CCC(N/C(O)=N/c1ccccc1C(=O)OC)(C(F)(F)F)C(F)(F)F 5524356 XRHPNTQSSTWFGT-UHFFFAOYSA-N 372.265 3.882 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccccc2F)sc2cc3c(cc21)OCCO3 101035391 KRYMOQHTXYYTTK-VZCXRCSSSA-N 370.405 3.540 30 40 FHEB C#Cc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 22408977 GADJEBABMVIORE-UHFFFAOYSA-N 362.458 3.926 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1OC 12662835 MUCANVKTNMRAAI-GRSHGNNSSA-N 368.385 3.881 30 40 FHEB biogenic N#Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)nc3ccccc23)cc1 11183126 UQMNGPWTDDICBP-UHFFFAOYSA-N 371.444 3.740 30 40 FHEB COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 24992561 LYGGSXJVRAYJTF-GFCCVEGCSA-N 370.478 3.731 30 40 FHEB CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409089338 ISHZWMVJFOJOSW-SXGWCWSVSA-N 371.776 3.933 30 40 FHEB C=CCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O 12186504 RTKCZXNVGGJQIA-UHFFFAOYSA-N 374.419 3.796 30 40 FHEB C=CCOc1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)cc1 19319741 HTCSOHBABRIFJL-UHFFFAOYSA-N 368.521 3.749 30 40 FHEB biogenic C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1 3563085 SXRAEHYAICIIJA-NVXWUHKLSA-N 370.522 3.918 30 40 FHEB C=CCc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OC 31241173 WOJNUEFCBBXUMX-UHFFFAOYSA-N 355.434 3.550 30 40 FHEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 1306637 GHRPBQARUDVBKS-MRXNPFEDSA-N 372.218 3.938 30 40 FHEB Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 815149 JQCYQGKFYUOMHO-UHFFFAOYSA-N 362.176 3.506 30 40 FHEB COc1ccc(/N=C/C=C/Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100470355 LVZMPVOKQVLUMB-PBLMUUEVSA-N 372.337 3.848 30 40 FHEB C=CCNC(=S)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 12654266 KHICFKBOYPXIGR-UHFFFAOYSA-N 350.875 3.661 30 40 FHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(F)cc3)o1)[C@H]1C=C[C@H]2CC1 409145874 QIDGESSOIPMXSX-VPUWNLJISA-N 364.376 3.617 30 40 FHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2407546 XZGPEMLOEYIKMY-UHFFFAOYSA-N 371.375 3.609 30 40 FHEB CCN(C(=O)[C@H](C)N(C)C/C(O)=N/c1cccc(F)c1)C1CCCCC1 82071272 LKFBPJQPQADXBK-HNNXBMFYSA-N 363.477 3.915 30 40 FHEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 89420062 FSANAFYMWXPMME-WMLDXEAASA-N 370.836 3.659 30 40 FHEB Cc1ccc(-c2cnc3n2C[C@@]2(CCN(c4ccc(C#N)cn4)C2)C3)cc1 306144647 ZKWCMOPYYIZJDE-QFIPXVFZSA-N 355.445 3.578 30 40 FHEB COc1ccc(-c2nnsc2C(=O)Nc2ccc(CC#N)cc2)cc1 225887579 KLUPBCVNQKNIHY-UHFFFAOYSA-N 350.403 3.532 30 40 FHEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2ccc(F)cc2)c1N 225842906 DBXUVBDKNHOORL-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 19014298 YEFGLSZZTDXCCO-TYABSZSSSA-N 365.448 3.852 30 40 FHEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 5860904 OQQDJNIOYLDCOW-CQSZACIVSA-N 373.503 3.896 30 40 FHEB C=CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 101324176 TVZCJKOPJQLVLI-INIZCTEOSA-N 354.435 3.933 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@@H]2CC(=O)c3[nH]c4ccccc4c3C2)cc1 1722145 YYHFFDVPTQFQHC-AWEZNQCLSA-N 369.442 3.627 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102874316 QNKQKNXWQCIHQG-LFVOPCPISA-N 374.371 3.847 30 40 FHEB CCOC(=O)CSc1nc2c(cc1C#N)C[C@H](c1ccccc1)CC2 1009924 VIPVLYQQAYNTDE-OAHLLOKOSA-N 352.459 3.881 30 40 FHEB C=CCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2329470 SBNQCWIWXKCBPF-UHFFFAOYSA-N 371.444 3.689 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1c(F)cc(F)cc1Br 3348619 LOSUCCZOGLYPGY-UHFFFAOYSA-N 367.149 3.616 30 40 FHEB C=CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 4436268 CFDRRFHZZDGURP-KRWDZBQOSA-N 368.462 3.587 30 40 FHEB CC(C)c1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 9419108 WYWKEGLRXMLGKK-ZDLGFXPLSA-N 358.415 3.765 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)c(C)c1 409124626 LDRMRRJSQVVIGZ-LPYMAVHISA-N 356.397 3.508 30 40 FHEB COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-] 409041717 VIHDBCQORAZYOT-UHFFFAOYSA-N 369.373 3.731 30 40 FHEB CCCCSc1nnc(C(F)F)n1/N=C/c1ccc([N+](=O)[O-])cc1 36611869 BXVYHDNXJZRWOH-RQZCQDPDSA-N 355.370 3.898 30 40 FHEB Cc1ccc(Cn2nc(OCc3cccc(Cl)c3)c(C#N)c2N)cc1 225846180 GHPGZYSZSYVVFB-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB N#Cc1ccc2c(c1)N(C(=O)c1csc(C3CCCCC3)n1)CC(=O)N2 333343262 QBHFPUFNZSRBAF-UHFFFAOYSA-N 366.446 3.661 30 40 FHEB N=C1C(c2nc3ccccc3s2)=C(O)CN1/N=C/c1ccccc1O 102731117 MNACVOPBENBYIY-RICWVNQTSA-N 350.403 3.598 30 40 FHEB C=CCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 104213360 HUSVMZIKWFAXQK-KUDNYVPYSA-N 368.483 3.886 30 40 FHEB Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/Cc2cccnc2)cc1 27024482 RRBORWQZBCBSPO-BUVRLJJBSA-N 369.428 3.761 30 40 FHEB CC[C@H](/C(O)=N/S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1 48492966 OBSABJQLHRCZIG-HNNXBMFYSA-N 363.435 3.543 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)C[C@H](C(=O)O)c3ccccc3)c2C#N)C1 13255074 SBGIFQHBXFKOGP-DOMZBBRYSA-N 368.458 3.942 30 40 FHEB CN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)C1(C#N)CCCCC1 5455768 WWQRKHLQOZYXPC-UHFFFAOYSA-N 372.509 3.821 30 40 FHEB CCN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 70711149 SWBDEZLJESBKGY-UHFFFAOYSA-N 365.502 3.628 30 40 FHEB C=C(C)COc1cccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)c1 219786767 DUGJKKVVEIORJW-INIZCTEOSA-N 355.434 3.847 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218424711 MUIJAPLNNCMAGK-QHAWAJNXSA-N 369.486 3.735 30 40 FHEB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(CC#N)cc2)cc1 225456986 AGNXJBINFYZDDW-UHFFFAOYSA-N 361.474 3.733 30 40 FHEB N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 85474541 RUYYVWOYPZQGAX-QGZVFWFLSA-N 354.456 3.693 30 40 FHEB COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5322110 JJYHGVIIUKYWCJ-HRAATJIYSA-N 372.428 3.702 30 40 FHEB COc1cc(/C=C/C(=O)N2CC[C@H]3CCCC[C@@H]3C2)ccc1OCC#N 32986268 JQXRODWDWNUWKW-VGSQKHLPSA-N 354.450 3.649 30 40 FHEB CC(=O)c1ccccc1OCCO/N=C/C(=O)Nc1cccc(C)c1C 32957788 KOMVAIVYROYUSZ-FYJGNVAPSA-N 354.406 3.526 30 40 FHEB CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 53291891 RGBYFKNDVCJZEW-UHFFFAOYSA-N 366.531 3.676 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cc(Cl)ccc1O 18195908 PAWHINORFNPCMC-ZDUSSCGKSA-N 359.813 3.675 30 40 FHEB N#CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 5102501 KKJNJAFYAUZYAC-UHFFFAOYSA-N 372.306 3.633 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC=C(c2ccc(O)cc2)CC1 71871347 DQYMBFTYUCIZPT-UHFFFAOYSA-N 373.412 3.886 30 40 FHEB C=CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409036749 MBHPLFRKSQKOKZ-UYOCIXKTSA-N 374.256 3.974 30 40 FHEB N#Cc1c(-c2ccccc2F)nc2sc3nc4ccccc4nc3n2c1=O 33721319 YARBXNHDZQJKQF-UHFFFAOYSA-N 373.372 3.530 30 40 FHEB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@](C)(C#N)C1CC1 8231629 PRBBOKFVRPWQCE-GOSISDBHSA-N 374.897 3.735 30 40 FHEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1C1CCN2CC1 15008340 ITEXCOMDUKOIKN-DJKKODMXSA-N 354.391 3.682 30 40 FHEB C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccn1 19632817 ZKFVCFICTZUOGA-NCELDCMTSA-N 356.473 3.823 30 40 FHEB in-vitro COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2[nH]ccc2c1 32093741 AUNQZGLDAICRJL-IBGZPJMESA-N 364.445 3.945 30 40 FHEB N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 102144650 VIYPKSNZEJFFLQ-OAHLLOKOSA-N 366.442 3.689 30 40 FHEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nccs3)nc2c1 1354452 CTMWRBPXWCQJDU-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 46850431 BLIROEIGOQKXID-UHFFFAOYSA-N 372.428 3.566 30 40 FHEB Cc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 794760 UXRNKJBJGZCOQM-UHFFFAOYSA-N 363.373 3.775 30 40 FHEB CC(C)[C@H](NC(=O)CO/N=C/c1ccc(N(C)C)cc1)c1cccs1 10901919 RJPSTGXUIIEEKQ-GUBFPNNNSA-N 359.495 3.678 30 40 FHEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCC(C)C)cc1 6308043 FYTAGSDYCGSRMV-GOSISDBHSA-N 374.506 3.634 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)s1 9066152 ZSKGDYZMNXXHTK-UHFFFAOYSA-N 373.459 3.792 30 40 FHEB COc1ccc2c(c1)CC/C(=C\c1cc(OC)c(OC)cc1[N+](=O)[O-])C2=O 48276166 MCIGGSCIUOEXJN-MDWZMJQESA-N 369.373 3.833 30 40 FHEB COc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)c(OC)cc1Cl 44842802 HUZUAAGRRKBANS-AATRIKPKSA-N 361.781 3.894 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 140287146 IFMLUORTPRUNSU-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173675 URXFLOPQWGWCHW-RTBURBONSA-N 368.502 3.987 30 40 FHEB C=CCc1cc(CN(C)Cc2n[nH]c3c2CCCC3)cc(OC)c1OC 12143735 ODECKEBEPCRUPQ-UHFFFAOYSA-N 355.482 3.666 30 40 FHEB C=C(C)Cn1cnc2c(sc3nc(Cc4ccccc4)nc(C)c32)c1=O 12408687 SWRBSWJXPVBEJT-UHFFFAOYSA-N 362.458 3.877 30 40 FHEB COc1ccc(-c2nn(-c3nc4ccccc4o3)c(O)c2CCC#N)cc1 14607916 DHDHBCRCDJZQKZ-UHFFFAOYSA-N 360.373 3.851 30 40 FHEB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1 5866185 JBJPKTSNMVGEJF-QGZVFWFLSA-N 356.809 3.859 30 40 FHEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)C1 13815755 CFUSTWQYPPFZOG-YXWLDFQMSA-N 364.445 3.881 30 40 FHEB N#CCCN1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1 19891906 MJBKUIHTHAHIPU-UHFFFAOYSA-N 359.882 3.807 30 40 FHEB C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OCCC)c3)cc21 32593386 RXAFQGNHVWNUGK-UHFFFAOYSA-N 366.417 3.639 30 40 FHEB COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC 863136 ACOUXTNDPMCMPL-FQEVSTJZSA-N 368.433 3.764 30 40 FHEB Cn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc21 12538576 CRXSVLOBBCMKQV-UHFFFAOYSA-N 368.437 3.751 30 40 FHEB CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Br)cc1 1788885 RKOCFSXIYHRODC-UDWIEESQSA-N 370.250 3.994 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)CSc2ccc(C)c(C)c2)n1 9442953 JGQSSDHVKBQVLZ-HNNXBMFYSA-N 374.487 3.580 30 40 FHEB Cc1cc(C)n(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cn2)n1 176426856 DQESXGUIGANPAE-UHFFFAOYSA-N 365.824 3.686 30 40 FHEB COc1ccc(Cn2nc(OCc3cc(C)ccc3C)c(C#N)c2N)cc1 225848165 OMFXPIXWQOHKNY-UHFFFAOYSA-N 362.433 3.590 30 40 FHEB CC1(C)Cc2c(C#N)c(NCc3ccco3)nc(N3CCCC3)c2CO1 95479072 TXVZRUBTOQNEEL-UHFFFAOYSA-N 352.438 3.610 30 40 FHEB Cc1c(/C=N/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 16249062 ZCAFKUVDCHSRAN-UDWIEESQSA-N 370.250 3.998 30 40 FHEB C=CCOc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 100207524 LPHPEIFPJKJRKM-KRWDZBQOSA-N 360.365 3.615 30 40 FHEB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3C#N)csc2C1 2636641 UUMQKHJPKFUKLG-GFCCVEGCSA-N 354.431 3.540 30 40 FHEB O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccc2c(c1)OCO2 2647289 DLIWGZVHMQTPDE-UHFFFAOYSA-N 372.380 3.803 30 40 FHEB C[C@@H](c1ccccc1)S(=O)(=O)/N=C(\O)C[C@@H]1OCCc2ccccc21 77881239 GUQIYKFOIJLLKV-KSSFIOAISA-N 359.447 3.738 30 40 FHEB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)[C@](C)(N=C(C#N)C#N)O1 3058511 PTGYOVVYWIEVNT-FXAWDEMLSA-N 351.406 3.620 30 40 FHEB O=S(=O)(CCSc1ccc(Cl)cc1)OCC(F)(F)C(F)F 3037132 BSYPPXKSSYYYNO-UHFFFAOYSA-N 366.785 3.679 30 40 FHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 783747 HSZHPXQTCCYMID-HSZRJFAPSA-N 363.457 3.977 30 40 FHEB C=CC[C@H]1C(=S)SC(C(=O)OCC)=C1NC(=O)c1cccs1 109061430 HYVDYQZUPKWTKU-SECBINFHSA-N 353.490 3.519 30 40 FHEB C[C@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 17888402 YTMXFXCIRZRDAL-HWGJHUBPSA-N 374.481 3.939 30 40 FHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C#N)cc1 408913444 UQPCTMJJASYYNQ-JJFYIABZSA-N 360.377 3.715 30 40 FHEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409095318 HDUKHDCJFFMQER-YDZHTSKRSA-N 373.372 3.886 30 40 FHEB N#CCOc1cccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1 211509459 BXLGZPQBZOOFIX-WJDWOHSUSA-N 352.371 3.948 30 40 FHEB Cc1cc(N)nc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1 31745904 TTWIKDAERWFCGT-VVBXCHJUSA-N 368.506 3.728 30 40 FHEB COc1ccc2c(c1)C1(CC1)CN(/C(O)=N/[C@@H]1CCOc3ccccc31)C2 329503135 ANHSUPARXKEVOF-LJQANCHMSA-N 364.445 3.980 30 40 FHEB N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 5897548 LMIIDBUTDNKZTA-YIFBXAAPSA-N 370.474 3.740 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1 4828079 LUQLDFLHMKJIBH-UHFFFAOYSA-N 367.386 3.612 30 40 FHEB N#C[C@H](C(=O)c1ccnc(Cl)c1)c1nc(O)c2ccc(Cl)cc2n1 54430159 CAUBCEFQVNDQBR-LLVKDONJSA-N 359.172 3.527 30 40 FHEB CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 25230096 GFKWWIUSSIQTQY-OAHLLOKOSA-N 364.898 3.729 30 40 FHEB CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(C#N)c1C 12807453 MDSISSCWPSLZJU-ZDUSSCGKSA-N 372.446 3.819 30 40 FHEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2ccccc2)n1 12953912 SICJXNQFVSKHBI-UHFFFAOYSA-N 365.380 3.689 30 40 FHEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 39853939 BMZFOVGMSZZFDN-QOCHGBHMSA-N 352.434 3.896 30 40 FHEB CC(C)/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S1 18209121 WWPQKMOSPVDZSZ-VGTRTNLYSA-N 357.451 3.773 30 40 FHEB COc1cc(CN(C)c2ccc([N+](=O)[O-])cc2C#N)ccc1OC(F)F 5896770 PUNQDXRDXJBYMI-UHFFFAOYSA-N 363.320 3.713 30 40 FHEB COc1cc(C#N)ccc1OC(=O)Cc1csc(-c2ccc(F)cc2)n1 15355895 YALBNMWBWHDCNE-UHFFFAOYSA-N 368.389 3.978 30 40 FHEB Cc1ccc(OS(=O)(=O)Cc2cccc(C#N)c2)c(Br)c1 119618465 QCHUWWYXMLQZLY-UHFFFAOYSA-N 366.236 3.538 30 40 FHEB COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 72305036 IJAXEOFHPVWMIY-AZUAARDMSA-N 356.466 3.533 30 40 FHEB C=CCc1cc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1OC 223513847 RNLIEEUWCPNKBL-CQSZACIVSA-N 355.434 3.932 30 40 FHEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888464 LFYQEWPHXYBBHT-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB COC(=O)c1ccc(NC(=S)N/N=C/c2c(F)cccc2Cl)cc1 1086041 GVKMYOLBTJWBIZ-DJKKODMXSA-N 365.817 3.586 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Br)cc1 950989 XOUNBXYBUMMNBR-HNNXBMFYSA-N 373.254 3.699 30 40 FHEB C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/N=C/N(C)C)nn12 17995374 XXJZXWHJOWHGRD-CYGNYLSHSA-N 366.469 3.783 30 40 FHEB C=CCc1cc(/C=N/NC(=S)Nc2ccccc2)cc(OCC)c1O 1096988 HJROTKMQBXGMGU-DEDYPNTBSA-N 355.463 3.840 30 40 FHEB C=CCOc1ccc(CN(C)C(=O)NCc2ccccc2COC)cc1 26390740 IYHFZPRQCPGUPM-UHFFFAOYSA-N 354.450 3.739 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2c1ccccc1 3203688 VTKFROIUIDRZBK-IBGZPJMESA-N 363.373 3.873 30 40 FHEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966423 MRGFMPQIAONGEZ-UUYOSTAYSA-N 371.437 3.631 30 40 FHEB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(C#Cc2ccccc2)cc1 8718854 PCFXHONMBRPOOP-UHFFFAOYSA-N 365.436 3.935 30 40 FHEB COc1cccc(-n2cnnc2S[C@H](C#N)Cc2ccc(C)cc2)c1 6606966 VDGPMLRKWPAPTG-SFHVURJKSA-N 350.447 3.811 30 40 FHEB C=CCn1c(S[C@H]2CCCC[C@H]2O)nc2sc(C)c(C)c2c1=O 89565207 HNUDOOHXSFTJHO-OLZOCXBDSA-N 350.509 3.656 30 40 FHEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccccc3)o2)cc1 408772769 RASSPMRVKBAQGB-DEDYPNTBSA-N 354.431 3.817 30 40 FHEB CCOC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=O)[C@H]3CC[C@]12C 118931451 TUNNPNUOPZXPEB-DVBWKPSCSA-N 358.478 3.877 30 40 FHEB C=CCOc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 225730811 LFNUWRUZYGZFMJ-IRXDYDNUSA-N 361.555 3.906 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(Nc2ncnc3sccc23)C1=O 98050261 FKZLVSNJNCMOEZ-KRWDZBQOSA-N 361.471 3.689 30 40 FHEB CCn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 5569542 IPZUCBFTACTCKJ-VCHYOVAHSA-N 353.338 3.924 30 40 FHEB C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1 3420195 CTLXNLUSJCAMRD-UHFFFAOYSA-N 370.434 3.506 30 40 FHEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O 20504062 YEKOVBDKFFIYOR-VCRXTVNUSA-N 350.418 3.778 30 40 FHEB COC(C[C@@](C)(O)C#CC[C@](C)(O)/C=C\C1=C(C)CCCC1(C)C)OC 8614641 IJDJVBPHFBCKAX-OWEVAPSZSA-N 364.526 3.974 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 13881325 KLYOBAKCMUGBSF-XNTDXEJSSA-N 355.371 3.867 30 40 FHEB COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2cccs2)C1=O 4699820 WZXLVFLEMXWSLG-IBZGOXDYSA-N 358.444 3.568 30 40 FHEB N#Cc1ccc(OCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 8750700 PEVAHXYRYWRNRG-UHFFFAOYSA-N 364.445 3.514 30 40 FHEB C[C@H]1CCc2c(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)csc2C1 8669700 SZBGYCMZYPXQAR-AWEZNQCLSA-N 374.506 3.715 30 40 FHEB C=CCNC(=O)[C@@H]1Cc2cn(CC#CC)c3cccc(c23)[C@H](CC(C)C)N1 49171696 KHIWJYDTTKCKLT-PMACEKPBSA-N 363.505 3.568 30 40 FHEB biogenic,in-vitro O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4776967 MXECBZLIJPOJEN-FOIQADDNSA-N 360.392 3.833 30 40 FHEB COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccc(C)cc1)N(C)CC3)OCO2 6029539 MVDDOMAAIMLAQN-VULIGXMUSA-N 368.433 3.530 30 40 FHEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(N(C)C)cc2)cc1 1473626 WYDGWUZTZPVRID-UNOMPAQXSA-N 353.451 3.564 30 40 FHEB CN1C(=O)/C(=C\c2ccc3ncccc3c2)S/C1=N/c1nccs1 101500415 PJBRCJCPSCFPPR-TWLDDXCASA-N 352.444 3.925 30 40 FHEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc2ccccc2c1 104237982 JXIJHIBMMXWBIK-WOJGMQOQSA-N 359.341 3.879 30 40 FHEB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C#N)cc1 8779773 HYSUMPBXNSZESS-UHFFFAOYSA-N 363.339 3.661 30 40 FHEB C=CCn1c(N)c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc21 2291211 FZAYCHLKWGWQPY-UHFFFAOYSA-N 361.380 3.744 30 40 FHEB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 8429761 CSRGAPXQGRCWTE-OAQYLSRUSA-N 365.408 3.835 30 40 FHEB COc1ccccc1OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 65453442 CYROFGLYZLWCTH-AWEZNQCLSA-N 356.447 3.964 30 40 FHEB O=[N+]([O-])c1cccc(/C=N\c2cccc(I)c2)c1O 409120385 VLRPQRHRRMAEDA-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 331975886 MLEKGWKSKPMGMJ-UZLBHIALSA-N 356.466 3.523 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2c1 1223598 FYJJSHLNCMKTBD-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB O=C(/C(=C/c1cccnc1)c1nc2ccccc2[nH]c1=O)c1cccs1 9379020 VEDIQFHXTPSFKI-SDNWHVSQSA-N 359.410 3.803 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 58217016 USRIMHQSAIGJEG-LBPRGKRZSA-N 373.478 3.722 30 40 FHEB N#Cc1ccc(NCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 58357588 GBBUEILQRAYFOH-KRWDZBQOSA-N 362.458 3.944 30 40 FHEB N#Cc1ccccc1COc1ccc(/C=C2\SC(=S)NC2=O)cc1 2301460 JQQAVALNNZGRSV-SXGWCWSVSA-N 352.440 3.626 30 40 FHEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)Nc1ccc(Br)cc1 12861243 LMHOACYHMPGUKX-ANKZSMJWSA-N 363.177 3.952 30 40 FHEB O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(N2CCOCC2)cc1 6623583 OONCVHHRXKAVMD-AATRIKPKSA-N 373.865 3.782 30 40 FHEB C=CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1C 20797699 KYKJCMJWLIGNBG-UHFFFAOYSA-N 356.813 3.658 30 40 FHEB C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc2c(s1)CCC2 560590371 PBAFWGXHJWCOOL-CQSZACIVSA-N 352.507 3.823 30 40 FHEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2nc3ccccc3[nH]2)c1 1304820 UOEMFIPQZCWHTN-FRKPEAEDSA-N 361.155 3.690 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(OC(F)F)cc1 1460556 MMEFKIBXRKWHSL-HNNXBMFYSA-N 360.364 3.538 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(Cl)c21 100909852 GSTBFEKYZLRYOF-ZPHPHTNESA-N 371.805 3.639 30 40 FHEB COc1cc2c(cc1OC)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 18197215 WCPJBEKMEYORIC-FQEVSTJZSA-N 351.402 3.974 30 40 FHEB Cc1cc(/N=C(\O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)no1 1777284 JWQVUOSRUBYIOD-SECBINFHSA-N 372.143 3.766 30 40 FHEB CCOc1ccccc1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 104098988 IOURTKWCNCMRAN-BKUYFWCQSA-N 357.523 3.852 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10941378 ZSJIVQIYWCKMPN-LJQANCHMSA-N 354.479 3.654 30 40 FHEB O=C1/C(=C/c2cccc3c2OCO3)COc2c(Br)cccc21 63279297 RETIEMBCSMLFBF-YRNVUSSQSA-N 359.175 3.837 30 40 FHEB CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(NC(C)=O)cc1 6378144 UQKXLVXYBMAYCY-AVKKVVRXSA-N 364.474 3.978 30 40 FHEB C=CCOc1cccc(-c2nc(O)c3c4ccccc4c(=O)n(CC)n23)c1 14125194 FTGVBWSFHSXAON-UHFFFAOYSA-N 361.401 3.607 30 40 FHEB C=CCn1c(SCc2cn3cccc(C)c3n2)nc2sccc2c1=O 9157069 HPEONCDSQWWMMH-UHFFFAOYSA-N 368.487 3.892 30 40 FHEB N#CCCSc1ccccc1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O 95944766 QXFVZCKWCFWTTE-UHFFFAOYSA-N 367.352 3.652 30 40 FHEB O=[N+]([O-])c1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1 409068095 SRYAHOSFHKRPCE-CHHVJCJISA-N 366.127 3.722 30 40 FHEB C=CCc1cc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)ccc1OC 218656098 OAGJYHCPDQEOCU-HNNXBMFYSA-N 355.434 3.630 30 40 FHEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225855567 CQQNAFQTFWVQAZ-JLTOFOAXSA-N 358.438 3.798 30 40 FHEB C=CCc1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1O 19771663 ZGJGIMVEDNFZET-HAHDFKILSA-N 369.896 3.926 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1Cl 8508418 SFWMSHGLBZCSOV-AWEZNQCLSA-N 365.886 3.507 30 40 FHEB O=C(Cc1noc2ccccc12)NCC#Cc1cccc(C(F)(F)F)c1 32900402 VAMFRBCEWIGWDN-UHFFFAOYSA-N 358.319 3.557 30 40 FHEB N#Cc1ccc(COC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(F)c1 32903174 KZXKNIWQJYCWHZ-SFHVURJKSA-N 355.365 3.612 30 40 FHEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 6856405 KBERTYUDIRDXQH-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB CC(C)(C)N1C(=O)N/C(=N/Cc2ccccc2)[C@H]1NCc1ccccc1 57291962 ZJFQLYDQFBHPTP-IBGZPJMESA-N 350.466 3.525 30 40 FHEB COC(=O)c1ccc(C)c(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c1 59678269 VIUAHJMEFXSQTR-AWQFTUOYSA-N 361.781 3.649 30 40 FHEB COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CC2)C3)C1=O 54333096 YHKUWIZGZPXLDL-GRSHGNNSSA-N 363.413 3.934 30 40 FHEB biogenic O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)/C1=C(\O)c1ccccc1 102930594 LRFRHTIQYUDRBV-GROYHEBESA-N 365.410 3.963 30 40 FHEB N#Cc1ccccc1CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O 26779278 TXMUVNFLYOEKCD-UHFFFAOYSA-N 359.429 3.707 30 40 FHEB C[C@@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2F)CC1(Cl)Cl 3281231 LKWTYIXYLMCCJP-AWEZNQCLSA-N 374.268 3.531 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc(SCc3ccccc3)ns2)cc1 3334390 IKLNNBXQJYJKJO-UHFFFAOYSA-N 352.444 3.954 30 40 FHEB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c(OC)c1 11584553 JZJRFJSHEKVNQF-HXUWFJFHSA-N 364.445 3.872 30 40 FHEB COC(=O)/C=C1/S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O 4699807 IFPVESXDQQOKBN-RTFHHYCWSA-N 350.484 3.640 30 40 FHEB C[C@H]1C[C@@H](C)CN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 5554281 LSCGZJZKKAPTNP-KSZLIROESA-N 364.489 3.775 30 40 FHEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754883 KYRDIIDCWTUSGV-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225031923 JXIXXXZNTWHGTN-UHFFFAOYSA-N 370.789 3.769 30 40 FHEB N#Cc1ccc(OS(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c1 97593009 QBHHAXKDIJAQFD-UHFFFAOYSA-N 363.609 3.681 30 40 FHEB COc1ccc(Cl)cc1/C=C/C=N\NS(=O)(=O)c1ccc(C)cc1 8637482 ITYQUAAVXBAENZ-XIFPOUNDSA-N 364.854 3.635 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1[N+](=O)[O-] 59105784 LFSFAYMWIDRING-OQLLNIDSSA-N 373.365 3.634 30 40 FHEB COc1ccc(-c2nnc(SCc3ccccc3C#N)o2)c(OC)c1 7007502 BNUJLHCPDLBAPK-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB CC[C@@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409406153 QAUFDYNMHSPJKN-RUUSSUOPSA-N 372.852 3.658 30 40 FHEB N#C[C@H](C(=O)c1ccc(F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 46706936 FRXQWXGYNZAUKL-CYBMUJFWSA-N 367.405 3.905 30 40 FHEB CC[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)OC(C)C 21658756 NUJFKNRIQOCSNU-AWEZNQCLSA-N 357.435 3.543 30 40 FHEB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@H](OC(C)=O)[C@]3(C)C[C@H]3O[C@]231 4280505 RTQHUAHEQACVGY-MCSHHISBSA-N 370.445 3.520 30 40 FHEB C=CCNc1nnc(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)s1 8709099 PRDPBCGZDJRTGO-NSHDSACASA-N 367.500 3.722 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)n1ncnc1N2 950596 BGOOXLMVVWIKRI-OAQYLSRUSA-N 372.428 3.879 30 40 FHEB OC1=Nc2cc3c(cc2/C1=N/Nc1cccc(C(F)(F)F)c1)OCCO3 58627940 HBPZDYYNSMSIAT-UHFFFAOYSA-N 363.295 3.894 30 40 FHEB CCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 17440324 IENMGYRZNPOPQZ-UHFFFAOYSA-N 350.418 3.629 30 40 FHEB C[C@]1(Cc2cccc(Br)c2)CCCN1c1ccnc(C#N)n1 1559282644 AVWOIDVOWIXTBD-QGZVFWFLSA-N 357.255 3.712 30 40 FHEB C[C@@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 595538058 GPXUZOXTTXVHFE-CYBMUJFWSA-N 353.397 3.799 30 40 FHEB COc1ccccc1[C@@H](CNc1oc(-c2cccs2)nc1C#N)N(C)C 27562372 XVWSLNNBOBRFFQ-OAHLLOKOSA-N 368.462 3.998 30 40 FHEB N#Cc1nc(-c2cccc3ccccc23)oc1NCCCN1CCOCC1 20358270 ULSPWYRLYDGHTD-UHFFFAOYSA-N 362.433 3.501 30 40 FHEB CCN/C(S)=N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 1969099 SMQIBCDDNYKDHY-SRZZPIQSSA-N 361.442 3.643 30 40 FHEB N#Cc1ccsc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 25054956 NXBSYESKTWCRMG-UHFFFAOYSA-N 367.474 3.543 30 40 FHEB CC(=O)Nc1cccc(/N=C2\NN=C(c3c[nH]c4ccccc34)CS2)c1 26144979 MEHIUKUNRXGNFS-UHFFFAOYSA-N 363.446 3.855 30 40 FHEB Cc1nc2c([nH]c3ccc(Cl)cc32)c(=O)n1/N=C/c1cccc(F)c1 2345960 QVWIUPIJGIBJQQ-ZVBGSRNCSA-N 354.772 3.861 30 40 FHEB CSc1nc(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N 4325945 GOJAHAYZPGNOMU-UHFFFAOYSA-N 374.535 3.530 30 40 FHEB N#Cc1ccc(COC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 6585138 MXHSVOLTFNNRIE-UHFFFAOYSA-N 372.409 3.982 30 40 FHEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 33667179 GWKGJNDKCUCJBS-AUDIELBWSA-N 355.438 3.988 30 40 FHEB NC(=O)C(=NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 254758777 RFQVEEVSSMKERF-UHFFFAOYSA-N 364.352 3.617 30 40 FHEB CC1(C)OB([C@H]2CCN(C(=O)c3cccc(OC(F)F)c3)C2)OC1(C)C 1776007574 MGXDDNADEXZTTH-ZDUSSCGKSA-N 367.201 3.596 30 40 FHEB C=CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21 100874925 VNDYWOISNOYNQV-VZCXRCSSSA-N 357.479 3.855 30 40 FHEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3[nH]2)cc1 2619525 HKNBVBLQXSJOBT-UHFFFAOYSA-N 350.447 3.910 30 40 FHEB N#Cc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1 655878 BTTUKDIGJMGJBW-UHFFFAOYSA-N 363.274 3.728 30 40 FHEB COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)CC2)cc1 26144365 OSYVSONSKGGOKU-UHFFFAOYSA-N 354.402 3.995 30 40 FHEB FC(F)Oc1ccc(N/C(S)=N\C[C@@H]2COc3ccccc3O2)cc1 8685136 DQSUESGBYAWOHB-CYBMUJFWSA-N 366.389 3.826 30 40 FHEB Cc1c(Cl)cccc1OCc1ccc(/C=N/n2c(C)nnc2S)o1 36611115 NESAUSWLLMFFDF-QGMBQPNBSA-N 362.842 3.891 30 40 FHEB C=CCN(C(=O)Cc1ccc(OC)cc1OC)c1nc2c(s1)CCCC2 12801043 YYBIMOWQGFHMHF-UHFFFAOYSA-N 372.490 3.801 30 40 FHEB COc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N2CCCCC2)cc1 12901908 RYOPOAQQGLAIHI-OAQYLSRUSA-N 363.461 3.524 30 40 FHEB CCOc1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC 9455940 AUKNCSYXUHDANH-UHFFFAOYSA-N 360.797 3.636 30 40 FHEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1)C(=O)N2C1CSC1 223720987 CMRFVBKYCOGXLU-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224706094 WBEYFMXPQOFYOR-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB C[C@@H]1COc2ccccc2CN1/C(O)=N/CCc1nc2c(s1)CCCC2 329299525 LZWJMRPTKANACL-CQSZACIVSA-N 371.506 3.762 30 40 FHEB CCN(CCNC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 225793102 PSPOIVYHJDUWKG-UHFFFAOYSA-N 352.507 3.874 30 40 FHEB C[Si](C)(C)C#Cc1nc(C#C[Si](C)(C)C)nc(C#C[Si](C)(C)C)n1 196129290 VJRBNAFAIOIOKW-UHFFFAOYSA-N 369.693 3.558 30 40 FHEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1ccc(O)cc1 2266405 ZHWYYRMKYPRLLP-BKAYVGFPSA-N 358.488 3.964 30 40 FHEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccn1 15015628 BEGDHNXENGSYAE-LCYFTJDESA-N 360.236 3.736 30 40 FHEB C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 20676363 RKRWPKUQRRPRPF-SFHVURJKSA-N 374.366 3.536 30 40 FHEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/n1cnnc1 3251390 ZAYNKEIXRGPTGM-FOKLQQMPSA-N 362.368 3.586 30 40 FHEB CCOC(=O)c1ccc(N/N=C(/C#N)c2nc3ccccc3s2)cc1 26687089 LLEXNBXMNAGJKA-JCMHNJIXSA-N 350.403 3.813 30 40 FHEB COc1ccc(-c2cs/c(=N\N=C\c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 5360835 VPWZJASYEJZCGC-VCHYOVAHSA-N 354.391 3.595 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1 4600573 XKIRBAHQHVJJKK-VCHYOVAHSA-N 353.294 3.604 30 40 FHEB CC(C)c1nc(C#N)c(N/N=C/c2coc3ccc(Cl)cc3c2=O)o1 6633926 SSURSAARZQDJMH-IFRROFPPSA-N 356.769 3.875 30 40 FHEB Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 16973233 MLVSYYXRWQEPSU-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB Cc1ccccc1CS(=O)(=O)c1oc(-c2ccccc2C)nc1C#N 1775976381 LPEYPMOVXYDEIV-UHFFFAOYSA-N 352.415 3.804 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 2318138 ZMXZUQGYBSJGQZ-PBTUDLSPSA-N 371.437 3.688 30 40 FHEB CCCC(CCC)=N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccccc1 4482174 QRLXYCSVTFXCGI-ZJYNUGOYSA-N 361.467 3.922 30 40 FHEB Clc1cccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)c1 5862106 CSAMKEFXMCEIOG-UHFFFAOYSA-N 359.838 3.839 30 40 FHEB C=CCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 7274935 RUEFODZJGRRHJA-UHFFFAOYSA-N 363.255 3.707 30 40 FHEB C#CCN(Cn1c(-c2ccccn2)csc1=O)[C@@H]1CCc2ccccc21 68614296 DMIGBCZEJJLUSY-LJQANCHMSA-N 361.470 3.552 30 40 FHEB COc1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1C#N 97009632 MAQHMWPMXNVXPZ-KRWDZBQOSA-N 369.852 3.505 30 40 FHEB O=C(O)C(C(=O)/C=C/c1ccc2c(c1)OCO2)=C1SCCCCS1 976648 VGIQTUQZIRKCOT-HWKANZROSA-N 364.444 3.554 30 40 FHEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 226337485 NUOQDRORZNTXGA-YRNVUSSQSA-N 369.373 3.925 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1cccc2cccnc12 12389781 FLLBJRLLAYBILG-QGZVFWFLSA-N 361.405 3.840 30 40 FHEB COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1 62001279 YNBUSWJCQVHMAV-DJKKODMXSA-N 363.413 3.934 30 40 FHEB biogenic Cc1ccc(OCc2nnc(SCC#N)n2Cc2ccccc2)cc1 4130445 ODNQIGOZEPJCOB-UHFFFAOYSA-N 350.447 3.830 30 40 FHEB Cc1cc([C@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)nc(C)n1 41559783 SGAGUKMASHOXFD-INIZCTEOSA-N 362.458 3.939 30 40 FHEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@](C#N)(c1ccccc1)C2 751972 HKLVYGDGAFHARS-HXUWFJFHSA-N 368.458 3.833 30 40 FHEB O=C(O)COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196981 DSMNPHPMYZCOMW-UFWORHAWSA-N 353.205 3.581 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@@H](C)C2 12563091 IDVAYSIKTOZOQG-UONOGXRCSA-N 365.433 3.719 30 40 FHEB COc1ccccc1NC(=S)N/N=C/c1ccc(OC(F)F)cc1 3280792 PXGURRVPEQBHGG-VXLYETTFSA-N 351.378 3.617 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 2055402 TWJJATUTUQUXEW-IBGZPJMESA-N 367.445 3.725 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1 10524087 YMXYPVMOLHKUDX-JLHYYAGUSA-N 369.461 3.815 30 40 FHEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 18272418 UIIHVVYGKPUXLF-SFQUDFHCSA-N 352.390 3.729 30 40 FHEB C=CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 14138917 FONWVAWGDUIDDN-UHFFFAOYSA-N 352.415 3.900 30 40 FHEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409266362 QYWNZXLWPFOQDG-UKWGHVSLSA-N 362.813 3.791 30 40 FHEB COc1ccc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1OC 20452789 ZDCHHBRJCFZART-CYBMUJFWSA-N 356.447 3.889 30 40 FHEB C=CCN1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(c2ccccc2)C1=S 408730095 MZSJNKLHBRQFBB-NSMFRCMUSA-N 374.465 3.973 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)N/C(=N\C#N)N1 72467761 QYZBWXZEOFECTB-KRWDZBQOSA-N 350.809 3.568 30 40 FHEB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\Cc2c(O)cccc2C1=O 207056561 SJYNMCMGWWEEQW-SDNWHVSQSA-N 374.396 3.577 30 40 FHEB CCOC(=O)c1ccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)cc1 1092701 DYZGACAHZJGDKS-UHFFFAOYSA-N 361.401 3.637 30 40 FHEB C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccc(F)cc3)N2C1=O 1626634 JJOUVADKRBEFAF-QGHHPUGFSA-N 364.401 3.808 30 40 FHEB C=CCN(Cc1ccccc1F)C(=O)Cc1cc(OC)c(OC)c(OC)c1 58216955 NZNNRIDLMRPULB-UHFFFAOYSA-N 373.424 3.609 30 40 FHEB N#Cc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 14158544 NNTBOLDAYCLYCL-UHFFFAOYSA-N 373.378 3.535 30 40 FHEB COc1ccc(/N=C2\NN=C(c3c[nH]c4ccccc34)CS2)cc1OC 6786159 JXIGFRJLSMOSLQ-UHFFFAOYSA-N 366.446 3.913 30 40 FHEB Cc1nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)c(C#N)c(C)c1C 6980739 AOXULSSFHVWZQE-GOSISDBHSA-N 351.475 3.991 30 40 FHEB NN=C1c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 254017997 QBGMRRUHCFHZLC-HXUWFJFHSA-N 354.409 3.563 30 40 FHEB CN(c1nn(-c2ccc(Br)cc2)nc1C#N)C1CCCCC1 256047646 NRPZTNLLWFAOLE-UHFFFAOYSA-N 360.259 3.670 30 40 FHEB C[C@@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C1 5524597 NKEGAOUJCUCSFW-XTPAXOCXSA-N 356.491 3.800 30 40 FHEB C#CCOc1c(Cl)cc(C[C@H]2SC(=S)N(CC)C2=O)cc1Cl 6952973 GAVAPHFYCZFRKH-GFCCVEGCSA-N 374.314 3.797 30 40 FHEB COc1ccccc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N 12250981 CGCCCKUPLVEVTB-UHFFFAOYSA-N 365.414 3.953 30 40 FHEB COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 18197481 YKNOUAWKOIEGGD-HXUWFJFHSA-N 367.401 3.680 30 40 FHEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cccn1-c1ccc(C(=O)O)cc1 408943829 ZDLGZMHWDYQPCY-NDENLUEZSA-N 365.345 3.843 30 40 FHEB C=CCn1c(=O)c2ccccc2n2c(SCc3cccc(F)c3)nnc12 5277505 YIDABUXMTPWEMH-UHFFFAOYSA-N 366.421 3.662 30 40 FHEB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5305789 IFYMIRHDLBQXKN-NRFANRHFSA-N 365.408 3.835 30 40 FHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2cccs2)cc1 4906487 VMIZEFCDDTUMCL-IFUHEKCOSA-N 359.476 3.611 30 40 FHEB CN(C)c1ccc([N+]([O-])=Cc2ccc(Br)cc2[N+](=O)[O-])cc1 4235681 GUEMGAMTWVTTTQ-UHFFFAOYSA-N 364.199 3.684 30 40 FHEB C#CCOc1c(Br)cc(C(=S)N2CCCC2)cc1OCC 6155376 VYJLMBLSQPPDEB-UHFFFAOYSA-N 368.296 3.631 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 6654229 LUAOTVHKSNPFGF-GWCFXTLKSA-N 374.487 3.671 30 40 FHEB C=CCOc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1OC 8493592 QUPYEJIOZNQFJZ-UHFFFAOYSA-N 357.450 3.610 30 40 FHEB COc1ccc2c(c1)CC/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)C2=O 69780411 GVNDUOUWHSQUEX-NTUHNPAUSA-N 355.346 3.530 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914018 DLURJPMDGSFIIF-QJZOTDIVSA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro O=C1/C(=C/c2cccc(C(F)(F)F)c2)CS(=O)(=O)c2ccccc21 3368335 USNWKZVXAQTEEJ-XYOKQWHBSA-N 352.333 3.759 30 40 FHEB O=S(=O)(/N=C(\O)C[C@@H]1CCCCO1)c1cc(Cl)sc1Cl 88800742 ZFQUECHWAOXYHC-ZETCQYMHSA-N 358.268 3.659 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 39989298 CFWOGOFZPXNBRQ-LLVKDONJSA-N 353.444 3.751 30 40 FHEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2cccc(F)c2)c1N 225842140 DJDJNXBPMWBXFE-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB C=CCSc1nnc(NS(=O)(=O)c2c(C)cc(C)cc2C)s1 225657153 LJJYDIGPMVBOMZ-UHFFFAOYSA-N 355.510 3.542 30 40 FHEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[C@]32C 252444390 PUACAPLMOWEQJR-GQAVTEOGSA-N 359.813 3.793 30 40 FHEB N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 17075942 GOBRYYYVULIYOP-YIFBXAAPSA-N 370.474 3.740 30 40 FHEB CC(=O)Oc1cccc(/C=C\C(=O)/C=C\c2cccc(OC(C)=O)c2)c1 17312190 OJPWFWOOPYXQFI-HWAYABPNSA-N 350.370 3.833 30 40 FHEB O=C1C=C/C(=N/c2cc3c(cc2Br)-c2ccccc2C3=O)O1 17324524 ZEPWCMXKEBYHNG-CYVLTUHYSA-N 354.159 3.804 30 40 FHEB COc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 100215353 UIYVBFZCUPSHLN-NIPZQEADSA-N 368.414 3.627 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1 3276831 OKSFNMZZGILCOI-OAHLLOKOSA-N 357.822 3.630 30 40 FHEB in-vitro CCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 12632577 CRCCRNUOZFNDLE-UHFFFAOYSA-N 356.445 3.822 30 40 FHEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(F)cc1 26963011 YUYOCRHCQCVSFG-UHFFFAOYSA-N 371.408 3.519 30 40 FHEB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 12976612 LNAQTLDBZZJBTB-YWZLYKJASA-N 350.418 3.698 30 40 FHEB COc1ccccc1-n1c(N)c(C#N)c2c(c1=S)CO[C@H](C(C)C)C2 6719295 MDBBYDDJQPMODB-KRWDZBQOSA-N 355.463 3.767 30 40 FHEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccccc1 224677711 UMKYBIBPRBLSGX-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2CC3=C(CC(C)(C)CC3=O)NC2=O)cc1Cl 1740818105 BHYWNRXXOLZPMC-LBPRGKRZSA-N 374.868 3.756 30 40 FHEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)S1 5756127 MVPSOBAAIUTIJM-DHDCSXOGSA-N 355.375 3.500 30 40 FHEB C=CCn1nnnc1NCc1ccc(OCc2cccs2)c(OCC)c1 7602106 QMHNCALKXWPOMZ-UHFFFAOYSA-N 371.466 3.510 30 40 FHEB COc1ccc(N2CCN(c3oc(-c4ccc(C)cc4)nc3C#N)CC2)cc1 27019383 WTRPVVAPPUDICQ-UHFFFAOYSA-N 374.444 3.857 30 40 FHEB Cn1c(SCc2cc(C#N)ccc2F)nc2sc3c(c2c1=O)CCC3 11126484 IDLXZNOOLWALFE-UHFFFAOYSA-N 371.462 3.787 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 6580294 WJTVEUYJMSHZKG-UHFFFAOYSA-N 371.368 3.977 30 40 FHEB C=CCNc1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)s1 5784139 CJZRAAUUYSGZKX-LBPRGKRZSA-N 352.529 3.623 30 40 FHEB CCCNC(=O)CO/N=C(\C)c1ccc(OCc2cccc(C)c2)cc1 96257548 NQVKXSVRINIPMF-HAVVHWLPSA-N 354.450 3.841 30 40 FHEB C#CCOc1ccc2ccccc2c1/C=N/NCc1ccc(OC)c(OC)c1 20196075 HEVXOIWABVDOBZ-PCLIKHOPSA-N 374.440 3.993 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1Cc1cccc(F)c1 97491926 WQLHMHGAEYKJJY-SFHVURJKSA-N 371.843 3.996 30 40 FHEB N#CC[C@@H]1CCCN(Cc2cccc(CN3CCC[C@H](CC#N)C3)c2)C1 595620025 JVBKLGOOKJNBAV-BGYRXZFFSA-N 350.510 3.938 30 40 FHEB CCSc1nc(-c2cccc(Br)c2)c(C#N)c(=O)n1CC 12413631 OHYOVZREFDXOOY-UHFFFAOYSA-N 364.268 3.676 30 40 FHEB Cc1nc(C(N)=S)sc1C(=O)/C=C/c1c(O)ccc2ccccc12 16957615 ILTPMWGMFDQXJA-VQHVLOKHSA-N 354.456 3.841 30 40 FHEB C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=S 13784964 QOKWIQSEDSAWGC-WQLSENKSSA-N 370.293 3.845 30 40 FHEB O=C(/C=C/c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccccc1 100508868 RKZOLUFQUQJXJG-GXJVKSPQSA-N 369.420 3.894 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 102946355 JEBCQVDHSQWJAC-KLKIZMIFSA-N 357.282 3.522 30 40 FHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3)o1)[C@H]1C=C[C@H]2C1 104570970 YMYQKNCRYXTGEQ-BBMQJAGTSA-N 366.804 3.741 30 40 FHEB CCOc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)c1 22608411 INFHUAROCBCSFN-DIFFPNOSSA-N 370.478 3.667 30 40 FHEB O=C1CSC(=S)N1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409351198 ZDZPQHASBLRBPP-DJKKODMXSA-N 360.435 3.599 30 40 FHEB CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 12797045 INLUWLFHKGZOAN-LBPRGKRZSA-N 358.442 3.786 30 40 FHEB Sc1nnc(-c2ccco2)n1/N=C/c1cc(Br)cs1 8340085 SKLFIRIVXJYTKD-WLRTZDKTSA-N 355.242 3.533 30 40 FHEB CSc1nc2n(n1)[C@H](c1ccccc1C)C1=C(CC(C)(C)CC1=O)N2 4436302 IJJJXRACWZTZNT-MRXNPFEDSA-N 354.479 3.967 30 40 FHEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408939073 LPLVWYFYHVUOJH-ZDLGFXPLSA-N 374.740 3.614 30 40 FHEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7837312 QTQUUQOEJYLHBZ-MNOVXSKESA-N 363.508 3.706 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677383 ZJSANGBKBUMBNC-UHFFFAOYSA-N 365.389 3.926 30 40 FHEB CC(C)c1nc(N/N=C/c2ccc(Br)cc2)cc(N(C)C)n1 5849628 LCHFZETUHCICAV-VCHYOVAHSA-N 362.275 3.875 30 40 FHEB Cc1ccc(N/C(=N\OCc2ccc(Cl)cc2)c2nonc2N)cc1 15161917 FHFXKBBRTFZGNR-UHFFFAOYSA-N 357.801 3.604 30 40 FHEB Clc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2Cl)CC1 17422634 CGFZMCHSQQTWHJ-VOKWCDJLSA-N 361.276 3.979 30 40 FHEB CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CCC2 1798775 DLXCWHRBVRNYAP-GIJQJNRQSA-N 360.391 3.778 30 40 FHEB N#Cc1cc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)n2n1 2796750 SDROMKJQFLUPNL-UHFFFAOYSA-N 354.238 3.888 30 40 FHEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)cs3)nc2c1 4849005 GNKHOSAJPOFSCJ-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)c(C)c3)C2=O)s1 6564833 MWUIWOVSRIFDSO-HFENLWAASA-N 359.476 3.835 30 40 FHEB Cc1ccc(CCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1Cl 10739914 JHECSMMHESIYPA-UHFFFAOYSA-N 356.809 3.635 30 40 FHEB C#CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 47406002 FQEQAMANRUGHQP-HXUWFJFHSA-N 364.401 3.584 30 40 FHEB CCCCCCCCSCCOC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161914 KNFNYSLYXVWHQC-XUWVNRHRSA-N 358.500 3.502 30 40 FHEB COc1ccccc1[C@H](CNc1oc(-c2ccco2)nc1C#N)N(C)C 27664459 JJGKNXIAIHTLSN-HNNXBMFYSA-N 352.394 3.530 30 40 FHEB C=CCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2386260 LUGQEZDAYPDTOR-UHFFFAOYSA-N 350.422 3.842 30 40 FHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1 5124052 SPSBSBSUQXNRJA-SDLXJUDFSA-N 367.474 3.558 30 40 FHEB Cc1sc2ncnc(N/N=C3/C(O)=Nc4ccc([N+](=O)[O-])cc43)c2c1C 6598783 KCNGZAMIAMCEEZ-UHFFFAOYSA-N 368.378 3.634 30 40 FHEB C=CCn1c(SCc2cn3cccc(C)c3n2)nc2ccsc2c1=O 9366949 DRFQAENNGZZXBK-UHFFFAOYSA-N 368.487 3.892 30 40 FHEB N#Cc1ccc(N2CC[C@@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cc1 84383917 PNXZNCJNLQKUAZ-CQSZACIVSA-N 363.364 3.870 30 40 FHEB N#Cc1c(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc2cc(Cl)ccn12 553213129 MPRLTHPZKGBSGI-BONVTDFDSA-N 372.778 3.755 30 40 FHEB Cc1ccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)c(C)c1 225842973 RUEZNNAUEFATOQ-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 7189314 CHKWGKJJMXJJNG-UHFFFAOYSA-N 365.433 3.575 30 40 FHEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 9140955 BXKAVPHHUFBIBA-UHFFFAOYSA-N 359.476 3.680 30 40 FHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 408589019 KJCPPUWEQMAVOS-YHZUESMJSA-N 373.456 3.544 30 40 FHEB CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 5407905 NFRUHTOHIIBVSA-HXUWFJFHSA-N 350.418 3.847 30 40 FHEB C=CCSc1nc(N2CCOCC2)c2sc3nc(C)cc(C)c3c2n1 5697951 PQVCZMSHYHXLJU-UHFFFAOYSA-N 372.519 3.971 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3C)S2)cc1C 7883371 JFAGSQYWUFROHH-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB C=CCNC(=O)CSc1nnc(Nc2ccccc2C(F)(F)F)s1 9221079 NYCLAHUHDHPXQX-UHFFFAOYSA-N 374.413 3.695 30 40 FHEB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1C#N 8130944 LVWJNDVHAOMLEH-CQSZACIVSA-N 355.413 3.555 30 40 FHEB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1C 8265557 OCGKCBSBFIUNNO-OAHLLOKOSA-N 367.836 3.820 30 40 FHEB N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccccn2)sc2c1CCC2 72311932 DKBNABOWUOTFQW-QGZVFWFLSA-N 366.490 3.669 30 40 FHEB Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 55771889 YQCDYZZZDIXEDZ-UHFFFAOYSA-N 374.400 3.597 30 40 FHEB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sccc1C#N 57392144 IAKGDFGLUYGVQT-LLVKDONJSA-N 356.476 3.861 30 40 FHEB CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC#N)c2)o1 13483737 XILAZLGCJPQEPA-LCYFTJDESA-N 370.748 3.596 30 40 FHEB O=C(/C=C/c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccccc1 4610462 RKZOLUFQUQJXJG-FYTYKKFISA-N 369.420 3.894 30 40 FHEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1 4851935 OLUPUIRSFHXFBF-UHFFFAOYSA-N 368.462 3.538 30 40 FHEB C[C@]12OC(=N)[C@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 102676078 MYHXPTPDSAEKDZ-IKLNAOFOSA-N 368.396 3.809 30 40 FHEB COc1ccc(-c2cc3ncn(C[C@@H](C#N)CCC#N)c(=O)c3s2)cc1 13003715 DLCQYZJAYSDVEV-CYBMUJFWSA-N 364.430 3.577 30 40 FHEB C=CCOc1cccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)c1 3999957 UFANDRWZJOAHAT-OTOIZHKDSA-N 360.457 3.889 30 40 FHEB biogenic C=C(C)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 5362789 CALPDIUZXROQBY-UHFFFAOYSA-N 362.458 3.761 30 40 FHEB N#CC1(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)CCCC1 14141755 PANDDZMPOTUJED-SFHVURJKSA-N 357.454 3.519 30 40 FHEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc(OC)c1OC 4921614 YLXONKUYGYVVMO-DJKKODMXSA-N 364.785 3.510 30 40 FHEB C=CCc1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1 15594590 FGNPMLJXAAKCRC-UHFFFAOYSA-N 352.390 3.891 30 40 FHEB Cc1cc(N)nc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1 31745907 TTWIKDAERWFCGT-HNEYUBDGSA-N 368.506 3.728 30 40 FHEB N#CCc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225423678 BQWMWTKOXDAQJO-UHFFFAOYSA-N 350.491 3.839 30 40 FHEB CC(C)c1nc2ccccc2n1C1CN(c2nc3c(cc2C#N)CCC3)C1 1888897469 BTDMIDCAYMZXEJ-UHFFFAOYSA-N 357.461 3.976 30 40 FHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 78549861 DPJCTGLYQYCOPQ-IBGZPJMESA-N 365.429 3.692 30 40 FHEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5306490 OCYJNRBKNOXALJ-BTYIYWSLSA-N 372.428 3.702 30 40 FHEB CN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(C(=O)O)cc1 100931254 WRENRYNNQSEOTG-DOOOOMTHSA-N 356.378 3.758 30 40 FHEB N#Cc1c(F)cccc1NCCNC(=O)Nc1ccccc1C(F)(F)F 47698763 PFBSEISTKOENEQ-UHFFFAOYSA-N 366.318 3.950 30 40 FHEB CC/N=C1/S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC 100203559 OFCBPLWNYGMSQV-JIUKNFRESA-N 374.293 3.662 30 40 FHEB CC(=O)N(c1ccccc1)c1nc(COC(=O)C2(C#N)CCCC2)cs1 12796451 RRGVLBRGAANMAN-UHFFFAOYSA-N 369.446 3.955 30 40 FHEB Cc1ccccc1OCCC(=O)NCCSCc1ccccc1C#N 7649067 UQWLNVGRLRHWQU-UHFFFAOYSA-N 354.475 3.685 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(F)c1 11228208 IMJICNJJDVLNJN-UHFFFAOYSA-N 355.325 3.537 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccs2)no1 13208639 IIXWBMIYCIZVFB-OAHLLOKOSA-N 370.386 3.729 30 40 FHEB CC(C)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5155965 HTISCYWWNBKWOY-VGOFMYFVSA-N 357.475 3.956 30 40 FHEB CC(/N=N/c1cccc(S(=O)(=O)O)c1)=N\Nc1nc2ccccc2o1 4936094 HGOAONCFDNMIQY-PLZFDSBDSA-N 359.367 3.604 30 40 FHEB CCOC(=O)c1ccccc1N/C(=C\C(=O)C(F)(F)F)c1ccncc1 408739004 RCOXIOXGTYTWLF-PTNGSMBKSA-N 364.323 3.843 30 40 FHEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409078528 INYXGIZNGUAICQ-NVNXTCNLSA-N 371.776 3.933 30 40 FHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1 225665928 BDZVSWXPAQYQSM-FHWLQOOXSA-N 373.861 3.551 30 40 FHEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 44085672 OZTFYAZALFUPNL-UHFFFAOYSA-N 356.476 3.923 30 40 FHEB CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cc(C)cc(Br)c1O2 100490117 PCHZSZZJWNDIIA-HNNXBMFYSA-N 352.184 3.551 30 40 FHEB N#Cc1c2c(c(N/N=C\c3cccnc3)n3c1nc1ccccc13)CCC2 103677041 KJBLJBMVZJJINK-CFRMEGHHSA-N 352.401 3.689 30 40 FHEB CCCCn1c(-c2ccc(OC)cc2)nn(CN(C)CCC#N)c1=S 23508421 DNVIPLXGUUFGAS-UHFFFAOYSA-N 359.499 3.693 30 40 FHEB CN(/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 104750870 IYTNMNAZVDVEBJ-MRCUWXFGSA-N 350.443 3.959 30 40 FHEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 3408591 NZFATVJPWQHVFG-UHFFFAOYSA-N 350.462 3.811 30 40 FHEB NC(=S)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 4477650 FAWSGNHDGIXBFF-BKUYFWCQSA-N 367.261 3.686 30 40 FHEB Cc1ccc(C)c(/C=N/N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1 6602499 XBGHAAZOYJCASO-SSDVNMTOSA-N 373.368 3.995 30 40 FHEB CCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 408709422 SPUJRBUKYRBKOC-UHFFFAOYSA-N 355.276 3.783 30 40 FHEB CCOc1cc(C)c(C=Nn2c(O)nc3ccccc3c2=O)cc1C(C)C 409354822 ANNCWIIAUBNMJP-UHFFFAOYSA-N 365.433 3.815 30 40 FHEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1ccccc1 223664850 QXASYZZZJYWRQE-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB C/C(=N/NC(=S)Nc1ccc(C(=O)O)cc1)c1nccc2ccccc12 5502899 YYQXMTRONLGVMZ-UUYOSTAYSA-N 364.430 3.644 30 40 FHEB N#Cc1c(COC(=O)CCc2cnn(-c3ccccc3)c2)cn2ccccc12 32899096 XNTSCCCAXWGBBE-UHFFFAOYSA-N 370.412 3.673 30 40 FHEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C2 1120885 BSUPBEZJWQANHP-QVKFZJNVSA-N 371.433 3.581 30 40 FHEB CN(N=C1CCCCC1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 1105931 AQGLOTPPXRUSHT-UHFFFAOYSA-N 371.533 3.609 30 40 FHEB O=[N+]([O-])c1ccc(Cl)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 100480927 QMNOTHHNKFKMOR-CHHVJCJISA-N 365.689 3.511 30 40 FHEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCCCC1 12538886 OOMINCFODJLFCB-HNNXBMFYSA-N 356.495 3.833 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 3369164 VACWPJSXKPPLPL-UHFFFAOYSA-N 356.816 3.630 30 40 FHEB Cc1c(CNC2CCN(Cc3ccc(Cl)cc3)CC2)cc(C#N)n1C 48363721 QRIKRMGBYPQYNS-UHFFFAOYSA-N 356.901 3.613 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12945298 SOIKVEQXPMEJCL-LLVKDONJSA-N 366.333 3.665 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2C)c1C#N 409179448 NWIGCINYTAZLRY-UHFFFAOYSA-N 359.426 3.586 30 40 FHEB C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2C)S1)c1ccc(F)cc1 13562892 ONIVPHNPHLIJKT-KOWBDXASSA-N 355.438 3.688 30 40 FHEB CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1 4474026 ZDXQEIPLCWLEPL-XAIYEJPOSA-N 373.865 3.930 30 40 FHEB N#Cc1ccccc1COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1 408913147 SUBFXAYMYBZOLW-FMCGGJTJSA-N 373.372 3.886 30 40 FHEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccc(F)cc2)c1 409346815 OBLNDSUGYUKWIN-OCKHKDLRSA-N 360.435 3.599 30 40 FHEB Cc1ccc(C(=O)O/N=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 1211474 ATPXUJLCJRGTIH-ZBJSNUHESA-N 361.357 3.908 30 40 FHEB Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)OC(C)(C)C)CC2)cc1 15021251 SVBOYWVVBMKJDS-UHFFFAOYSA-N 369.483 3.536 30 40 FHEB CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(Cl)cc1 7553989 ZWTORHRKAVAARI-INIZCTEOSA-N 360.841 3.998 30 40 FHEB C=CCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 55008632 OQRSBBJNIVYZEA-UHFFFAOYSA-N 356.853 3.650 30 40 FHEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 102648738 YDKMEFRPSLHLIM-CHHVJCJISA-N 366.127 3.722 30 40 FHEB COC(=O)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 118931299 LTWLPBOTJIWDPF-OVMLJTRSSA-N 374.477 3.603 30 40 FHEB N#C[C@@H](C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 48824428 NOSVYZOUVBPZBQ-BBRMVZONSA-N 365.389 3.805 30 40 FHEB COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1 7350076 MCYFCTNBCPPUHX-PKNBQFBNSA-N 351.402 3.727 30 40 FHEB O=C1CCc2cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)ccc2N1 23881867 AIALQVZQVHXCCH-UHFFFAOYSA-N 367.408 3.618 30 40 FHEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225855580 CQQNAFQTFWVQAZ-XOBRGWDASA-N 358.438 3.798 30 40 FHEB CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)S/C1=N/c1nccs1 97514724 DXXRXNIMGVBNFY-YQVRAYJVSA-N 355.444 3.696 30 40 FHEB COc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCC[C@H]3C#N)c2)cn1 619806260 UIQITQPGGMIDAI-DOTOQJQBSA-N 350.422 3.879 30 40 FHEB CCC(=O)N1c2ccc(C(=O)C[n+]3ccc4ccccc4c3)cc2C[C@@H]1C 5000293 WVLBHWGBEZZYTF-INIZCTEOSA-N 359.449 3.698 30 40 FHEB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)c1 5434665 USTYHHZYSOQYDE-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)cc4Cl)CC3=O)[nH]c2c1 5182830 SPQOHUPKEDWJGR-UHFFFAOYSA-N 373.243 3.895 30 40 FHEB Cc1ccc([C@](O)(CCNc2ccc([N+](=O)[O-])cc2C#N)C(F)(F)F)o1 12731857 PAQGAPMGZDJNRH-OAHLLOKOSA-N 369.299 3.620 30 40 FHEB CN(Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 12864949 QLVBIAQQOPHQOC-LCLYZWHDSA-N 369.505 3.645 30 40 FHEB biogenic CCC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1 64305968 XVBHWJDXQITZSL-DARPEHSRSA-N 361.445 3.747 30 40 FHEB CC/N=C1/S/C(=C/c2cc(OC)c(OC)cc2Cl)C(=O)N1CC 408931929 SELGMQRQVGAZPY-XUVFPMAOSA-N 354.859 3.669 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3cccc(F)c3)c2C#N)C1 7843510 CBENMFNZWVOQGJ-ZDUSSCGKSA-N 371.481 3.954 30 40 FHEB CC(=O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408965246 UZHJOFRLPYCSJX-RQZCQDPDSA-N 365.170 3.950 30 40 FHEB C=CCn1c(CCCCCCC)nnc1SCC(=O)NC(C)(C)C 408561011 UQNKYLOPSQPTQQ-UHFFFAOYSA-N 352.548 3.984 30 40 FHEB O=C(OC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccncc1 4273477 QARFFPMLXIZYSR-UHFFFAOYSA-N 355.349 3.729 30 40 FHEB biogenic CCOC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)s1 575361892 QLTADRYIQMXYOX-UHFFFAOYSA-N 352.227 3.940 30 40 FHEB C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 5018162 SEFHOFUGFNMVAZ-UHFFFAOYSA-N 371.359 3.696 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 16280611 SWENQGFFXLOGNA-FMIVXFBMSA-N 362.473 3.922 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C#N)C1 9521377 DMCPPOXPHGZSES-LLVKDONJSA-N 354.431 3.654 30 40 FHEB CCC/C(Nc1ccc(OC)cc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100162994 DOVKOPOVJWJYHP-SOBQPUOHSA-N 373.449 3.519 30 40 FHEB CCn1c(=O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c2ccccc21 100192694 PFXVQHKQXNRREN-SDNWHVSQSA-N 362.429 3.689 30 40 FHEB COC(=O)Cn1/c(=N/N=C(/C)c2ccc(C)cc2)sc2ccccc21 8652625 GMZIFRCYPITMIO-PYKWNVJZSA-N 353.447 3.509 30 40 FHEB CCN(CCC#N)c1ccc(CN[C@@H](C)[C@H](O)c2ccc(O)cc2)c(C)c1 8747047 ZFCFQLJCPKEUQI-JTSKRJEESA-N 367.493 3.652 30 40 FHEB N#CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 23150410 PJWQTWVIFKOKET-UHFFFAOYSA-N 351.189 3.913 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100727367 YEFGLSZZTDXCCO-SFTDATJTSA-N 365.448 3.852 30 40 FHEB CN(C)N1C(=O)C[C@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O 1430120 OPOMNMKPKBTHEG-DLBZAZTESA-N 366.486 3.941 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)COCc2ccccc2Cl)c1 48472380 KAFSSCRRRQUVHZ-UHFFFAOYSA-N 367.854 3.819 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cccc(C)c1 8774561 GTVOLGGQEYXVAV-HNNXBMFYSA-N 370.522 3.979 30 40 FHEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 14186637 WHDCPPVKWQVRHF-ZYHUDNBSSA-N 359.779 3.813 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Sc2ccccc2)cc1 409405849 IHOUSHJTIXDTRI-CPLUKWAASA-N 374.465 3.979 30 40 FHEB CC(C(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F 3188793 TZUSNVVSSFARCA-UHFFFAOYSA-N 361.189 3.626 30 40 FHEB biogenic O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCCOc1ccccc1 46084893 QCFYINVLQBCJAT-HKWRFOASSA-N 365.216 3.987 30 40 FHEB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(CC#N)cc1 225739784 BHUYPDRGRDXGCP-INIZCTEOSA-N 364.518 3.880 30 40 FHEB O=Cc1ccccc1OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 95117262 QPXVHDAQAUALSG-KRWDZBQOSA-N 373.408 3.688 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 16684092 UTRLMTGJNIHBIM-WJDWOHSUSA-N 369.402 3.885 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)c(OC)c1 7275305 LCDYHKZBSOUHJL-SXGWCWSVSA-N 358.394 3.735 30 40 FHEB CS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4518029 RINWDWHTNAJVDK-UHFFFAOYSA-N 374.487 3.544 30 40 FHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1CCCCCCC1 79179654 PXURASQMEQXREB-UHFFFAOYSA-N 367.497 3.627 30 40 FHEB CCCCOC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2)n1 21658753 IXYRMKKRSKTSKQ-LBPRGKRZSA-N 357.435 3.545 30 40 FHEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OC 679979 BFIUAKPLHHKFTM-UHFFFAOYSA-N 367.445 3.795 30 40 FHEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC2)cc1Cl 47565539 LXDLCHCZBQBEBV-QGZVFWFLSA-N 355.825 3.860 30 40 FHEB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 58420556 XEIKELJOIOQRIF-IBGZPJMESA-N 362.408 3.942 30 40 FHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1 14141296 LMDDOKMTCNFXFR-SFHVURJKSA-N 357.816 3.502 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccccc1Cl 7674073 FILKACYGFXEBOX-ZDUSSCGKSA-N 358.825 3.754 30 40 FHEB C=CCOc1ccccc1CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 532100015 SQNLLSPKCMEYQV-JOCHJYFZSA-N 366.461 3.709 30 40 FHEB N#Cc1ccnc(OC[C@@H]2CCCN(Cc3csc(C4CC4)n3)C2)c1 1776001550 ZMWUOVCKELISJE-OAHLLOKOSA-N 354.479 3.578 30 40 FHEB N#Cc1cccnc1Oc1ccccc1NCC(=O)N1CCCCCCC1 55844390 NSRADUIWLBJIIS-UHFFFAOYSA-N 364.449 3.950 30 40 FHEB O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1 100692004 APDXYUBTVFWGGC-XDHOZWIPSA-N 372.837 3.681 30 40 FHEB CCc1ccc(CN(C)CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1 29696391 WLJPKRXNRHGDRO-IBGZPJMESA-N 370.456 3.918 30 40 FHEB CC/C(=N\c1ccc(OC)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O 102537576 KCWCTPCUJBQCRS-JPOGYNCRSA-N 359.422 3.778 30 40 FHEB CCOc1ccc2nc(NC(=O)COc3ccc(C#N)cc3)sc2c1 3221644 XUWBSLXEUMVYHO-UHFFFAOYSA-N 353.403 3.584 30 40 FHEB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CCC#N 8710184 OSJRGHAKZWVSSI-OAHLLOKOSA-N 356.495 3.833 30 40 FHEB C=C(Br)CSc1nnc([C@@H]2COc3ccccc3O2)o1 48834186 GBIJIAZNYSADSH-NSHDSACASA-N 355.213 3.583 30 40 FHEB Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccccc2)NC2CCCC2)n1 5175869 GRNMYURASJMHRO-UHFFFAOYSA-N 352.442 3.626 30 40 FHEB CC(=O)N[C@H](CC(=O)Nc1ccccc1SCCC#N)c1cccs1 95953483 MPYHDMIZAFRYFE-OAHLLOKOSA-N 373.503 3.960 30 40 FHEB COc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)ccc1O 408564276 XVBUMCCOMGXWOB-JXMROGBWSA-N 356.321 3.860 30 40 FHEB COc1ccccc1/C=C1/Oc2c(CN3CCCC3)c(O)cc(C)c2C1=O 37857502 GKKHQRIMMUTCDA-XDHOZWIPSA-N 365.429 3.921 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCSCc1ccco1 39978466 BADXPVIDTJWHIU-UHFFFAOYSA-N 355.419 3.507 30 40 FHEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccccn3)n2)cn1 585295227 QUJISAPOCNPTHQ-HXUWFJFHSA-N 356.433 3.824 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 5725620 BUFIZIKZFCQXPW-OVTCNUJSSA-N 358.463 3.574 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 14165004 KRCXDGREQPWMQR-ZUZCIYMTSA-N 362.355 3.873 30 40 FHEB COC(=O)Cn1/c(=N\N=C(/C)c2ccc(C)cc2)sc2ccccc21 5553147 GMZIFRCYPITMIO-UCUGPLMPSA-N 353.447 3.509 30 40 FHEB N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 75165903 OITVSGONONODKR-MOPGFXCFSA-N 363.417 3.848 30 40 FHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 3899953 UGGJJIHJCXHAPQ-LOHFZDIYSA-N 356.381 3.662 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718516 PYVQOYISMNIISI-GFCCVEGCSA-N 374.227 3.857 30 40 FHEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C 108013924 KSNMWZSXRYTTPE-HYARGMPZSA-N 371.554 3.758 30 40 FHEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OC(C)C 409091063 SSFOIEDDFUTSCF-DJKKODMXSA-N 364.789 3.885 30 40 FHEB COc1ccc([C@H]2C[C@@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 4114498 QRSLYQPONMQITO-OBNJBMLMSA-N 370.445 3.510 30 40 FHEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(Cl)cc2)cc1 5047436 CIVRNMYXOVAYKK-MQIUFUGCSA-N 373.865 3.814 30 40 FHEB N#C[C@@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 5100307 YEXBJCKLEBUEBF-QGZVFWFLSA-N 372.428 3.581 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19227841 LMZJTHGBXDKALU-GOSISDBHSA-N 354.450 3.637 30 40 FHEB CC(C)N1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4724202 DNNMAEWTCWBBTQ-PCYTUBISSA-N 361.441 3.858 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccco3)nn1[C@H]2c1cccnc1 28629136 GBJQGWBOXOVAJG-KRWDZBQOSA-N 361.405 3.591 30 40 FHEB OC(CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)=Nc1ccc(Cl)cn1 329078924 QQKFKAMBQNOYIB-KURKYZTESA-N 371.868 3.828 30 40 FHEB O=C1Nc2ccc(-c3ccccc3)cc2/C1=N\Nc1ccc(C(=O)O)cc1 43903290 XPORTNVWNYQKDB-UHFFFAOYSA-N 357.369 3.820 30 40 FHEB CCOc1ccc(/C=N/OCC(=O)N[C@H]2CCCc3ccccc32)cc1 5405916 GTHGCISDPKURMM-ISXGRJCASA-N 352.434 3.630 30 40 FHEB C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(/C)C(=O)OC)C2(C)C)CC1=O 3875843 VJFUPGQZSXIULQ-HIORVMPYSA-N 372.461 3.711 30 40 FHEB COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 103503786 SGWYWFBEYGWOLW-AWEZNQCLSA-N 372.808 3.627 30 40 FHEB Oc1ccc(Br)cc1/C=N/c1ccccc1N1CCOCC1 100301126 YVQSYHLKDKUEAO-XDHOZWIPSA-N 361.239 3.742 30 40 FHEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)CCCCCC1 27660904 LAOJRZSUYRUZIL-UHFFFAOYSA-N 354.479 3.902 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/COc3c(C)ccc(C)c3C2=O)cs1 63411893 RSLMOFXQOVHOFJ-ZSOIEALJSA-N 356.447 3.791 30 40 FHEB Sc1nc(-c2ccccc2)cn1/N=C/c1ccc(N2CCOCC2)cc1 6211012 YDMBLEIEXPVJEP-KGENOOAVSA-N 364.474 3.558 30 40 FHEB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 14137496 MCLQKHLOAZBPFY-UHFFFAOYSA-N 373.865 3.831 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1Cc1cccc(F)c1 97491927 WQLHMHGAEYKJJY-GOSISDBHSA-N 371.843 3.996 30 40 FHEB CC(=O)Nc1ccc(/C=N/NC(=S)Nc2cccc3cccnc23)cc1 5431604 VJJAHTCQMLVBSA-CIAFOILYSA-N 363.446 3.514 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2C[C@@H]1C 40107366 VGEYIZCGWIOLAL-HNNXBMFYSA-N 350.418 3.704 30 40 FHEB CCCOc1cc(Cl)c([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4503826 XZJBUYDXJRDQDN-QGZVFWFLSA-N 366.845 3.744 30 40 FHEB CCCC(=O)Nc1ccc(-c2csc(N/N=C(\C)C(=O)OCC)n2)cc1 6782918 ZUOPOWUVEIAREU-CIAFOILYSA-N 374.466 3.900 30 40 FHEB C=CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 8164188 BRALLVDRWSSPJX-UHFFFAOYSA-N 365.842 3.936 30 40 FHEB CCCCCCCCCCCCCC(=O)c1c(O)[nH]c(=O)n(C)c1=O 100930140 DEBIIRPCPNLGGG-UHFFFAOYSA-N 352.475 3.663 30 40 FHEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OCC 408912018 PLHNKBOZICRQAJ-MTJSOVHGSA-N 370.409 3.962 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2C1=O 7121002 UDCVPOVZISMOJN-QGZVFWFLSA-N 368.458 3.657 30 40 FHEB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C#N 14258348 GIRYFPGZNDSKKP-RMKNXTFCSA-N 357.207 3.981 30 40 FHEB CC#CCSc1nc2c(C)cc(Cl)cc2c(=O)n1C[C@H]1CCCO1 1775968425 NKLYEXJPGSXHEL-CQSZACIVSA-N 362.882 3.653 30 40 FHEB CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1F 20849251 LKYXZMLQSZSXMX-ATJXCDBQSA-N 368.364 3.983 30 40 FHEB COC(=O)[C@]1(C)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@@H]2CC[C@@]52O[C@@]25[C@]2(C)CC[C@@H]6[C@H]2[C@H]([C@@H]3[C@@H]61)[C@]45C 104294834 QOZOZVKTNHNZNM-FJTKBJODSA-N 366.501 3.517 30 40 FHEB C/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 12657173 OEJCZPLZRNAHEZ-RZWFVBBUSA-N 359.838 3.694 30 40 FHEB O=C(C(=Cn1c(=O)cc[nH]c1=S)C(=O)c1ccccc1)c1ccccc1 104305117 RMQIUJOQOJFOKH-UHFFFAOYSA-N 362.410 3.513 30 40 FHEB CSc1nncn1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611336 UGOYOKJORMNBHS-FBCYGCLPSA-N 366.805 3.847 30 40 FHEB Cc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(C)c1OC(F)F 14181411 KWFOBFOGPOOQLB-ZZXKWVIFSA-N 358.344 3.971 30 40 FHEB CC/N=C1\S[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC 4699839 FYXSZKMLJVUXCJ-LOPKLFAVSA-N 374.293 3.662 30 40 FHEB O=C(/C(=C/c1ccc2c(c1)OCO2)C(=O)C(F)(F)F)c1cccs1 5506009 NTMCVYGIVRHJAZ-POHAHGRESA-N 354.305 3.875 30 40 FHEB N#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5959819 ONVCBQXNEQCRAV-KRWDZBQOSA-N 361.430 3.664 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O 409124570 IGCOKCUBTUOLMG-LUHPIMIVSA-N 364.829 3.605 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N\c1nnc(C)s1 16770008 SGWZFBDYOQNTFE-SIJMIEFHSA-N 360.439 3.776 30 40 FHEB C/C(=N\OCC(=O)NC(C)C)c1ccc(OCc2ccc(C)cc2)cc1 96292655 KJKPOQAAKYQXNA-HAVVHWLPSA-N 354.450 3.839 30 40 FHEB COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CCC3)c(F)c1F 408628793 ALDQKKPWRKJAIN-UHFFFAOYSA-N 370.327 3.926 30 40 FHEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)c1 8844537 LWQNFEMDNQXVQG-UHFFFAOYSA-N 365.389 3.530 30 40 FHEB CSc1ncc(Cl)c(/C(O)=N/c2ccc(N3CCCCC3)nc2)n1 32753496 QWMUTOXNALBGBL-UHFFFAOYSA-N 363.874 3.874 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)c1nc2nc(Cl)c(Cl)nc2[nH]1 6494816 LCKNWPJVPBZFLM-UHFFFAOYSA-N 357.016 3.949 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2cccs2)no1 102545356 FSUYXQBFOAAXAY-IDTYTIONSA-N 370.386 3.572 30 40 FHEB N#Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 42743048 CEWXGEUTKOWVED-UHFFFAOYSA-N 369.852 3.768 30 40 FHEB COc1ccc(NC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)c(OC)c1 1410297 OFYSGDLOAXHRSA-UHFFFAOYSA-N 369.392 3.855 30 40 FHEB Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1Cl)C(C#N)C#N 109082384 JPJIYULVEOIJQJ-IBGZPJMESA-N 362.820 3.923 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCC)C2=O)cc1OC 2168061 KEMOCCDSWTUNBX-UVTDQMKNSA-N 365.838 3.807 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccco1 6188351 NGNBJUGXFJGHJI-AWEZNQCLSA-N 352.371 3.519 30 40 FHEB Cc1nc(SCC(=O)N[C@](C)(C#N)C(C)C)c2c(C)c(C)sc2n1 5428861 HPXANLDSCSDVQP-QGZVFWFLSA-N 362.524 3.763 30 40 FHEB CN(C(=O)CSc1nnc(-c2ccccc2F)o1)C1(C#N)CCCCC1 4987615 VDWURVRBURMUOK-UHFFFAOYSA-N 374.441 3.653 30 40 FHEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC 15466793 NGWBXNKZVBQWIZ-JVMRMLDLSA-N 361.511 3.915 30 40 FHEB Cc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 19927844 UORFDMPUXUHJDV-UHFFFAOYSA-N 358.445 3.766 30 40 FHEB CCc1nn(Cc2nc3ccccc3c(C)c2Cl)c(=O)c(C#N)c1CC 78610648 WHPKQTZDJLHQHQ-UHFFFAOYSA-N 366.852 3.798 30 40 FHEB C/C(=N/N=C1/NC(=O)[C@H](CC(=O)O)S1)c1ccc(C2CCCCC2)cc1 6157882 KYQDZXGCFSPFJL-IXGURIBZSA-N 373.478 3.521 30 40 FHEB CCOc1ccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1 85409056 AYBAGRJMOCPVEU-KRWDZBQOSA-N 374.400 3.508 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 253487373 JJEBKVFRHNKOBW-KZCLAMLWSA-N 374.477 3.838 30 40 FHEB Cc1ccc(C(=O)CC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 101392548 NBIFUNGALQJKCJ-UHFFFAOYSA-N 366.442 3.588 30 40 FHEB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2cn3ccccc3c2C#N)cc1 32895766 HWRPBMBNAWJGSJ-OAHLLOKOSA-N 362.385 3.524 30 40 FHEB COc1ccc(-c2cc3ncn(C[C@H](C#N)CCC#N)c(=O)c3s2)cc1 13003714 DLCQYZJAYSDVEV-ZDUSSCGKSA-N 364.430 3.577 30 40 FHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc2ccccc2c1 408743044 YWPYCKQJBCHSOZ-ZFJBLLOBSA-N 373.437 3.606 30 40 FHEB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 63938522 XTOLEDCEVGBJFX-LSDHHAIUSA-N 354.479 3.754 30 40 FHEB CCOC(=O)/C(=N/Cc1ccccc1)NNc1cccc(C(F)(F)F)c1 3185047 PYOAFWFRXSIWOC-UHFFFAOYSA-N 365.355 3.784 30 40 FHEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 5377434 MLVVZKGAPNTNPW-XFFZJAGNSA-N 356.266 3.503 30 40 FHEB COc1cc2c(cc1OC)/C(=N/N=C1/C=C(O)CC(C)(C)C1)NC(C)(C)C2 100103351 AEOFRCZLIOVQRN-UCQKPKSFSA-N 371.481 3.993 30 40 FHEB CCn1c2ccccc2c2nnc(N/N=C/c3c[nH]c4ccccc34)nc21 4737593 NOECGLSEDKHKTI-WSDLNYQXSA-N 355.405 3.927 30 40 FHEB COc1ccc(/C=N/c2cccc(-c3nnc(=S)[nH]c3O)c2)cc1OC 54363827 UKLAUFLYEBGGII-VXLYETTFSA-N 368.418 3.675 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C1=O 4115487 IXMJCDOHYBAOIS-XDHOZWIPSA-N 364.445 3.753 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cc(Cl)ccc1O 18195907 PAWHINORFNPCMC-CYBMUJFWSA-N 359.813 3.675 30 40 FHEB CC(C)c1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCC3)NC2=O)cc1 5408173 HADZGZUVNVSFBJ-INIZCTEOSA-N 372.494 3.656 30 40 FHEB N#Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 28664252 UEHZURLHCXXQFG-UHFFFAOYSA-N 373.378 3.535 30 40 FHEB COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N)c2C#N)c1 19879659 YHGHWPSZEAETOX-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2c(s1)CCCC2 9503628 RQZNPDRYCHMEQM-UHFFFAOYSA-N 358.463 3.872 30 40 FHEB N#CCSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 408751458 ZQGRTWRKMYXOQW-UHFFFAOYSA-N 351.412 3.713 30 40 FHEB C=C(C)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 16207690 MDHRMJZRBYOQHV-UHFFFAOYSA-N 373.380 3.585 30 40 FHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 101651505 YTYHHFVQLNMAHJ-QQMHEVNUSA-N 353.447 3.667 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 6870424 RIIWUAVZHUIBRC-YVLHZVERSA-N 368.414 3.706 30 40 FHEB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCC(=O)Nc1sccc1C#N 24862638 YYUYDEHMPJIVPK-LBPRGKRZSA-N 358.423 3.550 30 40 FHEB CNc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 5692890 BLDGJJNPWPBKBL-SOFGYWHQSA-N 372.377 3.558 30 40 FHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4996904 CWVZZFVRAHJWKE-XOMICKMZSA-N 353.447 3.667 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(C3CCCCC3)o2)n1 7931137 PIHYGMKRGXZPEX-GFCCVEGCSA-N 362.480 3.851 30 40 FHEB N#Cc1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 95080974 JWVIBXDQDDQPCM-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB C=CCN(c1ccc(C(=O)NC[C@H](CC)CCCC)cc1)S(C)(=O)=O 260793392 OWNADVMLPBYHOM-MRXNPFEDSA-N 366.527 3.585 30 40 FHEB Cc1nc(C#N)c(N2CCC(c3nnc(-c4ccccc4)s3)CC2)o1 94992879 BLMHNXLSZVFKKC-UHFFFAOYSA-N 351.435 3.757 30 40 FHEB CC(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 16575782 IWFXLXOPDSRVHU-KKJJZKEWSA-N 365.458 3.576 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)Oc1ccc(C(=O)CC)cc1 16706266 NSESRSDFVMFARD-UHFFFAOYSA-N 353.374 3.534 30 40 FHEB CC(C)OC(=O)CC(=O)CSc1nc(-c2ccccc2)ccc1C#N 4451144 WLFNKHIFJGXUEH-UHFFFAOYSA-N 354.431 3.623 30 40 FHEB O=C(c1ccc([N+](=O)[O-])cc1)N1CCCS/C1=N\Cc1ccccc1 12531495 KQWUNEOKAKHAOI-HNENSFHCSA-N 355.419 3.730 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2C)n(-c2ccc(F)cc2)c1C 12527949 OPUSPRVAFINKQH-AWEZNQCLSA-N 368.456 3.918 30 40 FHEB CC(C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2258744 GEHYARGEFQJDRP-INIZCTEOSA-N 366.465 3.672 30 40 FHEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2302677 BYTGJMJDEHCGKC-UHFFFAOYSA-N 367.412 3.778 30 40 FHEB C=CCOc1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 3628583 YMJVDXOHQLDXLO-GZTJUZNOSA-N 350.330 3.504 30 40 FHEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC 14404365 SGQBBDDNUBOIFO-AFMLGWFNSA-N 374.293 3.662 30 40 FHEB N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 7217318 XFIXQUSECNXYKY-UHFFFAOYSA-N 358.444 3.604 30 40 FHEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7837315 QTQUUQOEJYLHBZ-GHMZBOCLSA-N 363.508 3.706 30 40 FHEB COc1ccc(N/N=C(\C(=O)c2ccc(C)cc2)C(=O)C(F)(F)F)cc1 16790447 FKHPVKFNVCUDFZ-HZHRSRAPSA-N 364.323 3.786 30 40 FHEB CN(C)C(=O)Oc1cccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c1 408979189 PTMHROGPMTUTRW-QPJQQBGISA-N 373.281 3.889 30 40 FHEB C#CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409091222 RSUIMURNXPVSED-VBKFSLOCSA-N 358.825 3.577 30 40 FHEB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409237089 IWFGWJPXSPHQQF-GZTJUZNOSA-N 368.414 3.891 30 40 FHEB N#Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Cl)c1 36392568 DQQWECCWWZWIAE-UHFFFAOYSA-N 356.725 3.749 30 40 FHEB Cc1cccc(Cl)c1OCc1ccc(/C=N/n2c(C)nnc2S)o1 36611117 RKXQADXUANEKRP-QGMBQPNBSA-N 362.842 3.891 30 40 FHEB C=CCc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OC 216232995 SLBLWKXZPSSCQB-UHFFFAOYSA-N 350.418 3.803 30 40 FHEB Cc1nc(NC(=O)[C@@H](C)n2cnc3ccccc32)sc1SCC#N 53650685 JDHMMCNTJSJKEB-LLVKDONJSA-N 357.464 3.617 30 40 FHEB C[C@@](CC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)O)c1ccccc1 13254989 LZBYSIUXXZQCIL-FQEVSTJZSA-N 368.458 3.870 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(OC)c21 2715632 QLSLKIKHHYNILC-VLGSPTGOSA-N 362.863 3.801 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(F)cc1 22608137 MCBZHYOYHUADHG-XLKFXECMSA-N 366.318 3.704 30 40 FHEB CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc12 100864126 FHLLSNOWUNQSQR-FSJBWODESA-N 373.445 3.637 30 40 FHEB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N(CCC#N)c1ccccc1 23550373 YIQKSGGIEPTXCU-OAHLLOKOSA-N 361.401 3.660 30 40 FHEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cc(C)c(C)c(Br)c1O2 100489925 DCQRHQZTOUWICL-MRXNPFEDSA-N 366.211 3.859 30 40 FHEB CC1CCN(c2nc(SCCN(C)C)c(C#N)c3c2CCCC3)CC1 6759546 NOJAVIRFYQYGCN-UHFFFAOYSA-N 358.555 3.722 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(C)(=O)=O)cc1 7980371 LNBINSLBGWWKIE-UHFFFAOYSA-N 369.895 3.633 30 40 FHEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncs1 95953369 UDTQOUABZUYLGQ-SNVBAGLBSA-N 350.494 3.663 30 40 FHEB CC(C)(C)Cn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409362661 SFMIKXXFEBYWIO-UHFFFAOYSA-N 374.444 3.985 30 40 FHEB C=CCOC(=O)COc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 2586400 LEFQHVQEOWTUHA-UHFFFAOYSA-N 366.369 3.577 30 40 FHEB biogenic N#Cc1ccc(OCCOC(=O)c2cc(F)ccc2Br)cc1 18966303 WWSDZWZUCKVTHZ-UHFFFAOYSA-N 364.170 3.696 30 40 FHEB Cc1ccnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 53292086 XTXZNJARJMDXBY-UHFFFAOYSA-N 354.172 3.797 30 40 FHEB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(CC#N)cc1 8126281 AVBMFMJNKVYFRG-GFCCVEGCSA-N 359.223 3.921 30 40 FHEB CCOc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)cc1 3494005 HRCIXYFWYFTTDS-ZDUSSCGKSA-N 351.431 3.789 30 40 FHEB CC/N=C1\S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC 13881088 RHJGSCJXSISQBL-PTPABZONSA-N 368.506 3.855 30 40 FHEB CCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 4482876 FGSWCJHYZLOIEB-ODLFYWEKSA-N 368.385 3.643 30 40 FHEB biogenic N#C[C@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 72308611 FHPABCBPODTRGR-WOJBJXKFSA-N 351.425 3.926 30 40 FHEB Cc1cc(NC[C@H](O)c2ccccc2F)n2c(nc3ccccc32)c1C#N 71887021 NAMZNXDMHHNOQU-IBGZPJMESA-N 360.392 3.952 30 40 FHEB CN(C)C(=NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N(C)C 97001332 GJKZPVNQSNGPHQ-UHFFFAOYSA-N 358.313 3.521 30 40 FHEB O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Sc2ccccc21 26770741 QAKKSAVLFFBTDK-PDGQHHTCSA-N 368.414 3.761 30 40 FHEB Cc1ccccc1COc1ccc(/C=N\O)cc1I 216810854 XVDUHINSDLJMPV-MFOYZWKCSA-N 367.186 3.987 30 40 FHEB N#CC1CCC(CNC(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 580031409 WHNWLAGVRVIYRU-UHFFFAOYSA-N 370.497 3.922 30 40 FHEB O[C@H](CNC1CCCCC1)CO/N=C1\CCSc2c(Cl)cccc21 5648344 QSXLOGLVOHQEID-LQFHHUIYSA-N 368.930 3.840 30 40 FHEB C=CCn1c2cc(C)sc2c2cnn(Cc3ccc(OC)cc3)c(=O)c21 12113476 CQEOWLIELRDPKC-UHFFFAOYSA-N 365.458 3.964 30 40 FHEB CN(C)c1ccc(/C=N/c2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 5334086 SLBJPASEHAOGHQ-XDHOZWIPSA-N 367.434 3.854 30 40 FHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1cccs1 8462346 FGGSSOSKJPCBDS-YOEHRIQHSA-N 369.442 3.505 30 40 FHEB Cc1ccc2nc(SCC(=O)Nc3ncc(C)s3)c(C#N)cc2c1 1222320 QRIDXOOHNSQZNW-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 47138149 YJRBHVHEQWEFLT-UHFFFAOYSA-N 363.505 3.813 30 40 FHEB COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)cc1Br 980607 XMGCELRRHGSGLZ-UHFFFAOYSA-N 373.202 3.929 30 40 FHEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C 12531794 VKSAEGKDDVRSRQ-UHFFFAOYSA-N 357.483 3.556 30 40 FHEB C/C(=N\C(=N)Nc1nc(C)c2ccc(C)cc2n1)c1ccccc1C(=O)O 4104261 KOTMIPOHCQAGOF-WSDLNYQXSA-N 361.405 3.801 30 40 FHEB COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21 4294896 ZDUPMKPVDRTDCV-UHFFFAOYSA-N 367.368 3.965 30 40 FHEB O=C(COc1ccc(/C=N\c2ccc3ccccc3c2)cc1)N1CCOCC1 409239193 CJSCHSSXTWFBIF-JLPGSUDCSA-N 374.440 3.828 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 9088665 JQRGZMDLINPLRE-XIKOKIGWSA-N 366.808 3.940 30 40 FHEB COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1CC#N 9458067 DVZCVQIVACLXHG-UHFFFAOYSA-N 368.418 3.742 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 19855502 DUUKPEWHSGOATK-LJQANCHMSA-N 352.434 3.535 30 40 FHEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 409152826 KCTLBKWRCBIFNC-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB CCCCOc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 16739934 PMMDWGVUZRPFGY-SILNSSARSA-N 360.479 3.876 30 40 FHEB O=C1Nc2ccc(Br)cc2/C1=N/Nc1ccc(Cl)cc1 7892919 PVIIIPIZFCUNTI-UHFFFAOYSA-N 350.603 3.871 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl 8263564 CAINDNKAJHVKMO-GFCCVEGCSA-N 374.227 3.857 30 40 FHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1cccs1 225123546 LUVCOQOOQUUIDP-UHFFFAOYSA-N 358.282 3.892 30 40 FHEB COc1ccccc1COc1nn(Cc2ccccc2Cl)c(N)c1C#N 225839866 IPLUDOHMXKRCKJ-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)c1 46084938 DUTBCHLJFRFNQD-HKWRFOASSA-N 365.216 3.906 30 40 FHEB COc1ccccc1-c1ncc(Cn2cc(-c3cccc(C#N)c3)nn2)s1 91469016 FZARBMMWFACDDM-UHFFFAOYSA-N 373.441 3.997 30 40 FHEB O=C(CC1CCCCCC1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 1775992682 UEFMMJWHSPTXJQ-LEWJYISDSA-N 370.537 3.600 30 40 FHEB CC1(C)OB(c2ccc(Br)c(OC(F)(F)F)c2)OC1(C)C 642814648 PDXOPCMQCXMXKG-UHFFFAOYSA-N 366.970 3.647 30 40 FHEB CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccccc2)s1 5726508 LFTSLLSAFIZHEP-QPCLUCCGSA-N 356.838 3.725 30 40 FHEB CCc1cc(OCC2CCN(c3ncc(C#N)cc3Cl)CC2)nnc1C 1888870255 PUHUEWYTZPWDOQ-UHFFFAOYSA-N 371.872 3.563 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl 8263569 CAINDNKAJHVKMO-LBPRGKRZSA-N 374.227 3.857 30 40 FHEB C=C(C)C/N=c1/scc(-c2ccco2)n1/N=C/c1ccc(O)cc1O 103458262 CRCFJEBJEIZIKX-KFAUUUOZSA-N 355.419 3.580 30 40 FHEB C=CCn1c(SCCOc2ccc(C#N)cc2)nc2ccsc2c1=O 12636708 MZJMPFMGTREPGW-UHFFFAOYSA-N 369.471 3.687 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 5671659 SMQJWZHBSNJTPY-WOJGMQOQSA-N 369.406 3.797 30 40 FHEB CCOc1ccccc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6999536 WNEWTFRFOZFMOM-PKNBQFBNSA-N 352.390 3.648 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc(OC)c1OC 7717147 ZKXFLMJIWVSNEA-FNORWQNLSA-N 370.401 3.770 30 40 FHEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 408937027 MDEMKISXIUULBZ-WQRHYEAKSA-N 374.353 3.746 30 40 FHEB N#C[C@@H]1C2=C(CCCC2)S[C@@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408740766 MHSDCHVBXMYXNY-OAXJPZFWSA-N 374.378 3.668 30 40 FHEB Cc1cc(OCc2ccc(/C=N/n3c(C)nnc3S)o2)ccc1Cl 36611110 OCWGSGWCRHKMCX-QGMBQPNBSA-N 362.842 3.891 30 40 FHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 66088883 MMVNYCNXJBLZRF-QGZVFWFLSA-N 371.458 3.753 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224795385 VJXGSDQDPISHSV-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB COc1cccc2ccc(/C=C3\S/C(=N/c4ccccn4)NC3=O)nc12 13735839 ZHVVWGDOMRFXNF-PTNGSMBKSA-N 362.414 3.530 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 14110904 GECUSDZFHMBSBQ-UHFFFAOYSA-N 359.223 3.617 30 40 FHEB CCCCCCCCCCS(=O)(=O)N/N=C/c1cc(OC)ccc1O 98002606 ZXNWHOJJOXGNTG-XDJHFCHBSA-N 370.515 3.795 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 16995590 CVCOYXOHPRKTMB-FOIQADDNSA-N 360.392 3.833 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O 103139434 JQNXNXZBSJUPKS-KKSFZXQISA-N 373.497 3.535 30 40 FHEB N#C[C@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccccc1 12322144 GEIRPHIWQKUAFL-KGLIPLIRSA-N 354.456 3.916 30 40 FHEB Cc1nc(-c2ccccc2)nc(SCC(=O)NCc2ccccc2)c1C#N 27789363 KTOZGFQCXWWJJN-UHFFFAOYSA-N 374.469 3.732 30 40 FHEB Cc1ccc(-c2ccsc2/C(O)=N/S(=O)(=O)N2CCCCC2)cc1 64618726 FLVDQZDYXAFYKP-UHFFFAOYSA-N 364.492 3.759 30 40 FHEB C=CCn1c(-c2cccnc2)nn(CN2CCc3sccc3C2)c1=S 14168646 FWPFDFQESVCYKP-UHFFFAOYSA-N 369.519 3.739 30 40 FHEB COc1cc(/C=N/OCC(=O)Nc2cccc(C)c2)ccc1OC(F)F 5400047 UJLGLDYTWXTCCF-UFFVCSGVSA-N 364.348 3.594 30 40 FHEB C=CCN(C(=O)c1ccccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9450700 PXXUYRJCVUMSHC-UHFFFAOYSA-N 366.402 3.946 30 40 FHEB Cc1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585294607 SFTQXWATWMOIND-QGZVFWFLSA-N 365.462 3.814 30 40 FHEB Cc1c(Nc2oc(-c3ccccc3)nc2C#N)c(=O)n(-c2ccccc2)n1C 8660987 IJZTXSLJLBISAM-UHFFFAOYSA-N 371.400 3.755 30 40 FHEB N#Cc1c(Cl)nsc1NCc1ccc(N2CCSCC2)cc1 52428617 OHYCRSHUPPJHSL-UHFFFAOYSA-N 350.900 3.833 30 40 FHEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2628888 KKVKHJITAQBUKA-UHFFFAOYSA-N 360.413 3.669 30 40 FHEB C=CCN(C(=O)c1ccccc1OCC)C(=O)c1ccccc1OCC 938033 FHLMLRUTIGKCOZ-UHFFFAOYSA-N 353.418 3.953 30 40 FHEB CC1CCC2(CC1)C(=O)N[C@]1(C=C[C@@H](C)CC1)[C@]2(O)C#Cc1ccccc1 4983833 VNPKXGXTANPGCD-HAZYRPKRSA-N 363.501 3.820 30 40 FHEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C 2194084 MITCZGYCFAJPNP-UHFFFAOYSA-N 368.462 3.645 30 40 FHEB CCc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1 3312772 PFAKJVBZZMHRNI-UHFFFAOYSA-N 358.397 3.517 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cccn2)cc1 23881666 BCLVJZFYNWKJBH-UHFFFAOYSA-N 364.408 3.919 30 40 FHEB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(C#N)c1 12789366 VNMVZNGJHJGTQZ-UHFFFAOYSA-N 359.223 3.602 30 40 FHEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 13423876 GGSYHZSDFMRETD-BAOKRACBSA-N 373.865 3.930 30 40 FHEB C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2ccccc21 4485673 VTXPEEUKNNVRKX-UHFFFAOYSA-N 368.487 3.892 30 40 FHEB C#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 14303014 CXVHQTPOBPZYPH-UHFFFAOYSA-N 366.424 3.510 30 40 FHEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 15597148 WQSNVOGHOMQQSP-QPGLYAHGSA-N 360.413 3.706 30 40 FHEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OC 408912321 QJDYOVXICHPFBB-JAIQZWGSSA-N 356.382 3.572 30 40 FHEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc21 32593383 YKQLOWFETJVOJS-UHFFFAOYSA-N 366.417 3.638 30 40 FHEB CN(C)c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 19790561 VNUOLMATLPCKQO-JCMHNJIXSA-N 356.901 3.558 30 40 FHEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)cc1OC 2594580 XSMRCXSWNVUHRK-GZTJUZNOSA-N 370.430 3.691 30 40 FHEB C=CCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 5783904 YJSPPVLCUVPNRS-RYUDHWBXSA-N 360.508 3.594 30 40 FHEB CCCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 7605282 PZFMLZPGDKXDJT-UHFFFAOYSA-N 362.480 3.565 30 40 FHEB COc1ccc2nc(N/C=C3\C(=O)ON=C3c3ccccc3F)sc2c1 101662106 VERYWUNGNKUCCR-XFXZXTDPSA-N 369.377 3.701 30 40 FHEB CCN(CC)c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1 58166127 PYUPNTWIJJPTFE-CQSZACIVSA-N 365.462 3.783 30 40 FHEB N#Cc1ccccc1Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814463 OXEMKDVJNVDPFK-UHFFFAOYSA-N 359.307 3.746 30 40 FHEB CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 18219460 NWPQTNIIWJJALE-OAHLLOKOSA-N 358.442 3.797 30 40 FHEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1O 5164003 WHOJXKJQASZCFU-UFWORHAWSA-N 355.272 3.774 30 40 FHEB COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1 4698831 LSRUQVGRJLFMPW-IXMFVRRYSA-N 368.414 3.627 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 4723697 VQWOHXPEMZTMEV-BOPFTXTBSA-N 366.442 3.982 30 40 FHEB COc1ccc(/N=N/C(=N\Nc2nc(C)cc(=O)[nH]2)c2ccccc2)cc1 4730338 JDLDAYFFQWZFRI-KEHXRJDYSA-N 362.393 3.645 30 40 FHEB N#Cc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 7265574 QEFDAHMPPCKPQZ-UHFFFAOYSA-N 372.428 3.814 30 40 FHEB Cc1cc(=O)[nH]c(N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)n1 15635056 KXLJDXOBJMBMNZ-LPYMAVHISA-N 357.417 3.683 30 40 FHEB C[C@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 7878541 UCOPQYLKQMXIMT-NSHDSACASA-N 357.504 3.728 30 40 FHEB CC(C)/N=C(/N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 75126058 XJEUADZLKOFKOS-QGZVFWFLSA-N 355.507 3.856 30 40 FHEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=N/O)cc1 409044833 DPOGTQODJFFCGJ-CAOOACKPSA-N 360.218 3.878 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2nc(-c3ccc(O)cc3O)cs2)c1 35525491 YWYMMFCLFDETEL-REZTVBANSA-N 357.347 3.586 30 40 FHEB CN(Cc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N 256049226 YYWRWDQIWYIALP-UHFFFAOYSA-N 357.339 3.794 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2cccs2)cc1 1711631 RKPCHPKUHJRDOT-HNENSFHCSA-N 356.472 3.787 30 40 FHEB CCn1c(C)nc2c(C)[n+](CC(=O)c3ccc(Br)cc3)ccc21 3170309 JIVLOKWROXTAQK-UHFFFAOYSA-N 373.274 3.606 30 40 FHEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409048358 SQYCBEXGAGADKJ-MUQPGVHGSA-N 374.440 3.768 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3[C@@H]3O[C@@]132 4084428 GUEMLDIJFWCIGQ-RUZUTBJTSA-N 369.505 3.644 30 40 FHEB biogenic C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 4503557 IKVHPDGADGDORN-UHFFFAOYSA-N 370.522 3.596 30 40 FHEB N#Cc1ccc(/C=C/c2cn3cc(I)ccc3n2)cc1 4649880 OVBPIADAGIYKKM-FNORWQNLSA-N 371.181 3.981 30 40 FHEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NC[C@H]1CCCO1 408799175 GWNUALRMCAUUAK-JJUBJSHISA-N 372.852 3.765 30 40 FHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 225040127 SGQHZUDDEHJHNF-UHFFFAOYSA-N 374.418 3.541 30 40 FHEB C[C@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CCC(=O)O 256073311 PBKZPPIHUVSDNM-CJBPLUAASA-N 358.478 3.890 30 40 FHEB COC(=O)NCc1cc(C(C)=NOCc2cccc(C)n2)ccc1Cl 255967668 CRFYLQMIDWBKRT-UHFFFAOYSA-N 361.829 3.840 30 40 FHEB CCOc1c(Cl)cc(CNC(=O)c2sccc2C#N)cc1OC 52031958 BWYMGQLZUIVQLQ-UHFFFAOYSA-N 350.827 3.610 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](C)CC1=O)N2 19959554 TULCBCLLYLIKHY-QLJPJBMISA-N 358.442 3.797 30 40 FHEB COC(=O)CN(Cc1ccccc1CC#N)c1ccc(Br)cc1 1751988 REIATFMRZLJSSM-UHFFFAOYSA-N 373.250 3.695 30 40 FHEB N#CCCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 3250870 GDQXVWNPFLUGQS-FMIVXFBMSA-N 368.820 3.843 30 40 FHEB O=C(CC(=O)C1=CNc2ccccc2S1)C(=O)Nc1ccc(Cl)cc1 102954053 UHMODYWLYCEOBZ-UHFFFAOYSA-N 372.833 3.866 30 40 FHEB C[C@@H](C(=O)Nc1sccc1C#N)N(C)Cc1c(F)cccc1Cl 14185363 JBQFBMDDBZMHAH-JTQLQIEISA-N 351.834 3.871 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3ccccc3Br)cc2N1 7333672 VQSTVUCIIZVOLG-FNORWQNLSA-N 358.191 3.676 30 40 FHEB O=[N+]([O-])c1cc(/C=N\c2ccc(I)cc2)ccc1O 408904427 JGPLPBHPWLXEAK-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB C=CCN(Cc1cccs1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58434283 PRNPIVIFRVVWOV-UHFFFAOYSA-N 357.460 3.888 30 40 FHEB CCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl 5241834 GHETYDIMCRQHPL-LBPRGKRZSA-N 366.701 3.743 30 40 FHEB CN(C)c1ccc(/C=C2\S/C(=N\CCc3ccccc3)NC2=O)cc1 13547061 UGUYHNPLYHZFTM-JXAWBTAJSA-N 351.475 3.555 30 40 FHEB C/C(=N\NC(=S)Nc1ccc(C(=O)O)cc1)c1nccc2ccccc12 16940589 YYQXMTRONLGVMZ-WSDLNYQXSA-N 364.430 3.644 30 40 FHEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1 18043398 WLVPRKMXJGPSPY-LJQANCHMSA-N 365.429 3.930 30 40 FHEB C/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccs1 4866161 GQRHIWXYEDPPQA-JAIQZWGSSA-N 359.476 3.939 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)o1 3166693 IJKVMUHDRAVEQI-DJKKODMXSA-N 352.272 3.849 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1C 57996470 TYDXTMFYZSRNGV-GTNSWQLSSA-N 364.902 3.762 30 40 FHEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)CO[C@H](O)[C@@H](C)O 100068163 GNLNRQZETOCIRZ-FQVQSZBTSA-N 373.578 3.648 30 40 FHEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc5ccccc5n4)c(C)nc3c2c1 2206382 IIRWGWADYYPOOX-FSJBWODESA-N 367.412 3.925 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1O 13546808 NFBNLHUCWYZVON-GZTJUZNOSA-N 354.431 3.991 30 40 FHEB COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CN1CCOCC1 13545727 BVZSXEHECAAMQQ-RGEXLXHISA-N 363.457 3.740 30 40 FHEB COc1cc(OC)c([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1OC 13691247 ZPAXSTJJMCGASX-GOSISDBHSA-N 370.405 3.573 30 40 FHEB c1ccc(/C(COc2cccnc2)=N\Nc2nncc3ccccc23)cc1 18194990 JPRJSJAPJJSZSJ-GFMRDNFCSA-N 355.401 3.920 30 40 FHEB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4611768 KQWSFSCGHQOOKF-BNOWGMLFSA-N 358.463 3.740 30 40 FHEB O=[N+]([O-])c1ccc(NCC/N=C/c2ccccc2O)c(C(F)(F)F)c1 4688218 KEGMMAUWPMTDKS-KEBDBYFISA-N 353.300 3.850 30 40 FHEB COc1ccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@@H](C(C)C)C3)cc1 6719170 SMPARZVTDRUCFP-QGZVFWFLSA-N 355.463 3.767 30 40 FHEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccccc3)o2)cc1 408776458 OIOXPGIFUKQGSE-LPYMAVHISA-N 361.401 3.594 30 40 FHEB O=C(NCC#Cc1ccccc1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89821633 OSIRNNJTCXFAFA-GOSISDBHSA-N 373.239 3.654 30 40 FHEB COc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)O 409011838 IUDYLBKXIHYYHA-FGHSJCFPSA-N 358.350 3.514 30 40 FHEB COc1cc([N+](=O)[O-])ccc1/N=C/c1c(C)nn(-c2ccc(C)cc2)c1O 12462100 LLEFWDPZWLSEBS-RGVLZGJSSA-N 366.377 3.862 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 20518583 ROWNJLGDWAQFJM-UHFFFAOYSA-N 373.391 3.998 30 40 FHEB CCNC(=S)N/N=C\c1cn(CCOc2ccccc2)c2ccccc12 6630244 IOHAHNXPGMIBCH-HMAPJEAMSA-N 366.490 3.538 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 101231780 WFPTWGVUTNCUAD-HVESIFNPSA-N 353.805 3.948 30 40 FHEB N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1 10680696 IVSPLJTWUXSCMN-UHFFFAOYSA-N 354.475 3.592 30 40 FHEB CCn1cnnc1[C@H]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc23)C1 91627378 ROQKDLHKNBKWPK-AWEZNQCLSA-N 364.428 3.549 30 40 FHEB Cc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(Br)c1 6195175 UHEOPICJGWBYMF-UHFFFAOYSA-N 360.167 3.739 30 40 FHEB O=C(O)C[C@H]1S/C(=N\N=C2CCCCCC2)N(c2ccccc2)C1=O 4834150 AYIUNZPZLKTQJH-MEUCICPISA-N 359.451 3.676 30 40 FHEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9575772 TXFVOIFIGYZSSJ-NVMNQCDNSA-N 356.349 3.772 30 40 FHEB COc1ccccc1/C=C1/SC(=Nc2ccc([N+](=O)[O-])cc2C)NC1=O 408753302 NRLIQMIWRPHKSB-MHWRWJLKSA-N 369.402 3.803 30 40 FHEB CCCCN1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 95960940 UUUVVPKZCXHLIL-UHFFFAOYSA-N 369.490 3.783 30 40 FHEB COc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1Cl 409223476 ZQAGHNRKFMZUPC-KKBVUKDESA-N 363.797 3.960 30 40 FHEB C[C@@]1(Cc2cccc(Br)c2)CCCN1c1ccnc(C#N)n1 1559282643 AVWOIDVOWIXTBD-KRWDZBQOSA-N 357.255 3.712 30 40 FHEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1O 409044074 NRFNAEMFHOEVGM-HOEBFWFUSA-N 374.256 3.843 30 40 FHEB N#C[C@]1(F)CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 615609803 XQKGJXVUKGVHQX-LJQANCHMSA-N 366.421 3.679 30 40 FHEB COc1cc(Br)cc(/C=N/c2ccc3c(c2)OCCO3)c1O 3150880 HDYJVXQAUSMXGB-GIJQJNRQSA-N 364.195 3.685 30 40 FHEB CCCCCCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CC)C1=O 17084611 DBXNBIRDRQUSKM-XOMICKMZSA-N 361.511 3.725 30 40 FHEB C/C(=N\Cc1ccccc1)c1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C 101156864 OZLHKGPGGZIKNC-LFVJCYFKSA-N 373.456 3.623 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 6479524 LLRYTAUSSAZHTQ-UHFFFAOYSA-N 354.435 3.763 30 40 FHEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)c1 100261441 YCVJINLTCYZHHM-VFOOBRQFSA-N 371.437 3.724 30 40 FHEB C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 13945781 LOLZSZRMDRRZPY-QFIPXVFZSA-N 373.456 3.714 30 40 FHEB C#CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408751423 ZFYHVEOIAPVPQD-UWVJOHFNSA-N 365.176 3.755 30 40 FHEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226278958 CUBHBVRKLPRTMM-LBPRGKRZSA-N 370.371 3.909 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)c(C)c3)C2=O)s1 139352224 MWUIWOVSRIFDSO-FOCIWHPXSA-N 359.476 3.835 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 18196715 XUYWGKHIKMRKON-IBGZPJMESA-N 364.357 3.888 30 40 FHEB COc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(OC)c1 23881481 PAAQZLPAYUJBID-UHFFFAOYSA-N 358.397 3.751 30 40 FHEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1O 21660315 RFWZSVDGEOXBLH-KRWDZBQOSA-N 354.406 3.898 30 40 FHEB CCCn1c(SCC(=O)NCCC#N)nc2ccc(C(F)(F)F)cc21 12520236 HNPNYORNJOKQIC-UHFFFAOYSA-N 370.400 3.587 30 40 FHEB COc1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nc(SC)c1C#N 58904644 APLPPFCOFIUYOB-UHFFFAOYSA-N 365.458 3.764 30 40 FHEB N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 62580329 ZKHRBEMKXVXXDD-LJQANCHMSA-N 373.378 3.951 30 40 FHEB Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)nnn1-c1ccccc1 4511643 UNVUBHMLMIZVBM-UHFFFAOYSA-N 363.446 3.640 30 40 FHEB COc1cc(/C=C2/COc3ccccc3C2=O)cc(OC)c1OC(F)F 96305141 XBHXAFUCWGNRLJ-GHXNOFRVSA-N 362.328 3.964 30 40 FHEB COCCN1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccc(OC)cc1 408931923 SCQWKISCFHBJKI-CEVXTBJXSA-N 358.419 3.539 30 40 FHEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 409165784 BNFQNHLXVLWAIP-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cc([N+](=O)[O-])ccc1Cl 408925441 KXMKKVRJWKBPDB-CYVLTUHYSA-N 362.769 3.872 30 40 FHEB N#Cc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 33772804 HJUADVDMLGBPIT-NVNXTCNLSA-N 367.411 3.872 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(O)c2)cc1 19138358 PMFSLAKDNNNEAA-LJQANCHMSA-N 365.429 3.935 30 40 FHEB O=C1/C(=N/N=C/c2ccccc2O)c2ccccc2N1Cc1ccccc1 4611059 XULREDCCGBXQEH-LGLHSBMDSA-N 355.397 3.762 30 40 FHEB N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 12809452 ZGIAJUCBIVVHDZ-UHFFFAOYSA-N 362.454 3.949 30 40 FHEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C(=O)O)cc1 35657066 NCAVSGWTLDRQGK-DOXJHMMXSA-N 368.414 3.714 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccccc1 6263406 UYURVQBBTJZMJX-AWEZNQCLSA-N 362.355 3.955 30 40 FHEB N#Cc1cc2c(nc1S[C@@H](C(=O)NC1CC1)c1ccccc1)CCCC2 78283110 ILLLHEINQYOOEW-LJQANCHMSA-N 363.486 3.944 30 40 FHEB N#Cc1ccccc1-c1ccccc1C(=O)NCc1cn2ccccc2n1 8279241 YXONNHMESXPWNP-UHFFFAOYSA-N 352.397 3.803 30 40 FHEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 21964819 UJYKBTNBWXYGIE-UHFFFAOYSA-N 373.378 3.535 30 40 FHEB O=C(O)COc1ccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1Cl 59248599 KLTCNCLXZUZHID-FBCYGCLPSA-N 368.172 3.906 30 40 FHEB O=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1 27061947 KFCHPTFKGBJMIL-NCMFSIOGSA-N 358.246 3.859 30 40 FHEB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1 11231340 KQGLOASXNNYONY-UHFFFAOYSA-N 372.446 3.510 30 40 FHEB O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc2ccccc2c1 7850508 CKBVKTDGBFUWHR-KRWDZBQOSA-N 367.474 3.699 30 40 FHEB CC(C)N(C)c1ccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1F 84597186 NJYFZOFQSLKIST-HNNXBMFYSA-N 360.477 3.813 30 40 FHEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1 408973923 CRHLSOXYWNZWLT-PDGQHHTCSA-N 355.434 3.580 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3c[nH]c4ccccc34)C2=O)s1 137991230 OALHGPOSDPNSQN-IWFHXNARSA-N 354.460 4.000 30 40 FHEB N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)s1 573592989 VYJXBSPUOAFWER-QGZVFWFLSA-N 365.462 3.933 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)nc1 32883792 NROMEWVCXMOKIN-HXUWFJFHSA-N 360.461 3.533 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(=O)[nH]c2ccccc12 32908454 ZZRBVZSXFCURBN-UHFFFAOYSA-N 365.392 3.575 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccs3)ccc21 8958744 KNWHGAUDFGUBBF-UHFFFAOYSA-N 370.474 3.867 30 40 FHEB N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC=CCC3)s2)cc1 12798782 TUXXLFZNGYMUCT-AWEZNQCLSA-N 356.476 3.997 30 40 FHEB COc1cc(C#N)ccc1OC(=O)c1cc(C2CC2)nn1-c1ccccc1 12868435 HETVJPFLFBHTEJ-UHFFFAOYSA-N 359.385 3.849 30 40 FHEB COC(=O)c1ccc(Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cc1 2435707 RPPILYWXLUAWJU-UHFFFAOYSA-N 365.341 3.583 30 40 FHEB biogenic CCOc1ccc2c(c1)O/C(=C\c1ccccc1O[C@H](C)C(=O)OC)C2=O 8823730 ZJBHPNFVZBMJCW-LPXFMOJISA-N 368.385 3.642 30 40 FHEB CC1CCC(C#N)(N(C)C(=O)CN2CC=C(c3ccccc3)CC2)CC1 6551906 BWLSXRQTJLKEQV-UHFFFAOYSA-N 351.494 3.707 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc2c1OCCO2 32798780 SDFJDAAISBVNMT-HWKANZROSA-N 368.385 3.524 30 40 FHEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21 32096573 LKQKWKHSYDHIBT-OAQYLSRUSA-N 364.449 3.757 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc(I)cc2)c1 39944671 GDYAMKYKYQKABR-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 37342261 NVTPYTQEKKSLCL-MHWRWJLKSA-N 369.402 3.754 30 40 FHEB Cc1ccc(C(=O)/C=C2\Nc3ncc(Br)cc3NC2=O)c(C)c1 670416561 LKICSDQAYFQMFI-AUWJEWJLSA-N 372.222 3.592 30 40 FHEB O=C(/C=C\[n+]1ccccc1N1CCCC1)c1ccc(Br)cc1 97454946 AAWLIIFYBNJPKN-UVTDQMKNSA-N 358.259 3.690 30 40 FHEB C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1cccc(C#N)c1 5309934 AJPLMMVSZHSOAB-VIFPVBQESA-N 357.826 3.602 30 40 FHEB CCCCCCCN/C(CC)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100171799 BOXVWZMBHQSHLD-YHKKIHSWSA-N 351.487 3.568 30 40 FHEB COc1ccc(OC[C@@H](O)CN(CCC#N)CC(C)C)c(C(C)(C)C)c1 7064357 QJUXSCMRLRQLII-KRWDZBQOSA-N 362.514 3.604 30 40 FHEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H]1O/C(=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1=O 100367425 RSIBIUSOHOXXOW-LCVVECGESA-N 370.489 3.875 30 40 FHEB CCOc1c(Cl)cc(CNC(=O)Nc2cccc(C#N)c2)cc1OC 47338329 NFKWWRXQJOMAEY-UHFFFAOYSA-N 359.813 3.941 30 40 FHEB O=[N+]([O-])c1ccc(N2CCCC2)cc1NN=C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 100281376 ZJRIQEHJHVZBHS-YCTJDYOESA-N 370.453 3.534 30 40 FHEB CC1(C)CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 12659932 FNZNQMPYMHYTSI-IZULFBDQSA-N 361.526 3.635 30 40 FHEB biogenic C/C(=N/N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 12843849 GVZQMKQFOPTAKT-IXGURIBZSA-N 357.866 3.894 30 40 FHEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1 12858196 GTDODOAFGLWHIX-GRSHGNNSSA-N 368.385 3.881 30 40 FHEB biogenic CC(C)c1ccc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 29226063 VMOMEHKRFQRYEB-UHFFFAOYSA-N 350.466 3.869 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCC3 6112722 JYCAGUNQAAVLQC-ZMZPIMSZSA-N 374.535 3.715 30 40 FHEB Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1I 6278498 COGNKHDRYDDBAS-UHFFFAOYSA-N 362.170 3.724 30 40 FHEB N#CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 4544543 JLIZFVHNWQWFKR-FOWTUZBSSA-N 352.440 3.995 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccs1 4541044 WVZIGLRTMMGUOC-KRWDZBQOSA-N 371.458 3.590 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1O 7325148 DLHKFJBDSRLXEZ-VZUCSPMQSA-N 351.402 3.814 30 40 FHEB COc1cc(C#N)ccc1OCc1ccc(I)cc1 98072450 VERXBZCPYRFNSE-UHFFFAOYSA-N 365.170 3.750 30 40 FHEB C[C@@H]1CCCN(c2cc(C(=O)N3CCCc4cc(C#N)ccc43)ccn2)C1 591005423 GRKPFKAUTXSZGC-MRXNPFEDSA-N 360.461 3.783 30 40 FHEB CCC/N=C(\O)[C@H](C)/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82070622 GFWMAVSQSDUHPT-LBPRGKRZSA-N 359.392 3.849 30 40 FHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20611092 DRBMHKRCQJFUBS-GRSHGNNSSA-N 367.401 3.579 30 40 FHEB biogenic C[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C#N)C1 1959801 ODSOPTGWEBTDFB-NSHDSACASA-N 371.418 3.670 30 40 FHEB C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1cccc([N+](=O)[O-])c1 4713020 CCUQSSWAPAPPHU-NHDPSOOVSA-N 361.365 3.559 30 40 FHEB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N\O)cc1 100250118 VLSMBGNFEFYAEZ-PXNMLYILSA-N 351.156 3.744 30 40 FHEB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608381 VLOAVPZSDFKZFY-PSLIRLAXSA-N 360.870 3.921 30 40 FHEB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1\Oc2cc(O)ccc2C1=O 12814908 WEBUABHSEFLMMO-GRSHGNNSSA-N 350.349 3.950 30 40 FHEB Cc1c(C)c(C)c(C(=O)OCC(=O)NC2(C#N)CCCCC2)c(C)c1C 4580827 ZEAZQZWJDACCSQ-UHFFFAOYSA-N 356.466 3.728 30 40 FHEB C#CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408577248 YVHPYDRFNRDBBB-SFHVURJKSA-N 364.401 3.987 30 40 FHEB COc1cc(/C=N/C2=NNC3=C(CCc4ccccc43)S2)ccc1O 35682874 OQCXIKSLJWOJPJ-RGVLZGJSSA-N 351.431 3.742 30 40 FHEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(SC)cc1 224984953 QOMDQDTWFXDISW-UHFFFAOYSA-N 358.488 3.856 30 40 FHEB Cc1cc2c(cc1C)/C(=N/N=C/c1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 846705 PZHJQLNOJDGVKP-CIAFOILYSA-N 350.422 3.917 30 40 FHEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(Br)o1 5376716 NFINXABSEVFLOI-YRNVUSSQSA-N 365.208 3.639 30 40 FHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 102104147 OXDKWQBCSKCRNG-INIZCTEOSA-N 373.437 3.870 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c1 3253677 KXIKVFCYBNYOKO-DJKKODMXSA-N 368.340 3.934 30 40 FHEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(C)cc3)nnc12 3259885 ZBKWIDYOMXLUEK-UHFFFAOYSA-N 362.458 3.831 30 40 FHEB CC(C)Cn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc21 4254891 JTXZJYMCGLJQNB-IBGZPJMESA-N 358.511 3.839 30 40 FHEB C[C@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[nH]c1=S 65478201 FKVXSOAIEOZXJA-SNVBAGLBSA-N 355.448 3.741 30 40 FHEB N#Cc1ccc(C(=O)CSc2n[nH]c(/C=C/c3cccs3)n2)cc1 14200621 WNRPWUHNWSJWCX-BQYQJAHWSA-N 352.444 3.883 30 40 FHEB CCCCCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 408709653 DKIFQBWYLQATKP-UHFFFAOYSA-N 357.498 3.693 30 40 FHEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 5860895 AWPVFTSSMYIHRD-OAHLLOKOSA-N 367.474 3.835 30 40 FHEB CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 16742395 LVOLYKMFHNDMHV-MRXNPFEDSA-N 357.431 3.745 30 40 FHEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1 408751059 VWQNOKGCVPKXMO-JMIUGGIZSA-N 366.333 3.702 30 40 FHEB N#Cc1ccccc1Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O 75166153 JEDKCPGOIRIMSP-UHFFFAOYSA-N 360.398 3.547 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409047192 NPOLNTXGRMIFDM-LDADJPATSA-N 350.443 3.823 30 40 FHEB Cc1ccc2c(c1)/C(=N/Nc1ccc(C)c(C)c1)C(=O)N2C1CSC1 223721639 RPLKHRJMMKIOIP-QOCHGBHMSA-N 351.475 3.890 30 40 FHEB Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 20589813 UHNQLIFSARUNBB-WQRHYEAKSA-N 350.418 3.698 30 40 FHEB CC1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2)CC1 78869019 NLJKEZXIHSQBJO-UHFFFAOYSA-N 373.453 3.734 30 40 FHEB Cc1cc(C)c(NC(=O)CN(C)Cc2cn3ccccc3c2C#N)c(C)c1 8744645 VSJJGTQIAZMWJW-UHFFFAOYSA-N 360.461 3.807 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(Cl)cc(Cl)c1 5012156 MMMVZXTVRHQMOF-UHFFFAOYSA-N 359.216 3.586 30 40 FHEB COC(=O)C/C(CSc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1 4473859 WCAAYLNFARHRKP-XMHGGMMESA-N 359.407 3.718 30 40 FHEB COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@H](CC(C)C)CN1CC2 15306811 HAPOKUSVNOKHRF-FPGHEGDGSA-N 374.481 3.588 30 40 FHEB N#Cc1ccccc1-c1ccc(CS/C(N)=N\C[C@H]2CCCO2)cc1 84497837 OMWQVXNMSMOYCL-GOSISDBHSA-N 351.475 3.952 30 40 FHEB N#Cc1c(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc2cc(Cl)ccn12 553213131 MPRLTHPZKGBSGI-ZUZCIYMTSA-N 372.778 3.755 30 40 FHEB Cc1csc(N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)n1 409062409 UEPPGQJWDXTCFJ-WOJGMQOQSA-N 373.459 3.665 30 40 FHEB C=CCSc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 219800220 VUIDVDSQUYPFGJ-UHFFFAOYSA-N 357.475 3.954 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@@]1(C)O 66091572 KKHGJDYWHZQWDQ-LNRXMEIDSA-N 358.441 3.947 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)c(C)c1 223753932 MJHDYLHKAIZTSR-PYCFMQQDSA-N 355.438 3.721 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C1\O[C@@H]([C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1=O 245240709 RSIBIUSOHOXXOW-ZROSAGSNSA-N 370.489 3.875 30 40 FHEB N#Cc1cccnc1NCc1cn(-c2ccccc2)nc1-c1ccncc1 57858139 OVJOWYXSOZVFRG-UHFFFAOYSA-N 352.401 3.813 30 40 FHEB C=CCOc1c(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cccc1OC 5000799 QYAMIDMTWHBPIY-GHRIWEEISA-N 365.385 3.613 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C\C=C/c2ccccc2[N+](=O)[O-])cc1 15979074 DHOLMHFYXLBMEV-QLQJHXSQSA-N 365.418 3.998 30 40 FHEB Cc1c(C#N)c(NC(=O)COc2ccccc2C#N)n(-c2ccccc2)c1C 8704513 JUXWYZQRUAFAGF-UHFFFAOYSA-N 370.412 3.855 30 40 FHEB CN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C1(C#N)CCC1 58414449 FFSLLMQDXGZJMK-HXUWFJFHSA-N 358.445 3.899 30 40 FHEB CCc1sc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1C 39579853 VBJSYNUAAUJBDJ-UHFFFAOYSA-N 356.447 3.723 30 40 FHEB CCCCCCCCCCCCCC(=O)c1c(O)n(C)c(=O)n(C)c1=O 8431504 OXJQACOKRNXYOY-UHFFFAOYSA-N 366.502 3.673 30 40 FHEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O 18148731 RUVDDLSGWAELSK-HNNXBMFYSA-N 353.447 3.551 30 40 FHEB CN(C)CCCN(CCC#N)Cc1cc(Cl)ccc1Br 95997176 FOROCSHCKCBPOI-UHFFFAOYSA-N 358.711 3.770 30 40 FHEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 49171878 HLNPDZDFWBQODJ-OALUTQOASA-N 353.510 3.955 30 40 FHEB biogenic,in-vitro S=C(N/N=C\c1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 5048238 MXJOFDILJADSIV-UUYOSTAYSA-N 352.507 3.935 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 705902 AMTVVNONABPDKN-HNNXBMFYSA-N 361.825 3.583 30 40 FHEB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 2300398 NURNUALDLDBKNZ-NJYVYQBISA-N 357.388 3.942 30 40 FHEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccs1 3351311 KQUHTIWVOXFHHG-UHFFFAOYSA-N 369.475 3.629 30 40 FHEB Cc1ccsc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21 22608715 FSQMMTFWANCZJS-BDJLRTHQSA-N 352.419 3.657 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 23220071 BKZHKCXQEHTTQR-GUYCJALGSA-N 355.404 3.580 30 40 FHEB C=CCNc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 3104754 ARXCGCXZHDCIQJ-UHFFFAOYSA-N 365.458 3.715 30 40 FHEB CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCN(C)C2 1300927 PONQXJAJTRDYCU-KEBDBYFISA-N 358.463 3.677 30 40 FHEB COc1cccc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)c1O 59399129 ASGOQCIFUJALCQ-YVLHZVERSA-N 368.458 3.778 30 40 FHEB COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1OC 1914451 AQNAZVQGLQZMMB-SRZZPIQSSA-N 368.462 3.778 30 40 FHEB C=CCOc1ccc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)cc1 2267640 PKWITDQBXTUQBH-LPYMAVHISA-N 358.401 3.633 30 40 FHEB N#Cc1ccccc1-c1ccc(COc2ccc(-n3cnnn3)cc2)cc1 58557848 PABHYYUJXWAJGO-UHFFFAOYSA-N 353.385 3.780 30 40 FHEB C=CCn1c(SCc2ccc(C(=O)O)cc2)nc2ccccc2c1=O 13239148 DNPXLWBUHMLZPJ-UHFFFAOYSA-N 352.415 3.573 30 40 FHEB Cc1nsc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 4017674 ZRKVOUKVGMFYKW-WLRTZDKTSA-N 371.172 3.781 30 40 FHEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1cccs1 4899055 RRXCQTIWJNRWFD-LYHVSDRMSA-N 355.488 3.811 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 15317449 PMPGODVEKDHJGX-AWEZNQCLSA-N 358.825 3.516 30 40 FHEB N#Cc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1 7988075 KCWVWPGTHFWQLB-UHFFFAOYSA-N 357.398 3.877 30 40 FHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 302767588 MYWYLUHMKYKJBX-UHFFFAOYSA-N 374.281 3.876 30 40 FHEB C=C(C)COc1cccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)c1 219786831 DUGJKKVVEIORJW-MRXNPFEDSA-N 355.434 3.847 30 40 FHEB COc1ccc2c(c1)[C@@H](C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)CC2 581465700 CSHYOICBNIVRMU-NRFANRHFSA-N 358.441 3.913 30 40 FHEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OCC)cc1 16682875 GPWOUBHIMXHJQS-UYRXBGFRSA-N 369.461 3.970 30 40 FHEB CCOc1cc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1O 16922602 PJENMGRQMZGZKV-CIAFOILYSA-N 373.522 3.558 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5203753 RIDQMOCZEPJQEZ-QVKFZJNVSA-N 372.428 3.708 30 40 FHEB N#CCC[C@@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccccc1 12526474 FOTYCVFNAMUJKA-HNNXBMFYSA-N 360.446 3.865 30 40 FHEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 38193623 RJRAIONHHMIVNN-OCKHKDLRSA-N 362.773 3.663 30 40 FHEB Cc1nc(N/N=C/c2ccco2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5330502 KXMMMTCJYLUQNX-WOJGMQOQSA-N 352.354 3.500 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(OC)c21 100909774 JDAKIPVXXVSUDL-HNENSFHCSA-N 369.402 3.547 30 40 FHEB C=CCn1c(SCCc2ccc(OC)cc2)nc2ccccc2c1=O 3545558 CXHWRZLKUZYXGU-UHFFFAOYSA-N 352.459 3.926 30 40 FHEB Cc1c(C(=O)OCC(=O)Nc2sccc2C#N)sc2ccccc12 7568002 CXNWJNCLEDWDRF-UHFFFAOYSA-N 356.428 3.938 30 40 FHEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12350644 ALJDGBQIAAKFDF-LNSJNNGNSA-N 354.362 3.940 30 40 FHEB C=CCN/C(S)=N/N=C/c1cccc(OC)c1OCc1ccccc1F 5237084 JQFHMFQJAQLUAT-WSDLNYQXSA-N 373.453 3.809 30 40 FHEB N#C[C@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccccn1 5571968 KVEOGMQRHCVNOL-OBAOGOGRSA-N 367.455 3.628 30 40 FHEB C=CCn1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nc2sccc2c1=O 18055696 RGDZOZUSHAFVKJ-UHFFFAOYSA-N 370.415 3.575 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608786 ICNFPDFLHHOPLF-YWZLYKJASA-N 360.417 3.904 30 40 FHEB CCCCCCCCCCCCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O 70665231 BMEXQCJUKXZUGX-UHFFFAOYSA-N 352.475 3.663 30 40 FHEB biogenic CCCCCCCOC(=O)[C@H](C#N)[C@H](c1ccccc1)[C@@H]1C(=O)NN=C1C 195533627 YQUYDXZBSKSRRB-QRVBRYPASA-N 369.465 3.545 30 40 FHEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2ccc(F)cc2)c1N 225842885 WRFVMFWRVJUDBS-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)cc1 4491782 WEKCYBWKFKVNEX-GZTJUZNOSA-N 370.430 3.604 30 40 FHEB Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1ccncc1)O2 20572878 ZXNXXSUWBGGOEH-UNOMPAQXSA-N 364.445 3.944 30 40 FHEB CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCC2 703376 VXXZNYWBOCLEJA-UHFFFAOYSA-N 354.431 3.928 30 40 FHEB CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC)ccc3C2=O)cc1 9575443 PQLBODWTDKPXDH-LPXFMOJISA-N 368.385 3.642 30 40 FHEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1O 20195804 WECDQMVAZGEFFF-SRZZPIQSSA-N 364.829 3.585 30 40 FHEB N#Cc1ccccc1-c1ccc(CS/C(N)=N\C[C@@H]2CCCO2)cc1 84497835 OMWQVXNMSMOYCL-SFHVURJKSA-N 351.475 3.952 30 40 FHEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccoc1C 14135997 ZSMCJGCXUNONKE-UHFFFAOYSA-N 352.419 3.713 30 40 FHEB N#C[C@@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)o1 6845556 UBDDFUAHOHBTAY-RHSMWYFYSA-N 365.414 3.809 30 40 FHEB CC(C)(C)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19855882 UXLZGMYVRQZAOI-UHFFFAOYSA-N 356.476 3.843 30 40 FHEB O=C(O)c1cccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 409107160 VLBMRTGAWIPTGW-XDHOZWIPSA-N 350.334 3.530 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5203748 RIDQMOCZEPJQEZ-BTYIYWSLSA-N 372.428 3.708 30 40 FHEB O=C(/C=C/[n+]1cccc(-c2nnc(-c3ccccc3)[nH]2)c1)c1ccccc1 16491733 IXARMODBACUJAI-FYWRMAATSA-N 353.405 3.780 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 100495265 DXQSTFWBDSBMTH-GOSISDBHSA-N 354.450 3.637 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)CCC4 2787483 IRULMTUXKGHGGU-LLVKDONJSA-N 361.430 3.839 30 40 FHEB COc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1OCC(N)=O 681012 OMAIBPLPWDAUKW-DNTJNYDQSA-N 353.205 3.617 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(OC)c1OC 4919589 ZBTFJXJOAWOGKX-DNVCBOLYSA-N 370.401 3.616 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1 3284637 DRNPWCLYNRBHOJ-UHFFFAOYSA-N 374.849 3.876 30 40 FHEB CCCCCCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N/c1ccccc1 107037638 ZZNZFNLIHOMQRB-QQMHEVNUSA-N 361.511 3.725 30 40 FHEB C[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58209057 JGTZDHSKTWPOQI-ASJRZHAZSA-N 362.364 3.638 30 40 FHEB CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]c1C 2275377 UXYZBNZRCWCUCV-UHFFFAOYSA-N 372.187 3.820 30 40 FHEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1 13786616 URJCKYVEGGJHFR-ATVHPVEESA-N 352.415 3.849 30 40 FHEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2C)c1 409103841 HGZYPVVQTSMULZ-JCMHNJIXSA-N 352.434 3.759 30 40 FHEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2ccccc2F)c1N 225841331 HSOBXYNHHQOYLR-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223057788 HCXXEBNTYIGYRR-OAQYLSRUSA-N 364.489 3.585 30 40 FHEB CC(C)(CC#N)CS(=O)(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 331290701 BELIUADWPGEWGI-UHFFFAOYSA-N 372.893 3.870 30 40 FHEB CCCc1nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)nc(O)c1C#N 255190221 VSLJSLILWMWXJV-UHFFFAOYSA-N 364.814 3.860 30 40 FHEB N#Cc1cnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c(Cl)c1 1775995764 HYCNBLQAGYAIGH-UHFFFAOYSA-N 369.856 3.569 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)no1 5800555 PSAWGMSCKIJFMD-SFHVURJKSA-N 360.369 3.766 30 40 FHEB O=C1C=C/C(=N\c2ccc3c(c2)Cc2cc(NC(=O)C(F)(F)F)ccc2-3)O1 104261249 GBRZPGWJMSJVQB-XQNSMLJCSA-N 372.302 3.902 30 40 FHEB CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2370899 MCYFJJSKMSILGQ-INIZCTEOSA-N 366.465 3.817 30 40 FHEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 59337610 IWBHAEVKOMRTRB-KRWDZBQOSA-N 355.401 3.856 30 40 FHEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)c([N+](=O)[O-])c1 4082092 LKFATECQOILDQV-VXLYETTFSA-N 367.321 3.912 30 40 FHEB C/C(=N\NC(=S)NCc1ccccc1)c1cccc(Br)c1 5119843 VEZHCVAZNDLXQA-XDHOZWIPSA-N 362.296 3.837 30 40 FHEB C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 6369769 HYXBTLODXBKJPM-LBPRGKRZSA-N 360.255 3.676 30 40 FHEB CCCCn1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1=O 65453248 FTDCRTSBCAKEIO-CQSZACIVSA-N 370.478 3.690 30 40 FHEB C=CCc1cc(C=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 409078340 HLBXSHUAAZOSRF-UHFFFAOYSA-N 360.431 3.702 30 40 FHEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccccc1)N(C)CC3)OCO2 20111760 NFSAUYZGLBVYMW-BLGFXRMMSA-N 365.429 3.626 30 40 FHEB biogenic CCc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409303987 IUHHOVSLUUMXNL-UHFFFAOYSA-N 370.250 3.912 30 40 FHEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC(C)CC1 225857152 QQJBYAAPZOMOGF-UHFFFAOYSA-N 358.438 3.798 30 40 FHEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1ccc([N+](=O)[O-])cc1 12428930 MKLLVGHXJJYFCO-ZROIWOOFSA-N 373.162 3.702 30 40 FHEB N/C(=N\Cc1ccco1)SCCOc1ccc(Br)cc1 19672886 ZSFXRYCKZJKCHQ-UHFFFAOYSA-N 355.257 3.669 30 40 FHEB O=C(OCC(F)(F)[C@H](F)C(F)(F)F)OCC(F)(F)C(F)(F)F 169795657 FXFKLBUDNZVTJH-VKHMYHEASA-N 358.103 3.873 30 40 FHEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccn3C)S2)cc1 5376818 JHJRTFPOQGONCP-GHRIWEEISA-N 354.479 3.763 30 40 FHEB COc1cc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)cc(OC)c1OC 8469922 CUEXPYQVBPTTPY-BQYQJAHWSA-N 369.421 3.733 30 40 FHEB C=CCn1c(Cc2csc(NC(=O)c3ccc(C)cc3)n2)n[nH]c1=S 12823860 MMMWDOAOIYJTBX-UHFFFAOYSA-N 371.491 3.735 30 40 FHEB CCOC(=O)CC/C(=N/N=c1\[nH]cnc2ccccc12)c1ccc(C)cc1 12810368 RYLKYOBQOVCUHE-MOHJPFBDSA-N 362.433 3.520 30 40 FHEB Sc1nc(-c2ccccc2)cn1/N=C/c1ccc(N2CCOCC2)s1 6211046 XHVZNVKFQSMWAQ-XDHOZWIPSA-N 370.503 3.619 30 40 FHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 5906372 OEJCWRCKTOOIMR-YVLHZVERSA-N 356.374 3.727 30 40 FHEB biogenic C=CCCC[C@H](C)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 95459862 WVIJSLBEHNOWLA-KRWDZBQOSA-N 370.497 3.608 30 40 FHEB C/N=C1/S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1C 408858266 REUMLEOHYBGZQI-BBNBJWFKSA-N 356.422 3.937 30 40 FHEB N#Cc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 1640400842 KFXYFPRHIPDBJI-UHFFFAOYSA-N 350.809 3.574 30 40 FHEB Cc1ccc2nc(NCCNC(=O)c3ccccc3Cl)c(C#N)cc2c1 19221185 PJHYYSQFEZYHGX-UHFFFAOYSA-N 364.836 3.910 30 40 FHEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(C2CCCCC2)c1=O 3262748 XVEILAUBSUQPNN-UHFFFAOYSA-N 356.809 3.815 30 40 FHEB CC(=N\Nc1nc2ccc(C)cc2s1)/C(=N/O)C(=O)Nc1ccccc1 101348009 AUHJILWJFIBQFB-IWEAGPBLSA-N 367.434 3.861 30 40 FHEB CC(C)CCO[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 58130905 PDWLMUSJUARUFS-LBPRGKRZSA-N 358.360 3.889 30 40 FHEB Cc1ccc([C@@](O)(CCNc2ccc([N+](=O)[O-])cc2C#N)C(F)(F)F)o1 12731854 PAQGAPMGZDJNRH-HNNXBMFYSA-N 369.299 3.620 30 40 FHEB COc1ccc2ccccc2c1[C@@H]1NC(=O)NC2=C1C(=O)c1ccccc12 28465818 SWJAWZQPYGNABB-FQEVSTJZSA-N 356.381 3.810 30 40 FHEB Cc1cc(O[C@@H](C)/C(O)=N/Cc2ccccn2)c2c(C)cc(=O)oc2c1 5322676 OWYCCKQAXBCYIR-AWEZNQCLSA-N 352.390 3.729 30 40 FHEB N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8071640 FUXTVUGLSRWYTN-QGZVFWFLSA-N 363.442 3.910 30 40 FHEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC 8426337 SHGUABLPZQPZOQ-UHFFFAOYSA-N 366.531 3.676 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc(-n3cncn3)cc2)cc(Cl)c1O 8447004 QUVBCISYBLSGFS-FARCUNLSSA-N 355.781 3.531 30 40 FHEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/CCCn2ccnc2)c1O)CCCC3 19419151 LAVIOBHXFTUPBV-RGVLZGJSSA-N 368.393 3.631 30 40 FHEB Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1 603747 YNGFNKUXMJZNCR-UHFFFAOYSA-N 359.418 3.710 30 40 FHEB in-vitro Cc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3O)CC2=O)Nc2ncnn21 5203494 ZWGVPVOHXHALJI-SZNDQCEHSA-N 372.428 3.708 30 40 FHEB C/C(O)=C1\C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 101070003 IXZYQPDDSDFGRS-SFKKXYGYSA-N 372.218 3.938 30 40 FHEB COCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1ccccc1 101649324 WPUHOCMHUOPLIV-RABLAQOOSA-N 368.458 3.946 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1 22926740 CRBMORRHRYBCDS-FQEVSTJZSA-N 352.482 3.556 30 40 FHEB CCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 12994023 VNIQQDNXWWXDLD-KBPBESRZSA-N 366.417 3.686 30 40 FHEB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3Cc3ccncc3)cs2)c1 585294730 IOAVMELIFDNIAS-KRWDZBQOSA-N 362.462 3.885 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1c(C)cccc1C 3261646 JVMHALNPQRQYRU-RGVLZGJSSA-N 373.478 3.650 30 40 FHEB COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)ccc1O 2414929 DJQPYOSQXAQHPT-OQLLNIDSSA-N 360.822 3.946 30 40 FHEB O=[N+]([O-])c1ccc(NN=C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 5773463 SQCYJPMHFIXYGK-UHFFFAOYSA-N 369.381 3.567 30 40 FHEB COc1cc(/C(C)=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1O 20082975 NZUFXICBKOAXQH-JCMHNJIXSA-N 373.884 3.596 30 40 FHEB CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C[C@@H](OC)[C@@H]1C 2332243396 QTXLWZOBBNIAHP-GVRYPAMKSA-N 366.498 3.746 30 40 FHEB Cc1ccc2c(c1)N/C(=C/C(=O)c1ccc(Br)cc1)C(=O)O2 100820609 AKOBLMWLPLKJOB-NTEUORMPSA-N 358.191 3.855 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1ccccc1F 20947915 WPNDZFVLPSIQOZ-QGZVFWFLSA-N 357.454 3.971 30 40 FHEB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 4628793 QAGUHPZMIFAYBW-UBHSHLNASA-N 360.479 3.964 30 40 FHEB O/C(CCc1nc2ccccc2s1)=N\c1nc(-c2ccccn2)n[nH]1 47343402 XWMQLNIWWUDABG-UHFFFAOYSA-N 350.407 3.697 30 40 FHEB C(=N\Nc1nncn1/N=C\c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 55129307 HJPZREBJPYKJRD-AJMGHOAOSA-N 368.404 3.569 30 40 FHEB COc1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)cc1 6170465 ZCCRIICNQHQALC-YBEGLDIGSA-N 352.440 3.973 30 40 FHEB COC(=O)c1ccc(/N=C2/C(=O)N(CCC(C)C)c3ccccc32)cc1 6375074 RMYRLHQQENIFMR-ZBJSNUHESA-N 350.418 3.987 30 40 FHEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408738537 LRINAXLEVBSDRJ-CHHVJCJISA-N 360.822 3.951 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)c(C)c1 223749245 YSWKGUWLGWHONS-QJOMJCCJSA-N 373.428 3.860 30 40 FHEB Cc1cccc2c1/C(=N/O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 46085119 YHSAOQWBHFQDCQ-QOCHGBHMSA-N 352.434 3.896 30 40 FHEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1 223757467 FYYBYYYZOXIRNK-XLNRJJMWSA-N 355.438 3.666 30 40 FHEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224793923 UTVOLKCVHFJCBL-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB CC(=O)N1CCC2(CC1)C[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc12 96156831 RSBVPLZMWHGESW-FQEVSTJZSA-N 373.456 3.564 30 40 FHEB N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 31984174 GNECVLGRIONCPP-UHFFFAOYSA-N 354.431 3.527 30 40 FHEB CC1(C)Cc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C#N)C(C)(C)N1 4281249 AJGGIPZYFYBIBP-UHFFFAOYSA-N 364.474 3.903 30 40 FHEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(C)C1=O 4492382 DEGZRMHXNUZMMB-QQMHEVNUSA-N 371.437 3.724 30 40 FHEB CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl 58081608 MNLUFLRSTZDVAS-UHFFFAOYSA-N 368.868 3.876 30 40 FHEB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2C)cc1 58177802 WGOHZCRSAKQTED-UHFFFAOYSA-N 366.417 3.841 30 40 FHEB Cc1ccc(-n2c(C)cc(/C=N/n3cnc4ccccc4c3=O)c2C)cc1 21361711 JUJDWSHOZJBIRT-ZMOGYAJESA-N 356.429 3.995 30 40 FHEB O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)OCO2 11288574 PZELMBJJIGLMSG-GQCTYLIASA-N 363.291 3.812 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CCc4ccccn4)[C@H]3C[C@@H]12 3999761 SFTDMSJFDWODLH-ZFVIQDPVSA-N 368.521 3.870 30 40 FHEB biogenic C=CCNC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 22614249 LCMWDHJAOUFCPG-UHFFFAOYSA-N 354.475 3.783 30 40 FHEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(-c3nnn[nH]3)c2)c1 14180528 QSRRXOVVLAIBAY-UHFFFAOYSA-N 362.437 3.957 30 40 FHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14157673 LFODUGWPIAKYDC-GOSISDBHSA-N 357.816 3.502 30 40 FHEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 16741701 GRENSORZJLEQQE-KRWDZBQOSA-N 371.820 3.995 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 23125240 QRYWBGFTELWXKC-CYBMUJFWSA-N 373.334 3.569 30 40 FHEB N#Cc1nc([C@H]2C[C@H]2c2ccc(F)cc2)oc1NCCCn1ccnc1 1775976014 NRJYHPZVVUIFHK-HOTGVXAUSA-N 351.385 3.655 30 40 FHEB Fc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 5945131 JDCSUPKSBILSLV-UFWORHAWSA-N 365.199 3.749 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2)sc2c1CCC2 812732 PZCBLOMWIYYKSF-UHFFFAOYSA-N 360.822 3.557 30 40 FHEB N#Cc1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 23437509 GIYRAZTYRBKGMM-UHFFFAOYSA-N 355.441 3.669 30 40 FHEB C/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 33958513 LPUIKNDBLUFNDU-LICLKQGHSA-N 363.167 3.938 30 40 FHEB COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 1079990 PITPOKMPKVZPRG-UYAOXDASSA-N 369.392 3.676 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Cl)cc1F 5009235 IHRSEFYGVBRSCW-UHFFFAOYSA-N 359.813 3.805 30 40 FHEB N#C[C@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)o1 6845504 UBDDFUAHOHBTAY-YOEHRIQHSA-N 365.414 3.809 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 6909900 MQNMNOHBRVEJNO-UHFFFAOYSA-N 357.266 3.810 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccccc3C)ccc2c1=O 16504537 MBYARYFCXRAUHB-UHFFFAOYSA-N 351.431 3.806 30 40 FHEB Cn1ccnc1N1CCC(/N=C(/O)CCc2cc(Cl)cs2)CC1 328751779 NEATZOISSRIDFY-UHFFFAOYSA-N 352.891 3.693 30 40 FHEB COc1ccc(/C(C)=C/C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1 245239948 NKIBLZAXMSQEPZ-UHEVLXJCSA-N 358.463 3.761 30 40 FHEB COc1cc(/C=C/C(=O)OCc2ccc(C#N)cc2)cc(Cl)c1OC 5630080 SLYFKUKANPJYAS-BQYQJAHWSA-N 357.793 3.985 30 40 FHEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1cnn(-c2ccccc2)n1 32907507 OAZNZZURSWQOKI-UHFFFAOYSA-N 370.437 3.981 30 40 FHEB C/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 708634 VVWRJYIWMFAKHR-XKZIYDEJSA-N 353.447 3.878 30 40 FHEB C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1sccc1C#N 25482759 YFZOUJDNNIPXIK-SECBINFHSA-N 355.341 3.957 30 40 FHEB C#CCO[S@](=O)O[C@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 2038703 ZYHMJXZULPZUED-LLJLJFOGSA-N 350.480 3.919 30 40 FHEB in-vitro COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5898985 OQWJPAYXKRJILU-JWHLFPLYSA-N 358.777 3.897 30 40 FHEB COc1cccc([C@@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)c1OC 15108053 XYPRKAGJYQBUJV-LJQANCHMSA-N 363.417 3.910 30 40 FHEB O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc2ccccc2c1 7850502 CKBVKTDGBFUWHR-QGZVFWFLSA-N 367.474 3.699 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409282750 QIOOENULINWZNT-UHFFFAOYSA-N 362.252 3.665 30 40 FHEB CCCCCCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 408709948 ZVOQXURSPWGJAB-UHFFFAOYSA-N 364.486 3.899 30 40 FHEB COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1O[C@H](C)C(=O)O 409250098 PPGWTMLTZQQPJH-AINDZBIGSA-N 358.350 3.514 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222844246 HOQQFSFWYXLPLN-AWEZNQCLSA-N 372.852 3.970 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1[N+](=O)[O-] 226817968 CMSMQQSFBYRQKE-KBXCAEBGSA-N 355.346 3.507 30 40 FHEB COc1ccccc1-c1cc(-c2ccc(NC(C)=O)cc2)nc(N)c1C#N 19022661 PBYMZQFCRCLQDT-UHFFFAOYSA-N 358.401 3.836 30 40 FHEB COc1ccc(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1Cl 6302580 HVPAVOWTIFFCTE-XBXARRHUSA-N 372.808 3.911 30 40 FHEB CCCCCOc1ccc(/C=N/Nc2cc(-n3cc(C)cn3)ncn2)cc1 4595726 MWTMKZSUQHBCCG-YDZHTSKRSA-N 364.453 3.986 30 40 FHEB N#Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 75165900 OITVSGONONODKR-RTBURBONSA-N 363.417 3.848 30 40 FHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 14198320 VNXBTAKYDRCOQX-SFHVURJKSA-N 357.816 3.502 30 40 FHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 7217450 PWOGHYISXZDGCW-INIZCTEOSA-N 369.471 3.694 30 40 FHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 18197373 UYKUWYUJIRPQRY-ADLMAVQZSA-N 366.421 3.894 30 40 FHEB N#CCCn1cc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c2ccccc21 9884746 VVHGUQTZMQOGBQ-ZHACJKMWSA-N 370.412 3.553 30 40 FHEB N#Cc1c(COC(=O)c2cc(O)c3ccccc3c2O)cn2ccccc12 84590806 NWKRFSHALGKOPH-UHFFFAOYSA-N 358.353 3.732 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1sccc1C 408792307 AIITVBDTLLXKGJ-OAHLLOKOSA-N 351.427 3.798 30 40 FHEB Cc1ccccc1Cn1nc(OCc2cccc(Cl)c2)c(C#N)c1N 225844493 MACRHQJHGSUQSW-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB CC1(C)OB([C@@H]2CCN(C(=O)NCC3(c4ccccc4)CC3)C2)OC1(C)C 1776007664 SCIUHASWVMVNFL-QGZVFWFLSA-N 370.302 3.596 30 40 FHEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1cc(Cl)ccc1O)CCCC3 712274 BKCDFBNUTJQRTJ-AWQFTUOYSA-N 373.865 3.886 30 40 FHEB COc1ccc(OC)c(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1 19771494 CDRUTTYUDIMIMX-HMAPJEAMSA-N 373.884 3.509 30 40 FHEB COc1ccc(OC)c(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1 4680177 NJLNDCLHMPBGKH-GRSHGNNSSA-N 374.853 3.787 30 40 FHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccc(C)cc2)cc1 4906190 UONTWVWACGFWRX-PJKUKWEASA-N 367.474 3.858 30 40 FHEB COC(=O)c1ccc(/C=N/O[C@H](C)C(=O)Nc2ccccc2SC)cc1 32899816 YTNSVQLQLGBSBR-HMHKGCENSA-N 372.446 3.573 30 40 FHEB Cc1cccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1C 6924550 ZZXXOAHJBMSYGH-UHFFFAOYSA-O 364.444 3.783 30 40 FHEB C=CCn1c(SCc2cn3ccccc3n2)nc2ccsc2c1=O 12531876 SQMQYISIQNQDTE-UHFFFAOYSA-N 354.460 3.584 30 40 FHEB CCCCCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O 409200365 IFRUSAKYVMAOJA-VBKFSLOCSA-N 360.435 3.824 30 40 FHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409288068 CJBFWTHBOJFMED-UHFFFAOYSA-N 360.211 3.758 30 40 FHEB CCSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 6727498 RCRHJJSQSWRCSP-OQFOIZHKSA-N 372.265 3.901 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 6844141 PWWDVVWRWFYOHM-QUCCMNQESA-N 365.385 3.914 30 40 FHEB Cc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1 7883506 FXFHXLOPJAOYPH-OAHLLOKOSA-N 353.447 3.551 30 40 FHEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc(F)cc1 17246171 VCYWXHPPAGZLAE-UHFFFAOYSA-O 370.835 3.820 30 40 FHEB CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2 17440248 GHGHIKGBNIZCFJ-UHFFFAOYSA-N 360.479 3.615 30 40 FHEB CCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C#N)nc1 97212573 DORMVUKLDSZHQL-UHFFFAOYSA-N 357.479 3.954 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 409123333 GEYCEUOWFDUOFV-NTEUORMPSA-N 364.829 3.605 30 40 FHEB CCOc1ccc(-n2c(C)cc(/C=N/n3c(C)nnc3S)c2C)cc1 408863145 PODHOSLGEIZXTI-YBFXNURJSA-N 355.467 3.564 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2cc(C)ccc2C)ccc1OC 34736320 WPWKUJGVOFAMIQ-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccccc1 224678373 PHFSDVZMQCTQEL-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 225014885 HTJJGSZNNCQIEY-UHFFFAOYSA-N 374.418 3.541 30 40 FHEB O=C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225669469 QTYUEJZYBMSWNC-BZUAXINKSA-N 355.242 3.748 30 40 FHEB COc1ccc(/C(C)=N/OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 5093198 YTQJQMDUOCLHHT-ZSCUNEJQSA-N 358.482 3.863 30 40 FHEB C=CCN1CCC[C@@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1 19530071 IKDMKALNULPKOB-IERDGZPVSA-N 374.456 3.540 30 40 FHEB COc1ccc([C@@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC 863138 ACOUXTNDPMCMPL-HXUWFJFHSA-N 368.433 3.764 30 40 FHEB C#Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12536824 HNZRDVGUAHVAMQ-UHFFFAOYSA-N 352.393 3.775 30 40 FHEB N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCC1 2201573 RMCUIMXRIMVFAA-UHFFFAOYSA-N 362.227 3.878 30 40 FHEB Cc1nc2c([nH]c3ccc(Cl)cc32)c(=O)n1/N=C/c1ccccc1F 2300767 DLKZKNQDENZQRG-ZVBGSRNCSA-N 354.772 3.861 30 40 FHEB CC(=O)Nc1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 13477618 JUJWGPUOMJPSLI-UHFFFAOYSA-N 372.222 3.789 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1C 13582699 HFQHTMUNHGXRQL-VORLENPISA-N 367.474 3.858 30 40 FHEB N#Cc1cccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)c1 5892198 KYDJPRXYUTUTPY-UHFFFAOYSA-N 369.837 3.523 30 40 FHEB Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 8161695 HNLJAYBWGFCLMN-UHFFFAOYSA-N 362.462 3.811 30 40 FHEB C(=N\N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)\c1ccccn1 8380688 UZKSCIRCAHIVKT-SMESOTEBSA-N 372.472 3.950 30 40 FHEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)C1(c2cccc(F)c2)CCCC1 97465376 YEUVFRVDUFKLBS-UHFFFAOYSA-N 366.414 3.588 30 40 FHEB COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccccc2OC)o1 20761817 SDCNMINYVLRATP-OEAKJJBVSA-N 364.401 3.866 30 40 FHEB NC(=O)C(=NNc1c(Cl)cccc1Cl)c1nc2ccccc2s1 368147617 VALRLCPOWPCTCL-UHFFFAOYSA-N 365.245 3.905 30 40 FHEB CN(C)c1ccc(/C=N\N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 5392842 JDPDRMRHHQTAMK-UKWGHVSLSA-N 361.232 3.835 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 30530182 ZFGRSIKSVLLNAS-UHFFFAOYSA-N 364.448 3.982 30 40 FHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2 102140937 QANAUOKCWZHAPF-AWEZNQCLSA-N 353.447 3.763 30 40 FHEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=S)N(CC)C2=O)cc1Cl 6952497 GAVAPHFYCZFRKH-LBPRGKRZSA-N 374.314 3.797 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H](C)[C@@H]21 106138654 ZSUNPDNTZRFPDR-XERREHJYSA-N 356.514 3.773 30 40 FHEB C=CCNc1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)s1 12613466 KXSQNVNEOGRQHW-LBPRGKRZSA-N 360.508 3.596 30 40 FHEB N#Cc1ccccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 101464273 UHRUIGULKBKQOC-NJNXFGOHSA-N 365.396 3.777 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccccn2)cc1 104094084 KQKRLPKEZCTVEE-STZFKDTASA-N 351.431 3.941 30 40 FHEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC(F)F)c(OC)c1)CO2 58197922 OJAOMXFCIGNBAT-GHXNOFRVSA-N 362.328 3.964 30 40 FHEB N#Cc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 27918077 FWLBSYQBESXEGS-UHFFFAOYSA-N 367.206 3.759 30 40 FHEB C=C(C)CN(CC)C(=O)CSc1nnc2cc(C)c3ccccc3n12 3444092 ZHQDKPYMJBAESA-UHFFFAOYSA-N 354.479 3.708 30 40 FHEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)o1 5186711 NBJPWOWFXLJOLU-YVLHZVERSA-N 356.374 3.925 30 40 FHEB C#Cc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65474481 ASLMRHWDKAAFBZ-LLVKDONJSA-N 354.460 3.850 30 40 FHEB N#Cc1ccc(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 6628262 AFASSBYNXRHHQH-UHFFFAOYSA-N 359.259 3.903 30 40 FHEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Cl)c1O 15011736 KYHLHALXRRGNDS-NTEUORMPSA-N 360.822 3.946 30 40 FHEB Cc1c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)oc2c(Cl)cccc12 7737200 PUNMMMNXFRLXFT-SFHVURJKSA-N 362.813 3.606 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccnc4)ccc3C2=O)cc1 16215914 XQVLUPDROULPOV-JAIQZWGSSA-N 373.364 3.926 30 40 FHEB biogenic COc1cc(Br)c(/C=C2/COc3ccccc3C2=O)cc1O 96767441 WAEYPBLNQIVZGG-WDZFZDKYSA-N 361.191 3.822 30 40 FHEB COc1cc(C=NO)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541523 CZOQAVMBWJYPPU-UHFFFAOYSA-N 368.433 3.708 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 40128410 TXPHSYCLOMCDKJ-CQSZACIVSA-N 374.366 3.827 30 40 FHEB COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 49111610 FTMVHEMEBLBNPN-LUZURFALSA-N 366.413 3.967 30 40 FHEB CCOc1cc(/C=C2\S/C(=N\c3cccc(OC)c3)NC2=O)ccc1O 5214578 ZDNCWSOOTCGHQW-YVLHZVERSA-N 370.430 3.691 30 40 FHEB Cc1cc(S[C@@H](C)C(=O)N2CCCC2)n2c(nc3ccccc32)c1C#N 4269684 TUXBGLATTZHROK-AWEZNQCLSA-N 364.474 3.771 30 40 FHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 4538224 QVDKFNJBEBEKPD-QGZVFWFLSA-N 350.418 3.592 30 40 FHEB C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccncc1 54702482 JKFSDEFEPOMDRY-NRFANRHFSA-N 355.397 3.865 30 40 FHEB COc1cc(CN(C)C(=O)NCc2ccc(C#N)cc2)ccc1SC 58370199 AFZWBBHBUVKFPF-UHFFFAOYSA-N 355.463 3.630 30 40 FHEB C=CCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2250534 NLZCBGJMOFLKPE-IRXDYDNUSA-N 350.462 3.934 30 40 FHEB CC(=O)N(CCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O 2284135 GOIVLWGWCJTPFV-UHFFFAOYSA-N 353.805 3.607 30 40 FHEB COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)[nH]c2c1 4252407 AFQNSTQATXAFJY-LLVKDONJSA-N 352.419 3.562 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)noc1C 14093845 ZKGIHZXLGKNLHU-UHFFFAOYSA-N 361.401 3.818 30 40 FHEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(F)cc3)nnc12 4500338 BOGPDRQWBSAAFL-UHFFFAOYSA-N 366.421 3.662 30 40 FHEB N#Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)sc2c1CCCCCC2 35877064 SNDXLDVKDKFFHO-OGRXGRENSA-N 352.459 3.590 30 40 FHEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1C 408929491 KDFRVDIQJVSMFG-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C#N 37170582 LHYHHWZUYMUFST-NORZTCDRSA-N 358.511 3.710 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1CC2=C(CC(C)(C)CC2=O)NC1=O 1740818201 KAPFINDBTMILJU-LBPRGKRZSA-N 374.868 3.756 30 40 FHEB COCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccccc1 2141725 DZYJEANGVRFZCG-CJGMICOPSA-N 354.431 3.643 30 40 FHEB COc1ccc(NC(=S)N/N=C(/c2ccccc2)c2ccccn2)cc1 6411100 RLZRXWZKBWZLGC-NMWGTECJSA-N 362.458 3.829 30 40 FHEB C=C(C)COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)O)cc1OC 4171427 HRVJZDILYYJOBT-GZTJUZNOSA-N 367.401 3.506 30 40 FHEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(OC)c1OC 4919580 ZBTFJXJOAWOGKX-HNAYVOBHSA-N 370.401 3.616 30 40 FHEB COC(=O)c1cccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c1C 59247942 TYYKGSPJDIEWKK-AWQFTUOYSA-N 361.781 3.649 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718051 IJMKTNUFKGGJCO-AWEZNQCLSA-N 370.836 3.896 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1N2 18195502 AFUKRBYWKCPRLJ-LBPRGKRZSA-N 350.205 3.987 30 40 FHEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2ccccc2)NC1=O 18148733 RUVDDLSGWAELSK-OAHLLOKOSA-N 353.447 3.551 30 40 FHEB CSCC[C@H](NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 5827132 SYTHOHVHZOXKIZ-KRWDZBQOSA-N 350.447 3.659 30 40 FHEB COc1ccc(-c2c[n+](CC(=O)c3ccccc3Cl)c3n2CCC3)cc1 17246638 CUEBBKFVDCKZAH-UHFFFAOYSA-N 367.856 3.934 30 40 FHEB N#CCc1cccc2c1CCN(C(=O)NCc1ccc(Cl)cc1F)C2 599035378 KZCSVVHBLVXUCG-UHFFFAOYSA-N 357.816 3.813 30 40 FHEB C=CCN1C(=O)N/C(=C\c2ccc(-c3cccc(Br)c3)o2)C1=O 16996293 XMAJTCDEXDLHMC-UVTDQMKNSA-N 373.206 3.788 30 40 FHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1OC(F)F 6550148 WHZLBJVCMMPEAO-UHFFFAOYSA-N 373.384 3.614 30 40 FHEB CCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCC 101342143 LSFNVBFEFPZYFU-QZTJIDSGSA-N 374.518 3.516 30 40 FHEB Nc1nc(N)c(/N=C\C=C/c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 4877154 VSLWSTSTUSVHGC-ZDFASGQISA-N 360.377 3.632 30 40 FHEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 9304534 JHWWCIJFVBOHQY-NVMNQCDNSA-N 366.369 3.983 30 40 FHEB CC(C)OP(=O)(OC(C)C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 6190590 QRAWOXZQYSLQIV-FYWRMAATSA-N 374.290 3.598 30 40 FHEB C=CCNc1nc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cs1 6549738 KDJOGVKUJRXHRK-UHFFFAOYSA-N 360.479 3.683 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)S2)cc1 408961203 LGIPWQJRJIZYNH-NTEUORMPSA-N 355.375 3.500 30 40 FHEB C[C@H](O/N=C(/N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C 78696013 ZHXCHAWYIKNMKX-KBPBESRZSA-N 371.868 3.538 30 40 FHEB COc1ccc(OC)c(-c2c(C)c3cc(OCC#N)ccc3oc2=O)c1 5303977 FZXXDUAXXRZOGN-UHFFFAOYSA-N 351.358 3.688 30 40 FHEB biogenic CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 103807681 ZEWUYNOYYXDWTO-JDHOSOCTSA-N 373.518 3.880 30 40 FHEB C=CCSc1nc2ccccc2n1CC(=O)NCCc1ccccc1 12520338 BQWQPOFZSNCEPD-UHFFFAOYSA-N 351.475 3.673 30 40 FHEB COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1CSCC(=O)O 12769690 BOZNPSRXNUANPA-SOFGYWHQSA-N 367.426 3.781 30 40 FHEB N#Cc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 11620690 YMXCZHOKIZWNMZ-UHFFFAOYSA-N 354.841 3.862 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 18006518 YJTJRWGYGPOAHZ-LJQANCHMSA-N 362.429 3.517 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccccc1OC 4785519 MZLOZSCQBDNRFY-VUFYJBQKSA-N 352.525 3.863 30 40 FHEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1ccccn1)[C@@H]1CCCN21 5689861 LVBJAXYKDWSGLN-UNMCSNQZSA-N 355.445 3.562 30 40 FHEB C=CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC)c1 7979089 DDQZIUHGPPMWHA-UHFFFAOYSA-N 363.391 3.528 30 40 FHEB COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 16408317 YZSMDPSBDOKOLA-RMKNXTFCSA-N 358.390 3.626 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(Cl)c3)c3n2CCC3)cc1 16955866 QYMIAKPTZAFEIE-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1 225665961 BDZVSWXPAQYQSM-QYZOEREBSA-N 373.861 3.551 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 97324149 ZEWUYNOYYXDWTO-FEIWLLDLSA-N 373.518 3.880 30 40 FHEB COc1cc(/C(O)=N/c2nc(-c3ccc(C)s3)n[nH]2)cc(OC)c1C 50006573 YJMSAMNUXGIFTD-UHFFFAOYSA-N 358.423 3.804 30 40 FHEB O=C(O)C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(Cl)C(F)(F)Cl 100045801 LXQALNRZYKVNKJ-RXMQYKEDSA-N 362.959 3.645 30 40 FHEB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5867269 VTYFQSZCJCMRHL-CYBMUJFWSA-N 363.446 3.771 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N\NC(N)=S)CC[C@@]43C)[C@@H]1CC[C@@H]2O 12659393 YSALUCJHTGLMGQ-MMBZRXEISA-N 363.571 3.579 30 40 FHEB COc1ccccc1-c1c(C#N)c(N)nc2c1CN(Cc1ccccc1)CC2 18241844 FLTLNMQPQLVMPG-UHFFFAOYSA-N 370.456 3.769 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 888435 ZNQQBOBENQFAGZ-UHFFFAOYSA-N 367.390 3.821 30 40 FHEB COc1ccc(OC)c(/C=N/OCc2cc(Cl)c3c(c2)OCCO3)c1 22182761 KUSJSBSDSLZQTJ-KEBDBYFISA-N 363.797 3.679 30 40 FHEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2cc3ccccc3o2)cc1 7951217 QSXVIMPYAGZVII-CPNJWEJPSA-N 358.419 3.534 30 40 FHEB NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2805706 PRIZDNPCWVBWPG-UFWORHAWSA-N 354.262 3.740 30 40 FHEB Fc1ccc(N/N=C/c2cc3ccccc3nc2N2CCOCC2)c(F)c1 23865524 LZFKPWUYIFNJSJ-YDZHTSKRSA-N 368.387 3.796 30 40 FHEB C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O 3133791 REVQVOOBZMECCU-UHFFFAOYSA-N 372.881 3.716 30 40 FHEB C/C(Cn1nnc2ccccc21)=N\OC(=O)c1cc(F)c(F)cc1Cl 4492258 JLFNMMWBXNYBBA-ZVBGSRNCSA-N 364.739 3.596 30 40 FHEB C=CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 4436252 NVVOJGAGYGGHQS-KRWDZBQOSA-N 352.463 3.887 30 40 FHEB CCc1nnc(/N=C(\O)CN(C)Cc2ccc(C(F)(F)F)cc2)s1 14190380 OMZNUNAXHUQVEQ-UHFFFAOYSA-N 358.389 3.839 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cc2ccccc2o1 5427070 YBSXGVCWLROOAC-LGMDPLHJSA-N 361.397 3.964 30 40 FHEB biogenic CCOC(=O)Cc1csc(N/N=C/c2ccc(C(F)(F)F)cc2)n1 4860309 WZNOYEYUHXNTHD-UFWORHAWSA-N 357.357 3.714 30 40 FHEB O=[N+]([O-])c1ccc(Cl)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1 409031174 GPENHFZTRXDOHT-PVOVUMCXSA-N 367.608 3.962 30 40 FHEB CCn1c(N/N=C/c2ccc(O)c(Br)c2)nc2ccccc21 408692470 NCYPKZNRVUOBLY-VCHYOVAHSA-N 359.227 3.970 30 40 FHEB C#CCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 315714461 XSHPACOFLXUHKY-UHFFFAOYSA-N 361.195 3.981 30 40 FHEB COc1ccc([C@H]2C3=C(CCCC3=O)Oc3cc4c(cc32)OCO4)cc1 5618795 MDWGLQDZZVZKKO-HXUWFJFHSA-N 350.370 3.955 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccco1 96336096 UXHZISFAOJENSZ-CQSZACIVSA-N 370.361 3.658 30 40 FHEB COc1c(-c2ccccc2)c(=O)n2c3cc(C)c(C)cc3n(C)c2c1C#N 1609069 PJUZHXKVXXGHHM-UHFFFAOYSA-N 357.413 3.955 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 7325394 HKHLWVUGPBCSHE-UHFFFAOYSA-N 363.460 3.552 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc(Br)cc2)s1 7594342 FLLMKWBORDLAIJ-UHFFFAOYSA-N 356.270 3.831 30 40 FHEB Cc1ccc(OCCOC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 7672282 VENLXVNVYSLMMR-UHFFFAOYSA-N 350.374 3.795 30 40 FHEB Cc1nc2cc(F)cc(C(=O)OCc3cn4ccccc4c3C#N)c2nc1C 62466445 WUGVKICXBHOZDY-UHFFFAOYSA-N 374.375 3.867 30 40 FHEB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6552428 ZFDLNWPGHBLMJG-XBXARRHUSA-N 372.808 3.911 30 40 FHEB O=S(=O)(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 16791084 RMSJOOGBQKUVOU-UNOMPAQXSA-N 360.822 3.912 30 40 FHEB C#CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1 408779707 IMQZYLMYMBWXGL-LUDQZLGDSA-N 364.470 3.861 30 40 FHEB C=C(C)COc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 219777032 ZRMLKDJBFZXPDB-UHFFFAOYSA-N 366.461 3.613 30 40 FHEB C=CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 72345656 PBXSJQDEOLSJNV-JOCHJYFZSA-N 351.446 3.756 30 40 FHEB Cc1c(Cl)cnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)c1C#N 612089997 AONDYKMXZHKNIG-SFHVURJKSA-N 362.260 3.752 30 40 FHEB CC(C)c1nc(N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc(N(C)C)n1 5849583 FFTXXAFTOPWDSW-GIJQJNRQSA-N 362.821 3.674 30 40 FHEB CCCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OC 208786231 ICFTWLARMCCJNR-IZZDOVSWSA-N 354.200 3.563 30 40 FHEB N#Cc1ccc(N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)cn1 1888906859 VICSVEKXZDGPMI-CYBMUJFWSA-N 365.437 3.995 30 40 FHEB N#Cc1cc2c(nc1N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CCCC2 1888913844 VIUWDNAEHXWKJB-UHFFFAOYSA-N 374.366 3.513 30 40 FHEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cc1 969979 FTFJMVBDKXTHEH-MRXNPFEDSA-N 370.478 3.667 30 40 FHEB CC[C@@H](C#N)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 60342129 PILYTQDPRCQQNI-LBPRGKRZSA-N 353.451 3.773 30 40 FHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 959811 RJOSZZNTNIZXIU-CYBMUJFWSA-N 373.865 3.710 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccccc1Cl 24049615 PCMBFDBPIYRPNG-UHFFFAOYSA-N 358.873 3.658 30 40 FHEB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc(C#N)cc1 10962443 ZMQOETSQWDGAPY-UHFFFAOYSA-N 363.461 3.586 30 40 FHEB Cc1nc(SCCn2cccn2)c(C#N)cc1C(=O)Nc1ccccc1 58163604 JESJWLOJNFYIPV-UHFFFAOYSA-N 363.446 3.503 30 40 FHEB C=CCN(CCc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 58171084 IBIYCHDRTPSVOT-UHFFFAOYSA-N 355.434 3.583 30 40 FHEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=S 96544908 WTKDJWOFDYOJFK-SQFISAMPSA-N 364.517 3.843 30 40 FHEB Cc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)c(C#N)c(C)c1C 6980737 AOXULSSFHVWZQE-SFHVURJKSA-N 351.475 3.991 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccncc4)ccc3C2=O)cc1 16215920 VYGONSHFAUPLFO-NDENLUEZSA-N 373.364 3.926 30 40 FHEB biogenic CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218424856 MUIJAPLNNCMAGK-PCCBWWKXSA-N 369.486 3.735 30 40 FHEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224960299 YLPZZTMBNNXKQZ-UHFFFAOYSA-N 364.854 3.630 30 40 FHEB Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)nc1 585294588 SDXBWFCTCPJHAG-HXUWFJFHSA-N 371.448 3.527 30 40 FHEB CCOc1cccc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)c1O 1243558 DDURSZSLRSHXPX-ODLFYWEKSA-N 354.435 3.903 30 40 FHEB C=CCNC(=S)N/N=C/c1ccc(O[C@H](C)c2ccccc2)c(OC)c1 6183615 XVRPBDYYNIJOGJ-QQHUYRGFSA-N 369.490 3.819 30 40 FHEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 6362131 RWSWQJOCFNSYMV-VZUCSPMQSA-N 352.415 3.502 30 40 FHEB CCOc1ccc(/C=N/Nc2cc(OC)nc(-c3ccccc3)n2)c(O)c1 4595697 HWJWCPLGJCCPBM-FYJGNVAPSA-N 364.405 3.703 30 40 FHEB N#Cc1oc2ccccc2c1NC(=O)CSc1ncnc2ccccc12 3527829 ZTYPNDLZRKDCDM-UHFFFAOYSA-N 360.398 3.978 30 40 FHEB C=CCNC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 2948940 BFPZBHHHJPOVPJ-UHFFFAOYSA-N 350.447 3.820 30 40 FHEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@@H]2c1ccc(Cl)cc1 1235246 YPTKGMHDMJNLDM-CYBMUJFWSA-N 362.882 3.553 30 40 FHEB CO/N=C/[C@@H](C#N)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 4050653 MWZIZKAVTWFVKL-CPJBHBTRSA-N 362.233 3.907 30 40 FHEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1 6362143 NCDDICAFHYBDGU-CSKARUKUSA-N 352.415 3.502 30 40 FHEB CC(=O)SCC(=O)[C@@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 9452476 LPXVNYXQAJDRIQ-SECBINFHSA-N 358.366 3.771 30 40 FHEB O=S1(=O)CC[C@H](/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 12428687 BYULKXUGMYBJKD-QOJWJBQSSA-N 357.353 3.571 30 40 FHEB C=CCOC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 36644137 SISJRUCYYRUXCE-UHFFFAOYSA-N 351.402 3.725 30 40 FHEB CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)C1(C#N)CCC1 67683409 RYZRBIOZXRRKHK-UHFFFAOYSA-N 363.446 3.514 30 40 FHEB N#Cc1csc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1 84087309 GLVGYGRXSXEIIZ-UHFFFAOYSA-N 354.431 3.590 30 40 FHEB COc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 97466876 QNJQOFPPLZJXQL-XFGDDMJQSA-N 368.414 3.658 30 40 FHEB Cc1occc1C(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)nc1 104095908 MMSWGCJKOINZGC-GOSISDBHSA-N 360.369 3.767 30 40 FHEB Cc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 138481384 GBAQZORKODYHEF-NIPZQEADSA-N 352.415 3.927 30 40 FHEB C#CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409054012 LMFTUKBINRULOV-UDWIEESQSA-N 368.849 3.781 30 40 FHEB Cc1c(F)cccc1NC(=O)Cn1cc(C#N)c(=O)c2ccc(Cl)cc21 1889040933 RCPYGKANQFHWSP-UHFFFAOYSA-N 369.783 3.613 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1Cl 3453000 RHVDGKKHAYWSFJ-UHFFFAOYSA-N 371.805 3.617 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl 18196078 JWKGTDXLANOKHN-AWEZNQCLSA-N 364.236 3.638 30 40 FHEB CC(C)N(C(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccccc1 16955889 GUSLWRJPRXSKGR-UHFFFAOYSA-N 360.481 3.830 30 40 FHEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1O 408763386 NNBOHECMZTZJFS-DHDCSXOGSA-N 360.822 3.946 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779036 MWYAHGJZXHDMPU-UHFFFAOYSA-N 370.836 3.907 30 40 FHEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cn1 225932901 SOQCCLKWFKGLFN-UHFFFAOYSA-N 352.434 3.642 30 40 FHEB Cc1nnc(/N=C2/S/C(=C\c3ccc4ncccc4c3)C(=O)N2C)s1 256055899 YLSDKQCTDHHFGL-YQVRAYJVSA-N 367.459 3.629 30 40 FHEB CCc1c(C)sc2nc(S[C@H](C)C#N)n(C[C@H]3CCCO3)c(=O)c12 5571497 VUJVKGJWGCITET-ZYHUDNBSSA-N 363.508 3.512 30 40 FHEB O=C1C(Cl)=C(NNc2nc3ccccc3s2)C(=O)c2ccccc21 16989992 FMBZIBKDXXZONG-UHFFFAOYSA-N 355.806 3.742 30 40 FHEB CN(C)c1ccc(/C(Br)=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4235762 MNLSYABWFCWILX-SDXDJHTJSA-N 363.215 3.829 30 40 FHEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 870983 RKHGFHLAYLUXLD-IBGZPJMESA-N 350.418 3.690 30 40 FHEB Cc1cc(C)cc(N(CCC#N)C(=O)COc2cccc3c2CCC3=O)c1 40068607 YSUJSMJFYZADJK-UHFFFAOYSA-N 362.429 3.758 30 40 FHEB Cc1cc2cc(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 883082 GQMIXBBWFGBZIM-INIZCTEOSA-N 363.392 3.605 30 40 FHEB C=CCOc1c(OC)cc(C=O)c(Br)c1Br 2767386 NGVFYZIFAADHJU-UHFFFAOYSA-N 350.006 3.598 30 40 FHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC(F)(F)F)cc1 8300037 GYURYUPRUBDRRG-KCQAQPDRSA-N 369.387 3.603 30 40 FHEB biogenic,in-vitro C=C(C)Cn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 1927078 APJFXMXSLJRYDU-UHFFFAOYSA-N 365.433 3.560 30 40 FHEB COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C(C)C)cc1 11097016 WTOJGZLBZIDWMW-MGPUTAFESA-N 351.450 3.881 30 40 FHEB C#CCn1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 9015871 SGFXMQLXSZICDE-XDHOZWIPSA-N 373.387 3.507 30 40 FHEB CN1/C(=C\C=N\NC(=S)Nc2cccnc2)C(C)(C)c2ccccc21 4465434 PSXYPAUXCORBBJ-PVJAAUPOSA-N 351.479 3.665 30 40 FHEB C=CCn1c(CCCCCCC)nnc1SCC(=O)N(CC)CC 408560974 SCDHEAZWPLKWBT-UHFFFAOYSA-N 352.548 3.938 30 40 FHEB Clc1ccc(/C=N\Nc2nncn2/N=C\c2ccc(Cl)cc2)cc1 35188673 RKSMCIUTTMCQDF-NBMXLGERSA-N 359.220 3.913 30 40 FHEB COc1ccc(-c2nnc3sc(/N=C(\O)c4cccs4)nn23)cc1 20486359 XAKIWEPCCUJWNR-UHFFFAOYSA-N 357.420 3.559 30 40 FHEB CN(C)c1ccc(/C=N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 1573821 JDPDRMRHHQTAMK-AWQFTUOYSA-N 361.232 3.835 30 40 FHEB COc1ccc2nc3c(cc(C#N)c4nc5ccc(C)cc5c(=O)n43)cc2c1 3182727 PZBWFSSHWHXROR-UHFFFAOYSA-N 366.380 3.738 30 40 FHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccccc1 4558125 PDZDPNXFQJHFGT-KRWDZBQOSA-N 373.449 3.642 30 40 FHEB O=C(/C=C/c1cn(CN2CCOCC2)c2ccccc12)c1cccs1 20533233 GYFMRXRYHFABBD-BQYQJAHWSA-N 352.459 3.889 30 40 FHEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 20663713 RBXZNQAPAAZHKZ-OCKHKDLRSA-N 360.369 3.643 30 40 FHEB O=C(c1ccc2c(c1)OCCO2)N1CCCS/C1=N\c1ccccc1 2629089 SEDUAQMOCZIGHF-VXPUYCOJSA-N 354.431 3.725 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 852326 KLRXIUIRVCCKFE-GOSISDBHSA-N 355.821 3.867 30 40 FHEB CCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 101674236 FWOBZDGKAIXVGK-IBGZPJMESA-N 367.554 3.512 30 40 FHEB COc1cc(/C=N\O)cc(Br)c1OCc1ccc(F)cc1 100250195 XYURKKSGVYRMOP-LSCVHKIXSA-N 354.175 3.984 30 40 FHEB C=CCOc1ccccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 12951901 JITGSKQGNIMKOJ-UHFFFAOYSA-N 361.445 3.984 30 40 FHEB CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 13142332 ZHYKVAWSYGILCY-UHFFFAOYSA-N 363.552 3.860 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5785144 NZIRHXYSBULUOW-INIZCTEOSA-N 371.780 3.759 30 40 FHEB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc(C#N)c1 7689345 RFAFYBWRIBQTDH-GFCCVEGCSA-N 357.460 3.550 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 32232982 WEKCYBWKFKVNEX-BOPFTXTBSA-N 370.430 3.604 30 40 FHEB C=CCOc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225730906 XXXCBVHMBLNLBU-IRXDYDNUSA-N 361.555 3.906 30 40 FHEB N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCc2ccccc2C1 256048765 WAORQXWWCKORAG-UHFFFAOYSA-N 369.350 3.720 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc1OC 12032529 HRDTYNVHLMQRMO-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(F)cccc2s1 5115670 KFEQVWBRINKWSU-UHFFFAOYSA-N 368.437 3.515 30 40 FHEB CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 28825585 HIFJCPQKFCZDDL-QQLDHBQDSA-N 360.494 3.541 30 40 FHEB in-vitro C=CCOC(=O)Oc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1 1669464 QXJBNDVGMUWOMP-UHFFFAOYSA-N 374.414 3.786 30 40 FHEB C/N=C1/S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1C 4689481 RPLVEXNKRWOQBT-BBNBJWFKSA-N 356.422 3.937 30 40 FHEB N#Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1 6112828 YMGFRVBBCWJTCF-UHFFFAOYSA-N 366.471 3.782 30 40 FHEB CC(C)(C)c1cc[n+](CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 10277521 RMQSSNJLVTUNHF-UHFFFAOYSA-N 351.514 3.753 30 40 FHEB CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O 12442693 TWICHHWCMHTBNR-MOSHPQCFSA-N 365.429 3.881 30 40 FHEB CCCCOC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2)n1 21658751 IXYRMKKRSKTSKQ-GFCCVEGCSA-N 357.435 3.545 30 40 FHEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)o1 33810063 IAZAIVNPYVXZRK-OAHLLOKOSA-N 371.462 3.736 30 40 FHEB N#C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Br 58202562 VLMWYHRNWNBASF-SIFUEBAJSA-N 355.235 3.713 30 40 FHEB COC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 95346027 UBZDIWVELVGWPC-IFMALSPDSA-N 358.526 3.958 30 40 FHEB biogenic Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc4ccccc34)C2=O)c1 408535670 OKLWTORSVJYNBB-SFHVURJKSA-N 371.396 3.750 30 40 FHEB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccc(Cl)cc2)c1Cl 1391146 CXFHMKGETYGQQE-KPSZGOFPSA-N 366.126 3.937 30 40 FHEB C=CCNC(=S)/N=C(\Nc1ccc(Cl)cc1)Nc1nc(C)cc(C)n1 4543694 LRAMNTKIIBTTTC-UHFFFAOYSA-N 374.901 3.687 30 40 FHEB COC(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C#N)c1C 5531603 UVRHOZAQXBNVKU-UHFFFAOYSA-N 364.810 3.629 30 40 FHEB Cc1sc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c(C#N)c1C 6714332 OBAJMCQPOYGCMM-UHFFFAOYSA-N 351.431 3.951 30 40 FHEB Clc1ccccc1CN/N=C/c1cc2c(cc1Br)OCO2 8811612 VPFNLISIBWGBAS-UFWORHAWSA-N 367.630 3.955 30 40 FHEB NC(=O)[C@@]1(c2nc(-c3ccccc3)cs2)O[C@H]1c1ccc(Cl)cc1 9419082 MDXAJMCNTIDUHX-YJBOKZPZSA-N 356.834 3.916 30 40 FHEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1)N1CCCC1 35672583 XZABVKWLYMVMSE-IBGZPJMESA-N 359.433 3.857 30 40 FHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 408609711 QDYMMVCFYITTMH-UHFFFAOYSA-N 368.252 3.815 30 40 FHEB COC(=O)COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cc1 408932216 UXGFJUSCFASCSL-FBHDLOMBSA-N 352.312 3.703 30 40 FHEB O=C1C=C(OCC=C(C(F)(F)F)C(F)(F)F)c2ccccc2C1=O 1713755 OOGQXVQTCYZOFF-UHFFFAOYSA-N 350.214 3.861 30 40 FHEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1cccs1 4899056 RRXCQTIWJNRWFD-QHUXICGISA-N 355.488 3.811 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(C)cc1 6477838 XUZAWERKJNPCPQ-UHFFFAOYSA-N 370.522 3.981 30 40 FHEB COc1ccccc1OCc1nc(C#N)c(NCc2ccc(F)cc2)o1 730240 DDTMFLJGKUJGOZ-UHFFFAOYSA-N 353.353 3.885 30 40 FHEB N=C1C(c2nc3ccccc3s2)=C(O)CN1/N=C/c1cccc(O)c1 102730784 DLTOLMPPPPBMLW-RICWVNQTSA-N 350.403 3.598 30 40 FHEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCCC1 2346778 FZJSFDVRFIWFHY-WQRHYEAKSA-N 366.373 3.512 30 40 FHEB C=C(C)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 3454647 XWBDGJHRENWRNJ-UHFFFAOYSA-N 366.442 3.841 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccnc2ccccc12 18200763 HFGURFLSVGKEPR-MRXNPFEDSA-N 360.417 3.864 30 40 FHEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2)NC2CCCC2)n1 5274186 BKKXKFZWKXRSGQ-UHFFFAOYSA-N 368.510 3.791 30 40 FHEB N#Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 6461142 AKIQFGPJGYAQAU-UHFFFAOYSA-N 371.396 3.828 30 40 FHEB O=[N+]([O-])c1ccc([N+](=O)[O-])c(N/N=C(/c2ccccc2)c2ccncc2)c1 4568400 RBXZZOGLUVLIMD-UZYVYHOESA-N 363.333 3.763 30 40 FHEB Cc1ccc2cc(C#N)c(NCCNC(=O)Nc3ccccc3C)nc2c1 20151176 GDBHJKUKKPPCGL-UHFFFAOYSA-N 359.433 3.957 30 40 FHEB C[C@H]1OCc2c1nc(N)c(C#N)c2-c1cccc(OCc2ccccn2)c1 71388726 YTWKCHSQSJEIFI-CYBMUJFWSA-N 358.401 3.768 30 40 FHEB C#Cc1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1 12940158 MGIUIYWPRXXXHQ-UHFFFAOYSA-N 360.207 3.700 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 14608146 XHODRZGDKXIESP-JDNHERCYSA-N 373.254 3.617 30 40 FHEB Cc1cccc2c(O)c(/C=C/C(=O)c3cc4ccccc4oc3=O)c(=O)[nH]c12 6382717 VACNLVLFIXEHSS-MDZDMXLPSA-N 373.364 3.545 30 40 FHEB CC(C)(C)OC(=O)N(CCCNc1ccc([N+](=O)[O-])cc1C#N)C1CC1 32927028 RXYFUYZVMFMDQP-UHFFFAOYSA-N 360.414 3.668 30 40 FHEB CCN(CC)CCCNc1oc(/C=C/c2ccccc2OC)nc1C#N 7263583 FTAAGHVLRWXFAG-VAWYXSNFSA-N 354.454 3.869 30 40 FHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 8565367 SLFUHXUTAAWJDA-OAHLLOKOSA-N 365.458 3.613 30 40 FHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)Cc2cccs2)c1C#N 871500 QEQDTPRGSNMTGV-UHFFFAOYSA-N 373.503 3.797 30 40 FHEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nnc(C)s3)nc2c1 1354440 YZPVRSAJVYXFQB-UHFFFAOYSA-N 369.475 3.614 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3255169 ASFYCKFUQNFRKA-UHFFFAOYSA-N 366.392 3.691 30 40 FHEB COc1cc2c(cc1/C=C1/S/C(=N\c3cccc(C)c3)NC1=O)OCO2 4472371 LVWXNUXBUOPRBU-CAOOACKPSA-N 368.414 3.624 30 40 FHEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 5861029 OQQDJNIOYLDCOW-AWEZNQCLSA-N 373.503 3.896 30 40 FHEB Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)cc1 6211961 SVOONLMPFOIDRT-MBTVCVBTSA-N 357.866 3.813 30 40 FHEB C=CCNC(=S)Nc1ccc(Br)cc1Br 6238069 ORXFSTRWRAWGSL-UHFFFAOYSA-N 350.079 3.684 30 40 FHEB CC1(C)Cc2cccc(OCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c2O1 6313648 PQXRPTWXDKPOHZ-CQSZACIVSA-N 361.401 3.532 30 40 FHEB COc1cc(/C=C/C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC 6588758 NZRQQKKRZSPWRN-QPJJXVBHSA-N 372.808 3.889 30 40 FHEB CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2ccccc21 7153789 RUCMQRSOOOBAJD-GFCCVEGCSA-N 356.476 3.790 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 8335363 IZCLKOXHQXVAFP-CQSZACIVSA-N 366.417 3.812 30 40 FHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)c1 8410951 YCZHBULNDITXMI-MFOYZWKCSA-N 352.415 3.924 30 40 FHEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C#N)n1C 9052128 BBKLUXNUTHBTOD-DNTJNYDQSA-N 351.288 3.578 30 40 FHEB N#CCc1ccc(NCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 9368581 FYRLVGAHRBMGHG-UHFFFAOYSA-N 370.412 3.716 30 40 FHEB CCn1c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)nc2ccccc21 10651849 VSVRFBZDJUHEGE-UHFFFAOYSA-N 359.389 3.872 30 40 FHEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)cc2)N(C)C1=O 15188415 DEGZRMHXNUZMMB-YGCDDZCOSA-N 371.437 3.724 30 40 FHEB N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 15542291 XIJMFWBCTGNZGJ-NRFANRHFSA-N 369.424 3.538 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 19138074 LNBXOGPZZCLSHB-GOSISDBHSA-N 351.377 3.898 30 40 FHEB Cc1ccsc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21 22608712 FSQMMTFWANCZJS-BZNIZROVSA-N 352.419 3.657 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 23105863 FZXMHWYALSJXFD-SNVBAGLBSA-N 357.382 3.834 30 40 FHEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]12 39351829 HIFJCPQKFCZDDL-JNVJZOOQSA-N 360.494 3.541 30 40 FHEB N#CC1(NC(=O)CNc2ccc(OC(F)(F)F)cc2)CCCCCC1 40061255 NPIUPCRVRHXDPA-UHFFFAOYSA-N 355.360 3.730 30 40 FHEB C=CCOC(=O)c1ccc2[nH]c(-c3cncc(Br)c3)nc2c1 226236938 VYCMDJUYMJWYHY-UHFFFAOYSA-N 358.195 3.730 30 40 FHEB CCOC(=O)c1ccc(N/C(=C\C(=O)C(F)(F)F)c2cccnc2)cc1 408751549 XIIATEPNDMAHGT-GDNBJRDFSA-N 364.323 3.843 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2767227 BTFKUJPWXACZCM-UHFFFAOYSA-N 364.323 3.993 30 40 FHEB COc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)c(OC)c1OC 3272281 OAYKNGQQFQZFAZ-RGVLZGJSSA-N 373.478 3.650 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 7217460 CFNMEJMOTOZJIK-HNNXBMFYSA-N 369.471 3.694 30 40 FHEB CC(=O)N[C@@H](C)c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1 12685840 WSKZQWLAROPZQN-ZDUSSCGKSA-N 358.511 3.613 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 19536675 ZQHIGKGGGJXYLB-FQEVSTJZSA-N 367.445 3.846 30 40 FHEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC)c(C)c(OC)c1 45403609 WJVOLTJTLQPQNY-UHFFFAOYSA-N 352.434 3.936 30 40 FHEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2ccccc2Cl)c1N 225839747 RLAXRJJRSNXIRT-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc[nH]2)C1=O 409137736 XGMVPTLLTZMLFD-PTNGSMBKSA-N 354.431 3.867 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409308781 YLGBKUXUSJZHJY-UHFFFAOYSA-N 356.223 3.604 30 40 FHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 798158 OPCBTWZIBXRBKH-KPLVRAHFSA-N 362.429 3.552 30 40 FHEB Cc1nc(NC(=O)[C@H](C)n2cnc3ccccc32)sc1SCC#N 53650686 JDHMMCNTJSJKEB-NSHDSACASA-N 357.464 3.617 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 12530046 NUKOADAUJNKOSU-UHFFFAOYSA-N 374.425 3.952 30 40 FHEB C=C1C(=O)[C@]23[C@H]4[C@H]5C[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)CCC[C@@]41CO5 100359447 IRLSPLDEXYXVFI-MJTUUWICSA-N 372.505 3.883 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 408916471 CUWUCLVGOVPGQT-GZTJUZNOSA-N 354.406 3.903 30 40 FHEB COC(=O)c1c(C)[nH]c(C2=NN/C(=N\C3CCCCC3)S[C@@H]2C)c1C 7779481 MKXDOXBFSVMKLQ-GFCCVEGCSA-N 362.499 3.536 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 9483822 TUGZBJLXSWEOBG-VOJFVSQTSA-N 366.808 3.940 30 40 FHEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 1666729 SUFJHQFIKDZJAJ-OYSJCRFSSA-N 372.505 3.979 30 40 FHEB Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 873395 KGHJEBZTSROLKA-SNVBAGLBSA-N 372.519 3.882 30 40 FHEB C=CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2347707 LYKNXVCXMSOLOK-UHFFFAOYSA-N 358.401 3.558 30 40 FHEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1ccccc1C(F)(F)F)OCO2 6889478 QWKJCINHAHBALO-FBCYGCLPSA-N 353.256 3.788 30 40 FHEB C=CCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936429 GNOFHTHMXBSQPX-AWEZNQCLSA-N 363.417 3.985 30 40 FHEB C=CCN(Cc1cc(=O)n2ccc(C)cc2n1)Cc1ccc(Cl)s1 16341615 ZGNZMKFAFGVTCU-UHFFFAOYSA-N 359.882 3.906 30 40 FHEB COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(OC)c1 22975980 YYSPMSNEUVFTJH-UHFFFAOYSA-N 363.335 3.504 30 40 FHEB C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1sccc1C#N 25482762 YFZOUJDNNIPXIK-VIFPVBQESA-N 355.341 3.957 30 40 FHEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)cc(Cl)c1OC 96688250 HNECJLOKXSOHHJ-HPCQOMFASA-N 361.854 3.845 30 40 FHEB Cc1csc(C(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)c1 206599624 CFQZSQAMMBSXGF-UHFFFAOYSA-N 354.475 3.997 30 40 FHEB COc1c(/C=C2/Sc3ccccc3C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408718280 HGFXKZHMBQDLFB-VGOFMYFVSA-N 358.331 3.841 30 40 FHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 409101016 OKRMOJCBZFKIBC-SRZZPIQSSA-N 353.357 3.982 30 40 FHEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)/C1=C/C(=O)O 605694958 FYDLRSCAKMBCGV-MFDZNXEESA-N 374.452 3.614 30 40 FHEB CCOc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O 4901483 CZAODXVZROQZHV-LJQANCHMSA-N 367.401 3.588 30 40 FHEB O=C(COc1ccc(Cl)cc1C1CCCCC1)/N=C1/NCCS1 42565841 AOJADYHPUDKMFF-UHFFFAOYSA-N 352.887 3.986 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc(OC)cc2)c1C 3295962 ZUBRVZHOGDIPNQ-DHZHZOJOSA-N 353.418 3.739 30 40 FHEB COC(=O)/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 118926192 ZRBBCVQLZFVRCK-GYUZZIFOSA-N 354.446 3.573 30 40 FHEB O=c1[nH]ncc(N/N=C\c2c(Cl)ccc(Cl)c2Cl)c1Cl 5009445 AHRKCMRXUUHPFV-XFQLMFQHSA-N 352.008 3.830 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3ccccc3)SC2)c1C 5156922 HKZRQNAKIFHTMK-UHFFFAOYSA-N 356.451 3.536 30 40 FHEB aggregator Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] 5163573 AERIEICUYACLGS-UHFFFAOYSA-N 367.471 3.774 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430076 KDMLDDOLWFAANS-UHFFFAOYSA-N 352.434 3.646 30 40 FHEB Cn1nccc1C(=O)/C=C/c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 6925473 LHBQAZAFCQLGAP-FNORWQNLSA-N 371.324 3.536 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c[nH]c2ccccc12 408788487 DHRJGFHAOXNFAR-LJQANCHMSA-N 370.408 3.909 30 40 FHEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(Br)c1)CO2 96993459 FJJLKFUGCVFQBU-WDZFZDKYSA-N 361.191 3.822 30 40 FHEB Cc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] 11334696 PXSFBSXXKKOOCB-BQYQJAHWSA-N 352.390 3.636 30 40 FHEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1[N+](=O)[O-] 98002605 VLFQRXYMQMOGLA-OBGWFSINSA-N 369.487 3.989 30 40 FHEB Cc1nc2n(n1)[C@H](c1ccccc1F)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608795 XRODBECITGZSKO-CWTRNNRKSA-N 364.380 3.734 30 40 FHEB Cc1ccc2nc(NCCNC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 35311774 HCUCXDJHBQEDQI-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccccc2)cc1)S(C)(=O)=O 44901468 WPWYJDADQPOGKE-LJQANCHMSA-N 372.490 3.520 30 40 FHEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226278968 CUBHBVRKLPRTMM-GFCCVEGCSA-N 370.371 3.909 30 40 FHEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 225643514 JNOQANVBTQBXFA-HRCADAONSA-N 362.248 3.529 30 40 FHEB C#CCOc1ccccc1/C(Cl)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5500446 UHCMRSBGVNGZAE-MNDPQUGUSA-N 374.740 3.528 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c2c1 4274328 UPMWIHRMUKRVJU-UHFFFAOYSA-N 372.837 3.827 30 40 FHEB Cc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)n1C1CCCCC1 5319506 VWOPYGWKLMCLKZ-UHFFFAOYSA-N 369.494 3.889 30 40 FHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 6850678 OLHXEBPZAFTYPV-MXSYYCPWSA-N 350.370 3.799 30 40 FHEB biogenic C=CCOc1ccccc1NC(=O)c1nn2c(C)cc(C)nc2c1Cl 12204270 XIXNTCSTYMHALJ-UHFFFAOYSA-N 356.813 3.817 30 40 FHEB N#Cc1ccccc1OS(=O)(=O)c1ccc(Br)cc1Cl 16093740 HDHGLGIVWTZWFI-UHFFFAOYSA-N 372.627 3.742 30 40 FHEB CC1(C)NC(=N)NC(=N)N1c1ccc([C@H](C#N)CCCc2ccccc2)cc1 17039863 NORDHUOLOBRMOI-SFHVURJKSA-N 374.492 3.922 30 40 FHEB CC1=C[C@@H](C)[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@H](C)C1 17112535 NCQAORGGTQHOSV-YVFRDIDPSA-N 364.449 3.964 30 40 FHEB O=C1/C(=C\c2ccc(F)c(F)c2)CS(=O)(=O)c2ccc(Cl)cc21 96931817 PGBCXHMWBFHHTE-YHYXMXQVSA-N 354.761 3.672 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@]132 100743696 AWARIKSVYAKVLG-MRPVESAKSA-N 361.526 3.634 30 40 FHEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102858455 DMUGFGUHBBXARI-UYTDBDHRSA-N 362.410 3.769 30 40 FHEB NN=C1c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 254017995 QBGMRRUHCFHZLC-FQEVSTJZSA-N 354.409 3.563 30 40 FHEB CC[C@H](C)n1ncc(N=C(O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C 329816478 FLEHMNIFRGUWJS-MAUKXSAKSA-N 367.497 3.845 30 40 FHEB CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409107530 RZXZDWULGVNEFJ-RQZCQDPDSA-N 365.187 3.597 30 40 FHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)s1 728506 VBEXFWRLGWGEFT-OAHLLOKOSA-N 361.463 3.547 30 40 FHEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1OC 5586371 JMHAMKGOIZHLCU-ODCIPOBUSA-N 355.316 3.572 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccsc2c1=O 9691179 WLJNWAMPAOVGIL-UHFFFAOYSA-N 371.487 3.683 30 40 FHEB COc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1 27793001 UVDVFRUCUOPZIZ-MRXNPFEDSA-N 368.462 3.998 30 40 FHEB CC1CCN(C(=O)Cn2cc(C#N)c3cc(Br)ccc32)CC1 59109366 RXQWUQGMGNIZQN-UHFFFAOYSA-N 360.255 3.534 30 40 FHEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 65453397 IZIVCBUJMBAPTO-ZDUSSCGKSA-N 374.487 3.594 30 40 FHEB C=CCc1cc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc(OC)c1OC 95997784 HGIGMHRNQNSAIX-UHFFFAOYSA-N 365.433 3.547 30 40 FHEB N#Cc1ccc(COC(=O)c2ccccc2I)cc1 3555995 ZFVZBOLHMICWOE-UHFFFAOYSA-N 363.154 3.520 30 40 FHEB COc1ccc2c(C)cc3nnc(SC[C@@H](C#N)CCC#N)n3c2c1 12544065 XIWSEWVDPDLWKP-CYBMUJFWSA-N 351.435 3.735 30 40 FHEB C#CCOc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1 58023831 ZUERKQOQWGXECO-JLHYYAGUSA-N 356.425 3.619 30 40 FHEB Cc1nnc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)s1 13730453 LDWCZRUEYBPZFX-ITOWYHNOSA-N 355.448 3.562 30 40 FHEB CC1(C)C/C(=N/OC(=O)c2cc3ccccc3oc2=O)c2ccoc2C1 5324070 QZJQNDQMPWGFKN-QNGOZBTKSA-N 351.358 3.920 30 40 FHEB biogenic C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 4657243 MAKPRFDHEXNMEP-UHFFFAOYSA-N 370.474 3.610 30 40 FHEB CN(C(=O)COc1ccc(C2SCCCS2)cc1)C1(C#N)CCC1 66335839 PQXLBAUDNYSRAK-UHFFFAOYSA-N 362.520 3.839 30 40 FHEB C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC)C1=O 5708650 QYIVUKWYLZXIQM-LCYFTJDESA-N 366.236 3.517 30 40 FHEB C=CCc1cc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc(OC)c1O 409210212 JBPCCTTYGIPZJD-JMIUGGIZSA-N 360.797 3.927 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C#N 225773701 AQGVOYAKNCENND-UHFFFAOYSA-N 350.418 3.562 30 40 FHEB N#Cc1c2c(c(NCCCn3ccnc3)n3c1nc1ccccc13)CCC2 5642846 IXXAFFQQBJDILO-UHFFFAOYSA-N 356.433 3.547 30 40 FHEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1[N+](=O)[O-] 18029479 NIPPDMIFFPSYEF-SFHVURJKSA-N 360.369 3.752 30 40 FHEB O=C1CC2(CCCCC2)CC(=O)C1=CNc1ccccc1N1CCCC1=O 101019100 ZDFHDBBBNGTHRB-UHFFFAOYSA-N 366.461 3.992 30 40 FHEB CCOc1ccc2nc(SCC(=O)NC3CCCC3)c(C#N)cc2c1 1354808 HCZIIOQOCXLARI-UHFFFAOYSA-N 355.463 3.656 30 40 FHEB COc1ccc(/C=N/c2ccc(Br)cc2C(=O)O)c(OC)c1 3085720 GKKHROPWWMDIFW-GIJQJNRQSA-N 364.195 3.915 30 40 FHEB COc1ccc(CC/N=C/c2cc(Br)ccc2O)cc1OC 3119277 PACNTPALOWKTHG-YBFXNURJSA-N 364.239 3.834 30 40 FHEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCCC3=CCCCC3)C(=O)O[C@@H]1C2 4074118 FFEKTSIHIGFZST-XPRTXTSQSA-N 373.537 3.994 30 40 FHEB biogenic Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccncc2)cc1 4526626 KPJFJUXLXFZKES-STZFKDTASA-N 351.431 3.941 30 40 FHEB CCc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1 4667450 POFGZJDRQAJRPB-VQHVLOKHSA-N 359.219 3.973 30 40 FHEB aggregator N#Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 6421190 ZRQPYCYBRMGJNW-RMKNXTFCSA-N 374.318 3.772 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccncc3)c2)c1 24776348 FQIHNIUYTNWCIG-UHFFFAOYSA-N 356.381 3.520 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 25281968 RSMIWPVEJONIAD-UHFFFAOYSA-N 354.841 3.770 30 40 FHEB N#CC1(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCCCC1 51797829 ZRYHUZKGKSECBH-KGLIPLIRSA-N 374.403 3.631 30 40 FHEB COc1cc(/C=N/O)cc(Br)c1OCc1cccc(F)c1 408934480 BAVGJDDZUMMVBP-QGMBQPNBSA-N 354.175 3.984 30 40 FHEB O=C1C(=Cc2cccc(I)c2)C(=O)c2ccccc21 409390428 CZUDJHVIPQJWHX-UHFFFAOYSA-N 360.150 3.754 30 40 FHEB C/C(=C\c1ccccc1)[C@@H]1O[C@@]23CCCC[C@H]2[C@@]2(C#N)C(=N)N=C(O3)[C@@]12C#N 102926940 MDLMOOWAUVBLOW-KMXVGUBXSA-N 372.428 3.815 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2C)n1 7977608 LGZLPVNSIRALNI-ZDUSSCGKSA-N 354.387 3.539 30 40 FHEB C=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC 3199876 NOODYJSWXKATKD-UHFFFAOYSA-N 371.458 3.951 30 40 FHEB N#Cc1ccsc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12975873 AKSUQBZKUUHZRR-UHFFFAOYSA-N 373.865 3.764 30 40 FHEB O=C(/C=C/c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 6048223 DLYZZZHMFZXJDM-FMIVXFBMSA-N 359.422 3.506 30 40 FHEB COc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@@H](C(C)C)C3)c1 6673708 VHTJUCJRFIBUMY-QGZVFWFLSA-N 355.463 3.767 30 40 FHEB C=CCOc1ccc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 219643976 KDMHXLPMICUUPN-LJQANCHMSA-N 373.474 3.536 30 40 FHEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225069803 IMBUGYPCAFILSP-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB N#C[C@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCC1 2391012 HOWRUNZNHCBFHH-INIZCTEOSA-N 364.449 3.713 30 40 FHEB N#CCn1c(CSc2nc(-c3ccccc3)c[nH]2)nc2ccccc2c1=O 45537171 FGQLRQJYIHYIGD-UHFFFAOYSA-N 373.441 3.602 30 40 FHEB CCN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@@H]21 97161346 VYUGORKCQLPXFD-HXUWFJFHSA-N 374.444 3.603 30 40 FHEB CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2ccccc21 7153790 RUCMQRSOOOBAJD-LBPRGKRZSA-N 356.476 3.790 30 40 FHEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(C)=O)ccc3C1=O)cn2C 9422245 VEQDWPXHWXPTFP-DNTJNYDQSA-N 363.369 3.728 30 40 FHEB CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)OC)ccc2C1=O 9575471 MWQPBHGEOBWTLI-JFENUBAZSA-N 368.385 3.642 30 40 FHEB COc1ccc(-c2ncc(C(=O)N[C@H](C#N)Cc3ccccc3)s2)cc1 89455370 DFTFDJVZOLLSBU-INIZCTEOSA-N 363.442 3.683 30 40 FHEB COc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1Cl 409013040 MAMBOSZMCLLQLV-KKBVUKDESA-N 363.797 3.960 30 40 FHEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1Br 408706847 GAUUPUDREGWHAI-UHFFFAOYSA-N 355.276 3.864 30 40 FHEB O=C1OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1 169797612 BKHIRBRBRUZLJQ-UHFFFAOYSA-N 360.050 3.880 30 40 FHEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccnc2)C(=O)C1 100004481 FTGCYVFTMWERHW-GOSISDBHSA-N 369.461 3.941 30 40 FHEB N#CCCN(C(=O)CN1CCc2sccc2C1)c1cccc(Cl)c1 57648158 DJEGPTBEWYZGFL-UHFFFAOYSA-N 359.882 3.706 30 40 FHEB COc1ccccc1[C@H](CNc1oc(-c2cccs2)nc1C#N)N(C)C 27562375 XVWSLNNBOBRFFQ-HNNXBMFYSA-N 368.462 3.998 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H](C)OCc2ccccc2)n1 48356078 OELHJIOUFGCUKB-ZDUSSCGKSA-N 352.394 3.674 30 40 FHEB N#Cc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)cc1 12813910 ODIQLCGRHCSYJQ-MRXNPFEDSA-N 361.426 3.872 30 40 FHEB N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)cc1 12808416 DXSLVCUZIHZCTH-GOSISDBHSA-N 361.426 3.548 30 40 FHEB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc21 12943059 VHZIZAIIVYUTRP-UHFFFAOYSA-N 374.429 3.699 30 40 FHEB O=C(O/N=C1/Sc2ccccc2C1=O)c1ccccc1Br 5053591 MWWGWWNSCFQERE-SAPNQHFASA-N 362.204 3.908 30 40 FHEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 8916838 FWMLKQSVOKDPSA-UHFFFAOYSA-N 362.842 3.619 30 40 FHEB C[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1cccc(C#N)c1 8273341 CNPYRFNQHFYNTJ-INIZCTEOSA-N 362.429 3.940 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)c(OC)c1 5376435 QKYRQYOUEQPEFJ-YVLHZVERSA-N 370.430 3.604 30 40 FHEB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1 4926622 DPWACBBXJODIGQ-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1 2224784 FKRVUKDROAPVBB-UHFFFAOYSA-N 352.419 3.564 30 40 FHEB COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3OC)o2)cc1 20761777 HTMDWGPVIOGRMI-OEAKJJBVSA-N 364.401 3.866 30 40 FHEB Cc1ccc(-c2noc(CSCC(=O)Nc3cccc(C#N)c3)n2)cc1 28908147 DMSJVMHDWQKZRE-UHFFFAOYSA-N 364.430 3.789 30 40 FHEB COc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C(C)=O)cc1 4739891 AHGOUJSASNCLMQ-WQZDFCHPSA-N 370.405 3.985 30 40 FHEB N#Cc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409403532 IIPLSYDUVCICCJ-UHFFFAOYSA-N 350.381 3.817 30 40 FHEB Cc1sc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C 408628726 WMRWDKOWZJQGFL-UHFFFAOYSA-N 363.895 3.946 30 40 FHEB COc1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1OC 225627206 CFDQJUZBADWYQH-UHFFFAOYSA-N 369.490 3.689 30 40 FHEB Cc1cccc(O)c1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 3090390 SNWKNGZNSQVMHJ-FRKPEAEDSA-N 351.156 3.828 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1833549 YXDCAEZGBASRPM-JVVDOCDTSA-N 367.496 3.763 30 40 FHEB CCc1nc(C#N)c(N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)o1 28467698 PRRSABQZFMVVMS-SRZZPIQSSA-N 364.361 3.601 30 40 FHEB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccccc1C#N 14076269 JBYNRUSPPYHGAM-CYBMUJFWSA-N 369.494 3.918 30 40 FHEB Cc1ccc(C(=O)OCC#CCSc2nc3ccccc3n2C)cc1 14011245 GJCPOMPQWGYTJW-UHFFFAOYSA-N 350.443 3.834 30 40 FHEB COc1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 5527593 MEPLQFZXHHENRW-FLFQWRMESA-N 370.412 3.914 30 40 FHEB Cc1nc(SCC(=O)N[C@](C)(C#N)C2CC2)c2c(C)c(C)sc2n1 4799437 UMPUUQSTICFODD-QGZVFWFLSA-N 360.508 3.517 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 7217459 CFNMEJMOTOZJIK-OAHLLOKOSA-N 369.471 3.694 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2C#N)C1 7989210 LRLCUUDESWFWKD-BZNIZROVSA-N 366.442 3.985 30 40 FHEB N#C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 218214067 JNOQANVBTQBXFA-OAGGEKHMSA-N 362.248 3.529 30 40 FHEB Cc1ccc(S(=O)(=O)OC2CCC(NCc3ccccc3)CC2)cc1 79436764 LZQBXVFTJCQCRA-UHFFFAOYSA-N 359.491 3.801 30 40 FHEB O=C1Nc2ccc(Cl)cc2/C1=N/Nc1ccc(Br)cc1 223740503 DXJNBSUSBPLWSW-UHFFFAOYSA-N 350.603 3.871 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889799 KZGLQCULDVUKKH-UHFFFAOYSA-N 364.854 3.680 30 40 FHEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(O)/C=C/c1cccc2ccccc12 48534692 RKDJPZRKJIWLSO-VAWYXSNFSA-N 369.446 3.549 30 40 FHEB N=C1S/C(=C\c2ccc(Br)o2)C(=O)[C@H]1c1nccs1 137029617 FMASUBQOTWOFME-YNKQSMSHSA-N 355.238 3.916 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)C(O)=NC1=S 96476869 JXXOEOQIVOLDMS-UVTDQMKNSA-N 356.378 3.739 30 40 FHEB CC(=O)O[C@@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]12 257349146 LTUDQVYYMMOMDZ-PBYYVATASA-N 374.477 3.602 30 40 FHEB O=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)c2cc([N+](=O)[O-])ccc21 1772493181 AIZAVOYHSXQUMD-XGICHPGQSA-N 374.146 3.526 30 40 FHEB COCCNC(=S)N/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2 5119932 LUQRLYLUWJGQNR-CIAFOILYSA-N 372.519 3.729 30 40 FHEB CC1CCN(C2=C(Cl)C(=O)C(N3CCC(C)CC3)=C(Cl)C2=O)CC1 709680 WVWQNDKIZCBGKW-UHFFFAOYSA-N 371.308 3.503 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 6844091 PWWDVVWRWFYOHM-ICSRJNTNSA-N 365.385 3.914 30 40 FHEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)O 4118826 YXJNBYQTPANYQV-UFFVCSGVSA-N 370.430 3.721 30 40 FHEB O=C1O[C@@H](c2cccnc2)OC(c2ccccc2)=C1C(=O)c1ccccc1 5487772 KRRQNKCDPUFIFG-QFIPXVFZSA-N 357.365 3.948 30 40 FHEB N#CCCN(C(=O)CN1CC=C(c2ccccc2)CC1)c1ccccc1F 7456905 OJIINRDKANEAHL-UHFFFAOYSA-N 363.436 3.862 30 40 FHEB Cc1noc(C)c1CN(C(=O)COc1ccc(C#N)cc1)c1ccccc1 11233558 LGJFKYLCNAURPP-UHFFFAOYSA-N 361.401 3.775 30 40 FHEB N#Cc1ccsc1NC(=O)CSc1nnc(Nc2ccccc2)s1 14094298 LITNHKHSGVCZAY-UHFFFAOYSA-N 373.488 3.946 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3cc(C)ccc3C)c3n2CCC3)cc1 27526079 AUGFAOHTAXNKEZ-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2Cl)n1 33325165 QQMMHZUYZVFMCX-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Br)cc1 40268046 ZKXPEWFTDPFPPG-MRXNPFEDSA-N 369.222 3.539 30 40 FHEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2 585107223 RRHLTZCCAOJKEG-JOCHJYFZSA-N 364.493 3.742 30 40 FHEB Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)Cc2ccccc2F)o1 1775977424 ULCQLHXGCVKGHZ-UHFFFAOYSA-N 356.378 3.635 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1063979 NOSNRUDHYCPMGV-SFHVURJKSA-N 370.405 3.514 30 40 FHEB Cc1cc(/N=C(\O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)no1 1777282 JWQVUOSRUBYIOD-VIFPVBQESA-N 372.143 3.766 30 40 FHEB CCC1=[N+](CC(=O)c2ccc(Br)cc2)CCn2c(C)ccc21 1800542 FJTJHYLUEYQAEN-UHFFFAOYSA-N 360.275 3.667 30 40 FHEB NC(=O)COc1ccccc1/C=N/c1ccc(NC(=O)c2ccccc2)cc1 100384240 XGSJIDJKJNGSRB-ZVHZXABRSA-N 373.412 3.554 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(C(C)C)cc4)cnc3c2c1 2275134 HDAKMDNSNOWBOE-FOKLQQMPSA-N 360.417 3.892 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N(C)C 5128026 DPKKMKZTXPSIHJ-XYOKQWHBSA-N 367.445 3.757 30 40 FHEB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 7166993 GZDFWTMPYCTMRR-CYBMUJFWSA-N 374.466 3.804 30 40 FHEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2ccccc21 223718308 DRAIRXHCEZDNJT-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB N#C[C@H]1C2=C(CCCC2)S[C@@H]1NC(=O)c1cc2ccccc2oc1=O 4079223 NHNDVSRWNTYPBW-KSSFIOAISA-N 352.415 3.564 30 40 FHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 13654220 KGHUJANUFCWZNX-PKSBALPTSA-N 358.777 3.897 30 40 FHEB COc1ccc([C@H]2CCCN2CCOc2ccc(C#N)cc2)cc1OC 40067032 BKDXHBMFCZBTIJ-LJQANCHMSA-N 352.434 3.791 30 40 FHEB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)nn(CCC#N)c1C 46710634 BPZNEDJBHQIHAJ-GOSISDBHSA-N 370.522 3.944 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O 107587571 LLNXUKBDADZITC-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(F)cc2)C(=O)C1 3188443 LHIXRJPHIMXKHP-UHFFFAOYSA-N 365.408 3.944 30 40 FHEB Cc1ccc(N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc1Cl 21187660 NCKCTOJHHGDHGG-HMMYKYKNSA-N 352.818 3.781 30 40 FHEB O=C(O)CCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 12761580 XJRSRVYPEONOIA-LFYBBSHMSA-N 354.358 3.525 30 40 FHEB C/C(=N\OCC(=O)Nc1ccc2c(c1)OCCO2)c1cc2ccccc2o1 6312684 ACFZRHKSFQPFIQ-LPYMAVHISA-N 366.373 3.583 30 40 FHEB C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 4436266 CFDRRFHZZDGURP-QGZVFWFLSA-N 368.462 3.587 30 40 FHEB Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 6527239 FHXROYOUTZYIGK-MDZDMXLPSA-N 367.361 3.705 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C(\NC2CCCC2)c2ccc(F)cc2)cc1 5981309 AQDQISBKORWMQU-UHFFFAOYSA-N 360.454 3.802 30 40 FHEB CCN1CCN(c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2F)CC1 7586398 PVMNAEMFIKRREE-RMKNXTFCSA-N 354.425 3.569 30 40 FHEB NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408880089 HBGRKOWFHPGZKU-UFWORHAWSA-N 354.262 3.740 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3ccc4ccncc4c3)CC2)OC1(C)C 1776000390 ZWLKHLITDPTQED-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB Cc1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc2cncn12 1320308257 OPVHZLPUAVEOID-UHFFFAOYSA-N 352.397 3.690 30 40 FHEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(N)=O 9422444 KVUVZBWJBLBAMI-UHFFFAOYSA-N 351.353 3.607 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(O)cc2)C1=O 1212603 ITARRCLTLIMJBH-FOWTUZBSSA-N 367.426 3.936 30 40 FHEB C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1F 6856397 QTGNZQZREUFDBX-UHFFFAOYSA-N 373.819 3.843 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)s1 16977788 DDFONZNAWBFJDP-UHFFFAOYSA-N 373.459 3.737 30 40 FHEB Cc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 21688694 FBULJOVPVDZGOX-IBGZPJMESA-N 356.495 3.636 30 40 FHEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 24154050 KDAMBQNIDDPAFP-MRXNPFEDSA-N 351.362 3.579 30 40 FHEB CN1/C(=C\C(=O)CSC(=S)N2CCCC2)C(C)(C)c2ccccc21 32957666 GIXVOZBGVBUYOB-ATVHPVEESA-N 360.548 3.981 30 40 FHEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c1 39557421 XCOOHCZWHROVOH-KKBVUKDESA-N 361.781 3.729 30 40 FHEB Cc1ccc2c(c1)S[C@@H](C(=O)NCCSCc1ccccc1C#N)C2 40033576 RXPLRMAMVFJZDF-LJQANCHMSA-N 368.527 3.933 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(OC)ccc21 100875874 CZLRZFXXMSQBAX-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@]4(S)C[C@@H](O)C[C@@H](S)[C@]34C)[C@@H]1CC[C@H]2O 118934958 KIBKUPGGOWPDIJ-WGNZAZMQSA-N 356.597 3.712 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 1417200 XOCITZHOGXQKKR-UHFFFAOYSA-N 365.462 3.565 30 40 FHEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1833547 YXDCAEZGBASRPM-DZBQEORWSA-N 367.496 3.763 30 40 FHEB CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2370900 MCYFJJSKMSILGQ-MRXNPFEDSA-N 366.465 3.817 30 40 FHEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 4863920 YMYHSYDYLFVGSA-GOSISDBHSA-N 360.369 3.766 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)n(Cc2ccco2)c1C 9834314 SETORQVIJKPDKP-GJZGRUSLSA-N 368.481 3.534 30 40 FHEB CCCCCC/C=N/Nc1nnc(Cc2ccc(OC)c(OC)c2)c(O)n1 38140870 RDPQHTPOJFCVIK-RGVLZGJSSA-N 373.457 3.553 30 40 FHEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1nc(-c2cccs2)cs1 44827543 FEFGADKCYPFBEG-FLIBITNWSA-N 354.412 3.969 30 40 FHEB C=CCc1cc(C(=O)N[C@@H](C)CCc2cccn2C)cc(OC)c1OC 76041125 BGQVKVHQUABLIN-HNNXBMFYSA-N 356.466 3.522 30 40 FHEB N#CCSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408750077 KGMURFUGWWCXIP-VXGBXAGGSA-N 357.460 3.592 30 40 FHEB N#Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4ccccc4n3)CCO2)cc1 1208065807 PPWDUIJFUNFOGF-IBGZPJMESA-N 358.401 3.712 30 40 FHEB CN1CCN(c2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)CC1 2421444 IVCNJSJNRODFAW-UHFFFAOYSA-N 374.444 3.544 30 40 FHEB CN1CCN(c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)CC1 2581637 LPTQFHDOZHHZPQ-UHFFFAOYSA-N 367.456 3.778 30 40 FHEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 13306997 OYUYWMAURHIVST-YBFXNURJSA-N 361.785 3.541 30 40 FHEB COc1cc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc1OC 13691246 ZPAXSTJJMCGASX-SFHVURJKSA-N 370.405 3.573 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)cc3C)c3n2CCC3)cc1 13770273 VGDAISMLRIMYHC-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB Cc1cc(C)nc(N/N=C\C2=C(O)C[C@H](c3ccc(F)cc3)CC2=O)n1 13841705 UWJSHNXLMLDXFZ-LKEIMFIWSA-N 354.385 3.589 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)C2 17256029 XGOGZOBCYBIIOZ-NSIKDUERSA-N 370.401 3.552 30 40 FHEB biogenic Cc1ccc(-n2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)n2)cc1 33428920 BSZHVIUEIMRBFA-UHFFFAOYSA-N 357.461 3.907 30 40 FHEB Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 41560235 HLMCJXLDTSQZPY-GOSISDBHSA-N 371.444 3.566 30 40 FHEB Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(-c2ccc(Cl)cc2)n1 66247706 FVHZWIDWXZTMLW-UHFFFAOYSA-N 372.837 3.507 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218342209 CBSWNRDHHHGICS-IAGOWNOFSA-N 356.834 3.622 30 40 FHEB C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408959577 BHYUWQFPOKONQD-LGMDPLHJSA-N 353.447 3.766 30 40 FHEB C=CCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2108572 JTQSRNNMFYLABS-ZVQQDINOSA-N 360.457 3.889 30 40 FHEB biogenic O=C1/C(=C/c2ccccc2I)COc2ccccc21 3169169 HHLSVGWAXALEOR-FMIVXFBMSA-N 362.166 3.950 30 40 FHEB Cc1sc2nc(SCC#N)n(CCc3ccccc3)c(=O)c2c1C 4166737 AZXKPMWEVZTUOM-UHFFFAOYSA-N 355.488 3.933 30 40 FHEB CC[C@@]1(C)Cc2c(sc3nc(NN=C(C)C)n(C)c(=O)c23)CS1 5218560 LXLXJTMICICJPS-INIZCTEOSA-N 350.513 3.761 30 40 FHEB C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1cccc(C#N)c1 5309936 AJPLMMVSZHSOAB-SECBINFHSA-N 357.826 3.602 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 5408130 SMDVWCMQSHYOCE-QGZVFWFLSA-N 370.836 3.969 30 40 FHEB N#C[C@@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccccn1 5571970 KVEOGMQRHCVNOL-GALDBLJUSA-N 367.455 3.628 30 40 FHEB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCC#N 7165611 URCNGHHTNFGKDI-ATVHPVEESA-N 365.414 3.680 30 40 FHEB CN(/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccc(O)cc1 12524682 WUQOBLLHKQLYFX-VHEBQXMUSA-N 372.471 3.726 30 40 FHEB CC(C)(C)N/C(=N\S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 19911262 HMSLYRHYBIWISB-UHFFFAOYSA-N 357.690 3.532 30 40 FHEB Cc1ccc(S(=O)(=O)OCCc2nc(-c3ccccc3)oc2C)cc1 38842698 QGNITQXBLBMGSS-UHFFFAOYSA-N 357.431 3.906 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364488 WEJQKFKYEOGSPU-GOSISDBHSA-N 355.397 3.717 30 40 FHEB CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 57878129 VTWLZJNCEFUYFH-KRWDZBQOSA-N 365.385 3.510 30 40 FHEB O=S(=O)(C#Cc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 84517736 SXMFIOOGCAXQRY-KRWDZBQOSA-N 368.483 3.772 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 95974325 ZOILYAKJOJOCBF-BEFAXECRSA-N 352.409 3.535 30 40 FHEB N#Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211360 FFVCKPREVCULRV-UHFFFAOYSA-N 369.384 3.715 30 40 FHEB C=CCOc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 225796548 VHLGIOBYIIXQEW-UHFFFAOYSA-N 355.507 3.983 30 40 FHEB NC(=O)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409219018 MIEIPKLHARBCDI-FBCYGCLPSA-N 368.176 3.516 30 40 FHEB CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2195260 DPKMVDJFCASFAW-INIZCTEOSA-N 366.465 3.817 30 40 FHEB C/C(=N\OCO/N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4314591 XKMDRLSRYKKHMY-KLCVKJMQSA-N 372.337 3.642 30 40 FHEB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1 8075879 VPXYPLWYFUDEPP-FQEVSTJZSA-N 370.474 3.873 30 40 FHEB Cc1cc(SCC(=O)N(CCC#N)CCC#N)nc2c(C)cccc12 9762654 VDMNIGVAKWKNMO-UHFFFAOYSA-N 352.463 3.600 30 40 FHEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\C=C\c1ccco1 409137253 WEIUTEJERPPTPD-NQDFZQDQSA-N 358.806 3.890 30 40 FHEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2cccc(F)c2N1C1CSC1 223756724 CGTCXQPNXKQRDW-QNGOZBTKSA-N 361.829 3.757 30 40 FHEB Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(NCc3ccccc3)nc12 100928312 PPNYPQQFOZJVEX-HZHRSRAPSA-N 372.428 3.827 30 40 FHEB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 2272969 NERQYVHPVJYICX-UHFFFAOYSA-N 371.487 3.634 30 40 FHEB biogenic CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C#N)c1 5510375 RVICCTMQDUEBSQ-UHFFFAOYSA-N 362.216 3.576 30 40 FHEB C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nc2ccccc21 8565504 OHQBAJFFJJMQKA-UHFFFAOYSA-N 354.460 3.813 30 40 FHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 8572273 VEFJZZYARZSOGN-ZDUSSCGKSA-N 372.494 3.731 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/C3CCCCC3)NC2=O)c(C)c1 12447092 MVULDTPTSYKQIO-MRXNPFEDSA-N 359.495 3.552 30 40 FHEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(N2CCCC2)o1 15224374 XUAGCAQPRHCZHT-PTNGSMBKSA-N 357.410 3.911 30 40 FHEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 16687950 NTTZIUYNOHNEEB-XZGNNNQISA-N 373.792 3.972 30 40 FHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 100765434 PYWSSPWHKQFDSS-NHCUHLMSSA-N 365.448 3.852 30 40 FHEB C=CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101156792 VWGDIOVZCSTQCC-UHFFFAOYSA-N 364.474 3.731 30 40 FHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(O)c3)S2)cc1 408953146 OLYUFMWKZLSFPY-GZTJUZNOSA-N 370.430 3.691 30 40 FHEB N#Cc1ccc(OC[C@@H](O)CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 558733738 CRMQBPMLRKOHIZ-LRSLUSHPSA-N 362.473 3.709 30 40 FHEB COc1ccccc1C1(CNc2snc(Cl)c2C#N)CCOCC1 57150165 UXBOCAMGTMZDMW-UHFFFAOYSA-N 363.870 3.837 30 40 FHEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cc(C)cc(Br)c1O2 100490121 PCHZSZZJWNDIIA-OAHLLOKOSA-N 352.184 3.551 30 40 FHEB CC(C)CC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 12889014 QIZZXJNZQDDXSB-UHFFFAOYSA-N 361.489 3.916 30 40 FHEB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncccc1C#N 12816616 NDGYHEJLRAWVCS-UHFFFAOYSA-N 368.746 3.700 30 40 FHEB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(C#N)cc1F 16284456 YIIONDUWFQMEEG-UHFFFAOYSA-N 371.375 3.992 30 40 FHEB CCOC(=O)[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 390823096 SIJWIHVPJIPJGZ-GSVOUGTGSA-N 374.121 3.991 30 40 FHEB C[C@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 52150681 QUIIWNIRJIQLLX-NSHDSACASA-N 370.474 3.725 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1 13424150 RJQSHJFSUNZCAR-GDNBJRDFSA-N 356.378 3.504 30 40 FHEB CCC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 5398018 MGGKYGSPRJNPIV-UFWORHAWSA-N 354.357 3.623 30 40 FHEB CCOc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 4863601 IXQLBCSCQSZXMS-UHFFFAOYSA-N 352.500 3.956 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc([N+](=O)[O-])ccc21 100875425 YILGJHKJOMJRIL-ZPHPHTNESA-N 371.805 3.639 30 40 FHEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 100744898 JQWISHUBSOEHDO-LSWJPFSZSA-N 370.513 3.564 30 40 FHEB biogenic O=S(=O)(c1ccccc1)N(C[C@H]1CO1)c1cc(Cl)ccc1Cl 864101 IPVUIJQKXFOMCB-LBPRGKRZSA-N 358.246 3.588 30 40 FHEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCOCC2)n1 7995310 USBRWKLAVHOQEH-UHFFFAOYSA-N 368.506 3.871 30 40 FHEB C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(OC)cc1 8924724 COZJZKMLXMOFDJ-AWEZNQCLSA-N 353.451 3.675 30 40 FHEB N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)cc1 29983982 YUIDZLOJSIAQEB-UHFFFAOYSA-N 359.429 3.653 30 40 FHEB COc1ccc(OC)c(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c1 96592063 HDXRUXWTHRWOJB-KFBYJWCXSA-N 354.431 3.938 30 40 FHEB CCOC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218470238 XCRYNPIESBCHRL-AABGKKOBSA-N 373.449 3.620 30 40 FHEB C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1 2228085 GYNSLVHXMIHUQG-SFHVURJKSA-N 361.397 3.847 30 40 FHEB Cc1ccc(CCC2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 29168379 XFUHRZPKZHXNRY-QFIPXVFZSA-N 355.526 3.694 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)c1ccccc1 4028400 JQPOKDQOUBIXDQ-VWOPSUBDSA-N 369.505 3.864 30 40 FHEB biogenic O=C(O)c1ccc(COc2ccc(/C=N/O)cc2Br)cc1 409075669 ZTBOYAMMUYFATL-CAOOACKPSA-N 350.168 3.534 30 40 FHEB Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1Cl 409250126 MJRPCUROFAQULW-LPYMAVHISA-N 372.852 3.637 30 40 FHEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225028936 OHVDXIQLYMBBPB-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C3CCCCC3)n2)o1 223663429 ZQKAOXFHRKTADN-UHFFFAOYSA-N 372.450 3.650 30 40 FHEB C=CCN(c1ccc(C(=O)N[C@H](C)CC)cc1)S(=O)(=O)c1ccccc1 260565648 RMDUHGQNLOSALN-MRXNPFEDSA-N 372.490 3.596 30 40 FHEB N#C[C@H]1CCCC[C@@H]1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 598097872 VIOBJVWQAMXCQA-ABAIWWIYSA-N 365.246 3.818 30 40 FHEB CN(c1cccc(/N=C/c2ccc(Br)cc2)c1)S(C)(=O)=O 19855650 IDVTXMHFOQYRCA-GZTJUZNOSA-N 367.268 3.596 30 40 FHEB O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc(Cl)c1Cl 4075920 JZVJZNZVGCIPCX-VGTRTNLYSA-N 368.245 3.751 30 40 FHEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 6026493 GWOGPWJPRVJEPR-AWQFTUOYSA-N 352.866 3.705 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C 13684550 NXFUKLVEGGVDEV-UHFFFAOYSA-N 352.434 3.545 30 40 FHEB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(N)=S)cc1 36482227 IJKDJLBQSBSZGM-UUYOSTAYSA-N 363.490 3.830 30 40 FHEB CCCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269500 FRDRLFIYLNNXAG-UHFFFAOYSA-N 352.463 3.676 30 40 FHEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c2ccccc2n1 2627449 WLYHJSVZWCHNOW-UHFFFAOYSA-N 373.412 3.647 30 40 FHEB C=CCn1c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721385 YXDBITPMJHLGNN-CQSZACIVSA-N 365.433 3.731 30 40 FHEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1CCCCCC1 3167623 LJDGJWABWVNGFT-JCMHNJIXSA-N 357.376 3.870 30 40 FHEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 4681667 NQFHGJRZBCMHGD-MEUCICPISA-N 373.865 3.930 30 40 FHEB CCOc1ccc2nc3c(cc2c1)CN(C[C@H]1CCCO1)/C(=N\C)S3 4858468 BVZGSEVLQHXUDI-ZBBYCGENSA-N 357.479 3.706 30 40 FHEB CN(C)c1cc[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 4902413 MNBGNEFSBGVZPU-UHFFFAOYSA-O 359.664 3.639 30 40 FHEB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C3CCCCC3)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 6950404 FHTQYKIKZYQVQL-KSYRLKCISA-N 372.461 3.522 30 40 FHEB biogenic CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2c1N 20065864 MFMCAEQOLVTEJK-UHFFFAOYSA-N 372.837 3.829 30 40 FHEB COc1c2c(cc3c1[C@H](C/C(=N/O)[C@H]1CC=C(C)CC1)N(C)CC3)OCO2 20411770 LURJWDVAWXQBDF-GFWBCYJCSA-N 372.465 3.920 30 40 FHEB biogenic O=C(O)c1ccc(N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 20925678 FAQKJPQXPGSKAC-HIXSDJFHSA-N 371.396 3.748 30 40 FHEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1)N1CCCC1 35672580 XZABVKWLYMVMSE-LJQANCHMSA-N 359.433 3.857 30 40 FHEB N#CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38849862 VHECHNKSJRALSU-GOSISDBHSA-N 351.425 3.742 30 40 FHEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C1\O[C@H]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)C1=O 100367433 RSIBIUSOHOXXOW-JJHNRFNVSA-N 370.489 3.875 30 40 FHEB COC(=O)c1cccc(/N=C/c2cc(Br)c(N(C)C)o2)c1C 408857849 WYVFAXRYWWHQCI-GIJQJNRQSA-N 365.227 3.954 30 40 FHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)s1 728507 VBEXFWRLGWGEFT-HNNXBMFYSA-N 361.463 3.547 30 40 FHEB C(=N\N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)\c1cccnc1 6474427 JKMOIAOMXPKXFO-KJFMIGLASA-N 372.472 3.950 30 40 FHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1cccs1 6720030 FGGSSOSKJPCBDS-PBHICJAKSA-N 369.442 3.505 30 40 FHEB CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)o2)c1 7604781 BEBNUSOJNSPXRC-UHFFFAOYSA-N 350.403 3.859 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)c3ccccc3C1=N2 19832071 UTFDOICSYNMKMM-CTNGQTDRSA-N 371.392 3.821 30 40 FHEB Cc1nc(C)c(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)n1 26125277 YAWGPDAKKDDSEC-UHFFFAOYSA-N 357.826 3.961 30 40 FHEB CCc1sc(/C(O)=N/S(=O)(=O)c2ccc(OC)c(C)c2)cc1C 60044032 INIIWPIAUACYQK-UHFFFAOYSA-N 353.465 3.629 30 40 FHEB Cn1c([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc2ccccc21 97162340 SZWLTIVDLUEAMB-LLVKDONJSA-N 354.753 3.625 30 40 FHEB C=CC[Sn](Br)(Br)CC=C 195770671 YLKVXRKJVMGRRR-UHFFFAOYSA-L 360.665 3.590 30 40 FHEB O=[N+]([O-])c1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409071569 HGUFXNURXLJRDV-CHHVJCJISA-N 366.127 3.722 30 40 FHEB O=C1Nc2ccc(F)cc2/C1=C/C(=O)c1ccc(Br)s1 1129824 JXBXHXQSOXEXKO-TWGQIWQCSA-N 352.184 3.868 30 40 FHEB COc1ccc([N+](=O)[O-])cc1OCc1c(C#N)c(C)nn1-c1ccccc1 25075850 LOEOMUGUMWAOMF-UHFFFAOYSA-N 364.361 3.548 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 58025017 FVZCUZHIUJILGW-UHFFFAOYSA-N 370.424 3.611 30 40 FHEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccs1 5091987 RFPZWGLFBFDHNL-CPNJWEJPSA-N 365.466 3.723 30 40 FHEB CC(C)=C[C@H]1[C@H](/C(O)=N/S(=O)(=O)c2cccc3nsnc23)C1(C)C 71808806 HNLRTLJMQIIPHU-GXFFZTMASA-N 365.480 3.575 30 40 FHEB C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409138546 DNEGXJQKAHDYGP-BOPFTXTBSA-N 355.825 3.826 30 40 FHEB CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)c(OCC)c1 20195996 BLGPBJKPEOCWFT-HYARGMPZSA-N 358.438 3.625 30 40 FHEB N#Cc1cc(F)c(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 89762084 HHSBAKDBWDHTGU-CQSZACIVSA-N 357.408 3.538 30 40 FHEB C=CCOc1c(/C=C2/N=C(c3ccccc3F)OC2=O)cccc1OC 5000798 YITFVMNIXTZGIP-FOWTUZBSSA-N 353.349 3.744 30 40 FHEB N#Cc1ccc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)nc1 585531975 JJTDEQLSWWSHPW-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 5901085 SMHWVUGKYYYCDK-LPXFMOJISA-N 368.385 3.642 30 40 FHEB biogenic CO/C=C(/C(=O)OC)c1ccccc1Oc1snc(Cl)c1C#N 687891 PBGJCFSMUAPHGV-DHZHZOJOSA-N 350.783 3.621 30 40 FHEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O 1397528 JMIJTHHXKKUXDO-UHFFFAOYSA-N 351.855 3.527 30 40 FHEB COc1ccccc1CNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 2620284 MDVLOCAXPASKBU-UHFFFAOYSA-N 372.424 3.929 30 40 FHEB COC(=O)CCCCCCC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5538957 MGSOORHRAPSCTE-GZTJUZNOSA-N 366.374 3.804 30 40 FHEB CCOc1cc(/C=N/Nc2ncnc3sc4c(c23)CCC4)ccc1O 5718535 SGIYREUZVPTIMW-ZVBGSRNCSA-N 354.435 3.730 30 40 FHEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5841374 HUBURKFCGWJWDM-VXLYETTFSA-N 357.366 3.654 30 40 FHEB CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 6084394 QYIUQJJLSCGBBN-MDWZMJQESA-N 353.418 3.536 30 40 FHEB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C#N 7032657 JHHZACIPHSGVEB-JTQLQIEISA-N 363.186 3.866 30 40 FHEB Cn1ccnc1C(=O)c1cc(Sc2ncccc2C#N)nc2ccccc12 7738663 CLBBIJFUCVTWFC-UHFFFAOYSA-N 371.425 3.617 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 8328895 MGBJRWSNEJQZHC-MRXNPFEDSA-N 351.431 3.506 30 40 FHEB C=CCOc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1OC 8470155 OJZITJARCRSSTH-UHFFFAOYSA-N 361.825 3.932 30 40 FHEB CCCCCCCCc1c(O)nc(SCCN(CC)CC)[nH]c1=O 97951553 ZRVCEPHXDVJJOQ-UHFFFAOYSA-N 355.548 3.812 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218470313 XCRYNPIESBCHRL-HSALFYBXSA-N 373.449 3.620 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OC(C)C)c(Br)c2)C(=O)N1C 408930028 RBOFNMSAEIRODE-NWBBQHRKSA-N 369.284 3.768 30 40 FHEB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl 3457577 VBQCGVDQLXNBOM-NSHDSACASA-N 359.813 3.668 30 40 FHEB Cc1cccc2c1NC(=O)/C2=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O 4470415 DALYBBDHSVAYCX-SQFISAMPSA-N 369.833 3.862 30 40 FHEB CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 6628216 MKFVWUOFLDUAKS-UHFFFAOYSA-N 363.446 3.567 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc(-c2ccccc2)no1 7672419 AJQGIUDWFBLFOE-UHFFFAOYSA-N 374.356 3.657 30 40 FHEB CN(CC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 8165467 UYMPDMKRLRCSML-UHFFFAOYSA-N 370.297 3.514 30 40 FHEB N#Cc1c(NC(=O)CSc2ncc3ccccn23)sc2c1CCCC2 8709821 QCADHFBVEMGEQB-UHFFFAOYSA-N 368.487 3.877 30 40 FHEB N#CCCN(CCC#N)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 14086592 DMZLCGASISFCOT-UHFFFAOYSA-N 370.457 3.642 30 40 FHEB C/C(COc1ccc2c(C)cc(=O)oc2c1)=N/Nc1ccc([N+](=O)[O-])cc1 15938334 HBXIHJZNQRTVJB-MOSHPQCFSA-N 367.361 3.876 30 40 FHEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1 19682254 JGQSQTHHVFYQNZ-KOEQRZSOSA-N 354.457 3.803 30 40 FHEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 78547427 SEXYPGWFFSDXDX-INIZCTEOSA-N 374.444 3.745 30 40 FHEB C=CCN(C(=O)c1cncc(I)c1)c1ccccc1 95975710 NXPKVKKJBIGVPA-UHFFFAOYSA-N 364.186 3.519 30 40 FHEB O=C(O)/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 97949873 QCNGZWCULVQJNP-QPHDTYRISA-N 356.087 3.662 30 40 FHEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2C/C(=C/CCCC(=O)O)C[C@H]21 252286727 HIFJCPQKFCZDDL-HHVFENFASA-N 360.494 3.541 30 40 FHEB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC#N 408718787 JMSZLLIJIBVMFE-SFQUDFHCSA-N 366.398 3.838 30 40 FHEB Cc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)c(C)n1C 409136991 ZISORVFKQNIROE-DHDCSXOGSA-N 373.865 3.696 30 40 FHEB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4611769 KQWSFSCGHQOOKF-YUTCNCBUSA-N 358.463 3.740 30 40 FHEB C1CCC(=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 6295529 VCEAPGRORRSFFY-UHFFFAOYSA-N 357.506 3.584 30 40 FHEB COc1cc(/C=N/Nc2ccccn2)ccc1OC(=O)c1ccccc1F 7993992 MPALHVIUUJMFAD-YDZHTSKRSA-N 365.364 3.895 30 40 FHEB CCc1cc2c(SCC(=O)Nc3ccc(C#N)cc3)ncnc2s1 3260691 XQPXLJCXTOPLGN-UHFFFAOYSA-N 354.460 3.856 30 40 FHEB COc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cn1 408806936 BQASGFVCCAFZKF-YVLHZVERSA-N 350.216 3.797 30 40 FHEB COc1ccc(Br)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408594169 SRCWENYKJDQSMU-RQZCQDPDSA-N 365.183 3.917 30 40 FHEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408967760 UPDMQLZYNKOZRN-LPYMAVHISA-N 367.474 3.801 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218348362 BIBCGVOYESDXBK-MOPGFXCFSA-N 350.443 3.531 30 40 FHEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2F)c1 225860150 BKCOGFRFRPUAME-UHFFFAOYSA-N 362.408 3.619 30 40 FHEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224654460 BQJSBPMRFUDRPI-UHFFFAOYSA-N 353.390 3.663 30 40 FHEB CN(Cc1ccccc1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 687751948 DJEVIIAIHWWDKP-UHFFFAOYSA-N 366.270 3.650 30 40 FHEB C/C(=N/OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 13139485 DENAHPNXSCBFQK-NYAPKIOYSA-N 358.266 3.761 30 40 FHEB O=[N+]([O-])c1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 1473734 IFEJIKFCNQJTSJ-MFOYZWKCSA-N 359.798 3.678 30 40 FHEB COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1O 13557217 XIZNZWKPUVVKDH-OQLLNIDSSA-N 360.822 3.946 30 40 FHEB O=C1/C(=N/Nc2ccccc2O)C(c2ccccc2)=NN1c1ccccc1 100005872 RZVOKVQKBDAHCP-BSYVCWPDSA-N 356.385 3.611 30 40 FHEB COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2ccccc2o1 41544100 NCSPCPFNSDCVKF-AWEZNQCLSA-N 358.357 3.512 30 40 FHEB CC1(C)Cc2c(sc(NC(=O)COc3ccccc3)c2C#N)C(C)(C)N1 894749 MRGUKYCHZGCUBQ-UHFFFAOYSA-N 369.490 3.797 30 40 FHEB COc1ccc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)cc1 3222441 FMUMNKYJWYBDNW-UHFFFAOYSA-N 365.414 3.708 30 40 FHEB COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1 2484554 DNUXKAVGOKGBMX-UHFFFAOYSA-N 367.380 3.928 30 40 FHEB aggregator Cc1cc(SCC(=O)NCC(C)C)n2c(nc3ccccc32)c1C#N 13286735 ZTTWDVKVITVSGR-UHFFFAOYSA-N 352.463 3.532 30 40 FHEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c1 4712256 ZWXPMRDMEDVMDD-VCHYOVAHSA-N 353.294 3.604 30 40 FHEB CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O 408813288 PCYCYYIWYQMXDW-YVLHZVERSA-N 350.399 3.803 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102800922 YSFUZBLCESUGLH-LFVOPCPISA-N 356.381 3.708 30 40 FHEB C=CCc1cc(/C=N/c2ccc(C(C)=O)cc2)cc(OC)c1OCC(=O)O 59302285 GSBSELZVXKDFEI-WSDLNYQXSA-N 367.401 3.840 30 40 FHEB CCN1CCN(c2oc(C(c3ccccc3)c3ccccc3)nc2C#N)CC1 27562274 NYGNLLKWVXHKBE-UHFFFAOYSA-N 372.472 3.868 30 40 FHEB S=C(NCCc1ccccc1)N1CCS/C1=N\CCc1ccccc1 5937685 VZUMPXUBHWSSSP-XDOYNYLZSA-N 369.559 3.751 30 40 FHEB CCOC(=O)/C(=N\Nc1ncnc2ccc(Cl)cc12)c1ccc(C)cc1 98053040 VFBDJLFERIWOCP-QJOMJCCJSA-N 368.824 3.971 30 40 FHEB CC(C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 5633302 VTMBQXBMZVAOJR-GJZGRUSLSA-N 372.490 3.971 30 40 FHEB CCc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165158 LLANKAMJSZIZFB-QRWLVFNGSA-N 360.417 3.849 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 1052104 TYINMNODWKHVTF-INIZCTEOSA-N 355.434 3.566 30 40 FHEB COc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c1 32106427 GFHJZDSEDRVTGU-UHFFFAOYSA-N 365.433 3.591 30 40 FHEB O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])n1 1056416 WEUDMPKDCOMRRO-IAQYHMDHSA-N 372.431 3.691 30 40 FHEB COc1cc(/C=C/C(=O)NCc2ccc(Cl)cc2)ccc1OCC#N 2725783 ITQORRCPJPDGHL-WEVVVXLNSA-N 356.809 3.581 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4ccco4)nc13)O2 5346804 KOJIOEXRFFUSTD-INIZCTEOSA-N 374.356 3.509 30 40 FHEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1 6275712 BBPAWXOTLVIEKP-DJKKODMXSA-N 361.854 3.938 30 40 FHEB C=CCOc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 8037615 MISAWFJRHFPBOY-UHFFFAOYSA-N 368.521 3.768 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1 22015880 JPPFAXYFXOHVJM-OAQYLSRUSA-N 366.509 3.946 30 40 FHEB COc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1 33360510 NZMLRIIZDIXPHY-LNVKXUELSA-N 363.461 3.852 30 40 FHEB N#CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38849863 VHECHNKSJRALSU-SFHVURJKSA-N 351.425 3.742 30 40 FHEB C#CCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 54993583 FLFCRQAKDWAKPJ-UHFFFAOYSA-N 357.369 3.530 30 40 FHEB C[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 58209056 JGTZDHSKTWPOQI-VKUYVZBCSA-N 362.364 3.638 30 40 FHEB N#Cc1c(NC(=O)CSc2nncs2)sc2c1CCCCCC2 79124072 LOHIHEYTMBAGPA-UHFFFAOYSA-N 364.521 3.861 30 40 FHEB N#Cc1ccc(-n2nccc2NC(=O)CCc2cc(F)ccc2F)cc1 112830455 HJAAMAKULCXYDD-UHFFFAOYSA-N 352.344 3.593 30 40 FHEB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4611772 KQWSFSCGHQOOKF-UBHSHLNASA-N 358.463 3.740 30 40 FHEB COC(=O)Cn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10119163 SHIMXRYESBBZHK-FSJBWODESA-N 369.852 3.900 30 40 FHEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1ccccc1F 5483437 XYWNAEZXVSRHED-AWQFTUOYSA-N 358.398 3.550 30 40 FHEB COc1ccccc1/C=C/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O 5824903 JLZMESZGDXFGGV-GIRMVSSCSA-N 350.370 3.835 30 40 FHEB biogenic COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1 5866177 JBJPKTSNMVGEJF-KRWDZBQOSA-N 356.809 3.859 30 40 FHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 5923834 LYVFGKJTONQQQX-CQSZACIVSA-N 373.503 3.898 30 40 FHEB CCOc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1O 408961452 MLCKINWMOJYGGL-LFIBNONCSA-N 354.431 3.991 30 40 FHEB Cc1cc(NC[C@@H](O)c2ccccc2F)n2c(nc3ccccc32)c1C#N 71887022 NAMZNXDMHHNOQU-LJQANCHMSA-N 360.392 3.952 30 40 FHEB Cn1c(C2=C(N)N(c3cc(Cl)cc(Cl)c3)CC2=O)nc2ccccc21 5182945 QIYWUWXMBBNJTN-UHFFFAOYSA-N 373.243 3.597 30 40 FHEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 12868570 PZLQYEKBMYNJDH-ZDLGFXPLSA-N 366.369 3.651 30 40 FHEB biogenic N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 15542290 XIJMFWBCTGNZGJ-OAQYLSRUSA-N 369.424 3.538 30 40 FHEB N=C(/N=c1/nc2ccccc2c(O)[nH]1)/N=C/c1ccc(Cl)cc1Cl 18130930 GBKGKBUVVKSIQK-DNTJNYDQSA-N 360.204 3.530 30 40 FHEB CC(C)O[P@](=O)(C1=C(O)C(=O)C(C(C)(C)C)=CC1=O)c1ccccc1 1446117 BDNUFCZNBOTXEB-VWLOTQADSA-N 362.362 3.909 30 40 FHEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2ccc(O)cc2)cc1 1575304 VYXQVADCBJXOOO-OEAKJJBVSA-N 355.397 3.960 30 40 FHEB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6882215 FXERTECWEPGMKG-CJNGLKHVSA-N 367.836 3.760 30 40 FHEB Cc1cc(N(CCC#N)C(=O)COC(=O)c2occc2C)ccc1Cl 11580374 FYLAZKHUSYGGMA-UHFFFAOYSA-N 360.797 3.654 30 40 FHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc(F)c1 22608208 PYSXDHGJROEYHX-XLKFXECMSA-N 366.318 3.704 30 40 FHEB Cc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c1C 22961917 KSFSPSKEPPYWIK-MRXNPFEDSA-N 369.446 3.606 30 40 FHEB CCCS(=O)(=O)Nc1cccc(NCc2cccc(C#N)c2F)c1C 95460371 KMOIXDQTKORDFX-UHFFFAOYSA-N 361.442 3.770 30 40 FHEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118925177 XPJSYVSOPZVTNB-SECQQYICSA-N 360.494 3.811 30 40 FHEB Cc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 253617011 VTRUFSCFBTUTQA-UHFFFAOYSA-N 373.825 3.986 30 40 FHEB Oc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 3151339 ZDQWPDIUCKURIP-XDHOZWIPSA-N 361.239 3.742 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 3224840 XSTLIRCMTBCXME-UHFFFAOYSA-N 365.776 3.555 30 40 FHEB CC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O 4899131 WWBJYSXXPCKNMT-VZZUUUIUSA-N 367.474 3.939 30 40 FHEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 5193293 QYGPXPANKNQPLY-NDENLUEZSA-N 373.364 3.926 30 40 FHEB COc1cc(/C=C/C(=O)OCCOc2ccc(C)cc2)ccc1OCC#N 6233926 WCXCJCXLFMJZEP-UXBLZVDNSA-N 367.401 3.541 30 40 FHEB C=CCOc1cc(C(=O)OC)cc2c1Oc1nc3ccccc3nc1O2 8716857 SAPLDVFABWJHHQ-UHFFFAOYSA-N 350.330 3.879 30 40 FHEB C=CCC1=C[C@@](OC)([C@@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O 13480169 SMOHLDSEWHACKE-LHSJRXKWSA-N 356.418 3.595 30 40 FHEB biogenic,in-vitro Cc1cccc(C)c1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 13758212 BDTCLASBSGCBGU-UHFFFAOYSA-O 364.444 3.783 30 40 FHEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21 32096571 LKQKWKHSYDHIBT-NRFANRHFSA-N 364.449 3.757 30 40 FHEB COc1ccc(S[C@H](C)/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1 53528378 UEGJSZNHZBCEKT-LLVKDONJSA-N 355.423 3.644 30 40 FHEB CC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)c2ccc(F)c(F)c2)c1 95423645 FKULFBGCULQGSD-UHFFFAOYSA-N 373.764 3.514 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CN1CC1 118929747 SNHQCEITMYZEQZ-ACXQXYJUSA-N 371.521 3.746 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(Br)c1 408591560 UWQGODPYANEXAR-LZYBPNLTSA-N 360.171 3.680 30 40 FHEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCn1ccnc1 2345502 JVWCJSXOEPZABB-UHFFFAOYSA-N 357.417 3.989 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 4492864 DGGODMXRSUMNCD-UHFFFAOYSA-N 367.430 3.682 30 40 FHEB O=C(/C=C/Nc1ccc(C(=O)O)c(O)c1)c1ccc(Br)cc1 4675720 JOGGYQBEYSWCLI-BQYQJAHWSA-N 362.179 3.661 30 40 FHEB COc1ccccc1-c1nnc(SCC#N)n1CCc1ccccc1 5362552 CESXTLFJTIMIOG-UHFFFAOYSA-N 350.447 3.812 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC3)ccc1OCC(=O)O 12793002 IEAHZFBSMKNJMX-WEVVVXLNSA-N 352.386 3.543 30 40 FHEB Cc1cc(C)c(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c(C)c1 27027973 PXRULOBMHAPOLB-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)NC3CCCCC3)nc2c1 35311128 ZYYNXNWOTXVNMF-UHFFFAOYSA-N 365.481 3.767 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1F 57478235 ZJZZOAZVCDCEPF-SFHVURJKSA-N 363.388 3.957 30 40 FHEB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21 226362846 GUPKQDVBKJUYGE-UHFFFAOYSA-N 362.389 3.956 30 40 FHEB CC(C)COc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408600460 ZBUHWSUBHHAFML-VCHYOVAHSA-N 358.354 3.984 30 40 FHEB COc1ccc(CNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1 2411122 YPERZBJJWPHDSA-UHFFFAOYSA-N 365.389 3.851 30 40 FHEB N#Cc1c(-c2ccccc2)nc2c(/N=N/c3ccccc3)c(N)nn2c1N 4419220 ZCDOMSOHPAWKJI-OCOZRVBESA-N 354.377 3.848 30 40 FHEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(OC)cc2OC)cc1 4871772 HUEJYBXKJUNYOY-FYJGNVAPSA-N 373.478 3.813 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5834598 LXIBZKWGZPQDFB-UHFFFAOYSA-N 352.434 3.646 30 40 FHEB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 7166979 GZDFWTMPYCTMRR-ZDUSSCGKSA-N 374.466 3.804 30 40 FHEB N#Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580353 WJZVMJCUCJKTDN-UHFFFAOYSA-N 351.431 3.854 30 40 FHEB N#Cc1ccsc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 8541094 AVBCPVVIVWSAPC-UHFFFAOYSA-N 362.410 3.868 30 40 FHEB C=CCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13144401 NLZCBGJMOFLKPE-XEWABKELSA-N 350.462 3.934 30 40 FHEB N#Cc1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 13580071 QEJQEUCGELQSKT-CYBMUJFWSA-N 354.431 3.696 30 40 FHEB N#Cc1c(COC(=O)Cc2csc(-c3ccccn3)n2)cn2ccccc12 14853213 JLJMOVQPHCIGRP-UHFFFAOYSA-N 374.425 3.615 30 40 FHEB CC1=C[C@@H](C)[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@@H](C)C1 17112538 NCQAORGGTQHOSV-HEGMCXQOSA-N 364.449 3.964 30 40 FHEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCc3ccco3)nc12 18037202 LRSZXQVABVJWTN-HYARGMPZSA-N 358.401 3.959 30 40 FHEB N#Cc1ccccc1/C=C/C(=O)Nc1nc2ccccc2nc1N1CCCC1 21553400 GAQNJHQJQNMBTB-VAWYXSNFSA-N 369.428 3.754 30 40 FHEB CN(Cc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 21698880 NUYYYXSSTOBHPJ-QFIPXVFZSA-N 368.525 3.671 30 40 FHEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCOc1ccc(Cl)cc1 46084656 WIOSWKXOVMOYEQ-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB C=C(Br)CSc1nnc([C@H]2COc3ccccc3O2)o1 48834188 GBIJIAZNYSADSH-LLVKDONJSA-N 355.213 3.583 30 40 FHEB Cc1ccc(C2=NN(C[C@@H](C)C#N)C(=O)c3cc4ccccc4n3C2)cc1 57720539 BQCLZJZJHGFFMW-INIZCTEOSA-N 356.429 3.970 30 40 FHEB C/C(NCCCN/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100750955 FBLKFIJYOFNCEN-ASSXGEMVSA-N 370.537 3.594 30 40 FHEB biogenic C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837654 PKFZWLYYYGTIBC-INIZCTEOSA-N 370.880 3.602 30 40 FHEB CC[C@H]1CCCCN1c1nn(-c2ccc(Br)cc2)nc1C#N 256046349 FJXSIGDDLUOIRT-ZDUSSCGKSA-N 360.259 3.670 30 40 FHEB C/N=C1/S/C(=C/c2ccccc2OCc2ccccc2C#N)C(=O)N1C 408928490 CAUGTXCYVLGJOA-HZMZRVLWSA-N 363.442 3.669 30 40 FHEB C[C@H]1C[C@@H]1CN(CCCCN(C)c1ccncc1C#N)c1ccncc1C#N 599154683 JOSPNPWXLCRMLQ-ZWKOTPCHSA-N 374.492 3.599 30 40 FHEB C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21)c1ccccc1 12659708 JQPOKDQOUBIXDQ-BDSNPLCGSA-N 369.505 3.864 30 40 FHEB biogenic COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O 4150654 ACVLKCDGBATCTR-DNTJNYDQSA-N 361.854 3.726 30 40 FHEB C#CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Br 6261677 LKPNEPWBIUTSHP-UVTDQMKNSA-N 354.203 3.954 30 40 FHEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCC)nn32)cc1 4436146 ZSWBANGIIAFGEQ-KRWDZBQOSA-N 370.478 3.811 30 40 FHEB CN(/N=C/c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 408893253 LMXSSBQDLHKSNO-CXUHLZMHSA-N 350.172 3.533 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 409038731 AWERDQQTHXTMCB-XDHOZWIPSA-N 374.421 3.807 30 40 FHEB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)cc1 5641866 RCLCRUIIZAJHTO-CQSZACIVSA-N 353.447 3.892 30 40 FHEB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 8342943 CFDWKYUXHVNEAO-HXUWFJFHSA-N 370.474 3.873 30 40 FHEB CC(C)(C)n1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409407544 MMHQBNYPAITHTK-KODHJQJWSA-N 361.445 3.537 30 40 FHEB Cc1cc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2cc1C 34791532 BSZXUZBMOXZBIC-UHFFFAOYSA-N 351.431 3.725 30 40 FHEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)cc1 223749505 CXKJFFZCKHQEND-QJOMJCCJSA-N 373.428 3.805 30 40 FHEB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C2(C#N)CC2)cc1 223007440 XBKKRUSVMMANQA-UHFFFAOYSA-N 362.838 3.705 30 40 FHEB N#C[C@@H]1C(=O)N=C(Nc2ccc(Cl)cc2Cl)NC12CCCCC2 17879177 MGFOGNJERBIHMH-LLVKDONJSA-N 351.237 3.734 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 3229042 AZGRAMLOMXDHKY-UHFFFAOYSA-N 365.443 3.546 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 3400890 RLDSFWCBPLVJLL-UHFFFAOYSA-N 370.522 3.981 30 40 FHEB COc1ccccc1-n1c(S[C@H](C)C#N)nc2cc([N+](=O)[O-])ccc21 4485743 CWMLGYCQNXSSFS-LLVKDONJSA-N 354.391 3.946 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 24050893 UCFOJGHYFFEYHM-UHFFFAOYSA-N 369.346 3.673 30 40 FHEB N=C(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 59511047 RUGWGAKEPDIGRV-UHFFFAOYSA-N 362.089 3.661 30 40 FHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1 100765426 VQGQUXXOHUOLRP-RTBURBONSA-N 365.448 3.852 30 40 FHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(F)c1 408750502 OAFITPKETBMXOA-FBHDLOMBSA-N 353.357 3.982 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 3901745 OTOPSFHFGHPMGO-FQEVSTJZSA-N 367.445 3.782 30 40 FHEB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c(C#N)c(C)c1C 5172614 PBCMCZXPCNEDDB-GFCCVEGCSA-N 351.475 3.948 30 40 FHEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4473997 LXIKOIKPIJSPJE-BAOKRACBSA-N 373.865 3.930 30 40 FHEB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 6462866 KXMAQLKCFDBYHO-JTQLQIEISA-N 356.432 3.789 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 408732514 WCLDCASSZKQWPU-GOSISDBHSA-N 367.430 3.894 30 40 FHEB Cc1ccc(S(=O)(=O)OC(F)(F)c2ccc(F)c(F)c2F)cc1 71614362 WSEMIVOFHJQMSI-UHFFFAOYSA-N 352.280 3.867 30 40 FHEB O=C(/C=C(\O)c1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F 32099998 VZECXLKLVXUDHZ-YVMONPNESA-N 361.169 3.896 30 40 FHEB CCc1c(NCc2cnc3ccc(C#N)cn23)cnn1-c1ccccc1C 566803390 LSZOBWSJGYQMGI-UHFFFAOYSA-N 356.433 3.875 30 40 FHEB COc1ccccc1CN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084707 HHVHSPOLWAAFBG-RGEXLXHISA-N 351.189 3.727 30 40 FHEB CCCCCc1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 6264224 VEFSFDJJVFMDPG-KGENOOAVSA-N 364.405 3.920 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)o1 18200460 UWXSBQZRZHAZTC-QFYYESIMSA-N 351.362 3.568 30 40 FHEB CC/C(=N\c1ccc(OC)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O 102537568 KCWCTPCUJBQCRS-AQRZYSDFSA-N 359.422 3.778 30 40 FHEB N=C1C(c2nc3ccccc3s2)=C(O)CN1/N=C/c1ccc(O)cc1 102729436 LYLQIGGTDNMMJV-RICWVNQTSA-N 350.403 3.598 30 40 FHEB CCOC(=O)NC(Nc1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F 2937615 SGBHZCBHZWZBAW-UHFFFAOYSA-N 366.208 3.944 30 40 FHEB COc1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 3273952 ZYIUEJFKSVWZBZ-XSFVSMFZSA-N 350.447 3.806 30 40 FHEB N#CCCN(C(=O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 3417152 MBYNZMUXWBYFNG-UHFFFAOYSA-N 350.752 3.944 30 40 FHEB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4488229 NMEDTCYMUVXYCB-ORAYPTAESA-N 364.380 3.734 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 6907724 UFGKNKALAUSVDW-AWEZNQCLSA-N 365.462 3.645 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 9332302 CVCOYXOHPRKTMB-QRWLVFNGSA-N 360.392 3.833 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)Nc1nonc1N2 12389096 TVHQTECTFYYQIP-BMLIUANNSA-N 366.352 3.781 30 40 FHEB CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 17123337 YIIZNABWNNMZSN-HNNXBMFYSA-N 373.865 3.612 30 40 FHEB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1C(C)C 20034409 ALTDUUQMTGTBOW-UHFFFAOYSA-N 363.874 3.677 30 40 FHEB C[C@H](NC(=O)CSCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 58227428 IGFVKKFHDVCRIC-AWEZNQCLSA-N 368.462 3.765 30 40 FHEB Cc1ccc(S(=O)(=O)OC[C@H]2CCCN(Cc3ccccc3)C2)cc1 83321025 CUHNAWOJOQIGTN-IBGZPJMESA-N 359.491 3.613 30 40 FHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218424790 MUIJAPLNNCMAGK-ACRUOGEOSA-N 369.486 3.735 30 40 FHEB C=CCSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 219812804 JGIVZZANYVTUOR-UHFFFAOYSA-N 368.502 3.731 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768479 CCKMVVIGIXRXEM-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB C=CCSc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 225455949 QWBRTHCTEIVKGW-UHFFFAOYSA-N 361.492 3.713 30 40 FHEB N#Cc1ccc(-n2nccc2NC(=O)C[C@@]23CCCC[C@H]2C3(F)F)cc1 597228097 CZMAMGFBGVFZJB-QAPCUYQASA-N 356.376 3.898 30 40 FHEB Sc1nnc(-c2ccccc2)n1/N=C\c1ccccc1Br 4680492 GAANKWCOVACVSR-YVLHZVERSA-N 359.252 3.879 30 40 FHEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 7054209 GRVRBQMZVNDTKD-UHFFFAOYSA-N 372.490 3.701 30 40 FHEB N#Cc1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 8115083 QQVPPZRFRWEUCZ-UHFFFAOYSA-N 371.396 3.719 30 40 FHEB Cc1nc(C2=C(N)N(Cc3ccc(Cl)cc3Cl)CC2=O)sc1C 13691505 ICWGAKUQZZRIFL-UHFFFAOYSA-N 368.289 3.779 30 40 FHEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1C 14081913 ATYMWIBSARPXJO-UHFFFAOYSA-N 371.491 3.627 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(O)n[nH]c1N2 18195505 WQLWGHOPFSZGJQ-NSHDSACASA-N 350.205 3.987 30 40 FHEB N#Cc1c(-c2ccc(F)cc2)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 101358508 QNPFBQNOKQHKSA-UHFFFAOYSA-N 359.360 3.597 30 40 FHEB CN1C(=O)/C(=C\C2=Cc3ccccc3OC2)S/C1=N/c1nccs1 101498535 DXXRXNIMGVBNFY-DJGRXSLVSA-N 355.444 3.696 30 40 FHEB C=CCc1cc(CO)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409117977 RXFIFJUWFTVVGI-UHFFFAOYSA-N 374.349 3.915 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C 871371 NBXAGFHNDLAVFI-UHFFFAOYSA-N 359.426 3.802 30 40 FHEB N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)F 2784667 KISWGZAJHNTKJQ-NWDGAFQWSA-N 353.170 3.880 30 40 FHEB CC1CCC2(CC1)C(=O)N[C@@]1(C=C[C@@H](C)CC1)[C@]2(O)C#Cc1ccccc1 4983831 VNPKXGXTANPGCD-IMCFOKCOSA-N 363.501 3.820 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2c(F)cccc2F)C1=O 12522927 AHWMJSLDWARMEC-WJDWOHSUSA-N 371.339 3.792 30 40 FHEB Cc1ccc2cc(C#N)c(NCCCNC(=O)Cc3cccs3)nc2c1 20151453 JPWBCSWKCLSHJT-UHFFFAOYSA-N 364.474 3.637 30 40 FHEB C=CCn1c(S[C@@H]2CCCC[C@H]2O)nc2sc(C)c(C)c2c1=O 89565205 HNUDOOHXSFTJHO-CHWSQXEVSA-N 350.509 3.656 30 40 FHEB C#CC[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)c2c(c1)OCCCO2 521394791 FIGCWPBHFYSMMX-LLVKDONJSA-N 361.747 3.575 30 40 FHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 223735302 NBOROEIEABLVMP-UHFFFAOYSA-N 363.504 3.794 30 40 FHEB CC(C)[C@@H]1OCCC[C@@H]1C/N=C(/O)Nc1cn(C)nc1-c1ccccc1 329562651 RUSLDQFDDAGPHX-APWZRJJASA-N 356.470 3.864 30 40 FHEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751436 YWJNMUURZMVQLQ-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CC1(C)OB([C@H]2CCN(C(=O)NCC3(c4ccccc4)CC3)C2)OC1(C)C 1776007663 SCIUHASWVMVNFL-KRWDZBQOSA-N 370.302 3.596 30 40 FHEB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N(CCC#N)c1cccc(C)c1C 107064684 BJXBKVWZUYQBLC-RBUKOAKNSA-N 359.539 3.766 30 40 FHEB CN(C)c1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1099902 QMDLVXDIBXDPTC-ZROIWOOFSA-N 371.780 3.659 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(OCC)c21 100909637 HXMASNWULFSHMQ-XDOYNYLZSA-N 363.442 3.900 30 40 FHEB CCOc1ccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)cc1 726819 SQIBNGORSCMKLB-HYARGMPZSA-N 359.385 3.937 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 5782896 DSWLEPDAYNNGIR-MRXNPFEDSA-N 371.234 3.960 30 40 FHEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 6610165 RGSVMQAXLUAWAS-HXUWFJFHSA-N 370.474 3.935 30 40 FHEB CC[C@H](C)Nc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 8326809 ANTCOGUYTRQVMC-GUOLPTJISA-N 357.410 3.953 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)s1 11915627 LNHOGPJVKHGZLG-UHFFFAOYSA-N 374.447 3.732 30 40 FHEB C=CCN1C(=O)[C@@](Nc2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 12408221 KCRZXYOWUDTBKM-SFHVURJKSA-N 374.366 3.536 30 40 FHEB C[C@@H](c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 12898429 OZAFSOLWGPAMLX-AWEZNQCLSA-N 366.396 3.829 30 40 FHEB C=CCN1CCc2cc(-c3cncn3CCn3nc(C)c(C)c3C)ccc21 19719373 NCZQIMVELMFPTI-UHFFFAOYSA-N 361.493 3.921 30 40 FHEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20028808 XMLVJBHHFAJVSH-HXUWFJFHSA-N 368.452 3.806 30 40 FHEB C=CCn1cnc2sc(C(=O)Nc3ccc(CC)cc3)c(C)c2c1=O 35673397 SWSONXOMZVDNBD-UHFFFAOYSA-N 353.447 3.767 30 40 FHEB C#Cc1cc(F)c(NC(=O)N(CCN(C)C)Cc2cccs2)c(F)c1 89314308 YCMYAYHFGGNQEX-UHFFFAOYSA-N 363.433 3.603 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@]4(S)C[C@@H](O)C[C@@H](S)[C@]34C)[C@@H]1CC[C@@H]2O 118934957 KIBKUPGGOWPDIJ-XGRAFVIBSA-N 356.597 3.712 30 40 FHEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCOC 219807682 MRHUPERTAKBGMZ-UHFFFAOYSA-N 370.474 3.593 30 40 FHEB COc1cc2c3c(c1)/C(=C/C(=O)c1ccccn1)C(=O)N3C(C)(C)C=C2C 2033970172 RALVUIXPLLKGRG-BOPFTXTBSA-N 360.413 3.899 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C#N)C1 1959803 ODSOPTGWEBTDFB-LLVKDONJSA-N 371.418 3.670 30 40 FHEB O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 2240269 MMDUVFPGWUJNOE-UHFFFAOYSA-N 368.389 3.828 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCCC2 2316711 KPRHCFAEFBACQA-UHFFFAOYSA-N 370.503 3.801 30 40 FHEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O 5789798 LMFAWJFROHKQJB-GRSHGNNSSA-N 368.385 3.642 30 40 FHEB biogenic Cc1cc(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)n(C)n1 6527841 NULJDSVSCDPZGV-MDZDMXLPSA-N 367.361 3.705 30 40 FHEB CC(C)N1C(=O)/C(=N\Nc2cc(C(=O)O)ccc2Cl)c2ccccc21 7854379 RMVMMXKSRGRDDH-PGMHBOJBSA-N 357.797 3.609 30 40 FHEB CCOC(=O)c1sc(Nc2ncc(C#N)c(-c3ccccc3)n2)nc1C 8970459 QDYUEFROEVZCSP-UHFFFAOYSA-N 365.418 3.701 30 40 FHEB CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 14094597 IDKYJZXIRWGWBS-UHFFFAOYSA-N 357.479 3.942 30 40 FHEB C=CCN(C(=O)Cc1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 15968802 YCMFZJKUPMOJHE-UHFFFAOYSA-N 370.474 3.555 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCc2nnc(-c3ccccc3)o2)cc1 22195025 QCMMDNGBDDWKOO-YDZHTSKRSA-N 350.378 3.636 30 40 FHEB Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1ccccn1)[C@H]1CCCN21 102374137 LVBJAXYKDWSGLN-IFMALSPDSA-N 355.445 3.562 30 40 FHEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718594 BPMBVRXCNMLJQP-INIZCTEOSA-N 350.418 3.551 30 40 FHEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917737 SUFJHQFIKDZJAJ-XEXLYTDQSA-N 372.505 3.979 30 40 FHEB C=CCc1cc(C(=O)NCc2nc(-c3cccc(C)c3)no2)ccc1OC 218659764 ZBSVHBZDQUWVSQ-UHFFFAOYSA-N 363.417 3.712 30 40 FHEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785915 VOLVCVHVKARQHQ-UHFFFAOYSA-N 368.361 3.563 30 40 FHEB Cc1c(Cl)cccc1Nc1ccccc1C(=O)ON1C(=O)CCC1=O 329788147 RJKXSRULJRXEPE-UHFFFAOYSA-N 358.781 3.613 30 40 FHEB O=C(O)Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409069402 CUSREJVTDCOUMN-QPJQQBGISA-N 362.311 3.586 30 40 FHEB Cc1cccc(COc2ccccc2/C=N\N2C(=O)CSC2=S)c1 409342457 DIQJGDSZNLPRSG-GRSHGNNSSA-N 356.472 3.768 30 40 FHEB C=CCC1(C(=O)NCC[C@H](C)Nc2nc(C)cc(C(F)(F)F)n2)CCC1 1615611737 PXHDWCHQQJSZBN-LBPRGKRZSA-N 370.419 3.857 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C3\C(=O)N(C)c4ccccc43)S2)cc1C 1744956 ZQDOPPIKSPIPEA-WUKNDPDISA-N 363.442 3.542 30 40 FHEB C=CCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 2264822 QSCQXTXBDVAOQO-UHFFFAOYSA-N 352.438 3.946 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 2639348 KYESUSLHPQUWJE-UHFFFAOYSA-N 371.368 3.977 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3254899 QPYBDWZJTTWUKS-UHFFFAOYSA-N 362.357 3.668 30 40 FHEB N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 6510467 QCDOKVZFZCXQBD-UHFFFAOYSA-N 366.380 3.510 30 40 FHEB O=C(O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 12376497 WNATZJUNQNGPRL-MEUCICPISA-N 374.849 3.946 30 40 FHEB CCOc1ccccc1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 16919476 IOURTKWCNCMRAN-FYJGNVAPSA-N 357.523 3.852 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(C)C2=O)c(C)c1 16949044 KQDGRFGVLJVEQJ-UNEBPCJRSA-N 367.474 3.894 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OCC 35393776 MOEHZIHUKGAZQX-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OC 57996462 JSUZIMJJSIOTNI-ONNFQVAWSA-N 367.401 3.947 30 40 FHEB CC[C@@H](OC1CCCC1)/C(O)=N/S(=O)(=O)c1cccc2cnccc12 73300778 CKAXEKOEWBEQFV-MRXNPFEDSA-N 362.451 3.618 30 40 FHEB C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)CC(=O)Nc2ccc(C#N)cc2)C1 199422705 RDOYABSVOHKKCF-HZPDHXFCSA-N 355.482 3.808 30 40 FHEB CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1 223810434 MJRNJTKHFCHOAQ-SFHVURJKSA-N 353.393 3.946 30 40 FHEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224822005 QTPJYUNIHHIBAT-UHFFFAOYSA-N 373.474 3.963 30 40 FHEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2ccccc2F)c1N 225841308 SKUNBVFESZHYKT-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB O/C(=N/Cc1csc(-c2ccccc2)n1)N1CCOC[C@@H](C2CCC2)C1 330201494 XWGXPDOCGAELGN-KRWDZBQOSA-N 371.506 3.973 30 40 FHEB C#CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2[nH]1 409032731 MXRFKMJJZALCAY-YBFXNURJSA-N 369.222 3.783 30 40 FHEB Cc1ccc(CN2C(=O)N/C(=C/c3cn(CC#N)c4ccccc34)C2=O)cc1 409234487 KXPQISKYZAERKX-XDHOZWIPSA-N 370.412 3.566 30 40 FHEB COC(=O)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1473731 OMDRTGMBVJSFJV-GRSHGNNSSA-N 372.837 3.556 30 40 FHEB N#C[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)c1cc2ccccc2oc1=O 4079222 NHNDVSRWNTYPBW-RDTXWAMCSA-N 352.415 3.564 30 40 FHEB N#Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N)cc1 8657811 VQKWDQYVOFNRIV-UHFFFAOYSA-N 371.469 3.900 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1 12219317 SYNMSLJCEHGLDX-TYABSZSSSA-N 365.448 3.852 30 40 FHEB C=CCN1C(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1O 17207122 JAQPSCQNGVBHOO-LGMDPLHJSA-N 371.396 3.687 30 40 FHEB CN(CCC#N)c1ccc(CNC[C@H](c2cccc(F)c2)N(C)C)cc1 22924273 LRLJFFHZSRGZHC-OAQYLSRUSA-N 354.473 3.568 30 40 FHEB N#CC1(NC(=O)CNc2cccc(OC(F)(F)F)c2)CCCCCC1 24369781 SDLXBHVGYBFOQX-UHFFFAOYSA-N 355.360 3.730 30 40 FHEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1Cl)c1ccc(N)cc1O2 36559232 OOXCZVSNJHAVMK-OAHLLOKOSA-N 363.808 3.639 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223342274 NMJATSKSYOIODK-NRFANRHFSA-N 350.462 3.859 30 40 FHEB N#Cc1cc(N)c(Cc2ccccc2)n1CC(=O)Nc1ccc(Cl)cc1 225861214 JPZSGMKXGPPKCY-UHFFFAOYSA-N 364.836 3.825 30 40 FHEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226278940 LJPRVAZUFMNLTL-UHFFFAOYSA-N 370.371 3.767 30 40 FHEB N#Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12 226362633 WZJREWZXOHPEMA-UHFFFAOYSA-N 361.220 3.512 30 40 FHEB O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 12376498 WNATZJUNQNGPRL-ZJYNUGOYSA-N 374.849 3.946 30 40 FHEB CSc1nc(C)c(CCC(=O)OCc2ccc(C#N)cc2F)c(C)n1 29890812 PTCNRFANEXGYEA-UHFFFAOYSA-N 359.426 3.502 30 40 FHEB Cc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] 12918671 PAXYCMUAFYYFPZ-MDZDMXLPSA-N 350.374 3.926 30 40 FHEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)COc2cccc(C(C)C)c2)s1 83150611 RIXXJSXSZAVEJJ-UHFFFAOYSA-N 368.480 3.608 30 40 FHEB O=C(C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)c1ccccc1 4537216 ZPQCNZQTZQYWTL-YODDIOPGSA-N 371.849 3.535 30 40 FHEB CCOc1ccc(-c2nc(C#N)c(NCc3cccc4c3OCO4)o2)cc1 6595849 OUKOGYZGYFNUDQ-UHFFFAOYSA-N 363.373 3.953 30 40 FHEB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC1(C#N)CCCCC1 7130390 VBEAAXVWVOQUPS-HNNXBMFYSA-N 368.506 3.910 30 40 FHEB CN(C)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 68341052 VCRQROCDSSPVSZ-QGZVFWFLSA-N 365.502 3.876 30 40 FHEB CCn1c(C)cc(C2=NN/C(=N\c3ccccc3[N+](=O)[O-])SC2)c1C 9482897 MJPUITYPVNKFFL-UHFFFAOYSA-N 357.439 3.761 30 40 FHEB CN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656340 UCSWGGNPHWOILR-HBVQVORYSA-N 356.378 3.758 30 40 FHEB C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 83315225 QCOVCJQGBPASPF-HRGDMGKESA-N 367.449 3.888 30 40 FHEB C[C@@H]1CCc2c(F)cccc2[C@H]1/N=C(/O)c1cnc2c(c1)N=C(O)CO2 329124158 SDRYOIYQMWZTDE-QGHHPUGFSA-N 355.369 3.829 30 40 FHEB N#Cc1c(NC(=O)Cn2cc(C=O)c3ccccc32)sc2c1CCCC2 17074770 BBVDQYMBFSAOGH-UHFFFAOYSA-N 363.442 3.904 30 40 FHEB O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@@H]2CCc3ccccc32)ccc1Cl 1709431 QPWSYABODAIXIT-GDXCHIGESA-N 374.853 3.734 30 40 FHEB C=CCN/C(S)=N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 5237086 LMUDWOWEUPCZRL-WSDLNYQXSA-N 373.453 3.809 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C#N)C1 947401 QELZVIGNUYBRBN-LLVKDONJSA-N 371.418 3.670 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 25360182 LTSGXQXNYYLBQI-FQEVSTJZSA-N 351.425 3.909 30 40 FHEB Cc1nn(-c2ccccc2)c(COc2ccc(-c3nnco3)cc2)c1C#N 27359932 FXVOYMKOTYIRNL-UHFFFAOYSA-N 357.373 3.681 30 40 FHEB CCOc1ccc(Br)cc1/C=N/Nc1ccccc1C(=O)O 11905643 ZLKUEPPFEIEYHZ-VCHYOVAHSA-N 363.211 3.992 30 40 FHEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 65453389 OGYAWIJCDDLUPX-ZDUSSCGKSA-N 374.487 3.594 30 40 FHEB N#Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 6328795 MUFKJPXDTJSECB-UHFFFAOYSA-N 358.753 3.614 30 40 FHEB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)CC1 7106019 JLPFORPXFFYLSV-UHFFFAOYSA-N 368.868 3.606 30 40 FHEB CCCCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OC 96193670 UMSRCAZYPMTACS-GHXNOFRVSA-N 368.227 3.953 30 40 FHEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1/SC(S)=NC1=O 5930725 JPKDJFBEERCSRW-RVDMUPIBSA-N 356.476 3.529 30 40 FHEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 100279656 WMUXJAKNXKAQNZ-DDRRTAJHSA-N 370.405 3.846 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8049344 MSLUOVDPNFYSAF-INIZCTEOSA-N 352.434 3.625 30 40 FHEB COc1c(O)ccc(/C=N/c2sc3c(c2C#N)CCCC3)c1[N+](=O)[O-] 103540373 WYDLFPPEYSIHCC-DJKKODMXSA-N 357.391 3.872 30 40 FHEB N#Cc1cc(NCc2nc(-c3ccco3)no2)ccc1OCC(F)(F)F 55849708 ZJLWNHQQQXNGDB-UHFFFAOYSA-N 364.283 3.754 30 40 FHEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCCC2CCCC2)n1 1562613436 SIZKBJLYOPUTRQ-UHFFFAOYSA-N 355.417 3.975 30 40 FHEB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 33334342 KOXDXOQPORECKU-XNTDXEJSSA-N 356.378 3.504 30 40 FHEB Cc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1 4848991 CRJUFBKCMDYTRI-UHFFFAOYSA-N 361.470 3.866 30 40 FHEB Cc1cccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1 794761 PECYTDMSIWTWMO-UHFFFAOYSA-N 363.373 3.775 30 40 FHEB N#Cc1cccc([C@H](c2nnnn2Cc2ccccc2)N2CCCCCC2)c1 57710771 NJYABXBEJLYPNY-OAQYLSRUSA-N 372.476 3.558 30 40 FHEB CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 59490079 FZNGSHVGEJPPRG-UHFFFAOYSA-N 350.374 3.904 30 40 FHEB COc1ccc(-c2n[nH]c(SCc3ccc(C#N)cc3)n2)c(OC)c1 58193363 LVXXNYIXVPYMKQ-UHFFFAOYSA-N 352.419 3.653 30 40 FHEB C=CCn1c(C)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 12868640 ZUNPLPVTAPKING-QGZVFWFLSA-N 374.510 3.720 30 40 FHEB C=CCOc1ccc(/C=C2\C(=O)N(CCCC)C(C)=C2C(=O)OC)cc1 409198791 FIQURYPKLZFVOW-JXAWBTAJSA-N 355.434 3.724 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 5642842 ZXXVFSSIHSKFLO-INIZCTEOSA-N 364.474 3.998 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccccc32)cc1Cl 223718436 FZFGIOSNVZRKTR-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 40140263 TYFUEMYTPIPOHG-UHFFFAOYSA-N 364.355 3.763 30 40 FHEB C/C(=N\S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(O)c(C)c1C 12372150 NWHUPEPGZATLCM-UHFFFAOYSA-N 352.843 3.882 30 40 FHEB N#Cc1ccc(NCCOc2ccc3c(c2)OCO3)cc1C(F)(F)F 78524972 ZANMZZYDBQHNBG-UHFFFAOYSA-N 350.296 3.797 30 40 FHEB C/N=C1/S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1C 101519742 RPLVEXNKRWOQBT-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 58218642 DZXUQQUBRKJDMH-UHFFFAOYSA-N 352.394 3.841 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2O)cc1 2222294 NWWSZVFKMYUSOD-YBFXNURJSA-N 370.434 3.603 30 40 FHEB CC[C@@]1(C)NC(=O)N(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 3305644 HPJCWLNUAHOJHS-GWJWUGQSSA-N 372.856 3.802 30 40 FHEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccoc1)c1cccs1 36611871 VYIDZAGYXVZHGO-NSHDSACASA-N 366.324 3.647 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 3535158 OCNIHDCSCOSJSR-OAQYLSRUSA-N 366.417 3.690 30 40 FHEB CCOC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 13756040 RXMNXFORZCWSCL-XSFVSMFZSA-N 357.366 3.825 30 40 FHEB O=C(O)COc1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1Cl 408859337 VXOHPWISIFSGIZ-FBCYGCLPSA-N 368.172 3.906 30 40 FHEB CCOc1ccccc1-c1noc(COc2ccc(C#N)cc2OC)n1 8706022 QZBBODWTPKRNKA-UHFFFAOYSA-N 351.362 3.595 30 40 FHEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccnc1 408596026 YTHSPFCNKXNVIS-SRZZPIQSSA-N 350.378 3.948 30 40 FHEB O=[N+]([O-])c1cc(/C=N\Nc2nc3ccccc3s2)ccc1SCCO 32125039 DYSNKXLZSUSHJU-YVLHZVERSA-N 374.447 3.735 30 40 FHEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(O)c(C(=O)O)c1 409234106 LXVCKCVRNDYERJ-BKUYFWCQSA-N 354.406 3.840 30 40 FHEB C[C@@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 8709454 UCTHRQFFZSOCBM-KRWDZBQOSA-N 361.854 3.896 30 40 FHEB N#Cc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96382548 HQWOYBBYYFBLLA-UHFFFAOYSA-N 357.413 3.995 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc3cccnc23)CC1 45976588 NKICJKTZPVATBR-UHFFFAOYSA-N 371.444 3.851 30 40 FHEB C[C@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C1 18119560 NKEGAOUJCUCSFW-RRYLNPQJSA-N 356.491 3.800 30 40 FHEB CSc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 100791014 YALLSRQOZOEILL-HNNXBMFYSA-N 350.395 3.772 30 40 FHEB biogenic O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C1/C[C@@H]2CC=C[C@@H]12 32699311 XHPDWJSGYWOSEX-QUGLMLMZSA-N 356.260 3.886 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)n1ncnc1N2 950595 BGOOXLMVVWIKRI-NRFANRHFSA-N 372.428 3.879 30 40 FHEB C#CCO[S@](=O)O[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 2038701 ZYHMJXZULPZUED-HOOSLVGPSA-N 350.480 3.919 30 40 FHEB in-vitro CCOC(=O)[C@@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 3997642 PCABVTNIDXAZMY-OALUTQOASA-N 369.417 3.536 30 40 FHEB COc1cc(/N=C/c2cc(Br)ccc2O)cc(OC)c1OC 5286871 NJDFLOGYPYOJFW-GIJQJNRQSA-N 366.211 3.931 30 40 FHEB C=CCn1c(SCC(=O)OC)nc2scc(-c3ccccc3)c2c1=O 5606997 JESLXMGCSBETEQ-UHFFFAOYSA-N 372.471 3.576 30 40 FHEB CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 7211762 HRIRRDGAAXGQMU-UHFFFAOYSA-N 362.454 3.968 30 40 FHEB CCc1ccc(-c2nc(CSc3ncc(C#N)c(N)n3)cs2)cc1 12534308 BVVONTHYAKSMBT-UHFFFAOYSA-N 353.476 3.909 30 40 FHEB Cc1cc(C)c(C#N)c(SCCCCN2C(=O)c3ccccc3C2=O)n1 12546767 LUMWBAYCSSELJG-UHFFFAOYSA-N 365.458 3.739 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CC(F)(F)F)c2)c1 58003772 ZESYUPFQIOSXCI-UHFFFAOYSA-N 361.319 3.764 30 40 FHEB N#Cc1cccnc1NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 66387522 KPMRHGIWMOCYPX-UHFFFAOYSA-N 362.355 3.933 30 40 FHEB N#CCc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 66686340 OWXBVRYIIDRGQJ-SFHVURJKSA-N 358.800 3.759 30 40 FHEB N#Cc1ccccc1Cn1cc(-c2nc(-c3ccsc3)no2)ccc1=O 75166056 WLEDEBBCGKTJPV-UHFFFAOYSA-N 360.398 3.547 30 40 FHEB Cc1ccc(-n2c(C)cc(/C=N/NS(=O)(=O)c3ccccc3)c2C)cc1 408896500 NWGUPBUZGBZMAX-KGENOOAVSA-N 367.474 3.715 30 40 FHEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])o1 409089058 MTDBRVNORXUJTN-ZDLGFXPLSA-N 353.294 3.604 30 40 FHEB C#CCOc1ccc(NC(=O)c2cc(CC=C)c(OC)c(OC)c2)cc1 78568148 PSNCQODJMQDNSP-UHFFFAOYSA-N 351.402 3.697 30 40 FHEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3F)NC2=O)c1 6924462 LCUWLVLSRVUUGN-MHWRWJLKSA-N 358.394 3.735 30 40 FHEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104239778 YVWBACPZDDNQBJ-MNPACNMBSA-N 360.370 3.542 30 40 FHEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1COc2ccccc2O1 24973644 CKTIOSSPEYQYLN-HXUWFJFHSA-N 361.422 3.926 30 40 FHEB COc1ccc(-c2nc(CC(=O)OCc3ccccc3C#N)cs2)cc1 10318837 KCYVIOXYOSLETP-UHFFFAOYSA-N 364.426 3.976 30 40 FHEB C=C(C)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCC3 2236847 BZTPGTQUNJNCFV-UHFFFAOYSA-N 372.877 3.932 30 40 FHEB COc1ccc(Br)cc1/C=N/N1C(=O)C[C@@H]1c1ccccc1 59186802 MJMUWLPNBUSHGL-SKCQWOFPSA-N 359.223 3.765 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(F)c1 6001736 GSMKPBYGIPGJOD-CQSZACIVSA-N 371.437 3.586 30 40 FHEB C=CCn1c(SCC(=O)NCc2ccccc2OC)nc2ccccc21 5619063 GYSBCWGXPWYVIJ-UHFFFAOYSA-N 367.474 3.639 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Br)NC(=O)N1 5783747 CQOAJRRMJHNRCC-MRXNPFEDSA-N 371.234 3.960 30 40 FHEB CN1/C(=C\C(=O)CSc2nnc(C3CC3)n2C)C(C)(C)c2ccccc21 18100481 HYLGLJGBLKVFLG-BOPFTXTBSA-N 368.506 3.665 30 40 FHEB CCc1ccc([C@@H](SC(C)(C)C)C2=C(O)N[C@@H](S)NC2=O)cc1 223812699 ZKPUKFIQDGUVBL-CZUORRHYSA-N 352.525 3.524 30 40 FHEB C=CCNC(=S)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 6295793 FJMHDSGSSXIEOO-UFFVCSGVSA-N 353.369 3.949 30 40 FHEB COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5322114 JJYHGVIIUKYWCJ-KKSFZXQISA-N 372.428 3.702 30 40 FHEB Cc1ccc([C@@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1 104155403 JTPQKAKOGAIKMJ-HNNXBMFYSA-N 371.396 3.727 30 40 FHEB C=CCNC(=O)COc1ccccc1-c1noc(/C=C/c2ccccc2)n1 33325186 WWJJYKXSDHBYPV-OUKQBFOZSA-N 361.401 3.588 30 40 FHEB C#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 661939 AQGDRDJVBOFVAW-XDHOZWIPSA-N 373.387 3.507 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8495483 RXYYCHZQWPJCCC-KRWDZBQOSA-N 356.397 3.538 30 40 FHEB CN1[C@](/N=C\c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O 104099179 HKVRWUHJZXVLPV-NCJDQSJGSA-N 362.454 3.641 30 40 FHEB N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)c1ccc(Cl)cc1 27663266 SCWMECOFNHKUFD-UHFFFAOYSA-N 362.769 3.839 30 40 FHEB CC[C@H](C#N)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 60342130 PILYTQDPRCQQNI-GFCCVEGCSA-N 353.451 3.773 30 40 FHEB CN1CCc2nc(SCc3cccc(Br)c3)c(C#N)cc2C1 19852717 QHNPRSOZROKNOG-UHFFFAOYSA-N 374.307 3.996 30 40 FHEB CCCOc1ccc(/C=N/N/C(S)=N/c2ccccc2[N+](=O)[O-])c(O)c1 8687769 OYQUEZDYUXWBTP-WOJGMQOQSA-N 374.422 3.630 30 40 FHEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OC 408811514 LLGUUOXQNZYJLN-WQLSENKSSA-N 368.252 3.852 30 40 FHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 224910579 DNXUAIHDYMIONG-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=N 34707557 ZDNIJESFXPLBFI-GYSREZARSA-N 367.321 3.565 30 40 FHEB Cc1cc(=O)oc2c(/C=N/c3ccc(Br)cn3)c(O)ccc12 5336698 HBCHULMTCXHTCV-UFWORHAWSA-N 359.179 3.715 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C 5213876 DXJFOUJKNJFHQF-UHFFFAOYSA-N 354.435 3.711 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2ccc(F)cc2C)c(O)c2ccccc21 12414650 XJAHBVPXACBLNF-UHFFFAOYSA-N 352.365 3.593 30 40 FHEB C[C@@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3F)N2C1=O 1407014 FTSPFNIYQMEXCJ-BTDLBPIBSA-N 364.401 3.808 30 40 FHEB O=C(O)c1cc(N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1Cl 4921400 XZPZOWLEEXILKP-UBKPWBPPSA-N 370.148 3.751 30 40 FHEB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C#N)cc1 6362701 FYNONCYDHWLKSB-QPJJXVBHSA-N 358.444 3.537 30 40 FHEB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C#N)cc1 8291233 XFUNNJHVJKAYHH-CYBMUJFWSA-N 351.431 3.766 30 40 FHEB CC(C)c1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 28912914 FTTGWMYBERLJHK-NTEUORMPSA-N 371.414 3.772 30 40 FHEB Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1C#N 37170584 LHYHHWZUYMUFST-GHJWDPDVSA-N 358.511 3.710 30 40 FHEB O=C1CCc2cc(/C(O)=N/c3nc(-c4ccccc4Cl)n[nH]3)ccc2N1 97334985 JEMMTLNTEFVMAK-UHFFFAOYSA-N 367.796 3.646 30 40 FHEB CC1(C)CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)C1 1772492810 FNZNQMPYMHYTSI-FDNYNCRQSA-N 361.526 3.635 30 40 FHEB C=CCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 6947862 KTMGLEUTZRLDSE-UNOMPAQXSA-N 357.438 3.598 30 40 FHEB CCCC(=O)NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 12419219 CZWICIGSXZOCNW-UHFFFAOYSA-N 360.273 3.653 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(OC)c3)ccc2c1=O 12609157 KLUOEAJKQKUZFK-UHFFFAOYSA-N 367.430 3.506 30 40 FHEB N#Cc1ncn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 12791879 VZKKHGMZKXYEMY-UHFFFAOYSA-N 369.837 3.593 30 40 FHEB CCCCNC(=S)N(C)/N=C/c1c(C)nn(-c2ccccc2)c1Cl 3322644 JVXDYQOCWYEOMK-UDWIEESQSA-N 363.918 3.774 30 40 FHEB C=CCNC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 2291687 ZLUOTGZZQTZGEM-UHFFFAOYSA-N 371.444 3.689 30 40 FHEB COc1ccc(CCNc2oc(COc3ccc(F)cc3)nc2C#N)cc1 2205953 BRUSNJKVUJBKGT-UHFFFAOYSA-N 367.380 3.928 30 40 FHEB Cc1cc(OCc2ccc(/C=N/n3cnnc3S)o2)cc(C)c1Cl 36611472 UYGJBCSMMIQOOO-FBCYGCLPSA-N 362.842 3.891 30 40 FHEB CCOC(=O)[C@H]1C(=O)N(O)C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 3997641 PCABVTNIDXAZMY-RTBURBONSA-N 369.417 3.536 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 18277080 GKSZUOGXZJGUPB-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409104701 HLOZWDCPRPVEIM-KEBDBYFISA-N 366.333 3.702 30 40 FHEB C=CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 224500552 BSZMEOFIVTWOML-UHFFFAOYSA-N 353.827 3.714 30 40 FHEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224794191 ZSKBQHHEZVJRQB-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(Br)cc1Cl 40009475 FJFHGWCPWVMFDB-AWEZNQCLSA-N 358.667 3.569 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 8500025 VOGQBEMMKSBIBY-UHFFFAOYSA-N 352.434 3.890 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2/[C@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)cc1 102944124 KMLJCDIFQNRJOC-NTBSTCHESA-N 354.475 3.843 30 40 FHEB Cc1ccc(/N=C2\NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c(C)c1 24988275 NLZDVJMFMDODEX-UHFFFAOYSA-N 364.474 3.916 30 40 FHEB COc1ccc(S(=O)(=O)/N=C(\O)CCCc2c[nH]c3ccccc23)cc1 48580399 HNKDJMABBYCZGM-UHFFFAOYSA-N 372.446 3.845 30 40 FHEB CCOc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 4994011 DDFJKWFVVJEIBP-UHFFFAOYSA-N 370.459 3.692 30 40 FHEB N#Cc1ccc(Cn2cc(-c3cnn(Cc4ccc(C#N)cc4)c3)cn2)cc1 16046630 FLBSACCTFQNSBQ-UHFFFAOYSA-N 364.412 3.587 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1 7819403 UZZVNQUABWCEDS-LBPRGKRZSA-N 354.387 3.785 30 40 FHEB CCC/N=C(\O)[C@@H](C)/N=C(\O)CN(C)Cc1ccc(C(F)(F)F)cc1 82070620 GFWMAVSQSDUHPT-GFCCVEGCSA-N 359.392 3.849 30 40 FHEB COc1cc(C(=O)/C=C/Nc2cccc([C@H](C)O)c2)cc(OC)c1OC 409056574 HJFDUPFPDLNUBI-XEHSLEBBSA-N 357.406 3.574 30 40 FHEB COc1cc(/C=N/O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409080566 LPNJUXUCTIUKFL-FRKPEAEDSA-N 367.701 3.765 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)N/C(=N\C#N)N1 72467762 QYZBWXZEOFECTB-QGZVFWFLSA-N 350.809 3.568 30 40 FHEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1ccccc1 223664767 XCYRPQSUXBAWBV-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(Nc1ccc(F)cc1)C(F)(F)F 40268295 CZMJONBXQXEWLU-MRXNPFEDSA-N 357.303 3.739 30 40 FHEB CCCCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 97944162 FZROCJVYABYANX-UHFFFAOYSA-N 366.531 3.532 30 40 FHEB C=C(C)CN(CC)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 64783665 CAAASTOYIRSDFZ-KRWDZBQOSA-N 350.871 3.693 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@@H]4C)cnc3c2c1 4028804 QTBQTTBAAXXJAQ-ZDYGVUNGSA-N 364.449 3.959 30 40 FHEB biogenic N#Cc1ccc(CO/N=C(/N)c2ccccc2OCc2ccccc2)cc1 58167160 ULXBINXCCFZVFL-UHFFFAOYSA-N 357.413 3.974 30 40 FHEB C=CCn1c(SCC(=O)NC2CCC(C)CC2)nnc1-c1ccccc1 14161012 SEUZCMMWCGNYLT-UHFFFAOYSA-N 370.522 3.918 30 40 FHEB CN(CC(=O)Nc1ccccc1C#N)Cc1ccccc1N1CCCCC1 15103718 PPNAMGWNGDUVLZ-UHFFFAOYSA-N 362.477 3.619 30 40 FHEB O=S(=O)(/N=C(/NCc1ccco1)c1ccccc1)c1ccc(Cl)cc1 7141056 IPQUVLBNVSTATA-UHFFFAOYSA-N 374.849 3.858 30 40 FHEB N#CCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 16233450 DEBSSHKYEAHVRT-UHFFFAOYSA-N 372.808 3.585 30 40 FHEB COC(=O)c1cccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1C 409186513 DCPGLAOWBRQOFQ-WSDLNYQXSA-N 369.417 3.863 30 40 FHEB COCCn1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C 408966301 ZKNNSKIRZAPLLJ-LDADJPATSA-N 369.490 3.951 30 40 FHEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccccc2)CC1 38654299 YVFABNKYIUQAFS-UHFFFAOYSA-N 370.456 3.639 30 40 FHEB C[C@@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1cccc(C#N)c1 598998920 MHHIZSOSYLWPQU-MRXNPFEDSA-N 373.460 3.632 30 40 FHEB CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 53733964 UENPXYSCJYKOJQ-OAHLLOKOSA-N 367.449 3.868 30 40 FHEB CCOc1ccccc1/C=C1\SC(=N)[C@H](c2nnc(CC)s2)C1=O 6024759 VOPDYGRCVMQFGI-QNORNXTCSA-N 359.476 3.917 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 5723752 VDYLVWGBLQNNAW-VLXQCQHTSA-N 361.482 3.767 30 40 FHEB in-vitro Cc1ccn2c(=O)cc(CON=C3c4ccccc4-c4ccccc43)nc2c1 14354334 IOKIKSFBLREXHP-UHFFFAOYSA-N 367.408 3.953 30 40 FHEB [N-]=[N+]=Nc1ccccc1C(=O)NCCNC(=O)c1ccccc1N=[N+]=[N-] 17126926 XSLSZBXMOUXRLQ-UHFFFAOYSA-N 350.342 3.730 30 40 FHEB CSc1cc2c(cc1NC(=O)N(CCC#N)Cc1ccco1)OCCO2 79105291 PVVCLVLIGDEWBQ-UHFFFAOYSA-N 373.434 3.720 30 40 FHEB CC/N=C1/S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC 100203554 OFCBPLWNYGMSQV-ZSPVLXODSA-N 374.293 3.662 30 40 FHEB Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)o2)n1 36611028 XWUURIXBDUSSQP-UHFFFAOYSA-N 366.446 3.815 30 40 FHEB Cc1sc2nc(CSc3ccc([N+](=O)[O-])cc3C#N)[nH]c(=O)c2c1C 3534361 SKZFSKWRZAZOKY-UHFFFAOYSA-N 372.431 3.674 30 40 FHEB COc1cccc(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)c1 19804655 XBPJEJQIHZPHHO-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 20761756 AQSMETYLIPQGNM-LPYMAVHISA-N 350.374 3.777 30 40 FHEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409097257 HYWDTMHSWCOOPQ-KEBDBYFISA-N 366.333 3.702 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3219224 KROIYGQWZZMYLI-UHFFFAOYSA-N 370.408 3.872 30 40 FHEB N#Cc1cn(CC(=O)NCc2ccccc2)c2ccc(Br)cc12 59109379 DSZHRHFUQQPSJC-UHFFFAOYSA-N 368.234 3.592 30 40 FHEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(O)cc1O 409302408 FVBHNVCECKDGDW-UHFFFAOYSA-N 363.417 3.738 30 40 FHEB O=[N+]([O-])c1cc(/C=N\c2ccc(O)cc2)ccc1Sc1ncccn1 409120716 VZBLHHLFHUEPOP-JAIQZWGSSA-N 352.375 3.992 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 9483826 TUGZBJLXSWEOBG-ADLMAVQZSA-N 366.808 3.940 30 40 FHEB Cc1nn(-c2ccccc2)c(COc2ccc(CO)cc2Cl)c1C#N 95435625 MZAAJMGBUALRRZ-UHFFFAOYSA-N 353.809 3.777 30 40 FHEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC 409033860 MOPPKVGNVNZZRF-YXSASFKJSA-N 362.245 3.808 30 40 FHEB N/C(=N\O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1 44676020 WLUZWRQIWQNQRU-UHFFFAOYSA-N 374.400 3.537 30 40 FHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224871136 YSAKKALDBROMTR-UHFFFAOYSA-N 361.463 3.864 30 40 FHEB C=CCn1c(SCCCC(=O)OCC)nc2sc(C)c(C)c2c1=O 5709422 WZYPRVHNGCFQBR-UHFFFAOYSA-N 366.508 3.696 30 40 FHEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc2c(cc1Cl)OCO2 6473678 KOQIVRLLEKUSCW-CHHVJCJISA-N 358.806 3.960 30 40 FHEB N#Cc1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1Cl 10514909 SJEDLEWSLRBQMG-UHFFFAOYSA-N 371.643 3.775 30 40 FHEB N#CCSc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 40091111 DEPZFNOCEBREMD-UHFFFAOYSA-N 367.474 3.949 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 955862 HLDRIQHILPPPGC-OAQYLSRUSA-N 372.428 3.879 30 40 FHEB COc1cc(OC)c(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl 3457580 VBQCGVDQLXNBOM-LLVKDONJSA-N 359.813 3.668 30 40 FHEB C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccccc1 3485276 DXMXUINBESEOMC-UHFFFAOYSA-N 355.419 3.803 30 40 FHEB Cc1ccc(OC(=O)N2CCOCC2)c(C(=O)/C=C/c2ccccc2F)c1 4996124 NSWFJEYJZJVAKA-BQYQJAHWSA-N 369.392 3.861 30 40 FHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4)nc3c2[C@@H]1c1ccco1 5346746 MNKSZZWGOWVABM-QGZVFWFLSA-N 372.384 3.772 30 40 FHEB O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OCCCc1ccccc1 5773084 KIYULXVYRAYZCY-UHFFFAOYSA-N 369.804 3.875 30 40 FHEB CCCc1cc(NC(=O)COc2ccccc2C#N)n(-c2ccccc2)n1 7718917 LKHIJWZOVJMYDA-UHFFFAOYSA-N 360.417 3.714 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3)ccc21 8958802 NTHNQYMWWKMETL-UHFFFAOYSA-N 350.418 3.877 30 40 FHEB N/C(=N\OC(=O)c1ccc(Cl)s1)c1cccc(Br)c1 8986202 AZXPVXUMIQNTCS-UHFFFAOYSA-N 359.632 3.641 30 40 FHEB C[C@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1 15498502 IZHUWSHBCKFHET-LBPRGKRZSA-N 362.401 3.976 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/CC/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 17003592 QSPHYLMQHVNGHM-JYFOCSDGSA-N 356.342 3.779 30 40 FHEB C=CCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20045277 YDYMDBDPDJGRRH-CQSZACIVSA-N 355.434 3.932 30 40 FHEB C=CCN1c2ccc(C(=O)N[C@@H](C)CC)cc2-c2ccccc2S1(=O)=O 33271870 ZCNZNMISCQFWHE-AWEZNQCLSA-N 370.474 3.577 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC[C@H]1CO1 103539817 KMIGYHDUVWFLSB-BYPYZUCNSA-N 356.131 3.505 30 40 FHEB Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CCS1 219305720 UMCUKUMRTJJRPN-IBGZPJMESA-N 372.515 3.736 30 40 FHEB Cc1nsc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C#N 587760677 OLDPKVNSUMGQHV-CYBMUJFWSA-N 369.425 3.896 30 40 FHEB N#C[C@]1(c2ccccn2)CCCN(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1 685939006 USQNUHXZQOTNME-WAOWUJCRSA-N 352.482 3.617 30 40 FHEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccn2)cc1 4311690 YNELJTRIIVOXHH-SFHVURJKSA-N 371.396 3.568 30 40 FHEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 24154054 KDAMBQNIDDPAFP-INIZCTEOSA-N 351.362 3.579 30 40 FHEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 3272765 BNLMJDUQUYBCLZ-UHFFFAOYSA-N 369.801 3.559 30 40 FHEB N#CCCCSc1nnc(CN2CCCCC2)n1Cc1ccccc1 57530346 YKMVPJMYNJNFDO-UHFFFAOYSA-N 355.511 3.708 30 40 FHEB O=C(/C=C/c1cc(Br)c2c(c1)OCOC2)c1ccc(O)cc1 4023355 QMWDWKGODJLISL-LZCJLJQNSA-N 361.191 3.917 30 40 FHEB biogenic C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(N2CCOC2=O)c1 96291693 VOPDXXMSMOJGNI-RGVLZGJSSA-N 373.796 3.831 30 40 FHEB COc1cc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408729900 DZUVMBVOKOTNJE-LJQANCHMSA-N 368.458 3.700 30 40 FHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3)S2)cc1 408949325 AZSAZTBRTOYKOM-SFQUDFHCSA-N 354.431 3.986 30 40 FHEB CCOc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409348205 OEQGCWILBJNKPF-UHFFFAOYSA-N 359.385 3.536 30 40 FHEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409234501 LDROZIBPTBEIEJ-COOUDCDJSA-N 368.414 3.786 30 40 FHEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc3ccccc3o1)C2 96039751 KZIDOBSEQSAOPA-PZJWPPBQSA-N 355.434 3.647 30 40 FHEB FC1(F)Oc2cccc(/C=N/N=C/c3cccc4c3OC(F)(F)O4)c2O1 96171560 CEOVSVLUHVLVCE-KVJLFNRQSA-N 368.242 3.783 30 40 FHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3O)S2)c1 6266619 MGTYIOCABVEVCU-DHDCSXOGSA-N 369.402 3.809 30 40 FHEB C#CCOc1c(Br)cc(C(=S)N2CCCCC2)cc1OC 6380880 XQTCRTIPXVMNBZ-UHFFFAOYSA-N 368.296 3.631 30 40 FHEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1C 59223978 GGVNITLBZDJAMH-SXGWCWSVSA-N 369.402 3.809 30 40 FHEB CCCCCCCOC(=O)[C@H](C#N)[C@H](c1ccccc1)[C@H]1C(=O)NN=C1C 102758773 YQUYDXZBSKSRRB-QYZOEREBSA-N 369.465 3.545 30 40 FHEB Cn1c(SCC(=O)N(CC#N)c2ccccc2)nc2cc(Cl)ccc21 48354923 ZAKLQHJPTYQKMQ-UHFFFAOYSA-N 370.865 3.876 30 40 FHEB C=C(C)CSc1nnc(SCC(=O)N(CCC)CC2CC2)s1 12905127 ZTENIUBNLLIEML-UHFFFAOYSA-N 357.570 3.947 30 40 FHEB COc1ccc(CN(C)/C(S)=N\CCc2ccccc2)c(OC)c1OC 13656273 HGGIRFOTPQJNSB-UHFFFAOYSA-N 374.506 3.673 30 40 FHEB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Oc3ccc(C#N)cc3)c12 14898436 USNSAHIDLHQQDD-UHFFFAOYSA-N 358.357 3.628 30 40 FHEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 4863921 YMYHSYDYLFVGSA-SFHVURJKSA-N 360.369 3.766 30 40 FHEB CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 5921688 QXYLFNQJVNBURI-INIZCTEOSA-N 357.793 3.605 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 7594338 NMTWBECFGIMHLC-UHFFFAOYSA-N 356.816 3.630 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 408959633 CGTMVIXDIWKCHH-CPNJWEJPSA-N 369.381 3.939 30 40 FHEB C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 32448487 ICJVYKFJEVGMLI-UHFFFAOYSA-N 350.462 3.777 30 40 FHEB Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nccs2)cc1C 5000340 VGPLUDJWOWZFOP-UHFFFAOYSA-N 351.435 3.789 30 40 FHEB CCOC(=O)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 6349805 LJSOKPBELHQGNU-YBFXNURJSA-N 355.419 3.684 30 40 FHEB Cc1nc(N/N=C/c2ccc(Br)cc2)cc(N2CCCCC2)n1 4595613 HKRQOISDEHVMEE-XDHOZWIPSA-N 374.286 3.984 30 40 FHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 3191397 KPGYXSNWHOYTSS-KRWDZBQOSA-N 355.434 3.664 30 40 FHEB CN(C)CCCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n12 4115356 WASBZJCVSTVJFG-UHFFFAOYSA-N 361.371 3.742 30 40 FHEB CS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 4517892 IAWTWZSXKAYTKO-UHFFFAOYSA-N 374.487 3.544 30 40 FHEB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)oc2ccc(F)cc12 7831528 PDXYQDSJBCALJH-JTQLQIEISA-N 372.377 3.998 30 40 FHEB C=CCN(Cc1cc(=O)n2ccsc2n1)Cc1ccc(Cl)s1 8163287 MFLVXIZHWZFJNQ-UHFFFAOYSA-N 351.884 3.659 30 40 FHEB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccccc2C#N)c1 32778975 ACYPHYIKWPVKMM-UHFFFAOYSA-N 363.446 3.698 30 40 FHEB O=Cc1ccccc1OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 95117263 QPXVHDAQAUALSG-QGZVFWFLSA-N 373.408 3.688 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 95974324 ZOILYAKJOJOCBF-KXBFYZLASA-N 352.409 3.535 30 40 FHEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102798223 PIBUADMXOIBKEU-VVWQDTPRSA-N 366.808 3.849 30 40 FHEB C[C@]12CC(=O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118928957 XRYZUTZZFFLDKN-SYVORCANSA-N 350.886 3.810 30 40 FHEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225926214 OGVGXIDRNPVKBN-UHFFFAOYSA-N 354.357 3.760 30 40 FHEB OC(=Nc1ccnc(OCc2ccccc2)c1)N1CCOC2(CCCC2)C1 328648892 IISSZXKUGBCJTH-UHFFFAOYSA-N 367.449 3.851 30 40 FHEB Cc1ccccc1/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408848720 SQARBDBSWVJJDQ-OEAKJJBVSA-N 361.445 3.559 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(F)cc1 2487254 PQHGYSBJKMVMGD-HOCLYGCPSA-N 374.437 3.594 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608775 ICNFPDFLHHOPLF-FOIQADDNSA-N 360.417 3.904 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 3456452 XQIPNCOKQTUPHP-UHFFFAOYSA-N 358.195 3.554 30 40 FHEB COc1ccc(-c2nc(CC(=O)NCC#Cc3ccccc3)cs2)cc1 14227469 WRBYKXJNXSECED-UHFFFAOYSA-N 362.454 3.529 30 40 FHEB CCCSc1nnc(N/N=C(\C)c2ccc(Br)cc2)[nH]1 20608326 VQDXKRJXRNOIKC-CXUHLZMHSA-N 354.277 3.905 30 40 FHEB Cc1cc(N2CCOCC2)ccc1/C=N/c1cc(C(=O)O)ccc1Cl 409098899 MOPONTWJXFJMOL-CIAFOILYSA-N 358.825 3.934 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)C3CCC(C(F)F)CC3)CC2)OC1(C)C 1776000158 HADLYDVFVSVKET-UHFFFAOYSA-N 369.261 3.848 30 40 FHEB Sc1nnc(-c2ccccc2)n1/N=C\c1ccc(Br)s1 5903132 GVJUFZUTDHGHRG-NVNXTCNLSA-N 365.281 3.940 30 40 FHEB N#CCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 20628859 ITOFEGJZMMMCRK-UHFFFAOYSA-N 363.247 3.758 30 40 FHEB Cc1ccc(N2C(=O)C[C@@H](/C(O)=N/c3ncn[nH]3)[C@@H]2c2cccs2)cc1 23141095 AFJHKUXJNWUGHS-CZUORRHYSA-N 367.434 3.557 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H](C)[C@H]21 106138659 ZSUNPDNTZRFPDR-UQASEVPWSA-N 356.514 3.773 30 40 FHEB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sccc1C#N 57392141 IAKGDFGLUYGVQT-NSHDSACASA-N 356.476 3.861 30 40 FHEB Cn1c(N/N=C/c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 4598742 APHIDUHBQLZORK-DJKKODMXSA-N 358.854 3.583 30 40 FHEB CCOC(=O)c1sc(Cc2ccc(Br)cc2)c(C#N)c1N 225850326 PZXOCLBSFGWZJW-UHFFFAOYSA-N 365.252 3.732 30 40 FHEB C[C@H](c1cccc(C#N)c1)N(C)c1nnc(-c2scnc2C2CC2)n1C 1121437253 ZYPPBUIJBIJIKE-GFCCVEGCSA-N 364.478 3.885 30 40 FHEB CCOC(=O)[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 390823097 SIJWIHVPJIPJGZ-VKHMYHEASA-N 374.121 3.991 30 40 FHEB CN(C)c1ccc(/C=N\c2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1 17300170 WJRISLCESOLFPX-NDENLUEZSA-N 370.430 3.609 30 40 FHEB C=C(COC(=O)C(C)C)[C@H]1Oc2cc(C(C)=O)ccc2[C@@H]1OC(=O)C(C)C 31165971 CPDCJXCECPCPNL-MOPGFXCFSA-N 374.433 3.646 30 40 FHEB biogenic,in-vitro CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 6463481 GLOOSZWQGWSNQJ-MFOYZWKCSA-N 358.777 3.898 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 2055162 YZIBORGQMJCCMQ-LJQANCHMSA-N 355.434 3.616 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)CCc1c[nH]c2ccccc12 4090251 SESGESYAKBHTJC-JMIUGGIZSA-N 360.413 3.585 30 40 FHEB biogenic O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccco1 4304438 ZBOWLFYYHHLFEU-YIWUSOAVSA-N 368.392 3.506 30 40 FHEB CC(=O)Nc1cccc([S@](=O)C(F)(F)C(F)(F)C(F)(F)F)c1 5412300 OOSBYRCHSWWRBL-JOCHJYFZSA-N 351.243 3.543 30 40 FHEB CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 5527817 NZRACXOBLXBSFK-IVDWBNGSSA-N 374.477 3.672 30 40 FHEB biogenic C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 5847716 YRSKPKJWAXSMMS-AWEZNQCLSA-N 371.487 3.674 30 40 FHEB CC(C)CNc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 7249965 BYCRDWBJPHDVGU-NSHDSACASA-N 361.496 3.597 30 40 FHEB COc1ccc(/N=C2/S[C@@H](Cc3ccc(OC)c(C)c3)C(=O)N2C)cc1 8336400 RGBWDOSJEIIIJG-MKSIGINJSA-N 370.474 3.816 30 40 FHEB N#Cc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 8985198 JTVUSUILMMXMPO-UHFFFAOYSA-N 360.822 3.812 30 40 FHEB Cc1ccc(-c2nc3n(c(=O)c2C#N)CN(c2ccc(C)cc2)CS3)cc1 12250603 NCJGQVIUMTZJNI-UHFFFAOYSA-N 374.469 3.926 30 40 FHEB Cc1cc(C)nc(N/N=C/C2=C(O)C[C@H](c3ccc(F)cc3)CC2=O)n1 18354703 UWJSHNXLMLDXFZ-MNUWJXFPSA-N 354.385 3.589 30 40 FHEB CCCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 28637124 PBGGNXWMYSRFBC-UHFFFAOYSA-N 356.445 3.775 30 40 FHEB C=CCN1C(=O)/C(=C\c2cn(CCC)c3ccccc23)C(O)=NC1=S 33332488 OFOAVAZUCVLUQI-PTNGSMBKSA-N 353.447 3.704 30 40 FHEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCOc1ccccc1Cl 46084695 WJIIVPVWZRHTTB-RGEXLXHISA-N 351.189 3.597 30 40 FHEB C[C@H](O/N=C(/N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 78696009 ZHXCHAWYIKNMKX-KGLIPLIRSA-N 371.868 3.538 30 40 FHEB COc1cc(OC)c(C(=O)/C=C/c2cnc3nc(C)cc(C)n23)cc1Cl 78899225 UEEOHEHGGTVKBE-AATRIKPKSA-N 371.824 3.913 30 40 FHEB COc1cc(/C=N/c2ccc(I)cc2)ccc1O 100003680 BDUZFRIHHIEADR-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072247 CETHISOQONSOSM-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(/C=N/O)o3)cc2)cc1 226306487 ZRLHMTLNFIMNLM-XDHOZWIPSA-N 372.402 3.564 30 40 FHEB Cc1ccc(S(=O)(=O)O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 255972716 FUDMVFNEBLKJIF-YLJYHZDGSA-N 359.491 3.611 30 40 FHEB N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnc2n1CCCCC2 41509446 JLQYKCGFFCHNLQ-OAHLLOKOSA-N 364.380 3.894 30 40 FHEB COc1cc(/C=N/Nc2nc(-c3ccncc3)nc3ccccc23)ccc1O 4979843 OZOKFNMSRTUXEU-YDZHTSKRSA-N 371.400 3.852 30 40 FHEB Cc1cc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)ccc2[nH]1 48234606 INOWMBRWBATPQM-UHFFFAOYSA-N 359.433 3.598 30 40 FHEB O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 2412579 GHXRGSAUNOTDED-IPLHWJFFSA-N 362.212 3.806 30 40 FHEB COc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 6167219 IRDZCICZLQGGOK-NVNXTCNLSA-N 356.374 3.646 30 40 FHEB biogenic Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2C)c1 408589015 KJCPPUWEQMAVOS-PYTCLURRSA-N 373.456 3.544 30 40 FHEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1Br 14425987 LRWMWKKWMGXOQZ-GFCCVEGCSA-N 359.223 3.577 30 40 FHEB COc1ccc(C)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 7060194 CLWWWVJNZWEURL-UHFFFAOYSA-N 355.463 3.926 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7709691 NWWOJUOSBVYYGT-UHFFFAOYSA-N 374.487 3.650 30 40 FHEB COC(=O)c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 30735474 OERKMHKTHMNFNV-YVNNLAQVSA-N 366.446 3.803 30 40 FHEB C=CCn1c(C)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 47996165 UKELKYFJAZYTCC-OAHLLOKOSA-N 369.494 3.887 30 40 FHEB Cc1ccc([C@@H]2O[C@@]34CCCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5054399 PKDKTLASUVQSFI-ZCLUNYJNSA-N 360.417 3.894 30 40 FHEB O=[N+]([O-])c1ccc(N2CCCC2)cc1NN=C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 12658720 ZJRIQEHJHVZBHS-BENHVRMASA-N 370.453 3.534 30 40 FHEB N#C/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2s1 3172086 UEKRDCIZEHRSEE-KGENOOAVSA-N 355.806 3.963 30 40 FHEB Cc1nn(C)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 5693105 RKQXQQOGLPMJCZ-IBGZPJMESA-N 364.493 3.995 30 40 FHEB CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 5695105 HKSWKYJZPHBGJD-UHFFFAOYSA-N 373.206 3.699 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 9332303 CVCOYXOHPRKTMB-MGPUTAFESA-N 360.392 3.833 30 40 FHEB Fc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408853289 NBARQBWQSSMYMI-ZDLGFXPLSA-N 353.191 3.768 30 40 FHEB N#Cc1cc(C(=O)NC2(Cc3ccccc3Br)CC2)ccc1F 558023684 BORPYXAWJSKXLK-UHFFFAOYSA-N 373.225 3.965 30 40 FHEB CN(CCC#N)c1ccc(/C=C/C(=O)c2ccc([S@@](C)=O)cc2)cc1 1554502497 FETADMAQFKSCAQ-FQCFFEASSA-N 352.459 3.670 30 40 FHEB O=c1nc(N/N=C/c2ccccc2Cl)sc2ccc([N+](=O)[O-])cc12 4522492 ORPXVDQRBJRTHH-CAOOACKPSA-N 360.782 3.664 30 40 FHEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4545758 NQIGULMINLBOAR-KYZQYKSOSA-N 374.440 3.770 30 40 FHEB CN(C)S(=O)(=O)c1ccc(Cl)c(/N=C/c2ccc3ncccc3c2)c1 4869379 DKXMHHIWONDCKJ-CIAFOILYSA-N 373.865 3.889 30 40 FHEB CC(C)c1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1 5836455 GFUFMIZBTAOYRK-IUOVYFEOSA-N 367.474 3.680 30 40 FHEB C=CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 9051334 GOFSYVKDCHESCX-UHFFFAOYSA-N 359.813 3.556 30 40 FHEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1cccc(CC)c1)C2 96229951 RCXBOLUTWQKTMT-NRFANRHFSA-N 355.482 3.814 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(Cl)c21 100910048 BDBSRJRMMAAVSB-VZCXRCSSSA-N 368.845 3.933 30 40 FHEB N#Cc1ccc(-n2nccc2NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 597228095 CZMAMGFBGVFZJB-CRAIPNDOSA-N 356.376 3.898 30 40 FHEB CC/C(O)=N/C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)N1 2257613 QGQLJVJCWYLQET-QGZVFWFLSA-N 363.396 3.820 30 40 FHEB C=C(Cl)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 2393898 YRBZARLNDFRBCX-UHFFFAOYSA-N 357.189 3.602 30 40 FHEB C(=N\N1CCN(c2ccccn2)CC1)\c1cccc(OCc2ccccc2)c1 5010121 YBWSOZFLRHWWGC-BWAHOGKJSA-N 372.472 3.817 30 40 FHEB COc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccccc1C#N 5738385 WDFXKYIKDCCWMQ-ZVHZXABRSA-N 358.401 3.987 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 12615523 KYEALTQSYSPVJA-HNNXBMFYSA-N 350.393 3.781 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2ccccc2C#N)c1 32903128 IPSGIZQFFWQMCB-UHFFFAOYSA-N 357.479 3.509 30 40 FHEB Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 41560233 HLMCJXLDTSQZPY-SFHVURJKSA-N 371.444 3.566 30 40 FHEB CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)o2)cc1 49170188 GLIBWDWARVNVQN-IBGZPJMESA-N 373.460 3.664 30 40 FHEB biogenic,in-vitro CC[C@H](OC1CCCC1)/C(O)=N/S(=O)(=O)c1cccc2cnccc12 73300775 CKAXEKOEWBEQFV-INIZCTEOSA-N 362.451 3.618 30 40 FHEB COc1cc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])ccc1OC(F)F 83923532 OFOWVQBYVSGVRH-QHHAFSJGSA-N 365.288 3.807 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 95952906 BQXXKOLVEXDZNC-UHFFFAOYSA-N 373.290 3.984 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 95974326 ZOILYAKJOJOCBF-HNAYVOBHSA-N 352.409 3.535 30 40 FHEB O=C1C[C@H]2c3ccccc3CCN2C(=O)/C1=C/Nc1ccc(Cl)cc1 100916868 ZVPARHIXMDCHFW-WQJNHMDYSA-N 352.821 3.735 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2\C[C@]34CCCC[C@@]35C[C@@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 104281952 HNFGDJSRIPJISB-WJTWFOLKSA-N 372.381 3.783 30 40 FHEB CSC(=S)Nc1ccc(S(=O)(=O)N=C(SC)SC)cc1 141072217 BTZGWHCSRGKELG-UHFFFAOYSA-N 366.580 3.517 30 40 FHEB C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)[C@H]1OCCc2sccc21 584515830 PBLUIHOZFXKNEJ-ORAYPTAESA-N 352.459 3.849 30 40 FHEB COc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1 917565 DPIQNLQVBXACBC-CXAGYDPISA-N 369.490 3.902 30 40 FHEB Cc1c(C)c2ccc(OCC(=O)Nc3cccc(C#N)c3)c(C)c2oc1=O 793113 BKOUBEMOCXYLIM-UHFFFAOYSA-N 362.385 3.607 30 40 FHEB CCN(CC)Cc1ccccc1NCC(=O)NC1(C#N)CCCCCC1 55869114 PTJFMQPNTGDIMP-UHFFFAOYSA-N 356.514 3.673 30 40 FHEB C=CCc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(OC)c1OC 28665520 QFYIZAJFBRHCAT-QGZVFWFLSA-N 353.418 3.686 30 40 FHEB N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 3455936 NVLXJEDHMLHSMQ-INIZCTEOSA-N 363.442 3.910 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 19854745 IAAIUGODCUHJCO-LJQANCHMSA-N 354.450 3.639 30 40 FHEB C=CCn1c(-c2ccncc2)nn(CC(=O)Nc2ccccc2C)c1=S 16768597 CAOSURKQGJNFOF-UHFFFAOYSA-N 365.462 3.609 30 40 FHEB CCOc1ccc(C(=O)CN2C=CC(=C3C=CC(=[N+](C)C)C=C3)C=C2)cc1 18191540 UNXBWUICXUJWNP-UHFFFAOYSA-N 361.465 3.747 30 40 FHEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 118929439 MIMWIEDHKNCDAS-DQEWAUSSSA-N 360.469 3.953 30 40 FHEB OC[C@@]1(C#Cc2ccccc2)COc2ccccc2N1Cc1ccccc1 306145415 DVZDCNPAJMLAQF-DEOSSOPVSA-N 355.437 3.868 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 3347107 JVVBFHGPAXSNLB-INIZCTEOSA-N 364.858 3.537 30 40 FHEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC 2347176 VGOZTVONWLOFNF-OAHLLOKOSA-N 354.454 3.817 30 40 FHEB CCN(CCC#N)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)c1 7030627 VEHYLLXQKHRWEB-IBGZPJMESA-N 373.464 3.581 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 9355928 IXIAPVZFYYNFMK-UHFFFAOYSA-N 364.854 3.544 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccccc1 16737259 KPZYRTMMBCWDLD-LJQANCHMSA-N 363.413 3.850 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccccc1 16956808 PPEZDBPTJBHWJX-RDYJYZNMSA-N 353.447 3.549 30 40 FHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 20094980 NIRRINNIYYSZPZ-SGTLLEGYSA-N 366.421 3.894 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N(C)C)o2)cc1 27793364 DLUSJMYBHISVNW-INIZCTEOSA-N 368.462 3.998 30 40 FHEB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 40116755 QNZDHWIYYZERDP-GOSISDBHSA-N 373.334 3.544 30 40 FHEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCCOc1ccccc1Cl 46084877 AKAPQLNILPOEAI-FXBPSFAMSA-N 358.825 3.951 30 40 FHEB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCC#N)Cc1ccco1 58229260 GRMBFJYBFGLLPG-UHFFFAOYSA-N 362.433 3.567 30 40 FHEB Cc1ccc(/N=C/N(C)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59102213 JKNHMDPARRSKQE-CXUHLZMHSA-N 359.298 3.516 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OC)c21 100909646 KXBCNPFIJQHVNZ-MRCUWXFGSA-N 366.442 3.841 30 40 FHEB C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(/C)C(=O)OC)C2(C)C)CC1=O 221516736 VJFUPGQZSXIULQ-HTNYLFFISA-N 372.461 3.711 30 40 FHEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766006 CPKRQYRDOSTVTI-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]21)c1ccccc1 409370157 MCFPMGBBVDJZAI-YHBROIRLSA-N 366.420 3.953 30 40 FHEB O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cccs1 2196092 LSWNROCMPUNETI-UHFFFAOYSA-N 356.428 3.751 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3ccccc3OC(F)(F)F)cc2N1 12799445 HPHOHTOVEGNIMF-FNORWQNLSA-N 363.291 3.812 30 40 FHEB CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(C)cc(C)c1O 55146006 RAZUSMGSKICUDW-CZIZESTLSA-N 360.479 3.882 30 40 FHEB CC(C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2258743 GEHYARGEFQJDRP-MRXNPFEDSA-N 366.465 3.672 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502366 YHRMIFSXFOSEOD-MGPUTAFESA-N 360.417 3.904 30 40 FHEB Cc1ccccc1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 6785885 UYSWFMBILFYPLU-UDWIEESQSA-N 360.446 3.815 30 40 FHEB N/C(=N/OCc1nnc(-c2ccccc2C(F)(F)F)o1)C1CCCC1 71817042 WQRDIIRHXLHSOG-UHFFFAOYSA-N 354.332 3.734 30 40 FHEB N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)[nH]1 89826343 LPLVBIWBIOJWMK-SFHVURJKSA-N 354.413 3.930 30 40 FHEB O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCOc1ccccc1 46084797 VDEIEMLXKVWJCG-RGEXLXHISA-N 351.189 3.597 30 40 FHEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)c1 5697674 RPXWBUFCKMUBAU-SXGWCWSVSA-N 369.402 3.809 30 40 FHEB N#Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 3448247 MIXZOSRDWDHAJG-UHFFFAOYSA-N 366.380 3.510 30 40 FHEB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C1CC1 22185577 ITANECAGCUUNFJ-QGZVFWFLSA-N 369.387 3.715 30 40 FHEB CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2C)c(C#N)c1C 1965108 URMSIIMSABPOIQ-UHFFFAOYSA-N 372.446 3.739 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2)c1C#N 796538 RZSAKVDOHRRPFQ-UHFFFAOYSA-N 361.854 3.792 30 40 FHEB COc1ccc(-c2c(C#N)c(SCC(=O)O)nc3c2CCCC3)cc1 6953568 HASZREZYKUXWLL-UHFFFAOYSA-N 354.431 3.684 30 40 FHEB CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1OC 24764775 RSKVKEVNDLPUQJ-HNENSFHCSA-N 359.451 3.821 30 40 FHEB CC(C)N1C(=O)/C(=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 103384191 WMAUILYSKBMJPH-LTGZKZEYSA-N 357.797 3.609 30 40 FHEB COc1ccccc1N(CCC#N)C(=O)CSc1nc2ccccc2[nH]1 2661936 XWASXPBGKIFLHE-UHFFFAOYSA-N 366.446 3.610 30 40 FHEB N#C[C@H]1C(=O)NC(=O)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 28465189 FEHVOEHVPWXOMC-GOEBONIOSA-N 365.458 3.640 30 40 FHEB CN(C)c1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 4083515 LPOAFDBZDOMCIL-RCCKNPSSSA-N 363.490 3.864 30 40 FHEB COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Cl)cc2)c1 5669046 WPROYJVVXSOJPW-QGZVFWFLSA-N 357.793 3.838 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 18142728 ITGSYBXLPBHOKG-OAHLLOKOSA-N 373.865 3.896 30 40 FHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409307007 SSOJZWNDVLQPPR-UHFFFAOYSA-N 373.254 3.503 30 40 FHEB CC(=O)O/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 85346700 MXKYGKUHHBQGTJ-VIZOYTHASA-N 353.128 3.514 30 40 FHEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)c1 1775971801 VGGVJIWQOYEZRO-HNNXBMFYSA-N 370.840 3.930 30 40 FHEB N/C(=N\c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2)CC1 15922242 HTWVBUISVTWBIE-UHFFFAOYSA-N 363.292 3.757 30 40 FHEB Clc1ccc(/C=N\N2CCN(/N=C/c3ccc(Cl)cc3)CC2)cc1 17422806 NHCAXMHWFOFFLT-VOKWCDJLSA-N 361.276 3.979 30 40 FHEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5782856 DYFBKBQLXXUQQR-JAIQZWGSSA-N 373.364 3.926 30 40 FHEB biogenic COc1cc(C(=O)/C=C/c2ccc(OCC#N)cc2)cc(OC)c1OC 5852377 QJDQGDGYXMOBSA-RMKNXTFCSA-N 353.374 3.511 30 40 FHEB N#Cc1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 7054622 UXMHSUIERVPCAB-JXMROGBWSA-N 361.426 3.924 30 40 FHEB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 22608377 VLOAVPZSDFKZFY-RFAUZJTJSA-N 360.870 3.921 30 40 FHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c1 59459426 NNUVUXKJNIZTQC-SXGWCWSVSA-N 369.402 3.809 30 40 FHEB N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 78758210 WYVIJGMIBKKDGL-HZPDHXFCSA-N 373.225 3.880 30 40 FHEB O=C1C(Nc2ccccc2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 100119271 FTQMFDAFXFUHJY-UHFFFAOYSA-N 366.380 3.791 30 40 FHEB N#CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 192690403 ZTABSHXBANWIAZ-SFQUDFHCSA-N 366.467 3.990 30 40 FHEB Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(/C=N/O)o3)cc2)cc1 226306476 CANSMBZQURAWOT-XDHOZWIPSA-N 356.403 3.864 30 40 FHEB OC(=Nc1cnc2c(c1)CCCC2)N1CCO[C@@]2(CCc3ccccc32)C1 329474287 SSQOJXDZIBGWHH-QFIPXVFZSA-N 363.461 3.680 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409184268 JXNDLRRBCHFSHZ-CIAFOILYSA-N 355.390 3.554 30 40 FHEB CC1(C)OB(c2c(Br)cc(F)c(Cl)c2F)OC1(C)C 642814619 NFTBWGJBLFYUAH-UHFFFAOYSA-N 353.399 3.680 30 40 FHEB CCOC(=O)c1sc(NC(=O)CSc2ccccc2)c(C#N)c1C 2764479 JGPYESOBPSRZRL-UHFFFAOYSA-N 360.460 3.836 30 40 FHEB O=C1C(Cl)=C(NCC[C@@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21 104232741 KHKZPCAJCDWDIV-WMLDXEAASA-N 372.896 3.760 30 40 FHEB CCCn1c(SCc2cccc(C#N)c2)nc(C(F)(F)F)cc1=O 1383398 AIASOJCAFHTTEM-UHFFFAOYSA-N 353.369 3.836 30 40 FHEB C=CCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c1C 100765353 CIENNDMRUBRJLT-PMACEKPBSA-N 355.457 3.531 30 40 FHEB COC(=O)COc1c(/C=C2\Sc3ccccc3C2=O)cccc1OC 408533905 RHQOAJOYPRKKPH-YBEGLDIGSA-N 356.399 3.577 30 40 FHEB COc1cc(-c2c(-c3ccc(C)cc3)c[nH]c(=N)c2C#N)ccc1OCC#N 408984630 IRZNUOITVYJVJB-UHFFFAOYSA-N 370.412 3.919 30 40 FHEB COCCCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccccc1 409097955 HVLSLSXXWQZBEZ-ZZQWWYRBSA-N 355.463 3.666 30 40 FHEB Fc1c(F)c(F)c(-c2nn3c(C(F)(F)F)nnc3s2)c(F)c1F 226293865 OILRXQGYYXDULD-UHFFFAOYSA-N 360.189 3.567 30 40 FHEB N#CCCn1cc(-c2csc(CN3CCOCC3)n2)c2ccccc21 78594752 SVMLKKNBULYKGU-UHFFFAOYSA-N 352.463 3.511 30 40 FHEB Cc1c(C#N)c(NC(=O)CCN2CCC(C)CC2)n(Cc2ccco2)c1C 12981933 SZGYEPDAWQENDI-UHFFFAOYSA-N 368.481 3.678 30 40 FHEB CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 4937859 NRBHCSIBRSJHSG-QPNCIOBRSA-N 357.435 3.532 30 40 FHEB N#Cc1c(NC(=O)CN2CCc3sccc3C2)sc2c1CCCC2 57398965 VAJAPRRMXHOMFF-UHFFFAOYSA-N 357.504 3.557 30 40 FHEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC)CC 2303077 WJBOQQZSUGHHEO-MRXNPFEDSA-N 367.497 3.780 30 40 FHEB N#Cc1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 3892569 ZPTCNXHUIWZYSE-UHFFFAOYSA-N 350.399 3.857 30 40 FHEB COc1cccc(-n2cnnc2S[C@@H](C#N)Cc2ccc(C)cc2)c1 6606972 VDGPMLRKWPAPTG-GOSISDBHSA-N 350.447 3.811 30 40 FHEB Cc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1 9530429 MEUTVBORJGBBSR-GRSHGNNSSA-N 352.386 3.942 30 40 FHEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 9422356 HURCAWDZPPGFJD-GRSHGNNSSA-N 360.369 3.643 30 40 FHEB C=CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 409379397 WSMOQUFTYHVLNZ-BKUYFWCQSA-N 354.406 3.558 30 40 FHEB Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)C2 611247206 HIGCRYPKMAIIKN-JOCHJYFZSA-N 358.441 3.795 30 40 FHEB C[C@@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 48749114 IZYLHWRHICBASN-HZPDHXFCSA-N 353.441 3.601 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc2cccnc12 12389782 FLLBJRLLAYBILG-KRWDZBQOSA-N 361.405 3.840 30 40 FHEB Cc1c(/N=C/c2cc3c(cc2Cl)OCO3)c(=O)n(-c2ccccc2)n1C 100470918 DOBGRWYDJGQMNP-UFFVCSGVSA-N 369.808 3.617 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102616149 RARZYWLDHNMAHD-LFVOPCPISA-N 374.371 3.847 30 40 FHEB CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O 2332049 WWBJYSXXPCKNMT-UAQCVPFCSA-N 367.474 3.939 30 40 FHEB Cc1c(C=C2C(=O)CC(C)(C)CC2=O)c(O)n2c(nc3ccccc32)c1C#N 3098601 WCAYOWSCDGENKI-UHFFFAOYSA-N 373.412 3.715 30 40 FHEB C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)c2nc3ccccc3nc21 3272355 FVLNLZCRDYSIEG-UHFFFAOYSA-N 357.417 3.913 30 40 FHEB Cc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(NCc2ccccc2)n1 4819483 CYJFBURBBCQKBM-HZHRSRAPSA-N 360.465 3.909 30 40 FHEB CCOc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)C(F)(F)F)cc1 6710564 CBPKJGJDILVQPA-UHFFFAOYSA-N 372.368 3.847 30 40 FHEB COc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2OC)cc1 6831429 XMNMVRXQGKTOIL-UHFFFAOYSA-N 366.446 3.957 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 8335364 IZCLKOXHQXVAFP-AWEZNQCLSA-N 366.417 3.812 30 40 FHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cccc(OC)c2OC)c1C 9313772 HHSIFVUDPNSEOF-ZHACJKMWSA-N 357.406 3.722 30 40 FHEB COc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 57315466 WFRSWIJGHDRZRF-UHFFFAOYSA-N 374.444 3.544 30 40 FHEB O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCC#Cc1ccccc1 58216701 CWOBBIIDKANNBP-UHFFFAOYSA-N 364.445 3.583 30 40 FHEB COc1ccccc1OCC#CCNC(=O)c1cccc(C(F)(F)F)c1 90610366 AEUQYSKXSLVIQR-UHFFFAOYSA-N 363.335 3.526 30 40 FHEB CCc1cc(Br)c2c(c1)N[C@@]1(C=C(C)OC(O)=C1C(C)=O)O2 100489955 XLFJCPPRDUFRRG-INIZCTEOSA-N 366.211 3.805 30 40 FHEB COc1ccc(N/N=C2/Sc3nc4cc(C)c(C)cc4n3C2=O)cc1 101198351 WSTHOFICRRELRH-LTGZKZEYSA-N 352.419 3.833 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)SC1=S 212110894 WADGSQWUQGWDPL-XYOKQWHBSA-N 357.403 3.684 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307715 GYPDOXQXWMKVFQ-UHFFFAOYSA-N 374.849 3.947 30 40 FHEB CCOC(=O)c1ccc(N/N=C(\C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 5953233 QPEGYEDBOGAVJL-XDHOZWIPSA-N 357.366 3.616 30 40 FHEB C=CCc1cc(OCC)ccc1OCC(=O)NCc1ccc(OC)cc1 6638676 IZNAETZVHXJJEH-UHFFFAOYSA-N 355.434 3.518 30 40 FHEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 8369136 ZUSZEYDBYHYFGF-UKWGHVSLSA-N 362.813 3.791 30 40 FHEB NC(=S)N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8379130 MQUJPBRVYRSVJO-CAOOACKPSA-N 366.855 3.567 30 40 FHEB CCc1ccc(OCc2cc(/C=N/n3cn[nH]c3=S)ccc2OC)cc1 8483651 AJBHJJNCXWXQKK-SRZZPIQSSA-N 368.462 3.973 30 40 FHEB CC1=C[C@H](C)[C@@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@@H](C)C1 8743548 NCQAORGGTQHOSV-DGBKGYIMSA-N 364.449 3.964 30 40 FHEB COc1cc(C(=O)Oc2ccc(C#N)cc2)cc(OC)c1Br 15578436 CMWXINSNSSHMBU-UHFFFAOYSA-N 362.179 3.557 30 40 FHEB N#C[C@H](c1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 72308609 FHPABCBPODTRGR-UXHICEINSA-N 351.425 3.926 30 40 FHEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225088535 CNBLROJYMAXGHM-UHFFFAOYSA-N 368.361 3.563 30 40 FHEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2313157 RDGOHEARHPQWCX-MRXNPFEDSA-N 365.481 3.534 30 40 FHEB CCN(CC)c1ccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)cc1 3172174 GISIIDUSLCZFMT-PTGBLXJZSA-N 350.510 3.997 30 40 FHEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccc(Cl)nn1 6566458 LAXBGBFWZVOAER-UFWORHAWSA-N 365.199 3.863 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7017366 DZNYSRJUJSZSSA-ZDUSSCGKSA-N 350.374 3.569 30 40 FHEB C=CCn1c(=O)c(C(=O)Nc2cc(F)ccc2C)c(O)c2ccccc21 12414643 FRJTYBMYFFQAEG-UHFFFAOYSA-N 352.365 3.593 30 40 FHEB Cc1ccsc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21 22608722 FSQMMTFWANCZJS-MEDUHNTESA-N 352.419 3.657 30 40 FHEB N#Cc1ccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1Cl 32759959 PNCYRGAICLISAD-UHFFFAOYSA-N 365.723 3.584 30 40 FHEB C=CCO[C@@H](C)C(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 58218498 GBYYLEGWFURSOB-OLZOCXBDSA-N 373.478 3.537 30 40 FHEB CCc1nc([C@H](C#N)C(=O)/C=C/c2ccc(NC(C)=O)cc2)sc1C 83817762 LEUPFHRJCKLHFN-OJXHRBAXSA-N 353.447 3.862 30 40 FHEB Cc1noc2nc(C3CC3)cc(C(=O)OCCOc3ccc(C#N)cc3)c12 97134624 UMADYMZHLTXYBO-UHFFFAOYSA-N 363.373 3.516 30 40 FHEB CCCCCCCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 97992795 VWRUKPDOROXOED-UHFFFAOYSA-N 374.485 3.599 30 40 FHEB C[C@H]1C[C@@H](C)CN(C(=O)CC(C)(C)CC(=O)Nc2ccc(C#N)cc2)C1 199422678 RDOYABSVOHKKCF-IYBDPMFKSA-N 355.482 3.808 30 40 FHEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(C)c1 224637879 XLVAINZUQAZALB-UHFFFAOYSA-N 361.463 3.784 30 40 FHEB C[Si](C)(C)C#C[C@]1(CO)COc2ccccc2N1Cc1ccccc1 306145525 HSONLBNVLPXVEH-NRFANRHFSA-N 351.522 3.698 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(Br)cc1 5352869 LJHPQEXPPJLYQB-DHDCSXOGSA-N 372.218 3.547 30 40 FHEB biogenic CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCc2ccccc2C1 5523422 ZBKQSHZFTAARPU-RELWKKBWSA-N 357.841 3.687 30 40 FHEB COc1ccccc1-c1nc2c3ccccc3nc(SCCC#N)n2n1 9938008 XXFMLYVPBJNLKS-UHFFFAOYSA-N 361.430 3.959 30 40 FHEB C=CCSc1nc2ccccc2n1CC(=O)NCc1ccccc1OC 12520336 IRKMBACRSZKRJA-UHFFFAOYSA-N 367.474 3.639 30 40 FHEB COc1ccc(-c2nnc(SCCC#N)n2-c2ccc(OC)cc2)cc1 12533633 BMKOCBNUKWPLPV-UHFFFAOYSA-N 366.446 3.957 30 40 FHEB C=CCNc1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)s1 14014553 BVXXNXKKHBMFTB-LBPRGKRZSA-N 360.508 3.596 30 40 FHEB COc1cc2c(c(OC)c1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 18200463 BDWROGODCAFASE-IBGZPJMESA-N 351.402 3.974 30 40 FHEB CC1=C(C(=O)OCCC#N)[C@@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O 34870934 KGHLHFMPMGPYKG-LJQANCHMSA-N 370.408 3.712 30 40 FHEB N#CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 69177262 UXLQQKGBRCCMJG-OAHLLOKOSA-N 370.403 3.679 30 40 FHEB C=CCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 73955558 NVWVBOFSLHIUPP-UHFFFAOYSA-N 351.446 3.730 30 40 FHEB C#Cc1cccc(N(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)c1 103102309 BWISUATXUDJMKY-UHFFFAOYSA-N 352.397 3.654 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(S)C[C@@H](O)C[C@@H](S)[C@]34C)[C@@H]1CC[C@@H]2O 118934955 KIBKUPGGOWPDIJ-ZDVRDQIQSA-N 356.597 3.712 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(Cl)ccc3O)C2=O)s1 136672545 RSESGAZFEOLSMV-FMCCDNIHSA-N 365.867 3.877 30 40 FHEB C/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C(=O)N1C 408928916 FZEHOWRMLYRPKR-VVKTXGKCSA-N 370.430 3.574 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 408966439 OKPIBZPMJNKZPD-OQLLNIDSSA-N 355.375 3.500 30 40 FHEB Cc1ccccc1OCc1ccc(/C=N/n2c(S)nnc2C(F)F)o1 2793204 FDUVHEPLZNRVQD-UFWORHAWSA-N 364.377 3.867 30 40 FHEB C=CCOc1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cccc1OC 5000801 GDLCDWOLHMURJS-FOWTUZBSSA-N 353.349 3.744 30 40 FHEB COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5322120 JJYHGVIIUKYWCJ-IERDGZPVSA-N 372.428 3.702 30 40 FHEB O=[N+]([O-])c1cc(/C=N/N2CCOCC2)ccc1Oc1ccccc1Cl 20823716 ZNKQLXPJYLMHPK-XDHOZWIPSA-N 361.785 3.707 30 40 FHEB CCOC(=O)CC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N 40486458 PHSGHTYSMNGDJG-UHFFFAOYSA-N 354.431 3.543 30 40 FHEB CC(C)N(C[C@H]1CCCN(c2ncccc2C#N)C1)C(=O)OC(C)(C)C 48271540 IGGIUZLBQHEBCX-INIZCTEOSA-N 358.486 3.815 30 40 FHEB C=CCN(Cc1cccs1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 58304440 QHJGFRPTWUMSKS-UHFFFAOYSA-N 356.426 3.605 30 40 FHEB N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccccn2)sc2c1CCC2 72311931 DKBNABOWUOTFQW-KRWDZBQOSA-N 366.490 3.669 30 40 FHEB CCOC1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 95953655 CADRJRSYPBXBGQ-HNNXBMFYSA-N 361.511 3.520 30 40 FHEB Cc1cccc2cc(C#N)c(NCCNC(=O)Nc3ccc(F)cc3)nc12 4881233 CHEMCKHWVXQZBW-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB COC(=O)Cn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8812029 FOLDSHJXWYQWOD-FSJBWODESA-N 369.852 3.900 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 9360961 JJEBKVFRHNKOBW-AWUQBHLUSA-N 374.477 3.838 30 40 FHEB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 3901588 KJOYYSABLGJKAE-IBGZPJMESA-N 355.434 3.616 30 40 FHEB Cc1cc(C2=NN/C(=N/C3CC3)SC2)c(C)n1CCc1cccs1 8987644 QTHOHUCRRGACRC-UHFFFAOYSA-N 358.536 3.968 30 40 FHEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=S)Nc1ccccc1 4180720 VXVTYCUJAIDDAD-CPNJWEJPSA-N 371.466 3.762 30 40 FHEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1cccs1 13720828 PARWJVHGIYNUSW-UHFFFAOYSA-N 367.499 3.626 30 40 FHEB COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)=O 5495230 SBZCJRMSSJAZEI-XDHOZWIPSA-N 364.376 3.824 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 6552023 HQQTWSHYHYFRLL-UHFFFAOYSA-N 371.396 3.828 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1OC 7141216 IGCOFFXSUQZVIX-ONNFQVAWSA-N 367.445 3.827 30 40 FHEB CC(C)Oc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409032 SQYCBEXGAGADKJ-SNHGZMDHSA-N 374.440 3.768 30 40 FHEB C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc([N+](=O)[O-])cc1 33630151 VGZFWQDESUEOLE-FOWTUZBSSA-N 350.330 3.504 30 40 FHEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218358466 YJENVMDAQKLNAC-DLBZAZTESA-N 356.834 3.622 30 40 FHEB C=CCc1cc(C(=O)NCc2cccc(CN3CCCC3)c2)ccc1OC 224614177 ZOJUKYMGPRVBRF-UHFFFAOYSA-N 364.489 3.950 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 14608145 XHODRZGDKXIESP-XXFAHNHDSA-N 373.254 3.617 30 40 FHEB C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CC(=O)C[C@@H]21)CC(=O)O 253389958 XKXZAYIPFRBKHT-NDWFYLRSSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro CC(C)c1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1 32751400 JDOODWCIGSLCHM-UHFFFAOYSA-N 353.466 3.777 30 40 FHEB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c(C#N)cnn32)ccc1O 102831746 FMJHAAJXBLRQSH-GOSISDBHSA-N 364.405 3.777 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N 693654 IIZLYBUMWXGQEG-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 3323763 AMMVKOMMBRXREQ-DHDCSXOGSA-N 366.423 3.662 30 40 FHEB N#Cc1cccc(NC(=O)COC(=O)CCSc2ccccc2Cl)c1 3337081 AGMYESLQFJAGRQ-UHFFFAOYSA-N 374.849 3.876 30 40 FHEB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C#N)cc2OCC)cc1 10978847 WXNSNIDAFUICLX-OAHLLOKOSA-N 368.433 3.612 30 40 FHEB COC(=O)c1ccc(COc2ccccc2/C=N/N2CCCCC2)cc1 3343809 BEHAQNIPMMHABI-PXLXIMEGSA-N 352.434 3.872 30 40 FHEB CCOC1(OCC)O[C@](C#N)(c2ccc(Cl)cc2)C1(OCC)OCC 4568276 YJQWRRBQCVAUBJ-MRXNPFEDSA-N 369.845 3.585 30 40 FHEB C=C(C)COc1cc(OCC(=C)C)c2c(C)c(CC(=O)OC)c(=O)oc2c1 5547250 FIVDYUHQVIRTJS-UHFFFAOYSA-N 372.417 3.727 30 40 FHEB C=C(C)CN1CCN(c2ncnc3c2sc2nc(C)cc(C)c23)CC1 6759717 KWTUMNBOQRNXRY-UHFFFAOYSA-N 353.495 3.554 30 40 FHEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 15597149 WQSNVOGHOMQQSP-VQFGERMISA-N 360.413 3.706 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccccc1Cl 7674074 FILKACYGFXEBOX-CYBMUJFWSA-N 358.825 3.754 30 40 FHEB COc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC 72311338 LIDFJFSFAIXOOB-UHFFFAOYSA-N 363.335 3.504 30 40 FHEB Cc1ccc([C@@H](CNc2oc(CC(C)C)nc2C#N)N2CCOCC2)cc1 27793533 DKDAGSLYZJMDNC-LJQANCHMSA-N 368.481 3.539 30 40 FHEB CCOc1cc(/C=N\O)cc(Br)c1OCc1cccnc1 225681466 AOSWHXULBYHEEM-NVMNQCDNSA-N 351.200 3.630 30 40 FHEB CCCCCCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 96019490 QDHZNPDHUWBHQP-UHFFFAOYSA-N 374.485 3.698 30 40 FHEB C=CCN(Cc1ccncc1)C(=O)C(O)(c1ccccc1)c1ccccc1 13214467 IBOKMCYIBFHZKK-UHFFFAOYSA-N 358.441 3.532 30 40 FHEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccs1 13306056 GQRHIWXYEDPPQA-RGVLZGJSSA-N 359.476 3.939 30 40 FHEB CN/C(S)=N/N=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 12374316 RDGYCOCKZWVGSB-JMIUGGIZSA-N 363.870 3.767 30 40 FHEB C[C@@H]1Cc2cc([C@@H](O)CN3CCC(C#N)(c4ccccc4)CC3)ccc2O1 13999863 YZOLXXUFBBCWAZ-UTKZUKDTSA-N 362.473 3.601 30 40 FHEB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1O 15932733 KLGYIJPUSMOYKL-QGZVFWFLSA-N 351.318 3.811 30 40 FHEB O=[N+]([O-])c1ccccc1N/N=C/CC/C=N/Nc1ccccc1[N+](=O)[O-] 16450240 MHAWJRYEIWVMCO-JYFOCSDGSA-N 356.342 3.779 30 40 FHEB Oc1nncc(N/N=C\c2ccc(Cl)c(Cl)c2)c1Br 31858810 IAZGAUXWCUUNJW-TVPGTPATSA-N 362.014 3.698 30 40 FHEB N#CC1=NN(c2ccc(OCc3ccccc3)cc2)[C@@H]2CCCCCN2C1=O 33436178 AGKLEMRDUDUPGJ-OAQYLSRUSA-N 374.444 3.694 30 40 FHEB Cc1ccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)cc1C 225842216 XOYRBQGMZKSDKA-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccccc2)nc2sc(C)cc2c1=O 784830 SCTCXTQDSZNIKT-UHFFFAOYSA-N 371.487 3.683 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccsc2c1=O 8884432 CLYQYVPBFCQMQF-UHFFFAOYSA-N 372.471 3.628 30 40 FHEB COc1ccc(-c2ccc(-c3nnn(Cc4ccc(C#N)cc4)n3)cc2)cc1 924218 BJAPFTVQPLUJLZ-UHFFFAOYSA-N 367.412 3.936 30 40 FHEB Cc1cccc(OCc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 646648 BUHLBPXGNGHPQO-UHFFFAOYSA-N 374.444 3.760 30 40 FHEB C#CCON(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 1736329 VKZHZZUJEYXZAF-UHFFFAOYSA-N 358.781 3.588 30 40 FHEB COc1cc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc(OC)c1OC 20517488 PHBLNZWVNUZWGL-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB Cc1cc(C)nc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)n1 6932203 LDNCLAFYQPQFMF-YDZHTSKRSA-N 369.432 3.787 30 40 FHEB N#Cc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1Cl 8776969 BTOBXWLKJUMTRR-UHFFFAOYSA-N 358.810 3.894 30 40 FHEB C=CCOc1ccc(/C=C2/N=C(c3cc(OC)cc(OC)c3)OC2=O)cc1 97987564 WSHUTGFIEOPODM-VXLYETTFSA-N 365.385 3.613 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccccc1 36774022 SKFOBVVAAJSAAK-UHFFFAOYSA-N 362.882 3.736 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N\n1c(-c2ccccc2)n[nH]c1=S 1473756 VMZMTPLUJWCQGH-ODLFYWEKSA-N 370.434 3.516 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12 806680 FJJRKQUVBYDXEB-UHFFFAOYSA-N 360.369 3.915 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 2463562 ZJRDFCZNGYQAJZ-WBVHZDCISA-N 370.474 3.763 30 40 FHEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C1/C(O)=Nc2ccccc21 3166628 YVSUOUYIJWMUJL-UHFFFAOYSA-N 359.172 3.741 30 40 FHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 4328621 OZJNKDSTJLXAQD-UHFFFAOYSA-N 367.412 3.529 30 40 FHEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4871993 LXIKOIKPIJSPJE-XAIYEJPOSA-N 373.865 3.930 30 40 FHEB CNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 7359588 NRDADOZHVSYYLU-UHFFFAOYSA-N 357.382 3.539 30 40 FHEB N#Cc1ccsc1NC(=O)CSc1nccn1Cc1ccccc1 7984243 VGZZFDAZEJBZED-UHFFFAOYSA-N 354.460 3.595 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)N1Cc1ccco1 12550375 MJBOQXPRAXCXOI-IBGZPJMESA-N 370.412 3.609 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19867139 QLHWMZAMVJTKST-SFHVURJKSA-N 354.450 3.639 30 40 FHEB N#Cc1ccccc1S(=O)(=O)Oc1cccc(Oc2ccccn2)c1 24991898 POHSFLYBICQPKI-UHFFFAOYSA-N 352.371 3.513 30 40 FHEB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccc(C#N)c3)n2)cc1 67898703 QGEWXDSFSOLHBP-NRFANRHFSA-N 358.445 3.830 30 40 FHEB biogenic,in-vitro C=C(C)CN(CC)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 84761263 CAAASTOYIRSDFZ-QGZVFWFLSA-N 350.871 3.693 30 40 FHEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 100261274 DEGZRMHXNUZMMB-BSBNDGSWSA-N 371.437 3.724 30 40 FHEB CCCCCCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 105342703 YSUDIUAQQBJTFR-UHFFFAOYSA-N 356.894 3.663 30 40 FHEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NCc1ccco1 408802416 ZXUVPGDUMHMOOI-UUYOSTAYSA-N 352.365 3.865 30 40 FHEB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 409235144 YRXNYGGJFVEWQV-GZTJUZNOSA-N 368.414 3.891 30 40 FHEB COc1ccc(NC(=O)c2cn3c(nc4ccccc43)c(C#N)c2C)cc1 2352732 LUNHGBOCRZRTKF-UHFFFAOYSA-N 356.385 3.929 30 40 FHEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1OC 4453141 MFWVMGJQBBARHV-IBGZPJMESA-N 367.401 3.501 30 40 FHEB CC(C)N1C(=O)/C(=N\Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 4977299 WMAUILYSKBMJPH-PGMHBOJBSA-N 357.797 3.609 30 40 FHEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 7594531 NUUARUSJYGYVQH-SECBINFHSA-N 355.872 3.876 30 40 FHEB Cc1csc([C@H](C#N)C(=O)COC(=O)CSc2ccc(C)c(C)c2)n1 9442952 JGQSSDHVKBQVLZ-OAHLLOKOSA-N 374.487 3.580 30 40 FHEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1O 10118727 YSALVRZDAZEALS-DJKKODMXSA-N 369.646 3.940 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428043 JKHALQGSISFAFQ-UHFFFAOYSA-N 368.396 3.915 30 40 FHEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCCCC1 12538883 OOMINCFODJLFCB-OAHLLOKOSA-N 356.495 3.833 30 40 FHEB CCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 12550374 URGYLMBGZJCSIT-UHFFFAOYSA-N 368.481 3.691 30 40 FHEB COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(O)c3)cc2c1C 24825349 KHDGZPCTKFHTAM-VOTSOKGWSA-N 353.399 3.993 30 40 FHEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)o1 33810062 IAZAIVNPYVXZRK-HNNXBMFYSA-N 371.462 3.736 30 40 FHEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1cccs1)N1CCCC1 35672500 UJXIBOOAJGJDQL-MRXNPFEDSA-N 365.462 3.919 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)N3CCCCc4ccccc43)CC2)nc1 40133905 UGGLWBZAXHDTPL-UHFFFAOYSA-N 360.461 3.539 30 40 FHEB N#Cc1cccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)c1 58215676 UFVMIRZMJBNMLT-UHFFFAOYSA-N 365.433 3.601 30 40 FHEB Fc1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59250511 XZQCPHRYNXSVPB-VCHYOVAHSA-N 353.191 3.768 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218403908 GUVDCUXQNOJYBU-MSOLQXFVSA-N 370.861 3.876 30 40 FHEB Cc1ccccc1Cn1c(C#N)cc(N)c1N1CCN(c2ccccc2)CC1 225870387 HWWHFELKTKJFGN-UHFFFAOYSA-N 371.488 3.625 30 40 FHEB COC(=O)c1cccc(/N=C\c2cc(OC)c(N3CCCC3)cc2OC)c1 409104814 INWAFQPWHRRUOE-HMAPJEAMSA-N 368.433 3.841 30 40 FHEB CSc1ccc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc1 1775969333 LXHWSXPLJYRDHR-UHFFFAOYSA-N 367.474 3.606 30 40 FHEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 1320644 MEXXXJRZXNUDMZ-HXUWFJFHSA-N 355.821 3.723 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(I)cc2)c1 2821176 GDYAMKYKYQKABR-OVCLIPMQSA-N 368.130 3.656 30 40 FHEB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 6327970 YUELESYCAYSMJI-UHFFFAOYSA-N 351.387 3.597 30 40 FHEB N#CC1(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)CCCC1 6351655 DXJAPLNAEOSAEY-UHFFFAOYSA-N 364.401 3.588 30 40 FHEB CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)CC#N)cc2)cc1 6602915 AHYXKJZACBUENW-UHFFFAOYSA-N 353.447 3.533 30 40 FHEB C#CCn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196034 GMJHLDBUIHSPDU-BUVRLJJBSA-N 361.445 3.724 30 40 FHEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1C1CCCCC1 38140297 OESQYICVSXQDKK-UHFFFAOYSA-N 360.483 3.513 30 40 FHEB N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2 41509876 IWLJXHSWIMPCMV-KRWDZBQOSA-N 361.449 3.685 30 40 FHEB N#CC1(C(=O)OCC(=O)NCC2(c3ccccc3)CCCC2)CCCCC1 64203532 XYLRTUZGBLQFFO-UHFFFAOYSA-N 368.477 3.632 30 40 FHEB Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 95953367 BESUEBYJAKQTNB-SNVBAGLBSA-N 364.521 3.972 30 40 FHEB C#CCOc1ccc(CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 95997196 AMJWEFPZFKGXSP-FQEVSTJZSA-N 351.446 3.871 30 40 FHEB CN(C)c1ccc(C(Br)=NNc2ccc([N+](=O)[O-])cc2)cc1 245239835 MNLSYABWFCWILX-UHFFFAOYSA-N 363.215 3.829 30 40 FHEB C=CC(=O)Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 1539913877 MKDJTRMDNMASSQ-UHFFFAOYSA-N 372.346 3.611 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1 2660198 FFWVFHXWUDQMTH-RCCKNPSSSA-N 371.506 3.606 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(O)c(Br)c2)nc1 35189310 FDZHBKNZSUZGMJ-BNCCVWRVSA-N 371.578 3.557 30 40 FHEB COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1OC 103504613 FSJCCECDLLSSIZ-QGZVFWFLSA-N 374.396 3.818 30 40 FHEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 408966912 OYCNGSQCGBQWNZ-XKZIYDEJSA-N 367.474 3.801 30 40 FHEB N/C(=N/OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)c(F)c1 65205286 QZZHPNAVSVTIKP-UHFFFAOYSA-N 368.767 3.617 30 40 FHEB O=C(CO/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 7007245 MJQBOAQKNOBCBG-FBCYGCLPSA-N 367.188 3.711 30 40 FHEB CCCCN1C(C(=O)c2ccccc2)=C(OC)c2ccccc2S1(=O)=O 9450274 YTKSOQKIOWYLRE-UHFFFAOYSA-N 371.458 3.689 30 40 FHEB C=CCn1c(SCCc2ccccn2)nnc1-c1cccc([N+](=O)[O-])c1 8710960 WOAWRUIDYKHYTB-UHFFFAOYSA-N 367.434 3.769 30 40 FHEB C=CCn1c(SCc2ccc(OC)cc2)nnc(-c2ccccc2)c1=O 28537677 TWGRMPAKFQBMSA-UHFFFAOYSA-N 365.458 3.792 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)Nc1sc(C)c(C)c1C#N 40129059 WEKJDUSGYQVERA-UHFFFAOYSA-N 369.446 3.915 30 40 FHEB CC(C)N(C[C@@H]1CCCN(c2ncccc2C#N)C1)C(=O)OC(C)(C)C 48271538 IGGIUZLBQHEBCX-MRXNPFEDSA-N 358.486 3.815 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccccc1 5888515 XKZCGFUZTXRXIQ-MRXNPFEDSA-N 362.410 3.926 30 40 FHEB CCNC(=S)N/N=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 33286714 JYUIOHKTKYWVON-YVNNLAQVSA-N 368.428 3.931 30 40 FHEB N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)Cc1ccc(Cl)cc1 3047567 UJLFEDUWKRMWII-UHFFFAOYSA-N 360.744 3.599 30 40 FHEB N#CC1(NC(=O)COc2ccc(Br)cc2Cl)CCCCC1 4846921 NKBTUDGGUIIDAT-UHFFFAOYSA-N 371.662 3.824 30 40 FHEB N#CC1(NC(=O)COC(=O)c2cc3cc(F)ccc3s2)CCCCC1 6879151 YTQGEBMEFJSTOO-UHFFFAOYSA-N 360.410 3.540 30 40 FHEB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6882212 FXERTECWEPGMKG-XJKSGUPXSA-N 367.836 3.760 30 40 FHEB CC(=O)Oc1cccc(/C=C\C(=O)/C=C/c2cccc(OC(C)=O)c2)c1 8616978 OJPWFWOOPYXQFI-DSOJMZEYSA-N 350.370 3.833 30 40 FHEB C#CCn1cc(/C=C2\N=C(O)N(Cc3ccccc3F)C2=O)c2ccccc21 9011793 AQGDRDJVBOFVAW-UNOMPAQXSA-N 373.387 3.711 30 40 FHEB Cc1cccc(-n2c(C)nnc2SCCOc2ccc(C#N)cc2)c1 11023863 LRXVGVXPWAXDAG-UHFFFAOYSA-N 350.447 3.927 30 40 FHEB C=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2c(s1)CCCC2 12531001 YLIHGUOYQPKLIP-UHFFFAOYSA-N 352.463 3.811 30 40 FHEB N#Cc1ccccc1CSCCNC(=O)c1cnc(Cl)c(Cl)c1 14141825 VMDXWVWTVVTMMJ-UHFFFAOYSA-N 366.273 3.923 30 40 FHEB CSc1nc(C2CC2)cc(C(=O)NCCOc2ccc(C)cc2)c1C#N 14229812 REHNOTGFWNQHAG-UHFFFAOYSA-N 367.474 3.670 30 40 FHEB O=C(Oc1ccc(/C=N/N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 15354200 JLAZDERGJZBGIC-XSFVSMFZSA-N 353.378 3.634 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 31772602 OUJYHZGPWBNEPG-LSCVHKIXSA-N 354.244 3.968 30 40 FHEB COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@@H]1CC=C(C)CC1)N(C)CC3)OCO2 33918778 LURJWDVAWXQBDF-ITGFUDAMSA-N 372.465 3.920 30 40 FHEB biogenic N#Cc1ccc(NCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 58357589 GBBUEILQRAYFOH-QGZVFWFLSA-N 362.458 3.944 30 40 FHEB COCc1cc(C)nc(N/N=C/c2ccc(OCC(C)C)cc2)c1C#N 59640758 UIXWYYDIZPMZNM-SSDVNMTOSA-N 352.438 3.889 30 40 FHEB CCN(C[C@H](C)C#N)C(=O)CCSc1ccc(Br)cc1 84765665 ZLJWNOJMSIOCOE-GFCCVEGCSA-N 355.301 3.939 30 40 FHEB Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 97951011 QVAFHIRFMUPUFK-UHFFFAOYSA-N 354.172 3.797 30 40 FHEB O=C(O)c1ccccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1 113856064 LIGYRXAZAYRLMG-ODLFYWEKSA-N 351.318 3.999 30 40 FHEB N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C(=O)O)C3)c2)cc1 263483384 LQVNUMUYBYNOGX-HNNXBMFYSA-N 365.389 3.679 30 40 FHEB CN(C)N1C(=O)C[C@@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O 1430121 OPOMNMKPKBTHEG-IRXDYDNUSA-N 366.486 3.941 30 40 FHEB CCC1([C@](O)(C#CCN(CCO)C(C)(C)C)c2ccccc2)CCCC1 2287399 CJJYLXAXGQLGEN-QHCPKHFHSA-N 357.538 3.941 30 40 FHEB CCOC(=O)[C@H]1CCCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)C1 3293020 LYKJIJMVQMTGAH-ZDUSSCGKSA-N 359.813 3.646 30 40 FHEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)[C@H](C#N)C(=N)O2 4859694 JKNAEKWEAVBGFU-HKUYNNGSSA-N 358.401 3.587 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 5504613 ZVRMCTQEUNROMA-MRXNPFEDSA-N 358.344 3.799 30 40 FHEB C=CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OCC)=C1C 8323718 YPCYVGCILQWOAW-OAHLLOKOSA-N 368.355 3.795 30 40 FHEB Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)oc2ccccc12 14093259 RUQXLZKRWMBKSP-UHFFFAOYSA-N 359.429 3.571 30 40 FHEB C=CCN1CCC[C@@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1 19530055 XUCVLPVQZZMZCF-NQIIRXRSSA-N 374.456 3.540 30 40 FHEB C=CCn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC)c(C)sc21 32074522 BUUVMCQHGMNJGD-UHFFFAOYSA-N 364.474 3.753 30 40 FHEB N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 55530973 PAUDFNPZISJPFQ-QGZVFWFLSA-N 360.373 3.534 30 40 FHEB O=C(/C=C/c1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 95116819 YIKTWTQYHZBVAK-OUKQBFOZSA-N 353.399 3.977 30 40 FHEB C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 95995145 LDGFGKDMEWVHOP-NQIIRXRSSA-N 364.489 3.892 30 40 FHEB Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(C(C)C)c2ccccc21 102977798 PROJUTDLDQEOHM-PYCFMQQDSA-N 366.490 3.749 30 40 FHEB CC(C)(/C(=N/c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 104122514 YJGDHKIJUOQMCF-VZCXRCSSSA-N 353.422 3.935 30 40 FHEB CC1(C)CN(/C(O)=N/CCc2csc3ccccc23)C[C@@]2(CCOC2)O1 329983950 BRFGCRFIVUWNFK-HXUWFJFHSA-N 374.506 3.628 30 40 FHEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 408914911 ZRSKZTGZXJXOGZ-WQRHYEAKSA-N 374.194 3.815 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)[nH]1 7472508 XPXZKTNLBHCVEY-UHFFFAOYSA-N 369.837 3.728 30 40 FHEB C=CCN(Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1cccs1 12561382 IKZLHTMDZJYWTM-UHFFFAOYSA-N 366.494 3.756 30 40 FHEB C[C@H]1C[C@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 45034490 INRWUECPWDQWBI-IFXJQAMLSA-N 350.418 3.845 30 40 FHEB C=CCC1=C[C@](OC)([C@@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O 13480171 SMOHLDSEWHACKE-QKKBWIMNSA-N 356.418 3.595 30 40 FHEB biogenic,in-vitro COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)O 409220563 BNZOPUGZWOFGBI-JZOCJUILSA-N 363.797 3.960 30 40 FHEB Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccccc3)o2)cc1 4538876 FVCNGBVBAIDRFD-UHFFFAOYSA-N 364.426 3.998 30 40 FHEB C=CCOc1ccc(C(=O)NCc2cc(Cl)cc3c2OCC3)cc1OC 96013931 GKJBHUJNTIQZBD-UHFFFAOYSA-N 373.836 3.778 30 40 FHEB N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCCC2 6780660 JCYGEVJILCSRDA-UHFFFAOYSA-N 351.522 3.663 30 40 FHEB N#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 95990246 XKWWMHLKFJUUOF-UHFFFAOYSA-N 366.364 3.867 30 40 FHEB C=CCc1cc(C(=O)N[C@H](C)CCc2cccn2C)cc(OC)c1OC 76041126 BGQVKVHQUABLIN-OAHLLOKOSA-N 356.466 3.522 30 40 FHEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Nc3c(F)cccc3F)C2)c1 1775971480 PJSKQACCYNCFOH-CQSZACIVSA-N 372.375 3.554 30 40 FHEB Cc1c(/C=N/c2cccc(N(C)C)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 100312037 WEPFQBNFQCCONA-ZMOGYAJESA-N 369.428 3.778 30 40 FHEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c(OC)c1 1473722 JJXCTFJKEBPRLJ-GRSHGNNSSA-N 374.853 3.787 30 40 FHEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccc(O)cc1 4786007 ZOZJZCZSQAPROD-OJSPLJLUSA-N 372.515 3.960 30 40 FHEB Brc1ccc(/N=N/C(=N/Nc2nnn[nH]2)c2ccccc2)cc1 5445332 NYVZYAUIBPIKPV-BSEKWEKLSA-N 371.202 3.520 30 40 FHEB Cc1cccc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2OC(C)C)c1 5451861 AQDOQLMCNQXURN-INIZCTEOSA-N 360.417 3.971 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1 7642844 IQULFERPGIMDGX-UHFFFAOYSA-N 367.386 3.612 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)c(C)c1 16284703 GYVGVYOTLIRMBI-MFOYZWKCSA-N 352.415 3.924 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(Br)c[nH]1 24507517 OONVAVNVLARDRU-UHFFFAOYSA-N 371.156 3.578 30 40 FHEB CCCCSc1nnc(C(F)F)n1/N=C/c1ccccc1[N+](=O)[O-] 36611936 YCRBVJMWOPEBGY-RQZCQDPDSA-N 355.370 3.898 30 40 FHEB COc1ccccc1-c1nn(CN(CC#N)Cc2ccccc2)c(=S)o1 40155489 DKBNBIPAQYXHMG-UHFFFAOYSA-N 366.446 3.864 30 40 FHEB COC(=O)c1ccc(C(=O)OC)c(N/C=C/C(=O)c2ccc(C)c(C)c2)c1 44844018 XBZOZOSBMFAKHN-MDZDMXLPSA-N 367.401 3.685 30 40 FHEB C[C@@H]1CCCN(CN2C(=O)/C(=N\c3ccc(F)cc3)c3ccccc32)C1 100152913 LJEFJDPCXLJUDA-LYLVPTPKSA-N 351.425 3.983 30 40 FHEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)CC[C@@H](C(=O)OC)C1=O 100740751 NNENEEZZPNGAFR-CRAIPNDOSA-N 352.471 3.814 30 40 FHEB biogenic COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225798973 QYZMBPAFOBUMDM-UHFFFAOYSA-N 360.454 3.899 30 40 FHEB COc1ccc2ccc(OC)c(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2c1 408914568 YLRJHXDYEBKTOR-JAIQZWGSSA-N 352.350 3.606 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCC2 827372 NRZMPLKOTGSPFE-UHFFFAOYSA-N 359.451 3.764 30 40 FHEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2318638 CABGQAYWMOKQEX-OAHLLOKOSA-N 354.454 3.528 30 40 FHEB C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCCC3)Cc2ccccc2C(=O)O1 4384777 VJPZHXGXEVTXKQ-FQEVSTJZSA-N 366.442 3.609 30 40 FHEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2ccccn2)cc1 5693218 NEGCZNPVDJPFAJ-OEAKJJBVSA-N 361.401 3.893 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 6602495 OLOVQAJLCSUUBK-UHFFFAOYSA-N 355.202 3.722 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9484068 RSYNULOPSOHJAQ-HIPMGEKLSA-N 356.349 3.772 30 40 FHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 12032523 JXBDNXHDBZRPLY-ATVHPVEESA-N 354.431 3.986 30 40 FHEB Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1C 12463106 CITPYDZJKKFHTQ-XGIGFIBQSA-N 367.474 3.894 30 40 FHEB CO/N=C(\C)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17696622 FSFRKYCHGLTTOV-HYARGMPZSA-N 350.422 3.598 30 40 FHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(O)c1 20633167 OQJBLSQXHPERSW-IBGZPJMESA-N 361.401 3.760 30 40 FHEB CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C1(C#N)CCC1 58414447 FFSLLMQDXGZJMK-FQEVSTJZSA-N 358.445 3.899 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC12CC3CC(CC(C3)C1)C2 60943836 SLOZMAPGHXRYDK-UHFFFAOYSA-N 368.477 3.556 30 40 FHEB C=C(C)COc1cccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 219788883 FJFRDRMIIHSXHU-UHFFFAOYSA-N 371.433 3.597 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 409070244 YJSSHQIZKKNFSC-GXDHUFHOSA-N 365.838 3.807 30 40 FHEB N#Cc1cccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 3330268 NBEODIUPLWKZBK-UHFFFAOYSA-N 370.408 3.872 30 40 FHEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cs1 5040208 VJQYIJHWFFPXCE-LBPRGKRZSA-N 356.447 3.658 30 40 FHEB COc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6182580 CYLNEOZUIBMWRA-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB C=CCn1c(SCC(=O)Nc2cc(C)no2)nnc1C1CCCCC1 8987394 QHRIZRPSTNVIHK-UHFFFAOYSA-N 361.471 3.539 30 40 FHEB N#Cc1c(CCCNc2nc(-c3ccccc3)c3ccccc3n2)n[nH]c1N 12550432 MDQJZFCNRMWYAN-UHFFFAOYSA-N 369.432 3.518 30 40 FHEB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccccc1C#N 14076272 JBYNRUSPPYHGAM-ZDUSSCGKSA-N 369.494 3.918 30 40 FHEB C[C@@H]1C[C@@H](C)CN(/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 100902812 YTMXFXCIRZRDAL-BUWYAKEBSA-N 374.481 3.939 30 40 FHEB N#Cc1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@H](N)C2)c(Cl)c1 214191941 RLKRLNQEXBPQGQ-LRQRDZAKSA-N 367.880 3.680 30 40 FHEB C#CC[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)c2c(c1)OCCCO2 521394792 FIGCWPBHFYSMMX-NSHDSACASA-N 361.747 3.575 30 40 FHEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)cc1OC 795945 PSTLQTGJJCIOOU-FQEVSTJZSA-N 355.434 3.651 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 664343 ZYXRHOGCXSESSY-INIZCTEOSA-N 373.424 3.705 30 40 FHEB CC/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 4499011 KVNFJJAEIWGXIY-BMRADRMJSA-N 367.268 3.542 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 100765822 VWHFHYGWOAPWOB-SFTDATJTSA-N 365.448 3.852 30 40 FHEB O=C(/C=C/c1ccc(Br)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 12772401 VJBQXFMWNAVAIB-ZZXKWVIFSA-N 361.170 3.654 30 40 FHEB CCN1C(=O)c2cccc3c(NC(=O)COc4ccc(C#N)cc4)ccc1c23 2631715 PLDVWSJKIOLQOB-UHFFFAOYSA-N 371.396 3.709 30 40 FHEB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 14138813 LXCWTVDMXFLBJA-GFCCVEGCSA-N 374.441 3.699 30 40 FHEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C)nn32)cc1 4520761 KUKLKNUDPZMSNB-GOSISDBHSA-N 352.438 3.643 30 40 FHEB Fc1ccccc1CO/N=C/c1cc2c(cc1Br)OCO2 5771219 DFZYGMGGCAMGER-CNHKJKLMSA-N 352.159 3.868 30 40 FHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5897197 OQWJPAYXKRJILU-PKSBALPTSA-N 358.777 3.897 30 40 FHEB CS[C@H]1CCC[C@H]1N(C)CC(=O)N(CCC#N)c1cccc(C)c1C 76089923 BJXBKVWZUYQBLC-MOPGFXCFSA-N 359.539 3.766 30 40 FHEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224801983 RLZVTUHRAYWJTE-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB C=CCCc1ccccc1NC(=O)N1CCC(CC)(N2CCOCC2)CC1 585123587 HGUBKPXYWCRKNI-UHFFFAOYSA-N 371.525 3.914 30 40 FHEB COc1cc(/C=N/c2ccccc2)cc(I)c1O 1229626 SANIGQNWAJYNCY-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB COCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccccc1 4526072 WPUHOCMHUOPLIV-HOOMGSECSA-N 368.458 3.946 30 40 FHEB Cc1c(Cl)cnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1C#N 612092345 VIIISAWRQOJDPH-UHFFFAOYSA-N 369.778 3.972 30 40 FHEB COc1ccc(CCNc2nc(C)c3c(c2C#N)CCCC3)cc1OC 20591486 PGTCVNOELCFTPQ-UHFFFAOYSA-N 351.450 3.812 30 40 FHEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 980723 JYUIOHKTKYWVON-LSHDLFTRSA-N 368.428 3.931 30 40 FHEB COc1ccc(/C=N/Nc2ccccc2C)cc1Cn1cc([N+](=O)[O-])cn1 4785955 WQMVVNRWKMPWSC-KEBDBYFISA-N 365.393 3.603 30 40 FHEB Cc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1 6650626 UFYVLZCNDRLMML-UHFFFAOYSA-N 373.507 3.635 30 40 FHEB C[C@H](Sc1ccc(Cl)cc1)C(=O)O/N=C(\N)c1ccc(F)cc1 8986414 AZFVUDNJYOJGNN-JTQLQIEISA-N 352.818 3.823 30 40 FHEB COc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12420243 AQKXDJSJXVSDSR-JYRVWZFOSA-N 358.737 3.601 30 40 FHEB C=CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501376 FEBUENACWZYFEA-UHFFFAOYSA-N 369.371 3.645 30 40 FHEB CCCN(CC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 59934176 WVFBRNHUFXTRHD-UHFFFAOYSA-N 352.394 3.784 30 40 FHEB CCOC(=O)[C@H](S)Cc1ccc(OCCc2ccc(CC)cn2)cc1 65748835 ATYWGCSTAHNAKQ-LJQANCHMSA-N 359.491 3.670 30 40 FHEB in-vitro CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cc(C)c(C)c(Br)c1O2 100489921 DCQRHQZTOUWICL-INIZCTEOSA-N 366.211 3.859 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484597 KOINWRRPMOSCPM-FQEVSTJZSA-N 368.452 3.854 30 40 FHEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951782 NUGGTGQONSXZDT-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2ccc(F)cc2)c1N 225842867 HQNWALWICNOKEN-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1 408879129 FPLXYNOYQNDKBX-CIAFOILYSA-N 362.345 3.655 30 40 FHEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccc(F)cc2)n1 8558918 CAFJDMDZGJULPZ-JEOXALJRSA-N 352.413 3.552 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1ccccc1[N+](=O)[O-] 8665871 OLFBCAHNOFQEPC-HMAPJEAMSA-N 370.368 3.854 30 40 FHEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)O 9235588 QFUUKQLEPLGKDE-YVLHZVERSA-N 356.399 3.878 30 40 FHEB CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 6358030 NRBHCSIBRSJHSG-CXDOIHPCSA-N 357.435 3.532 30 40 FHEB CN1/C(=C/C(=O)c2cccc([N+](=O)[O-])c2)Sc2cc3c(cc21)OCO3 4567604 YWJXZRCNJCILLU-IDUWFGFVSA-N 356.359 3.590 30 40 FHEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9530701 DDBNTHVHLYATSW-NVMNQCDNSA-N 356.349 3.772 30 40 FHEB N#Cc1ccc(N2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)nc1 71889484 UOBBBXCVKVZZTK-KRWDZBQOSA-N 357.417 3.777 30 40 FHEB COc1ccc(CN/N=C/c2cc([N+](=O)[O-])ccc2OC(C)C)cc1OC 20196703 WMWLKJBYLVREDY-CIAFOILYSA-N 373.409 3.523 30 40 FHEB Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2cccc(Cl)c2)n1 608927224 SNDNHPLNOSAXHZ-UHFFFAOYSA-N 372.837 3.507 30 40 FHEB CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)ccc1O 5214579 UXIGUGQDDIWPBA-BOPFTXTBSA-N 370.430 3.691 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)c1 100823070 ALDNWLFTBSXGFF-SILNSSARSA-N 359.834 3.800 30 40 FHEB CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 4937863 NRBHCSIBRSJHSG-UEYPFEJESA-N 357.435 3.532 30 40 FHEB COc1ccc(OC)c(C/N=C/c2cc(Br)ccc2O)c1 44835638 IZJMJWQQAQKPSO-GIJQJNRQSA-N 350.212 3.791 30 40 FHEB N/C(=N/OCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 67768898 DUMYOEUVHFPINN-UHFFFAOYSA-N 367.430 3.816 30 40 FHEB CC1CCC(C#N)(N(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 8132398 YRHODLGCRSFPNK-UHFFFAOYSA-N 373.526 3.513 30 40 FHEB Cc1c(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2c1CCC2 17748936 NGJIDUCRMOVTBV-GOSISDBHSA-N 351.475 3.672 30 40 FHEB C/C(=N/Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 33683518 CJSKVDMYHFCXNB-IDUWFGFVSA-N 358.232 3.951 30 40 FHEB N#Cc1cnc(N2CCN(c3nc4ccccc4s3)CC2)c(Cl)c1 536085943 XVJDVOSZJQPLOX-UHFFFAOYSA-N 355.854 3.543 30 40 FHEB CC(C)c1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 103735302 MHNHZPAJBGWJIN-XTQSDGFTSA-N 363.461 3.567 30 40 FHEB COc1ccc(/C(C)=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 20190717 FKBROFBJVVZEEA-FCDQGJHFSA-N 351.494 3.854 30 40 FHEB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 100713232 JZDGPWYKQKRMMW-LJQANCHMSA-N 373.372 3.590 30 40 FHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102734353 DESJVPRUNHJPOT-LFVOPCPISA-N 374.396 3.918 30 40 FHEB COc1ccc(-c2n[nH]c(SCCOc3ccc(C#N)cc3)n2)cc1 22162920 FUEGBKLXTOJVDX-UHFFFAOYSA-N 352.419 3.523 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 9883553 GADGNIOCEVVQOQ-JTQLQIEISA-N 363.874 3.509 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 100765441 SYNMSLJCEHGLDX-SFTDATJTSA-N 365.448 3.852 30 40 FHEB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C#N)cc1 3334393 FJQRVHVQLMHFKJ-UHFFFAOYSA-N 359.223 3.602 30 40 FHEB C=CCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724218 USZLSODSBDZSBN-ZUOKHONESA-N 355.821 3.579 30 40 FHEB O/C(Cc1csc(-c2ccccc2)n1)=N\c1nc([C@@H]2CCCO2)n[nH]1 95480387 PPIUROVJZHXENE-ZDUSSCGKSA-N 355.423 3.610 30 40 FHEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc2c(c1)OCO2 408750224 YGPIYTLBLQOBIQ-VIZOYTHASA-N 358.806 3.960 30 40 FHEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccoc1)c1cccs1 36611870 VYIDZAGYXVZHGO-LLVKDONJSA-N 366.324 3.647 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 217036503 DCBBWHBYZVNZOT-UHFFFAOYSA-N 366.461 3.977 30 40 FHEB Cc1cc(C#N)nc(N2CCC[C@H]2c2ccc(Br)c(F)c2)n1 588039020 JAPKAZCUSMWVID-HNNXBMFYSA-N 361.218 3.900 30 40 FHEB CN([C@@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1ccsc1C#N 599515266 CJPBHFRERBEWLH-ZDUSSCGKSA-N 370.446 3.507 30 40 FHEB C[C@@H](OC(=O)CSc1ccccc1)C(=O)N(CCC#N)c1ccccc1 21687848 RKNJHAZEZNFOJG-MRXNPFEDSA-N 368.458 3.657 30 40 FHEB O=C(O)COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195154 BTDMKUTUNVWUBD-UFWORHAWSA-N 353.205 3.581 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 100765436 PYWSSPWHKQFDSS-SFTDATJTSA-N 365.448 3.852 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2\C[C@@]34CCCC[C@]35C[C@@H]2O[C@@H]5C4)c([N+](=O)[O-])c1 104281956 HNFGDJSRIPJISB-PZNXTRGGSA-N 372.381 3.783 30 40 FHEB COc1ccc(-c2nc(SCc3nc(C)c(C)o3)nc(O)c2C#N)cc1 58167178 KHSLOHXNWOLXHX-UHFFFAOYSA-N 368.418 3.627 30 40 FHEB C=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc(O)cc1O 12649891 CWBHTUUEOFBDPK-AMOJMVCLSA-N 351.431 3.597 30 40 FHEB N#Cc1cc(NC(=O)Cc2cccc(F)c2)ccc1OCC(F)(F)F 36393094 QCQGQPMPJSIXEH-UHFFFAOYSA-N 352.287 3.820 30 40 FHEB COc1c(S(=O)(=O)c2ccc(C#N)cc2)cnc2ccc(Cl)cc12 72332523 DLOFDILKLKIDNB-UHFFFAOYSA-N 358.806 3.601 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C)cc1 13139670 RCXLVYBBCZDNSA-OAHLLOKOSA-N 367.474 3.755 30 40 FHEB COc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OCC(C)C 14181344 VELHOIJPTKUOTE-XBXARRHUSA-N 366.417 3.796 30 40 FHEB CCCCCCCC(=O)O[C@H](CN1CCCCCC1)CN1CCCC1=O 17595986 VWPBDXJKLFVDPP-LJQANCHMSA-N 366.546 3.757 30 40 FHEB COc1ccc(C/N=C\c2ccc(O)c(I)c2)cc1 408905561 ZGSVIJZUMBKYDC-YVLHZVERSA-N 367.186 3.625 30 40 FHEB N#Cc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1 95080977 ZULYPBDKNINMRT-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB C#Cc1cccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 12118163 PFOWSMIDZRTDOU-UHFFFAOYSA-N 354.413 3.616 30 40 FHEB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/O)cc1 6212714 RXLHQEXPURAEGF-GIJQJNRQSA-N 363.211 3.583 30 40 FHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1 8300038 FSIMFKLEKGKCLR-HEHGZKQESA-N 353.388 3.723 30 40 FHEB biogenic,in-vitro C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccsc1 25013740 LAUUVZUOFJYKBB-UHFFFAOYSA-N 368.911 3.798 30 40 FHEB N#CCCN(C(=O)CSc1ncnc2sccc12)c1ccc(F)cc1 3542372 MDXYGUUDVMHZJI-UHFFFAOYSA-N 372.450 3.869 30 40 FHEB COc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N2CCCCC2)cc1 12901913 RYOPOAQQGLAIHI-NRFANRHFSA-N 363.461 3.524 30 40 FHEB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC 5788542 NOPWGPSFEWLXIQ-LJQANCHMSA-N 366.417 3.605 30 40 FHEB CN(C)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 7359594 REFAOSMAPINXAQ-UHFFFAOYSA-N 371.409 3.881 30 40 FHEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 19859112 AUKQVYVPZAMOSW-MFOYZWKCSA-N 370.836 3.708 30 40 FHEB CCc1ccc([C@H](C)CC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 524100760 RIYHICXYMMSBTK-GOSISDBHSA-N 361.489 3.963 30 40 FHEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO[C@@H](O)[C@H](C)O 263583517 GNLNRQZETOCIRZ-LTNMTGGOSA-N 373.578 3.648 30 40 FHEB C=CCNC(=O)C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1 6947490 JPDNAFYBBAAIBI-UHFFFAOYSA-N 356.495 3.813 30 40 FHEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1OC 1473711 HBJZKYAYKAKCRG-GRSHGNNSSA-N 374.853 3.787 30 40 FHEB COc1ccc(C(=O)C[n+]2cc(Br)cc3ccccc32)cc1 1668844 FLFXKMFBRSSEEP-UHFFFAOYSA-N 357.227 3.781 30 40 FHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 5130458 VAFZGOXVSNJVTP-ZDUSSCGKSA-N 373.503 3.754 30 40 FHEB COc1ccc(C(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)cc1 12879394 WQYAVJCTHZCNJQ-UHFFFAOYSA-N 364.445 3.541 30 40 FHEB CC(=O)C(/C=N/c1ccc(N(C)C)cc1)=C1/C(=O)N(c2ccccc2)N=C1C 16694193 XRSDJMAYEMOMFZ-QHUQCCDUSA-N 374.444 3.763 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 23220073 BKZHKCXQEHTTQR-SUMWQHHRSA-N 355.404 3.580 30 40 FHEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28189002 MUWDESUWLTYEGV-UHFFFAOYSA-N 355.419 3.635 30 40 FHEB O=C(Nc1cc(Cl)nnc1N/N=C\c1ccccc1)c1ccccc1 36046629 ICRBNVAYRMAOOU-NDENLUEZSA-N 351.797 3.828 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)Oc1cc(C)ccc1[N+](=O)[O-] 40130994 AQMCPKZJZGRGSZ-UHFFFAOYSA-N 370.361 3.548 30 40 FHEB Cc1nnc(/N=C2/S/C(=C\c3ccc4ccccc4n3)C(=O)N2C)s1 59767224 CZAKTMSQDRXJKN-YQVRAYJVSA-N 367.459 3.629 30 40 FHEB N#Cc1c(Cl)c(I)c(Cl)c(C#N)c1Cl 65743074 SCOIXRLRFIABOF-UHFFFAOYSA-N 357.365 3.995 30 40 FHEB in-vitro O=[N+]([O-])c1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1O 104757077 OREHRRLVSUQGIH-CNHKJKLMSA-N 370.243 3.673 30 40 FHEB COc1ccc(Cn2nc(OCc3ccc(Cl)cc3)c(C#N)c2N)cc1 225848122 HNIANPWOKJHWIR-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]12C 253530020 UFEOMHFPJREVTP-OVNVTHAWSA-N 366.457 3.883 30 40 FHEB Cc1nsc(N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1C#N 553103600 RBDUGFVBWVUBTM-NSHDSACASA-N 368.384 3.913 30 40 FHEB O=C(Nc1nc(/N=C(\O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1 2234213 QUXWYCJKIJREBQ-UHFFFAOYSA-N 373.372 3.749 30 40 FHEB C=CCNC(=S)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 7966341 GMWKESVUERYWJA-UFFVCSGVSA-N 353.369 3.949 30 40 FHEB Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccccc2C#N)c1C 8021663 RUGOGCVEBZJTSQ-UHFFFAOYSA-N 351.797 3.662 30 40 FHEB Cc1ccc(/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1Br 12462177 JCSOCJZRBVTDAW-UHFFFAOYSA-N 360.167 3.739 30 40 FHEB C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21)c1ccccc1 12659710 JQPOKDQOUBIXDQ-SAIJPIEJSA-N 369.505 3.864 30 40 FHEB biogenic S=C(N/N=C1\C=Cc2ccccc2C1)N/N=C1/C=Cc2ccccc2C1 16954532 NVRNVDLEMWZIJG-XOODDYIFSA-N 358.470 3.702 30 40 FHEB C=CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC 20196487 HCTPERIEOJAFTP-HZHRSRAPSA-N 370.449 3.791 30 40 FHEB C=C(C[C@@H](CN1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 20791608 RDQKZBUUAHHHIL-NRFANRHFSA-N 363.457 3.647 30 40 FHEB COc1cc(Br)cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c1O 26465282 UHRKCMLQDAXPPH-FRKPEAEDSA-N 367.155 3.528 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 35656887 CFXLDPFMEPHVGK-IXMFVRRYSA-N 368.414 3.627 30 40 FHEB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCC2 70691771 HLNIWPZRSHCGQQ-UHFFFAOYSA-N 370.434 3.725 30 40 FHEB COc1ccccc1OCC#CCNC(=O)C1(c2cccs2)CCCC1 90610401 RHUHXQFBWIBZDU-UHFFFAOYSA-N 369.486 3.767 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(OC)cc1 408560200 DLDRWNOUNQLNPV-UHFFFAOYSA-N 360.483 3.546 30 40 FHEB N#CC1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CCC1 78818934 YVFUJOTYCVTILA-UHFFFAOYSA-N 355.341 3.870 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 12621818 WZDKHISQLUOALE-SJCJKPOMSA-N 356.422 3.818 30 40 FHEB CCN(CC)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3450625 QNTPTECRMLXQFU-UHFFFAOYSA-N 368.458 3.735 30 40 FHEB N#Cc1ccsc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 15183235 BSFFQTXARSIMPF-UHFFFAOYSA-N 372.421 3.753 30 40 FHEB Cc1ccc2c(c1)CCCN2CC(=O)Nc1sc2c(c1C#N)CCC2 7494424 PNYVNJIBAQFKQH-UHFFFAOYSA-N 351.475 3.808 30 40 FHEB CCOc1cc2c(cc1/C=C1\S/C(=N\C3CCCC3)NC1=O)O[C@@H](C)C2 43080444 YKEKVGXSSQILMQ-SJWFJVLYSA-N 372.490 3.911 30 40 FHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc12 4305186 LBXIBQQYUBUMMK-RZTYQLBFSA-N 366.461 3.744 30 40 FHEB COc1cccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O 4696376 YEJGKUDVZIHDQM-YBEGLDIGSA-N 354.431 3.909 30 40 FHEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCC)s2)n1 6748096 SDNCBLJUKFIGOY-UHFFFAOYSA-N 373.916 3.624 30 40 FHEB Cc1ccc2nc(NCCNC(=O)Nc3ccccc3F)c(C#N)cc2c1 35290248 CZGPJFQEFSWBJK-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB CN(Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 35361966 QLVBIAQQOPHQOC-WFTGQSOZSA-N 369.505 3.645 30 40 FHEB biogenic C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)s1 39989299 PLBRZYSJNVUZPV-LBPRGKRZSA-N 353.444 3.751 30 40 FHEB COc1ccc(-c2nc(N(C)Cc3cccc(F)c3)nc(O)c2C#N)cc1 40122661 LVFMMAFDIMVSPR-UHFFFAOYSA-N 364.380 3.505 30 40 FHEB N#CC1CCN(C(=O)NCc2cccc(COCc3ccccc3)c2)CC1 58249086 IWGSBKVDUGUESV-UHFFFAOYSA-N 363.461 3.849 30 40 FHEB COc1ccc(C(=O)c2c(/C=C/N(C)C)oc3cc(C#N)c(C#N)cc23)cc1 66088717 SLNKRQWZOPBABY-CMDGGOBGSA-N 371.396 3.948 30 40 FHEB COc1cc(/C=N\O)cc(Br)c1OCc1ccccc1F 100250204 NDIVNUFRSHECLK-LSCVHKIXSA-N 354.175 3.984 30 40 FHEB Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(Br)cc1 256053280 QVQDLBGVMAVPRL-UHFFFAOYSA-N 366.236 3.705 30 40 FHEB O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1cc(Cl)ccc1O 726816 APJCLRLPDWEXES-SRZZPIQSSA-N 365.776 3.898 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2C)ccc1OC 107897427 RDMKLWGIDHGPMN-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB CCN(CC)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 100307123 PZHWTJPTJXPFBN-HTXNQAPBSA-N 350.871 3.817 30 40 FHEB C=CCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 1249757 CEUQVGNMZWHRAX-BOPFTXTBSA-N 367.380 3.721 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608768 JETYKKUCMMUNER-BFUOFWGJSA-N 364.380 3.734 30 40 FHEB Cc1cc(N(CCC#N)C(=O)CSc2nncs2)ccc1Cl 11577931 AWNSBCVCDJGARP-UHFFFAOYSA-N 352.872 3.539 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 4482894 VTBKKVCDMNDVGX-MFOYZWKCSA-N 358.777 3.898 30 40 FHEB N#Cc1nccnc1NCc1ccc(-n2cnc3ccccc32)cc1Cl 95452442 NBFXLJWQAAUNJR-UHFFFAOYSA-N 360.808 3.953 30 40 FHEB COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(Cl)c1O 24037888 TZMXWQRTSNDREE-GIJQJNRQSA-N 360.826 3.857 30 40 FHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218373210 AIUKZDUSEVHBEA-PCCBWWKXSA-N 369.486 3.790 30 40 FHEB CCc1ncncc1/C(O)=N/S(=O)(=O)c1ccc(C2CCCCC2)cc1 48613543 AXOMBFLYLLDUFW-UHFFFAOYSA-N 373.478 3.780 30 40 FHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1OC 1469654 DYPICLQJQHHBII-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB CCOC(=O)c1sc(NC(=O)COc2c(C)cccc2C)c(C#N)c1C 4341432 IIQBEIAOINBWNL-UHFFFAOYSA-N 372.446 3.739 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2 4737003 KWJRFJBYVQUZCR-CYBMUJFWSA-N 370.281 3.597 30 40 FHEB CCOc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O 4901496 CZAODXVZROQZHV-IBGZPJMESA-N 367.401 3.588 30 40 FHEB N#Cc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 7088891 PLCSQPXQNFJWOC-MRXNPFEDSA-N 351.387 3.746 30 40 FHEB COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Cl)c1O 13549743 KYHLHALXRRGNDS-ZROIWOOFSA-N 360.822 3.946 30 40 FHEB CCCCCCCc1nnc(SCC(=O)Nc2nccs2)n1CC 408560848 PPPCNPZQYKKVQB-UHFFFAOYSA-N 367.544 3.998 30 40 FHEB COc1ccccc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O 409145929 RJMGEJSRYCCDOE-GDNBJRDFSA-N 372.833 3.749 30 40 FHEB Cc1cc(N2CCC(C3(NC(=O)[C@@H](C)CC(C)C)CC3)CC2)c(C#N)cn1 1775992207 PZACKYJKMMMYMG-INIZCTEOSA-N 368.525 3.809 30 40 FHEB COc1cc(/C=N/Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 36148259 ODHDJYCIVRSPLF-LZYBPNLTSA-N 366.171 3.518 30 40 FHEB C/C(=N/N1CCCCC1)c1ccc(OCC(=O)Nc2ccccc2)cc1 58816231 VPFDWDZPTPHTFN-QJOMJCCJSA-N 351.450 3.914 30 40 FHEB Sc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611074 DXKSDTVMMHYGMS-NGYBGAFCSA-N 369.233 3.928 30 40 FHEB N#Cc1ccc(OCc2cccc(F)c2)c(I)c1 216812334 AJUUCHWYIVPWRT-UHFFFAOYSA-N 353.134 3.881 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 35289035 GFXMTKGGMNVBTJ-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB CCOC(=O)c1ccc2nc(NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 44835312 YNXUAJJHHAGGTE-UHFFFAOYSA-N 372.446 3.727 30 40 FHEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(CCC)cc1)C2 96229929 ZIDKOPMYXAOKQE-QFIPXVFZSA-N 354.494 3.812 30 40 FHEB Cc1[nH]nc(O)c1[C@@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N 5210445 MAQRSTLJWKUHEH-FQEVSTJZSA-N 358.401 3.798 30 40 FHEB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 5511761 CKSLFHGCOACMFD-UHFFFAOYSA-N 362.414 3.892 30 40 FHEB CN(C)c1ccc(/C(Br)=N\Nc2ccc([N+](=O)[O-])cc2)cc1 13410500 MNLSYABWFCWILX-OBGWFSINSA-N 363.215 3.829 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccs1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959996 UTHOHMZTNPNWBA-PIGZYNQJSA-N 352.419 3.657 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 5376836 VBRDRSRWONVVJV-WJDWOHSUSA-N 368.414 3.675 30 40 FHEB Oc1ccc(/C=N/Nc2ccnc(SCc3ccccc3)n2)c(O)c1 4595760 XXBAPXJSTOIQPV-RGVLZGJSSA-N 352.419 3.626 30 40 FHEB Cc1ccc(-c2nc3n(n2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N3)cc1 4279832 TYYVCLIVZFGYIL-FQEVSTJZSA-N 372.428 3.981 30 40 FHEB N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1 90607644 WBUYCXKTMRLMRN-UHFFFAOYSA-N 356.813 3.682 30 40 FHEB COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1cccc(C)c1C 3240859 DGGZDHZMAZRRFN-RGVLZGJSSA-N 373.478 3.650 30 40 FHEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4545759 NQIGULMINLBOAR-JEVPPGJFSA-N 374.440 3.770 30 40 FHEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1ccncc1 5742808 YXTBSPUHWQNOJW-UHFFFAOYSA-N 366.446 3.605 30 40 FHEB N#Cc1cccc(COC(=O)c2ccc(OCc3cscn3)cc2)c1 11500981 LYJUUKQISHQHFM-UHFFFAOYSA-N 350.399 3.951 30 40 FHEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3[nH]ncc3c2)c1 18130377 DSZJQFGBQZFCDN-OMCISZLKSA-N 361.155 3.690 30 40 FHEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 19315074 INJIMHDRRDUDFB-IBGZPJMESA-N 355.434 3.615 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959744 ZWIICZDUCBQWEY-MEBBXXQBSA-N 362.355 3.873 30 40 FHEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 23295489 PXQLSIWVCBMQTK-LBPRGKRZSA-N 371.491 3.707 30 40 FHEB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 57352488 SLEIBKAHQKCXLA-HNNXBMFYSA-N 370.522 3.974 30 40 FHEB C=CCOc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 71834829 QJTPPQRPFSRLJG-RMKNXTFCSA-N 362.473 3.723 30 40 FHEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccccc3o1)C2 96039748 KZIDOBSEQSAOPA-CTNGQTDRSA-N 355.434 3.647 30 40 FHEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766406 NMNNTMJFTHWOOV-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB Cc1ccc(CS(=O)(=O)c2oc(-c3ccccc3C)nc2C#N)cc1 1775976619 ODQGNVNVLRSPIA-UHFFFAOYSA-N 352.415 3.804 30 40 FHEB CCOC(=O)CSc1nc2c(cc1C#N)C[C@@H](c1ccccc1)CC2 1009925 VIPVLYQQAYNTDE-HNNXBMFYSA-N 352.459 3.881 30 40 FHEB C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 4344351 LFGUOKSONBHVJF-PXCXGESLSA-N 370.365 3.745 30 40 FHEB COc1ccc2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2c1 5642494 BSJDHMVWPCGUPJ-UHFFFAOYSA-N 352.415 3.977 30 40 FHEB O=[N+]([O-])c1cccc(COc2ccc(/C=N/O)cc2Br)c1 6882780 SICSLBFLWUPQBP-LZYBPNLTSA-N 351.156 3.744 30 40 FHEB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 14159412 ASZXKSBXVZKVAS-LJQANCHMSA-N 350.418 3.699 30 40 FHEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)c1 17084647 GYZBBPFVEGIGHJ-HNNXBMFYSA-N 373.865 3.896 30 40 FHEB Oc1ccc(Cl)cc1/C=N/NC(=S)Nc1cccc2cccnc12 17419817 MNJZHGWJTKDZKT-KEBDBYFISA-N 356.838 3.914 30 40 FHEB CCOC(=O)Nc1cccc(C(=O)OCc2cn3ccccc3c2C#N)c1 48301458 ZYMSRYKBRZGYQQ-UHFFFAOYSA-N 363.373 3.736 30 40 FHEB N#CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 66343167 RNMNTSXMTYWKCV-MRXNPFEDSA-N 352.413 3.540 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 207285548 GNKSBKVOEUEZND-PDGQHHTCSA-N 355.354 3.549 30 40 FHEB COc1ccc([C@H]2CCCN2CCC(=O)Nc2sccc2C#N)cc1 8777085 SREVLTHLNQGCKA-QGZVFWFLSA-N 355.463 3.794 30 40 FHEB C=CCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2396450 IRQKHLBSTSDNKI-UHFFFAOYSA-N 358.401 3.710 30 40 FHEB CCCCCCCCSCCOC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161918 KNFNYSLYXVWHQC-FZKCQIBNSA-N 358.500 3.502 30 40 FHEB N#C/N=C(\N)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 4409848 OLIZJBRDKFBKLZ-UHFFFAOYSA-N 367.381 3.631 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccco1 96336097 UXHZISFAOJENSZ-AWEZNQCLSA-N 370.361 3.658 30 40 FHEB Cc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20060649 HRRUXLFIWQNCPF-FYJGNVAPSA-N 351.431 3.941 30 40 FHEB C[C@@H]1CCc2c(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)csc2C1 8669699 SZBGYCMZYPXQAR-CQSZACIVSA-N 374.506 3.715 30 40 FHEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=S 408954353 SOKOAJVDEZSAAE-VBKFSLOCSA-N 356.472 3.873 30 40 FHEB C=CCOc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225561001 VGUOCLZDIDCPMP-UHFFFAOYSA-N 367.518 3.991 30 40 FHEB Cc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165034 QCWAXUZXDUVBQP-VFZGTOFNSA-N 362.355 3.873 30 40 FHEB O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1 4698397 CSBVQGIIPOUXKB-UHFFFAOYSA-N 355.437 3.824 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccs2)no1 102712351 IUOOHRJWGMVCEK-IBOXJLQUSA-N 366.398 3.671 30 40 FHEB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(C#N)c3)n2)n1 2652573 PFHDMUQWUDBGHI-UHFFFAOYSA-N 351.797 3.662 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@@]132 4027410 AWARIKSVYAKVLG-VZMCSVCESA-N 361.526 3.634 30 40 FHEB biogenic N#Cc1cn(CC(=O)NC2CCCCC2)c2ccc(Br)cc12 4676478 OCJIDGMYPVXUIB-UHFFFAOYSA-N 360.255 3.724 30 40 FHEB COC(C[C@@](C)(O)C#CC[C@@](C)(O)/C=C/C1=C(C)CCCC1(C)C)OC 4692565 IJDJVBPHFBCKAX-SBBLWSMMSA-N 364.526 3.974 30 40 FHEB Cc1cc(N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 5552543 QYEAOTBJSLVJOE-DJKKODMXSA-N 350.334 3.626 30 40 FHEB COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc(OC)c1OC 5879714 PRHSDRCFESSFSM-ODLFYWEKSA-N 370.434 3.516 30 40 FHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6295388 OINPFKHOPMRSQB-SFHVURJKSA-N 369.417 3.644 30 40 FHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)c1 27840703 YCZHBULNDITXMI-RQZCQDPDSA-N 352.415 3.924 30 40 FHEB Cc1ccc(-c2noc(CSCC(=O)Nc3ccc(C#N)cc3)n2)cc1 28908225 JNZOVORNAYYZDM-UHFFFAOYSA-N 364.430 3.789 30 40 FHEB C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078755 FJCUCBVRDCCYPX-UHFFFAOYSA-N 354.837 3.849 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C2(C#N)C#N)cc1 218342460 CBSWNRDHHHGICS-IRXDYDNUSA-N 356.834 3.622 30 40 FHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224700140 HCMNMGJOBXOYRY-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3C)c(=O)c2C#N)cc1 409195425 ISJLDJORWBDONB-QXMHVHEDSA-N 371.396 3.590 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 985767 AGBUVBDNPMTXRT-LLVKDONJSA-N 355.488 3.871 30 40 FHEB COCCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1ccccc1 5660829 DZYJEANGVRFZCG-YWKYIXQJSA-N 354.431 3.643 30 40 FHEB NC(=S)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1 6276589 AGHKWIJKZLTWQW-CAOOACKPSA-N 350.241 3.561 30 40 FHEB Cc1ccc2cc(/C=N/NS(=O)(=O)c3ccccc3)c(Cl)nc2c1 6675211 UKBDMSYDYPRZPT-YBFXNURJSA-N 359.838 3.509 30 40 FHEB Cc1cccc(-n2ccnc2SCC(=O)Nc2sccc2C#N)c1 7060992 SWUDFUPWPNAYSI-UHFFFAOYSA-N 354.460 3.845 30 40 FHEB CC1(C)Cc2c(C#N)c(NC[C@@H]3CCCO3)nc(-c3ccco3)c2CO1 12437239 PKIMSFACWMKGFN-ZDUSSCGKSA-N 353.422 3.655 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2nccn2-c2cccc(F)c2)n1 26107280 CUPYAPVVROXPSJ-CQSZACIVSA-N 372.450 3.745 30 40 FHEB O/C(Cc1csc(-c2ccccc2)n1)=N\c1nc([C@H]2CCCO2)n[nH]1 95480388 PPIUROVJZHXENE-CYBMUJFWSA-N 355.423 3.610 30 40 FHEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005035 HNHHMPJNZVHHNC-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CCOC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252517001 YRKGDMLBZLAJFA-XUVXKRRUSA-N 373.449 3.620 30 40 FHEB CCOC(=O)c1sc(NC(=O)CN(CC)c2ccccc2)c(C#N)c1C 408549076 WOMNRGJACCNHKD-UHFFFAOYSA-N 371.462 3.570 30 40 FHEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)O 799001 MVIYBVXLGGEINV-UHFFFAOYSA-N 356.300 3.955 30 40 FHEB C=CCn1c(N)c(C(=O)NCCCCCC)c2nc3ccccc3nc21 2223205 VUHUATWKQLMDEN-UHFFFAOYSA-N 351.454 3.663 30 40 FHEB CC1=C[C@H](C)[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@H](C)C1 8743545 NCQAORGGTQHOSV-IDGDOMTQSA-N 364.449 3.964 30 40 FHEB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1cccc(C#N)c1 10353232 SFSTVUJRCAHVQP-LJQANCHMSA-N 361.401 3.585 30 40 FHEB O=C(Nc1ccccc1C(=O)NCC#Cc1ccccc1)c1cccs1 12769225 RMNQKFBONRXJDV-UHFFFAOYSA-N 360.438 3.782 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 13684224 ZFCBAXPGSIQYSE-UHFFFAOYSA-N 372.852 3.890 30 40 FHEB O=C(/C=C\N[C@H](Cc1ccccc1)C(=O)O)c1cc(Cl)ccc1Cl 16478655 JRAFVTUJUHLZNV-HLRDLLSLSA-N 364.228 3.975 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2ccccc2F)C(C)(C)c2ccccc21 18163567 QSCGCAKILQSJJP-UNOMPAQXSA-N 353.393 3.863 30 40 FHEB C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 32450388 VEENUGKKCDREQC-UHFFFAOYSA-N 372.852 3.994 30 40 FHEB Cc1ccc2c(c1)S[C@H](C(=O)NCCSCc1ccccc1C#N)C2 40033575 RXPLRMAMVFJZDF-IBGZPJMESA-N 368.527 3.933 30 40 FHEB C=CCn1cnnc1SCc1csc(-c2ccc(C(=O)OC)cc2)n1 50247333 VIYWWQCDXVVXDE-UHFFFAOYSA-N 372.475 3.667 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@H](c3ccccc3O)Nc3ccccc3N2)C(=O)O1 102442720 XDOYWLNHXJEQNF-HNOLQLOCSA-N 362.385 3.645 30 40 FHEB O=S(=O)(/N=C(/c1ccc(F)cc1)N1CCCCCC1)c1ccccc1 102944500 PDWSAJQSZBTLEC-VZCXRCSSSA-N 360.454 3.837 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218373059 AIUKZDUSEVHBEA-QHAWAJNXSA-N 369.486 3.790 30 40 FHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc2ccccc2c1 408743042 YWPYCKQJBCHSOZ-MNOULKQQSA-N 373.437 3.606 30 40 FHEB CC(C)CNc1oc(COc2ccc(Br)cc2)nc1C#N 934580 VTCFVWSUQXCCBK-UHFFFAOYSA-N 350.216 3.956 30 40 FHEB C=CCOc1c(Br)cc(CNCCCOCC)cc1OC 2178107 XWHNTJNNENZMIC-UHFFFAOYSA-N 358.276 3.539 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4070011 NBOLJLRIMHMLKB-UHFFFAOYSA-N 350.359 3.842 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 5429895 NDFIDJFNGKDWPE-RDTXWAMCSA-N 350.418 3.528 30 40 FHEB N#Cc1c(NC(=O)CSc2ccc3c(c2)OCCO3)sc2c1CCC2 6602482 IWALMBATCXNOSI-UHFFFAOYSA-N 372.471 3.610 30 40 FHEB C=CCSc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 7594577 YBSIWRAJJVVEHZ-UHFFFAOYSA-N 355.872 3.796 30 40 FHEB CN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 8945534 RJHCIARNJPDXJA-UHFFFAOYSA-N 373.482 3.507 30 40 FHEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N[C@H](C)c1cccs1 13155167 HTJLKTJOXUJGRF-VXGBXAGGSA-N 352.419 3.645 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2 16975703 RHDFSFOXMIXPND-MGPUTAFESA-N 360.392 3.833 30 40 FHEB Cc1ccc(O[C@@H](C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 22476597 KJDODFCNRSVCPS-HNNXBMFYSA-N 361.363 3.949 30 40 FHEB N#Cc1ccccc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 32935759 XNPVSWTXSBZQMC-LJQANCHMSA-N 358.438 3.907 30 40 FHEB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(C#N)cc2)c1 40285437 ZFZMYXUEKMXMAD-INIZCTEOSA-N 374.400 3.885 30 40 FHEB CCOc1ccc(N(C)/C=C(\C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 98212111 ONHLQMALPJVMNF-XSFVSMFZSA-N 373.474 3.734 30 40 FHEB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]2(C)O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 118922963 FSKYYHQTBLJUML-OTHWRCMBSA-N 360.494 3.811 30 40 FHEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccc(Br)cc1)C[C@]32C 252444365 LADVYKUQNGNISX-NKGKWGDASA-N 359.267 3.994 30 40 FHEB C#CCn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 408569056 YOYIPLHBZSXKCE-YBFXNURJSA-N 363.333 3.537 30 40 FHEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc([N+](=O)[O-])c1O 408743334 ZYRXXSYNLGBHGI-DJKKODMXSA-N 357.391 3.872 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 408842118 LZGOZWHNMMVUMI-GOSISDBHSA-N 363.388 3.957 30 40 FHEB C=CCc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O 408849495 WEBBXXIWEGNDJQ-JAIQZWGSSA-N 370.361 3.546 30 40 FHEB Cc1cc(Br)ccc1/N=C\c1cn(CC(N)=O)c2ccccc12 409384857 FTGLIFUHENDZOR-NKVSQWTQSA-N 370.250 3.948 30 40 FHEB COc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 791340 SNBBSSADFVKRCZ-UHFFFAOYSA-N 371.849 3.675 30 40 FHEB Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 5009229 NMEOZQFNXYMWLO-UHFFFAOYSA-N 355.850 3.975 30 40 FHEB C=CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OCC)=C1C 8323719 YPCYVGCILQWOAW-HNNXBMFYSA-N 368.355 3.795 30 40 FHEB N#Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 15335645 VZJINEDZFDVCJT-UHFFFAOYSA-N 361.728 3.998 30 40 FHEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 58163092 ISTVTLLUZCWGNO-ZDUSSCGKSA-N 364.430 3.813 30 40 FHEB Cc1nccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1F 63254729 QKUNPTJMCOGNEP-UHFFFAOYSA-N 351.341 3.712 30 40 FHEB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)/C(O)=N/c1ncn[nH]1 95476315 XRZCXMQRBYNQPQ-LLVKDONJSA-N 355.225 3.912 30 40 FHEB C#CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)cc1OC 226357410 FGNMWBJYAIJTOQ-UHFFFAOYSA-N 368.772 3.912 30 40 FHEB COc1ccccc1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408721638 WCNHZPRQJGUDOF-DHDCSXOGSA-N 360.822 3.946 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc([N+](=O)[O-])c1O 409099369 QQCZEBAPQDVCGE-CNHKJKLMSA-N 370.243 3.673 30 40 FHEB Cc1sc(NC(=O)Cc2csc(-c3ccccn3)n2)c(C#N)c1C 26362744 JUYFQXLFTOFCRN-UHFFFAOYSA-N 354.460 3.936 30 40 FHEB Cc1ccc(C[C@H](C#N)Sc2nnnn2CCc2cccs2)cc1 48299401 KTUCRQFLGNGKBT-MRXNPFEDSA-N 355.492 3.513 30 40 FHEB Cc1ccc(CCC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 10672160 LDLFJEUQZREVNS-UHFFFAOYSA-N 368.502 3.900 30 40 FHEB CCCOc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 12810598 ZFIQRQJESSWTMX-XBXARRHUSA-N 352.390 3.550 30 40 FHEB COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 72305037 IJAXEOFHPVWMIY-QUCCMNQESA-N 356.466 3.533 30 40 FHEB C[C@H](OC(=O)C1=C(Nc2ccccc2)OCC1=O)c1ccccc1Cl 6654286 JTSLYNWADJSWQC-LBPRGKRZSA-N 357.793 3.867 30 40 FHEB CCc1nc(C#N)c(N2CCC(c3nc(-c4ccc(C)s4)no3)CC2)o1 80344583 XEMAWOQVNAAQTM-UHFFFAOYSA-N 369.450 3.913 30 40 FHEB COc1cc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)ccc1OC(F)F 96635186 YDDAWKCLZYEDRT-RIYZIHGNSA-N 370.311 3.513 30 40 FHEB Cc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 2218486 YTDGNRCPDYAMPJ-IXMFVRRYSA-N 352.415 3.927 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959749 ZWIICZDUCBQWEY-BONVTDFDSA-N 362.355 3.873 30 40 FHEB CC/C(C)=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4865464 NXWKVIFNVJYMOE-SFQUDFHCSA-N 362.411 3.593 30 40 FHEB C=CCOc1ccc(/C=N/Nc2oc(C(=C)C)nc2C#N)cc1OCC 27562324 CQSHOCLSAVNLDH-CIAFOILYSA-N 352.394 3.989 30 40 FHEB COc1ccc([C@@H]2CCCN2CCOc2ccc(C#N)cc2)cc1OC 40067030 BKDXHBMFCZBTIJ-IBGZPJMESA-N 352.434 3.791 30 40 FHEB CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F 30371231 NELNZKVEGBNZGB-OAHLLOKOSA-N 366.389 3.589 30 40 FHEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1cccnc1 1436809 LIDXYOMKQNJGAM-RDPIHGLISA-N 357.504 3.649 30 40 FHEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2313156 RDGOHEARHPQWCX-INIZCTEOSA-N 365.481 3.534 30 40 FHEB COc1ccc(-c2c(C#N)c(=O)n3c(sc4ccccc43)c2C#N)cc1 3243439 KBDKTXGLBAHVEG-UHFFFAOYSA-N 357.394 3.933 30 40 FHEB C=CCNC(=S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 4083326 AEKHVTIAXUIHEJ-FSJBWODESA-N 366.465 3.813 30 40 FHEB CC(C)CCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1 10339491 KIJJPXKWFWNSTO-XOBRGWDASA-N 366.465 3.971 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 13042785 VHZGKMQDEWZMLC-IBGZPJMESA-N 369.461 3.949 30 40 FHEB O=C(/C=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 89774698 OTFFTVKBRBBKEM-IZZDOVSWSA-N 359.422 3.506 30 40 FHEB N#C[C@H](C(=O)NC1CCCC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 102144655 VIYPKSNZEJFFLQ-HNNXBMFYSA-N 366.442 3.689 30 40 FHEB CCCCCCCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1F 102807933 VCGPFSVJXFIHSU-QGZVFWFLSA-N 351.466 3.792 30 40 FHEB C=CC[Sn](CC=C)(c1ccccc1)c1ccccc1 195788943 RUQVGSKYJHCXRE-UHFFFAOYSA-N 355.069 3.622 30 40 FHEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccc(C)cc2)cc1 225860570 LJGPXGOOSUSGBS-UHFFFAOYSA-N 358.445 3.788 30 40 FHEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2C)cc1 225860765 KTZSHNUQUFDECB-UHFFFAOYSA-N 358.445 3.788 30 40 FHEB Cc1cccc(C)c1OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccn1 9423547 OUWSRETUBWFSEG-UHFFFAOYSA-N 374.444 3.995 30 40 FHEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N(C)C)o2)cc1 27793361 DLUSJMYBHISVNW-MRXNPFEDSA-N 368.462 3.998 30 40 FHEB N#Cc1ccccc1N1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 52189469 RRURLLDERSZKBE-UHFFFAOYSA-N 373.416 3.731 30 40 FHEB C=CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)c1ccccc1 57477088 RWZVBXMFUAIOMM-UHFFFAOYSA-N 363.417 3.927 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1coc3ccc(C)cc3c1=O)C2 85878982 AFNAFCPPWZTVSU-ZSOIEALJSA-N 362.381 3.941 30 40 FHEB biogenic CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO[C@H](O)[C@@H](C)O 100068166 GNLNRQZETOCIRZ-YEIHFSJLSA-N 373.578 3.648 30 40 FHEB C[C@H](C(O)=Nc1ncn(C2CCCCC2)n1)n1ccc2ccccc2c1=O 329529825 VKBOHOHJSNKPGF-CQSZACIVSA-N 365.437 3.947 30 40 FHEB N#Cc1ccccc1CO/N=C\c1cc2c(cc1Br)OCO2 408596456 ZKZAEKVSHIVIJS-UWVJOHFNSA-N 359.179 3.600 30 40 FHEB CCOC1(OCC)C(C#N)(C#N)[C@@](C)(c2ccccc2)C1(OCC)OCC 721478 XSAGORWGNWWZEW-GOSISDBHSA-N 372.465 3.530 30 40 FHEB Cc1c(/C=N/c2ccccc2C(=O)O)c(O)n2c(nc3ccccc32)c1C#N 3026165 PUXLBZIMVGQVHX-FOKLQQMPSA-N 370.368 3.822 30 40 FHEB C[C@](C#N)(NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)C1CC1 3386512 RNJIKHZYFMHSKP-CYBMUJFWSA-N 363.792 3.654 30 40 FHEB CN1[C@](/N=C/c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O 5030512 HKVRWUHJZXVLPV-BCIXFCFJSA-N 362.454 3.641 30 40 FHEB COc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1O 5350878 KAHZXGDQZBMQFN-ZVBGSRNCSA-N 354.435 3.730 30 40 FHEB COc1ccc(/N=C/c2cc3c(cc2Br)OCO3)cc1OC 5527267 KHYBITCZNXOAKP-QGMBQPNBSA-N 364.195 3.946 30 40 FHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)c1C 7900651 BALGXXCUYMWEHD-JXMROGBWSA-N 363.417 3.890 30 40 FHEB COc1cc(Br)cc(/C=N/c2cccc([N+](=O)[O-])c2)c1O 8206649 NZAZWDQLQLWNOL-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 17073979 IOLPIKDMXHHVLX-HNNXBMFYSA-N 358.442 3.797 30 40 FHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 18197378 UYKUWYUJIRPQRY-VOJFVSQTSA-N 366.421 3.894 30 40 FHEB C#CCN(Cc1ccccc1Cl)C(=O)c1cc2c(C)nn(C)c2s1 58139245 NKNGJXXECKXZKW-UHFFFAOYSA-N 357.866 3.872 30 40 FHEB CC/C(C[C@](C)(CC)[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104110596 YQDQRRVKUQSBND-QTNMRXCUSA-N 353.335 3.516 30 40 FHEB Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c1C#N 245237507 LHYHHWZUYMUFST-AXAPSJFSSA-N 358.511 3.710 30 40 FHEB COC(=O)c1cc(/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)ccc1Cl 408742650 XLXOSXUXHFFVRZ-BTZNOAQDSA-N 369.808 3.868 30 40 FHEB CCOc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1OC 1473747 IQFOHRXBCFHWEQ-UNOMPAQXSA-N 354.435 3.897 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)o1 6054757 YDSIHUGEYPIVGH-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c(OC)c1OC 6136547 WMJKFCOEXKXXAU-RVDMUPIBSA-N 370.430 3.604 30 40 FHEB N#CCCN(Cc1ccco1)C(=O)CSc1ccc2ccccc2n1 7199709 MXCLPPJOEAHHOL-UHFFFAOYSA-N 351.431 3.862 30 40 FHEB COc1ccc(/C=N\Nc2ccccc2C)cc1Cn1cc([N+](=O)[O-])cn1 35212787 WQMVVNRWKMPWSC-JMIUGGIZSA-N 365.393 3.603 30 40 FHEB CCC(CC)CN(CCC#N)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 84727476 NWVAKZAWKBVKNO-UHFFFAOYSA-N 350.850 3.623 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)no1 102805521 JGZUCISDUCPYFX-SELCWUDQSA-N 360.369 3.609 30 40 FHEB CC(C)S(=O)(=O)c1ccccc1/C(O)=N/C[C@]1(O)CCCC(C)(C)C1 331228202 BUZVUSRKMBWGGM-IBGZPJMESA-N 367.511 3.505 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Sc2ccccc2)o1 409410160 ZSNQNCKMKQFKCL-DSIZOQBWSA-N 364.426 3.572 30 40 FHEB C[C@]12OC(=N)[C@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 4808986 MYHXPTPDSAEKDZ-RUOSDFBUSA-N 368.396 3.809 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N/OC(=O)Nc1cccc(Cl)c1 100149882 BEQDQZLERMKKGJ-RCCKNPSSSA-N 356.769 3.667 30 40 FHEB C=CCN(C(=O)CSc1nncn1-c1ccccc1C)c1ccccc1 12533529 OPIOSSVDJWRZKN-UHFFFAOYSA-N 364.474 3.887 30 40 FHEB C=CCOc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1OC 25049861 CELHLAPPGARKTK-UHFFFAOYSA-N 372.808 3.918 30 40 FHEB Cc1cccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)c1 3250996 VZDDORRTNBZBBM-UHFFFAOYSA-N 364.788 3.608 30 40 FHEB aggregator C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718234 KFIYNNXMMFWEDA-KRWDZBQOSA-N 364.445 3.860 30 40 FHEB N#CCn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 72328614 ZHQHYMIQLSKXJS-UHFFFAOYSA-N 366.783 3.716 30 40 FHEB O=S(=O)(/N=C(\O)CCCC1CCCCC1)c1ccc2c(c1)OCCO2 48461601 CMWGANSUPYXYBG-UHFFFAOYSA-N 367.467 3.854 30 40 FHEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c(O)c1 4045768 ASYAEDJERVGEER-WSDLNYQXSA-N 368.506 3.910 30 40 FHEB Cc1nnc(/N=C2\S/C(=C\c3cccc4cccnc34)C(=O)N2C)s1 13684790 VTKQAXQIZFNLLH-RNCDLMBZSA-N 367.459 3.629 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 408842119 LZGOZWHNMMVUMI-SFHVURJKSA-N 363.388 3.957 30 40 FHEB C#CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Br 408608445 LPSNWXZOVVIHMZ-UHFFFAOYSA-N 360.207 3.771 30 40 FHEB Cc1nnc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)s1 40467655 LDWCZRUEYBPZFX-QIUFTIAFSA-N 355.448 3.562 30 40 FHEB C=C(Cl)COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1 12296709 CLOJXZYWDKCALD-UHFFFAOYSA-N 370.792 3.554 30 40 FHEB biogenic C/C(=N/Cc1cccnc1)c1c(C)nn(-c2nc3ccccc3s2)c1O 18009992 BDIKYUOIVOAELM-MTJSOVHGSA-N 363.446 3.900 30 40 FHEB CCCCc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 7995051 LTBOUZOUHDDVQW-UHFFFAOYSA-N 360.461 3.931 30 40 FHEB COc1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc(OC)c1O 6497824 WFNFYMSRFRXZNX-VXLYETTFSA-N 355.419 3.818 30 40 FHEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(OCC)cc2)cc1 12822453 BPHLKTNHGBVYRH-VGOFMYFVSA-N 373.474 3.670 30 40 FHEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 20612415 FKXAMXHPWXNDIH-GHOUAXAESA-N 363.413 3.777 30 40 FHEB biogenic Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccc(F)cc2)c(C)c1 2233875 HANCFBNCQGTTLO-UIEFACPBSA-N 355.438 3.908 30 40 FHEB C[C@@H](S/C(=N\C#N)Nc1ccccc1)C(=O)Nc1ccc(Cl)cn1 13575136 HAFMDUMCZJWGEB-LLVKDONJSA-N 359.842 3.744 30 40 FHEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccccc3)c2=O)cc1 101576700 GTHIWDPIKPYESF-UDWIEESQSA-N 351.431 3.914 30 40 FHEB COC(=O)c1cc(/N=C/c2ccc(Cl)cc2)ccc1N1CCOCC1 102414066 RIJLCRSWZVGZOM-FYJGNVAPSA-N 358.825 3.714 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8494077 PYHGEDXWIBMUCI-MRXNPFEDSA-N 352.434 3.625 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)Cn3cnc4ccccc43)c2C#N)C1 12551445 QDKIKOKDUMSHIZ-GFCCVEGCSA-N 350.447 3.733 30 40 FHEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(C)O 118934641 DWOBOIHVETVJBV-SKOJYCSESA-N 350.474 3.578 30 40 FHEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 4174657 CDUZKQXFDAEYNN-UDWIEESQSA-N 367.430 3.892 30 40 FHEB N#Cc1cc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])cc1C#N 5777236 MDYPMCKRZMSPNW-SSDVNMTOSA-N 357.329 3.643 30 40 FHEB C=C(C)Cn1cnc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O 9423432 IJBDPROSXUCHPQ-UHFFFAOYSA-N 355.463 3.742 30 40 FHEB COc1cc(/C=N/Nc2ccccn2)ccc1Oc1ccc([N+](=O)[O-])cn1 408738747 NPCOEQYMXMZCOL-SRZZPIQSSA-N 365.349 3.632 30 40 FHEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1O 408730168 OEPMVVKMKKWUPH-DJKKODMXSA-N 357.391 3.872 30 40 FHEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1 223754163 JGDZQCAKPNBUCD-PYCFMQQDSA-N 355.438 3.666 30 40 FHEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)O)C[C@H]21 669679041 HIFJCPQKFCZDDL-FVSDTRTHSA-N 360.494 3.541 30 40 FHEB O=C(O)c1ccccc1/C=N/NC(=S)Nc1ccccc1C(F)(F)F 13338080 DNYJGOSHEANDQT-AWQFTUOYSA-N 367.352 3.724 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1ccccc1O 4455880 CPKPSQWAHFUTTO-KEBDBYFISA-N 353.300 3.850 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C(=O)N1C 408928831 DZQOKRZJUZOCFD-LLPDMMGZSA-N 368.458 3.806 30 40 FHEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 7634171 AVUDCAHUELFKPP-NSHDSACASA-N 366.874 3.554 30 40 FHEB C=C(C)COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 219778650 KLQPYCVXDMESTK-UHFFFAOYSA-N 350.462 3.600 30 40 FHEB CCOC(=O)/C(=C\Nc1ccc(O)cc1)C(=O)c1cc(F)c(F)cc1F 223586157 ADNOGFPNGYPHQG-LCYFTJDESA-N 365.307 3.551 30 40 FHEB C=C(Br)CNC(=O)C1(c2ccc(Br)cc2)CC1 49297770 OVGDYUGNTBNZJS-UHFFFAOYSA-N 359.061 3.506 30 40 FHEB CC/N=C1/S/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)N1CC 6317768 CTTXVUORKGUYPK-SXXHPKIYSA-N 355.463 3.798 30 40 FHEB C=CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1cccnc1 5520361 YQNKGBBIBIKXEW-BRQLWOPXSA-N 365.414 3.570 30 40 FHEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C#N)cc1 10510514 OPHKZRKQJAPGSH-UHFFFAOYSA-N 369.428 3.942 30 40 FHEB N#Cc1c(F)cccc1N1CCN(CCOc2ccccc2Cl)CC1 40024909 IUPWONWJUMKCLF-UHFFFAOYSA-N 359.832 3.552 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccco2)c(C#N)c1C 2738815 VPYRSIOMJCMURS-CMDGGOBGSA-N 357.435 3.655 30 40 FHEB COc1ccc(O)c(/C=N/c2ccc(I)cc2)c1 3205606 YCRNFQKEWWBPJZ-CXUHLZMHSA-N 353.159 3.756 30 40 FHEB CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 3997640 PCABVTNIDXAZMY-RBUKOAKNSA-N 369.417 3.536 30 40 FHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2cc(Cl)ccc21 5429219 ZZGQHBUDRJGRJI-GOSISDBHSA-N 361.850 3.703 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)n1 5643445 GRGFVKTYTZCQEK-LBPRGKRZSA-N 371.428 3.852 30 40 FHEB Cc1nnc(SCC(=O)Nc2sccc2C#N)n1C1CCCCC1 5865459 AIDLQLHANCILGL-UHFFFAOYSA-N 361.496 3.756 30 40 FHEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/c3ccccc3)S2)cc1C 17159759 JNAJAEHSVDGVRL-INIZCTEOSA-N 353.447 3.551 30 40 FHEB CSc1nncn1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611366 SWEIIYZRYKALBA-FBCYGCLPSA-N 366.805 3.847 30 40 FHEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C2 100261617 BSUPBEZJWQANHP-VFNWGFHPSA-N 371.433 3.581 30 40 FHEB CCCNc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccccc2F)n1 173041199 DKULEIIXBFNVIO-UHFFFAOYSA-N 363.396 3.957 30 40 FHEB O=C1/C(=N\Nc2nc3ccccc3s2)c2ccccc2N1C1CSC1 223719556 MCVPBEKGCJUUEM-SILNSSARSA-N 366.471 3.575 30 40 FHEB CCOC1(OCC)C(C#N)(C#N)[C@](C)(c2ccccc2)C1(OCC)OCC 721479 XSAGORWGNWWZEW-SFHVURJKSA-N 372.465 3.530 30 40 FHEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)o1 796001 HNAMOXUUIRHCSF-SFHVURJKSA-N 363.369 3.960 30 40 FHEB COc1ccc(C)cc1-n1c(SCC#N)nc2sc(C)c(C)c2c1=O 2624217 KDXOASRJADMRAP-UHFFFAOYSA-N 371.487 3.997 30 40 FHEB CCOC(=O)c1ccc(-n2c(C)cc(C=C(C(C)=O)C(C)=O)c2C)cc1 5174773 UEGCEUQQLSKQCX-UHFFFAOYSA-N 353.418 3.832 30 40 FHEB CC1(C)Cc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2O1 5783164 FNKQMEHDGKIDGG-UHFFFAOYSA-N 368.458 3.839 30 40 FHEB C=CCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c1C 12344964 FDIASNFMGGCVPP-WCRBZPEASA-N 355.457 3.531 30 40 FHEB Cc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(C)C1=O)OCO2 12468011 VQOOLBOIAVIGLV-ZRVSGIAJSA-N 352.415 3.958 30 40 FHEB CC(C)(C)c1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 20357824 JAGHXBYCCQLTPX-UHFFFAOYSA-N 368.481 3.645 30 40 FHEB CCN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@H]21 97161347 VYUGORKCQLPXFD-FQEVSTJZSA-N 374.444 3.603 30 40 FHEB O=C[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218664817 QTYUEJZYBMSWNC-PMPSAXMXSA-N 355.242 3.748 30 40 FHEB OC(=Nc1nc2c(s1)CCCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 328871559 YJESNPMKGLYION-HNNXBMFYSA-N 372.494 3.644 30 40 FHEB C=CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 408892658 IUESCTTYNZDCFP-XFXZXTDPSA-N 352.217 3.852 30 40 FHEB CC(C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409248977 ITZLPTOXWJZTLE-HZHRSRAPSA-N 366.461 3.798 30 40 FHEB Cc1ccc2cc(C#N)c(SCC(=O)NCc3cccs3)nc2c1 4849010 NSJBLKOBNJTJSF-UHFFFAOYSA-N 353.472 3.885 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 7709686 WMDNWCZLZDZQGV-UHFFFAOYSA-N 365.476 3.783 30 40 FHEB CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=S 9310671 MEEHYVWNLSDFPN-LICLKQGHSA-N 366.467 3.968 30 40 FHEB CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C/N(C)C)c1O)CCCC3 11866519 IHQBKWUVZABPFL-ZHACJKMWSA-N 355.434 3.588 30 40 FHEB COc1cccc([C@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)c1OC 15108055 XYPRKAGJYQBUJV-IBGZPJMESA-N 363.417 3.910 30 40 FHEB CCc1ccccc1NC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2 16955846 DQZUPLJMTFZQGW-UHFFFAOYSA-O 360.481 3.898 30 40 FHEB CC(C)/C=N/N=C1/NC(=O)[C@H](Cc2ccc(SC(F)F)cc2)S1 18209124 WWPQKMOSPVDZSZ-MEBUONCMSA-N 357.451 3.773 30 40 FHEB C=C(C)CN1CCN(Cc2ccc(OC)c(Cc3c(C)noc3C)c2)CC1 19581018 VKYWVHRHEAUNCT-UHFFFAOYSA-N 369.509 3.585 30 40 FHEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(COc2ccccc2)CC1 55081638 RPNFREMIVPCMKQ-GOSISDBHSA-N 369.509 3.509 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(OC)c21 100909556 ZCNIFCHWMONLJZ-HNENSFHCSA-N 369.402 3.547 30 40 FHEB COc1ccc(/N=C\c2ccc(O)c(I)c2)cc1 408961451 CILJCYBLNPQKKJ-SXGWCWSVSA-N 353.159 3.756 30 40 FHEB CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409402153 DAGBMAQCSSCBBT-UHFFFAOYSA-N 358.401 3.605 30 40 FHEB CCn1c(=O)c(/C(C)=N/c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 101161105 OUBGDLVPGSMAHZ-UDWIEESQSA-N 351.362 3.776 30 40 FHEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 12659616 JQWISHUBSOEHDO-RRPUWOKSSA-N 370.513 3.564 30 40 FHEB biogenic COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc(OC)c2O)S1 408881084 LSCPCPHDPLNISR-YBEGLDIGSA-N 370.430 3.609 30 40 FHEB CC(C)C[C@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 9155786 GVKGQGYHNOKNEE-SFHVURJKSA-N 362.433 3.717 30 40 FHEB Cn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/N=C/c1cccc(F)c1 4453596 BCXOYTZFQWTQND-HPCQOMFASA-N 356.382 3.736 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)COc1ccccc1-2 6510506 OHVSHGJLQZPNCO-UHFFFAOYSA-N 363.398 3.592 30 40 FHEB Cc1cc(O)ccc1/N=C/c1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1505840550 RQSCSMRAOMEQMT-FOKLQQMPSA-N 356.385 3.726 30 40 FHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224663556 XPFDGGKJXVMKJP-UHFFFAOYSA-N 352.253 3.830 30 40 FHEB COC(=O)c1sc2ncc(/C=C3/Cc4c(O)cccc4C3=O)cc2c1C 65999541 AXZVSALPHUXYIH-SDQBBNPISA-N 365.410 3.919 30 40 FHEB CCOC(=O)[C@H](N1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 12412206 HSSLGFAIWJIOPK-NRFANRHFSA-N 362.473 3.914 30 40 FHEB CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 5111649 ZDKUQLRWZWWVFK-AVBHYHMMSA-N 371.462 3.922 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2ccccc21 100875172 MJIJXYSXWNVPNJ-ZPHPHTNESA-N 371.259 3.840 30 40 FHEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN(C)C)o3)o2)cc1 20891020 OOAJPZLYOWXITL-UHFFFAOYSA-N 366.421 3.667 30 40 FHEB Cc1ccc(CSc2nncn2/N=C/c2cccc([N+](=O)[O-])c2)cc1 940359 WXTUBGYLYJWMHO-VXLYETTFSA-N 353.407 3.669 30 40 FHEB O=C(/C(=N/N=C/c1ccc(O)c(O)c1O)c1ccccc1)c1ccccc1 12625691 NXJQCFINFCCCIW-GDQHPZEDSA-N 360.369 3.510 30 40 FHEB CCOc1cc(C#N)ccc1OCc1ccc(C(=O)N2CCCC2)cc1 48236801 VNMJLBFSQYEDQL-UHFFFAOYSA-N 350.418 3.772 30 40 FHEB COc1cc2c(cc1OC)/C(=N\N=C1/C=C(O)CC(C)(C)C1)NC(C)(C)C2 3672470 AEOFRCZLIOVQRN-OEAKJJBVSA-N 371.481 3.993 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 6693877 GBHPFGIYUIIVHZ-CQSZACIVSA-N 371.437 3.586 30 40 FHEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C 66867504 VVDRCKIGJUQCPC-INIZCTEOSA-N 355.401 3.762 30 40 FHEB Cc1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1[N+](=O)[O-] 408748426 AEPORQQKPRXOSB-GRSHGNNSSA-N 367.321 3.912 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 409008047 VFEXFYHDTRGUTF-LCYFTJDESA-N 367.879 3.582 30 40 FHEB C[C@@H](/N=C(\S)NC1CCCCC1)[C@@H](c1cccs1)N1CCOCC1 13878780 NMOMXTJEULRUFE-PBHICJAKSA-N 367.584 3.718 30 40 FHEB Cc1cc(C)n(/N=C/c2ccc(OCc3ccccc3)cc2)c(=O)c1C#N 672196 ACTDQRKVTMDEAV-ZVHZXABRSA-N 357.413 3.798 30 40 FHEB N#Cc1ccccc1OCc1nnc(-c2ccccc2Br)o1 2638440 VJTTVMHLSVNJCE-UHFFFAOYSA-N 356.179 3.950 30 40 FHEB COc1ccc([C@H]2C[C@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 4114496 QRSLYQPONMQITO-IMAQQZIHSA-N 370.445 3.510 30 40 FHEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1 4474024 ZDXQEIPLCWLEPL-BAOKRACBSA-N 373.865 3.930 30 40 FHEB C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1 6856392 ZPBGVFCFTZWICC-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 10266897 ALLVDOFHVSVBAU-GOSISDBHSA-N 351.475 3.856 30 40 FHEB N#C[C@@H](C(=O)OCc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 19735918 KXVPEFWSHRPGBO-CQSZACIVSA-N 364.279 3.964 30 40 FHEB in-vitro C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)C1 20518060 CFUSTWQYPPFZOG-XALRFSPBSA-N 364.445 3.881 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccc(F)cc1 51366820 XHTDHQCBSYIFBW-CSMPYOBQSA-N 371.437 3.688 30 40 FHEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=N/C[C@H]1CCCO1 101728555 FWINXTFNGZSBNB-HMHKGCENSA-N 370.478 3.738 30 40 FHEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc4ccccc34)C2=O)c1 408535668 OKLWTORSVJYNBB-GOSISDBHSA-N 371.396 3.750 30 40 FHEB COC(=O)c1ccc(/N=C/c2cc(Br)c(N(C)C)o2)c(C)c1 408858632 RAYNSRMJHCLKTC-GIJQJNRQSA-N 365.227 3.954 30 40 FHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 974280 UIUNWMXQKVVVBW-XNAIMREJSA-N 368.458 3.979 30 40 FHEB O=C(CO/N=C/c1ccccc1OC(F)F)N1CCCc2ccccc21 3320816 SNGULYQILOXEHJ-WSDLNYQXSA-N 360.360 3.618 30 40 FHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2cccs2)cc1 4906498 VMIZEFCDDTUMCL-WCWRRMQUSA-N 359.476 3.611 30 40 FHEB C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(CC)cc2)c1 9220710 ARCHYGUZCIUEJK-UHFFFAOYSA-N 372.490 3.568 30 40 FHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CC1 12408292 DKALLRNLJUOADI-UHFFFAOYSA-N 372.490 3.781 30 40 FHEB COc1ccc2c(c1)CC/C(=C1/Nc3ccc(Cl)cc3NC1=O)C2=O 18279802 WKUUUXXIJVWHDE-VKAVYKQESA-N 354.793 3.796 30 40 FHEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)cc1 27664664 TUHZIOSHDHDODN-UHFFFAOYSA-N 365.389 3.871 30 40 FHEB N#C[C@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 41555816 JJJFYSHQEKEIBL-HNNXBMFYSA-N 373.334 3.939 30 40 FHEB O/C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)=N\c1ncn[nH]1 58173508 ZLXGBFWDIWIIJP-UHFFFAOYSA-N 362.368 3.627 30 40 FHEB O[C@@]1(c2ccc(F)cc2)CS/C(=N/c2cccnc2)N1Cc1ccco1 102764250 ACKLGCIZAVCIRE-ODUYVQIQSA-N 369.421 3.896 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccccc2)C1=O 103139436 JQNXNXZBSJUPKS-IIBYNOLFSA-N 373.497 3.535 30 40 FHEB Cc1cc(-c2cccnc2)cc(N2CCN(c3ccccn3)CC2)c1C#N 585145642 LQULVDCYBADZQT-UHFFFAOYSA-N 355.445 3.650 30 40 FHEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC 2347177 VGOZTVONWLOFNF-HNNXBMFYSA-N 354.454 3.817 30 40 FHEB N#CCCN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1ccccc1 3253919 NENYGWBKOTUMDR-UHFFFAOYSA-N 374.396 3.649 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 4902621 YUEQCGVAEUGEED-UHFFFAOYSA-N 356.407 3.518 30 40 FHEB Cc1cccc([C@@H](C#N)C(=O)CCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 5809171 ILCCISKRIOZMRJ-MRXNPFEDSA-N 365.389 3.889 30 40 FHEB COc1ccc(Cl)cc1CN1CCN(c2nc(C)cc(C)c2C#N)CC1 6059860 GYEUGNGUGSIFHW-UHFFFAOYSA-N 370.884 3.554 30 40 FHEB O=[N+]([O-])c1cc2c(cc1/C=N/NCc1c(Cl)cccc1Cl)OCO2 9196207 WXPNFTAVRKFBGF-NGYBGAFCSA-N 368.176 3.754 30 40 FHEB C=CCSc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC 9338790 XTGCHOFDSFTNNN-UHFFFAOYSA-N 356.447 3.802 30 40 FHEB CC(C)c1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)n1 13579084 WZDGFYOIVOFNJB-MRXNPFEDSA-N 351.431 3.501 30 40 FHEB CCOc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1OC 20932665 VFXMAEAQXJGBRP-XDHOZWIPSA-N 354.435 3.897 30 40 FHEB N#Cc1ccc(CN2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 22432122 FNPGWPWHZRSXGU-QFIPXVFZSA-N 374.488 3.537 30 40 FHEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccccc2Cl)o1 36611337 NBBYWKWXYQXBAP-GIJQJNRQSA-N 362.842 3.837 30 40 FHEB N#C[C@@H](c1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 72308610 FHPABCBPODTRGR-PMACEKPBSA-N 351.425 3.926 30 40 FHEB CCN1C(=O)/C(=C/Nc2ccccc2)S/C1=N/Nc1nc(C)cs1 104302451 BAXTZWDZUGYMHF-HKCQVPRMSA-N 359.480 3.683 30 40 FHEB CC[C@]1(C)NC(=O)N(/N=C/c2ccc(N(C)c3ccccc3)cc2)C1=O 3528168 YITLSSJMSSKGRA-LQOIVRHRSA-N 350.422 3.509 30 40 FHEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 4212441 VRTQRHLAZBBCKG-RBZZARIASA-N 352.902 3.602 30 40 FHEB biogenic,in-vitro C=CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2F)c(OC)c1 5461206 JZFUGYYEGQWUMI-UUYOSTAYSA-N 373.453 3.809 30 40 FHEB COc1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 6409374 BBAAQKXHXDYSKO-KGENOOAVSA-N 367.430 3.642 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)n(Cc2ccco2)c1C 9834312 SETORQVIJKPDKP-GASCZTMLSA-N 368.481 3.534 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)no1 13570593 JINOZBDFMNSJNX-MRXNPFEDSA-N 366.398 3.827 30 40 FHEB CCN(CC)[C@H](CNC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1 29919499 BDWKKZVKFRLWMY-QFIPXVFZSA-N 363.505 3.560 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br 35298879 RAGRIYNGSHWGLV-UHFFFAOYSA-N 358.239 3.852 30 40 FHEB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N\O)CC(C)(C)C2 100931477 RVHSXBQUZJNTNY-MTJSOVHGSA-N 356.378 3.720 30 40 FHEB N#Cc1c(F)cc(CNC(=O)CCc2cncc3ccccc23)cc1F 1296841638 LGCPFIZAKWVPCX-UHFFFAOYSA-N 351.356 3.634 30 40 FHEB C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccc(F)cc3)N2C1=O 1626633 JJOUVADKRBEFAF-BTDLBPIBSA-N 364.401 3.808 30 40 FHEB CCCOc1ccccc1/C=N/Nc1nnc2c3ccccc3n(C)c2n1 3962403 RDFZKEVQHWYMLW-FYJGNVAPSA-N 360.421 3.751 30 40 FHEB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 4079611 KMUVCWZKBFEMMK-LLVKDONJSA-N 354.431 3.783 30 40 FHEB CCCc1[nH]nc(O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 4631485 KYSCHESGFLCCBN-AWEZNQCLSA-N 359.227 3.626 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)o1 4978415 MFQFFTYNBDRJJA-GIDUJCDVSA-N 359.194 3.815 30 40 FHEB CCCc1nc([C@@H](C#N)c2ccccc2)c2nnn(Cc3ccccc3)c2n1 4985492 PEIJILUGCZVMHJ-SFHVURJKSA-N 368.444 3.878 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c(-c4ccccc4)c(C)nn23)cc1 5677998 ULHGSVYNBFPRES-UHFFFAOYSA-N 355.401 3.834 30 40 FHEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)NC2(C#N)CCCC2)cc1 6610167 NUDCODGNKODBKL-UHFFFAOYSA-N 368.458 3.833 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O 13140960 KBSXBLULGIILRX-UHFFFAOYSA-N 374.318 3.740 30 40 FHEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1cccc(Cl)c1 13769726 BGOVSABFECUAGH-UHFFFAOYSA-O 352.845 3.681 30 40 FHEB O[C@@H](CNC1CCCCC1)CO/N=C1/CCSc2c(Cl)cccc21 17122236 QSXLOGLVOHQEID-NNLSSIJJSA-N 368.930 3.840 30 40 FHEB COc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)c(OC)c1 18244023 KJDLQSGOSMHHNP-UHFFFAOYSA-N 361.195 3.539 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 30856023 JGEZJSFUIYTIGD-GOSISDBHSA-N 356.397 3.538 30 40 FHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 32559447 WQZOFLRECJYNJI-PBHICJAKSA-N 358.511 3.911 30 40 FHEB C[C@@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 107445298 YJRVMIDXXXLGRA-LLWNIXHBSA-N 366.408 3.579 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409124878 DFNAHTOIIRPPDD-RQZCQDPDSA-N 373.815 3.965 30 40 FHEB CCOc1ccc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2c1 1354918 RUQSKEHXQKZODX-UHFFFAOYSA-N 369.490 4.000 30 40 FHEB CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 78619942 MVZCTHVFKWFLAO-ZDUSSCGKSA-N 355.360 3.998 30 40 FHEB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1sccc1C#N 25244647 WDJBEUYPVBZFJZ-SNVBAGLBSA-N 361.496 3.590 30 40 FHEB CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 36093492 ZDKUQLRWZWWVFK-BUDGLOEYSA-N 371.462 3.922 30 40 FHEB N#Cc1c(-c2ccco2)nc(SCc2c(F)cccc2Cl)[nH]c1=O 19820833 XGUCPAMWZPEGPO-UHFFFAOYSA-N 361.785 3.986 30 40 FHEB COc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1OC(F)F 8156218 UBEQYCIHLQCALN-GORDUTHDSA-N 362.328 3.964 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 409007000 MAYDGCQCPOTKJT-LDADJPATSA-N 355.354 3.549 30 40 FHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224926157 XDMCOFLTAIWSLV-UHFFFAOYSA-N 370.789 3.769 30 40 FHEB COc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1O 33447517 FEEGKOFKDDCBBB-WDZFZDKYSA-N 361.191 3.822 30 40 FHEB Cn1nc(C(F)(F)F)c(/C=N/OCc2ccc([N+](=O)[O-])cc2)c1Cl 3041182 STZIFSIYBGWWDQ-NGYBGAFCSA-N 362.695 3.551 30 40 FHEB OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 103536516 YOZILOHZPSQOCU-UHFFFAOYSA-N 366.529 3.987 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718048 IJMKTNUFKGGJCO-CQSZACIVSA-N 370.836 3.896 30 40 FHEB CCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2361565 UBOLBVLOPOHWKO-UHFFFAOYSA-N 351.475 3.914 30 40 FHEB biogenic NC(=S)N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12 4090644 QYGBUBJURRYISK-ODCIPOBUSA-N 360.845 3.649 30 40 FHEB COc1c2c(cc3c1[C@H](/C(S)=N/c1ccccc1C)N(C)CC3)OCO2 6238000 YHVVMWZFOQHJRK-QGZVFWFLSA-N 370.474 3.921 30 40 FHEB biogenic C[C@@H](Sc1nccn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 7061624 RBVNPACINIKKMY-LLVKDONJSA-N 360.508 3.741 30 40 FHEB C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cc(C)cnc12 28332507 KQXSOLBRYPDBQS-UHFFFAOYSA-N 352.459 3.920 30 40 FHEB CN(C)c1ccc(/[N+]([O-])=C\c2ccc(Br)cc2[N+](=O)[O-])cc1 36130167 GUEMGAMTWVTTTQ-VCHYOVAHSA-N 364.199 3.684 30 40 FHEB C[C@@H](C(O)=Nc1ncn(C2CCCCC2)n1)n1ccc2ccccc2c1=O 329529824 VKBOHOHJSNKPGF-AWEZNQCLSA-N 365.437 3.947 30 40 FHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(O)cc2)C1=O 1144816 YBSHPQOULVCUQT-RVDMUPIBSA-N 353.399 3.546 30 40 FHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)cc2OC)c1C 8078820 PJCNODNQONAZRD-CSKARUKUSA-N 357.406 3.722 30 40 FHEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc2c(c1)OCO2 2994358 SVZBIZXAGNXFAT-NVNXTCNLSA-N 358.806 3.960 30 40 FHEB COc1ccc(CN/N=C/c2ccc(OC(C)C)c([N+](=O)[O-])c2)cc1OC 20196752 JFORAZMZFZJDEB-RGVLZGJSSA-N 373.409 3.523 30 40 FHEB COc1ccc(C(=O)/C=C\N2CCc3cc(O)c(OC)cc3[C@H]2C)cc1 103491208 CLJHHIMFBPOUKU-RBJHHQRMSA-N 353.418 3.725 30 40 FHEB C=C(C)Cn1c(SC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 2371979 SNZAHIWUMIKSAP-KRWDZBQOSA-N 350.509 3.997 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2sc3ccccc3c2O)c([N+](=O)[O-])c1 4844262 SILUEXULBQRHTF-LZYBPNLTSA-N 358.335 3.869 30 40 FHEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5902035 HQGBEXGFWUNAHY-SJCJKPOMSA-N 373.478 3.899 30 40 FHEB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 8217043 BUZRWFJECVDONJ-AWEZNQCLSA-N 353.809 3.512 30 40 FHEB Nc1sc(Cc2cccc(Cl)c2)c[n+]1CC(=O)c1ccc(F)cc1 5235382 ITEQVDYEAZMLOX-UHFFFAOYSA-O 361.849 3.884 30 40 FHEB O=C1Nc2ccccc2/C1=N/c1ccccc1/N=C1/C(=O)Nc2ccccc21 12377204 GRDONXZQIVAOMK-UHFFFAOYSA-N 366.380 3.832 30 40 FHEB O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@H]2CCc3ccccc32)ccc1Cl 1709433 QPWSYABODAIXIT-RPJLVFAOSA-N 374.853 3.734 30 40 FHEB CCOc1ccccc1[C@@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 85409078 RUPFXMQVLFANBB-QGZVFWFLSA-N 374.400 3.508 30 40 FHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@H](C)C(=O)OC)cc1)C2=O 8823714 LGSCXLBKSPHQMC-LPXFMOJISA-N 368.385 3.642 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 1175410 MKZUQXYFATULBG-XFFZJAGNSA-N 356.266 3.542 30 40 FHEB C=CCNc1sc(C(=O)c2ccc(Br)cc2)c(N)c1C#N 2250701 HIVKBOIIPGPTMF-UHFFFAOYSA-N 362.252 3.793 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 3098464 PCBFGNUQEMKSII-FQEVSTJZSA-N 367.445 3.846 30 40 FHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)c1 5376847 IRLUFPDIMIZGQQ-YBEGLDIGSA-N 352.415 3.893 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 6782317 OENSUVZQKUMQDT-GOSISDBHSA-N 369.417 3.628 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cccc(OC)c2)C1=O 7332303 RMGFXTCPGCKAMV-LGMDPLHJSA-N 365.385 3.522 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC2CCCCCC2)cc1 13104529 ZRZLLZMKLLODSP-SDNWHVSQSA-N 357.450 3.647 30 40 FHEB COc1cc(C(=O)/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC 32087472 XCNAZTUJUPVLLR-LCYFTJDESA-N 373.792 3.584 30 40 FHEB CC(C)[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 32836210 IMPBUXDREHALEK-OAQYLSRUSA-N 352.434 3.695 30 40 FHEB CC/C(C[C@@](C)(CC)[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104110587 YQDQRRVKUQSBND-MKRLJBPISA-N 353.335 3.516 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1C 223757387 IPLGAHILKQOBQX-XLNRJJMWSA-N 355.438 3.721 30 40 FHEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888685 RTSONWKYQVVCCS-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C#N 225772331 BQPRWQVJGBKKHB-UHFFFAOYSA-N 364.445 3.952 30 40 FHEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C/CCCC(=O)O)C[C@@H]12 252286729 HIFJCPQKFCZDDL-HZDXRQEKSA-N 360.494 3.541 30 40 FHEB N#C[C@H]1C2=C(CCCC2)S[C@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408740765 MHSDCHVBXMYXNY-KBGZNJIESA-N 374.378 3.668 30 40 FHEB Cc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1-c1ccccc1 12372030 SMSWQHIXOGNPQE-UHFFFAOYSA-N 365.462 3.933 30 40 FHEB N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 996590 CTBPQRVTAVZHTC-SOFGYWHQSA-N 352.415 3.879 30 40 FHEB CN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N/c1nccs1 102768872 NPHGJEWQCRKTHB-FTGJVFTCSA-N 352.444 3.925 30 40 FHEB N#Cc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139664 USEHBPISOZBJQD-UHFFFAOYSA-N 358.445 3.858 30 40 FHEB COC(=O)C(C(=O)CSc1ccc(Cl)cc1)=C1Nc2ccccc2N1 22846053 NWGFJVLJBIUIDB-UHFFFAOYSA-N 374.849 3.923 30 40 FHEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1cccc(Cl)c1 12974759 HJZGHDCDIQCUGY-LBPRGKRZSA-N 370.792 3.620 30 40 FHEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 13423928 ZNCNTHRGFRLTLV-ZJYNUGOYSA-N 373.865 3.930 30 40 FHEB Cc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCC3 6051693 CJXGVRNCSLHULQ-UHFFFAOYSA-N 353.472 3.860 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3C)OCO4)S2)cc1 408966706 QBAGKYPIPZXTLY-RQZCQDPDSA-N 352.415 3.924 30 40 FHEB C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1cccs1 4936172 POVNOQUCOMZKBQ-RYSKPNPXSA-N 373.478 3.950 30 40 FHEB C#C[C@H]1CN(C23CC4CC(CC(C4)C2)C3)C[C@H](C#C)N1Cc1ccccc1 96835200 RZPRZMVXVOSGBW-SAFIRIESSA-N 358.529 3.777 30 40 FHEB COc1ccc(CN/N=C/c2ccc(C)c(Br)c2)cc1OC 20196002 ADJQOZZYKOAQBQ-VXLYETTFSA-N 363.255 3.898 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 509548314 GJGCVORRFMZKSD-MRXNPFEDSA-N 350.344 3.559 30 40 FHEB Cc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] 408628129 PXAOMDMWSULEGO-UHFFFAOYSA-N 374.447 3.580 30 40 FHEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2ccccc21 223718248 DSRKBPICPGWVAM-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB C=CCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S 13476532 RQZQIHZNBYBTKA-YRNVUSSQSA-N 356.266 3.542 30 40 FHEB C=CCn1c(Sc2ncnc(CC)c2F)nnc1-c1ccccc1F 157074391 KHXRZWQIDAEBTQ-UHFFFAOYSA-N 359.405 3.913 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccccc2C(F)(F)F)c1 2629783 FKNSRNCUSHWFIU-KEBDBYFISA-N 356.369 3.635 30 40 FHEB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1sccc1C#N 5619379 PWLTVRXBJAEQBG-UHFFFAOYSA-N 369.475 3.548 30 40 FHEB CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](C)CC1=O)N2 22608287 FULOESUDTYECLY-VFZGTOFNSA-N 360.870 3.921 30 40 FHEB C=CCSc1nnc(NC(=O)CCc2cnn(-c3ccccc3)c2)s1 32808618 XJFQZJTUCXRQSL-UHFFFAOYSA-N 371.491 3.573 30 40 FHEB CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 703545 IMSWFBZTJOFICF-HXUWFJFHSA-N 360.417 3.735 30 40 FHEB COc1ccc(CNc2oc(COc3ccc(OC)cc3)nc2C#N)cc1 730246 KVXFOQCNDQHEHG-UHFFFAOYSA-N 365.389 3.755 30 40 FHEB COc1cc(C#N)cc(I)c1OCc1ccccc1 2801472 OKEXMCIGXPWDAE-UHFFFAOYSA-N 365.170 3.750 30 40 FHEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 4690381 AHIQWNRPXDXWJG-CAOOACKPSA-N 364.382 3.523 30 40 FHEB Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c(C#N)c(C)c1C 5089458 FOQZBMMRKNXXMS-UHFFFAOYSA-N 356.495 3.656 30 40 FHEB COc1ccc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1OC 5101076 XBMFRMJZQGFNFC-UHFFFAOYSA-N 364.401 3.529 30 40 FHEB C[C@@H](Oc1ccc(Cl)cc1)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5450822 UJCGBDPJLSMZIE-HJPCULJESA-N 371.820 3.592 30 40 FHEB C=CCc1ccccc1OCc1cc(=O)n2nc(SC(C)C)sc2n1 6738854 SZUOCJRXZATHOY-UHFFFAOYSA-N 373.503 3.959 30 40 FHEB COc1ccc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)cc1OC 7461802 PNDDWAVINLRVEU-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br 12750351 RHVTYGYYOOPVTA-SNVBAGLBSA-N 364.268 3.672 30 40 FHEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 13562915 IUYNOHCDQWSYCD-OAGGEKHMSA-N 366.465 3.671 30 40 FHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CC 13720134 HKQJQCPBWQSIJG-UHFFFAOYSA-N 360.479 3.781 30 40 FHEB COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)CN1CC2 15306814 HAPOKUSVNOKHRF-ZRWTVWRYSA-N 374.481 3.588 30 40 FHEB CSc1nnc(C(F)F)n1/N=C/c1cc(Br)cs1 36611326 MDTVMCNCUFYZNI-QLKAYGNNSA-N 353.217 3.644 30 40 FHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 101226875 UPLQQLKUNUXJAM-MBOBHEEDSA-N 365.458 3.833 30 40 FHEB CCCO[C@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@H](C)C1 225855593 CQQNAFQTFWVQAZ-VBKZILBWSA-N 358.438 3.798 30 40 FHEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1cccc(F)c1 225886524 NWELZZOXGXFFDQ-UHFFFAOYSA-N 351.337 3.650 30 40 FHEB Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)s1 408794024 RDDJFFMVUMPFSC-DNSBCFGZSA-N 358.444 3.989 30 40 FHEB NC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408896081 MSGUTQNIRIANGQ-UFWORHAWSA-N 354.262 3.740 30 40 FHEB N#CCCCN1CCc2cc(Br)c(Br)cc2C1 595850196 LGZVDKYVCJOBGD-UHFFFAOYSA-N 358.077 3.873 30 40 FHEB C#CCCC1(CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)N=N1 1259052766 KWCOKYWPABFUMJ-UHFFFAOYSA-N 353.447 3.598 30 40 FHEB COc1ccc(N/N=C(/C#N)C(=O)c2ccc(Br)cc2)cc1 704304 MDRNRIQOKQWWNK-HKWRFOASSA-N 358.195 3.632 30 40 FHEB CCCCN1C(=O)/C(=N\N=c2\sc3ccccc3n2C)c2ccccc21 3266315 YONWAWKQVIWKLI-XHINFCROSA-N 364.474 3.692 30 40 FHEB CC(C)c1cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(O)c(C(C)C)c1 7204867 DRSMZTWBJMGLDR-OAQYLSRUSA-N 374.481 3.850 30 40 FHEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 10148839 RHCKFXRBUHCZBD-VQHVLOKHSA-N 369.812 3.733 30 40 FHEB CCOc1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1O 12412400 DFLGMQSIIWEGOA-HMAPJEAMSA-N 373.884 3.596 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 14608147 XHODRZGDKXIESP-FVMDXXJSSA-N 373.254 3.617 30 40 FHEB CCn1c(O)c(C(=O)c2oc3ccc(Cl)cc3c2C)c(C)c(C#N)c1=O 16806490 FRPKSFNXOIQYOG-UHFFFAOYSA-N 370.792 3.693 30 40 FHEB C=C(C)COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1OC 49545962 MPORNKNSPZGZJU-KRWDZBQOSA-N 359.451 3.808 30 40 FHEB CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 70007975 RCNCZKAAWKCJBO-NRFANRHFSA-N 357.473 3.700 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccccc2C)sc2cc3c(cc21)OCO3 101035437 FXMXSRFLRVOGMC-VXPUYCOJSA-N 352.415 3.667 30 40 FHEB COc1ccc(/C(C)=N/OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 101080509 YTQJQMDUOCLHHT-SAKJISMLSA-N 358.482 3.863 30 40 FHEB CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(C)cc2)Sc2ccccc2N1 104274704 GWKQWJBMDNNRGP-UHFFFAOYSA-N 366.442 3.911 30 40 FHEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 409133590 LPMRDNUNHXPMNP-SRZZPIQSSA-N 362.788 3.765 30 40 FHEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1723525 GVLGOWGCPBUEMJ-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 3901746 OTOPSFHFGHPMGO-HXUWFJFHSA-N 367.445 3.782 30 40 FHEB C[C@H](/N=C(/S)NC1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 13686094 FAUWWTDVZLACIY-LPHOPBHVSA-N 361.555 3.657 30 40 FHEB C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 4344353 LFGUOKSONBHVJF-TZVIPLRESA-N 370.365 3.745 30 40 FHEB CCOCCCn1c(SCCCC#N)nc2sc(C)c(C)c2c1=O 5570605 PNUQJVHUSDFJEN-UHFFFAOYSA-N 365.524 3.897 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl 5669021 ZGWLRZNKDSJIEB-SFHVURJKSA-N 355.821 3.867 30 40 FHEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC 18067169 YVNCHMOXNVRRMX-LOPKLFAVSA-N 374.293 3.662 30 40 FHEB N#Cc1ccc(-n2nccc2NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 597228098 CZMAMGFBGVFZJB-YJBOKZPZSA-N 356.376 3.898 30 40 FHEB O=C(/C=C/c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100508872 HDMHSGCTVDZECL-MEUATQRDSA-N 369.420 3.894 30 40 FHEB CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCN(C)C2 2268418 JBWOKXKILRGHHC-KEBDBYFISA-N 358.463 3.677 30 40 FHEB Cc1ccc(NC(=O)N2CCCN(c3ncccc3C#N)CC2)cc1Cl 19835028 YLNPFNSWULLEPY-UHFFFAOYSA-N 369.856 3.659 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 19928210 AZSIJBLIRDZNPO-UHFFFAOYSA-N 369.837 3.728 30 40 FHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 20094978 NIRRINNIYYSZPZ-KPZWWZAWSA-N 366.421 3.894 30 40 FHEB Cc1nc(-c2ccccc2)nc(SCC(=O)N2CCC(C)CC2)c1C#N 27789352 XHSDDYIPGNXRBI-UHFFFAOYSA-N 366.490 3.674 30 40 FHEB Cc1ccc(OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c([N+](=O)[O-])n1 32666627 ACFVLSKGXTWYNF-WQRHYEAKSA-N 367.405 3.558 30 40 FHEB Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3cc(C)sc3C)CC2)o1 187947155 FMADGORZHXFGPZ-GFCCVEGCSA-N 372.494 3.627 30 40 FHEB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)c1 585295231 QVWFKETVZRUGPE-KRWDZBQOSA-N 362.462 3.885 30 40 FHEB N#C[C@@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@H]12 1272731 NJIMBDNRCFGZTG-QFBILLFUSA-N 350.381 3.762 30 40 FHEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1ccccc1 4180244 GFOUKZLYBIACKZ-RCCKNPSSSA-N 359.437 3.661 30 40 FHEB CCCN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4554669 KBDLEZYQTZFKRY-QEVSYEORSA-N 361.441 3.860 30 40 FHEB CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1cccc(C)n1 5520373 SNWYTOBGAVEXRF-ZJCTVUPVSA-N 367.430 3.712 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 16427924 KOBBWTSRUKXRQN-ZDLGFXPLSA-N 352.306 3.808 30 40 FHEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc(Cl)cc1Cl 27525374 POAPSFHOQORHBD-KEBDBYFISA-N 359.216 3.803 30 40 FHEB C=CCn1c(Sc2nc3cc(C)nn3c3ccccc23)nnc1C1CC1 40071542 GCVYXSAOTYKKOV-UHFFFAOYSA-N 362.462 3.997 30 40 FHEB C=CCN1C(=O)[C@@]2(Nc3cc(Cl)ccc3C(=O)N2CC)c2ccccc21 58167463 BGXHMXXHZSUPSW-HXUWFJFHSA-N 367.836 3.613 30 40 FHEB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(C#N)cc1 58247474 OXBJUBRDHPWQAP-UHFFFAOYSA-N 352.344 3.642 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2F)nc1COc1ccccc1 223681161 WJSLWVBEZHBVSL-UHFFFAOYSA-N 366.421 3.941 30 40 FHEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224718860 DESZHDOWMLLUJD-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)o1 408959610 BXAJXYCUKCXFJG-SSDVNMTOSA-N 374.352 3.583 30 40 FHEB N#Cc1cc(F)ccc1-n1ccc(NC(=O)NC[C@H]2CCCC23CC3)n1 952963773 KHNYAFUSSWMOFV-CQSZACIVSA-N 353.401 3.585 30 40 FHEB O=C(/C(=C\Nc1ccccc1)c1nnnn1-c1ccccc1)c1ccccc1 5278589 MXKIOFDIKPYDTC-CAPFRKAQSA-N 367.412 3.998 30 40 FHEB C=CCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1OC 13612469 RZOPARCCMXQCHO-UHFFFAOYSA-N 350.462 3.954 30 40 FHEB C[C@H](C(=O)Nc1sccc1C#N)N(C)Cc1c(F)cccc1Cl 14185362 JBQFBMDDBZMHAH-SNVBAGLBSA-N 351.834 3.871 30 40 FHEB CC/N=C1\S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC 15013318 RHJGSCJXSISQBL-HOOMGSECSA-N 368.506 3.855 30 40 FHEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]nc(O)c32)o1 18200458 UWXSBQZRZHAZTC-MGPLVRAMSA-N 351.362 3.568 30 40 FHEB C#CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Br)c1 216817898 RZQKQQPUSBPMKW-UHFFFAOYSA-N 363.182 3.957 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346777 DPXLGUCLFBYOGB-HXUWFJFHSA-N 350.462 3.715 30 40 FHEB CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N 97472962 ROYYFFVLQBYLCN-UHFFFAOYSA-N 354.429 3.859 30 40 FHEB N#CCSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3563653 JIUOPTXXGIXPMF-UHFFFAOYSA-N 359.357 3.603 30 40 FHEB CCCOc1ccc2c(c1)C(=NNC(N)=S)c1cc(OCCC)ccc1-2 3672139 FXINNMTWIPFRNL-UHFFFAOYSA-N 369.490 3.830 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1N2)OCO3 18197409 ZHINEQCENCJWFK-FQEVSTJZSA-N 363.369 3.709 30 40 FHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1occc1C 409324934 WQRMVRPXMNYEMR-UHFFFAOYSA-N 374.238 3.895 30 40 FHEB COc1ccccc1/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408816503 TZWBJTCVACWUQY-XKZIYDEJSA-N 364.401 3.734 30 40 FHEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2C)c1 225860781 WQSJZBDMOFGPIE-UHFFFAOYSA-N 358.445 3.788 30 40 FHEB COc1ccc(OC)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1 253616989 NJLNDCLHMPBGKH-UHFFFAOYSA-N 374.853 3.787 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257198367 DLURJPMDGSFIIF-JNJNGYKKSA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro Cc1noc(C)c1[C@H](C)CN=c1[nH]c2c(c(C#N)c1C#N)CCCCCC2 619486569 DTHKDMXTEOIVTJ-CYBMUJFWSA-N 363.465 3.726 30 40 FHEB Cc1cccnc1CN1CCC[C@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585294670 TWYWDRZQTRVOFL-FQEVSTJZSA-N 371.448 3.527 30 40 FHEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cccc(Br)c1 1814319 PXNLAGOFCVSYEP-UDWIEESQSA-N 370.250 3.994 30 40 FHEB Cc1cccc2c1[nH]c1nc(N/N=C\c3cc(Cl)ccc3O)nnc12 4491430 GAWVHKHUAUCCKJ-UWVJOHFNSA-N 352.785 3.620 30 40 FHEB C=C(C)Cn1c(SCC#N)nc2sc3c(c2c1=O)CC(C)(C)OC3 4785688 DBFWBLOQDPQARP-UHFFFAOYSA-N 361.492 3.501 30 40 FHEB COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccccc1C 4889149 HFQHTMUNHGXRQL-GHJLDSRNSA-N 367.474 3.858 30 40 FHEB O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1cnc2ccccc21 5521230 FJPUEQGQZXHDQA-INIZCTEOSA-N 369.424 3.847 30 40 FHEB COCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N 12419006 OLFQHQMWABBZJM-UHFFFAOYSA-N 353.378 3.752 30 40 FHEB O/C(CN1CCC[C@H]1Cn1cccn1)=N\c1nnc(C2CCCCC2)s1 19714153 KFQUXWRBOCOHDN-HNNXBMFYSA-N 374.514 3.535 30 40 FHEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(OC3CCCC3)cc2)cc1 84384041 HRLYEAINLREARL-UHFFFAOYSA-N 370.430 3.573 30 40 FHEB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(CC#N)cc1 225739752 BHUYPDRGRDXGCP-MRXNPFEDSA-N 364.518 3.880 30 40 FHEB Cc1cccnc1CN1CCC[C@@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585294672 TWYWDRZQTRVOFL-HXUWFJFHSA-N 371.448 3.527 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(Cc3ccco3)c2C)cc1 3186083 DWYLOTXPBOLMAU-UHFFFAOYSA-N 372.446 3.748 30 40 FHEB CCOC(=O)/C(=N/C1CCCCC1)NNc1cccc(C(F)(F)F)c1 3188351 SVBFGBGNRXPLRP-UHFFFAOYSA-N 357.376 3.916 30 40 FHEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc3c(c2)OCO3)[nH]c1=O 4576492 FQGIPQRBIWLVQJ-UHFFFAOYSA-N 350.761 3.963 30 40 FHEB biogenic,in-vitro C=CCn1c(C)nnc1S[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 4936511 NLTBZZBNOLEKQJ-JTQLQIEISA-N 361.496 3.541 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 5425187 UOFOKSALTPLFTD-SGTLLEGYSA-N 366.808 3.940 30 40 FHEB N#Cc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 8269813 XCFVLYZTESGSCL-UHFFFAOYSA-N 365.477 3.610 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 10814161 ZZNOSQUHSJFERO-QGZVFWFLSA-N 357.413 3.954 30 40 FHEB CCOc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC 12938947 MWPNRWCZBBQMMZ-QPJJXVBHSA-N 372.808 3.813 30 40 FHEB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 12976614 LNAQTLDBZZJBTB-MGPUTAFESA-N 350.418 3.698 30 40 FHEB CC1CCN(CN2C(=O)/C(=N\c3ccc(F)cc3)c3ccccc32)CC1 22022808 BPILFSKGZLGKSU-ATJXCDBQSA-N 351.425 3.983 30 40 FHEB CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608291 FULOESUDTYECLY-PSLIRLAXSA-N 360.870 3.921 30 40 FHEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1cccs1 29934194 BFSFGGVQSIWANS-UHFFFAOYSA-N 352.484 3.938 30 40 FHEB N#Cc1ccc(COC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 32912275 QOYNWMWRYFYQMZ-UHFFFAOYSA-N 357.369 3.563 30 40 FHEB O=Cc1ccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117264 FMTMVZGJWUAXOE-QGZVFWFLSA-N 373.408 3.688 30 40 FHEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224584780 ALCAVWSVQRMNOT-UHFFFAOYSA-N 361.463 3.865 30 40 FHEB C#CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br 408559906 XAZJIKBPFPWFLR-UHFFFAOYSA-N 361.195 3.981 30 40 FHEB O=[N+]([O-])c1cccc(/N=C\c2ccc(O)c(I)c2)c1 408965589 WEDSPJJETXEQPK-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409064217 COPQRCWZBHBMIR-SFQUDFHCSA-N 358.463 3.908 30 40 FHEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 409104428 ZOWGNNLKRJXDQX-LGLNPBJMSA-N 367.474 3.808 30 40 FHEB CC1(C)Cc2c(sc(NC(=S)NCc3ccccc3)c2C#N)CO1 870828 STUHECVHGIEQOQ-UHFFFAOYSA-N 357.504 3.958 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2nc3ncccn3c2Br)n1 4136436 QSCRAZSLRMGPFD-UHFFFAOYSA-N 374.267 3.668 30 40 FHEB N#Cc1ccccc1OCC(=O)OCc1csc(-c2ccccc2)n1 3268963 DFZDRRDIRVNTOG-UHFFFAOYSA-N 350.399 3.804 30 40 FHEB CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2376355 PENQXNIWKBQDRA-HNNXBMFYSA-N 352.438 3.571 30 40 FHEB Cc1ccc(C)c(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 13758492 QUYABGYJQJIULK-UHFFFAOYSA-O 364.444 3.783 30 40 FHEB N#Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1Br 4501693 JVVQIHBFUNOEOZ-SOFGYWHQSA-N 358.191 3.998 30 40 FHEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 409105689 JCYFLOWGQVLOJV-IEMQHYRPSA-N 368.414 3.786 30 40 FHEB C[C@@H]1CC[C@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 95996096 GDIKYKHXTOMNAY-HIFRSBDPSA-N 369.421 3.754 30 40 FHEB CCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608342 ATORFYNNJGJSNH-DIFFPNOSSA-N 370.478 3.667 30 40 FHEB C=CCOC(=O)COc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340613 NHFDKJHGYXAKPX-UHFFFAOYSA-N 350.370 3.876 30 40 FHEB biogenic C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 33406218 QCOVCJQGBPASPF-NNPDONQDSA-N 367.449 3.888 30 40 FHEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224659915 YJYXJDKJDYJEOF-UHFFFAOYSA-N 361.463 3.784 30 40 FHEB N#Cc1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 95080972 DQRQFVWKZGBYOI-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB COc1ccc(/C=N/NC(=S)Nc2cccc3cccnc23)cc1OC 5640303 GVZRYYSZXTUHSK-CIAFOILYSA-N 366.446 3.573 30 40 FHEB COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@H]1CC=C(C)CC1)N(C)CC3)OCO2 20411776 LURJWDVAWXQBDF-ZBBYLCNOSA-N 372.465 3.920 30 40 FHEB biogenic C[C@@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 52150684 QUIIWNIRJIQLLX-LLVKDONJSA-N 370.474 3.725 30 40 FHEB COC(=O)c1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1 3266162 SUZKQUDZIINCHR-UDWIEESQSA-N 355.463 3.917 30 40 FHEB CN(Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4073460 QLVBIAQQOPHQOC-XPRTXTSQSA-N 369.505 3.645 30 40 FHEB biogenic CN(C)c1ccc(/C=N/Nc2cncc([C@@H](C#N)c3ccccc3)n2)cc1 4117001 DUQKHLJZEIEDSL-BBMHEYIBSA-N 356.433 3.644 30 40 FHEB Cc1cc(S[C@H](C)C(=O)N2CCCC2)n2c(nc3ccccc32)c1C#N 4269687 TUXBGLATTZHROK-CQSZACIVSA-N 364.474 3.771 30 40 FHEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1 4460301 SOMCSFNHZJCQEO-VIZOYTHASA-N 366.127 3.722 30 40 FHEB COc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1O 4702425 XIZNZWKPUVVKDH-DHDCSXOGSA-N 360.822 3.946 30 40 FHEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 4996610 ZNCNTHRGFRLTLV-MEUCICPISA-N 373.865 3.930 30 40 FHEB N#CCOc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9547390 PHGPACFWZIFRLX-IDUWFGFVSA-N 369.760 3.725 30 40 FHEB N/C(=N\c1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F 13634124 UWPOLFZJWJMSRP-UHFFFAOYSA-N 373.338 3.514 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl 32832139 UWTAFYJQTNKADF-SJCJKPOMSA-N 356.297 3.868 30 40 FHEB C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 40135255 XTSRDVRTYZQPKR-OAHLLOKOSA-N 362.433 3.886 30 40 FHEB Cc1nc(-c2ccc(C#N)cc2)n(CC(=O)Nc2cccc(Cl)c2C)n1 58250260 HACOHFAFGKNUBR-UHFFFAOYSA-N 365.824 3.726 30 40 FHEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2c1CCCC2 59418839 KWCAHIRQVSREKA-QGMBQPNBSA-N 372.362 3.771 30 40 FHEB N#Cc1cc(C#N)c(SCc2c(Cl)ccc3cccnc23)nc1N 77896737 BUBYTDMHXUPYBC-UHFFFAOYSA-N 351.822 3.901 30 40 FHEB C/C(=N\Nc1cc(-n2cc(C)cn2)ncn1)c1ccc(Br)cc1 4595728 DHKYGLGABZADBG-CIAFOILYSA-N 371.242 3.569 30 40 FHEB CCCSc1nnc(N/N=C(/C)c2ccc(Br)cc2)[nH]1 7262852 VQDXKRJXRNOIKC-SXGWCWSVSA-N 354.277 3.905 30 40 FHEB O=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccc(Cl)cc2)=C1O 8513441 ISLPXIXVPYLXIU-MRXNPFEDSA-N 359.721 3.541 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12876464 PXDCBVBYPZEBGN-GOSISDBHSA-N 372.446 3.827 30 40 FHEB N#Cc1cccc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)c1 12891429 WFZZTFSMILJKRC-UHFFFAOYSA-N 360.442 3.917 30 40 FHEB Cc1csc(C2=C(N)N(c3ccc(Cl)c(C(F)(F)F)c3)CC2=O)n1 13724414 BVBBXEXULUFSHB-UHFFFAOYSA-N 373.787 3.840 30 40 FHEB N#CCCN(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 14672799 OROJBLXGDMSANW-UHFFFAOYSA-N 361.489 3.888 30 40 FHEB COc1ccc2ccccc2c1[C@H]1NC(=O)NC2=C1C(=O)c1ccccc12 28465822 SWJAWZQPYGNABB-HXUWFJFHSA-N 356.381 3.810 30 40 FHEB C=CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC=C)CCCC3)cc2)CCCC1 67194130 KWAOMLVMQLQEJK-UHFFFAOYSA-N 374.572 3.983 30 40 FHEB C#C[C@@H]1CN(C23CC4CC(CC(C4)C2)C3)C[C@@H](C#C)N1Cc1ccccc1 96835201 RZPRZMVXVOSGBW-AFNPQLDUSA-N 358.529 3.777 30 40 FHEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc2c1CCCC2 102145093 LLOXBHWGJNTIKI-AWEZNQCLSA-N 368.458 3.987 30 40 FHEB N#CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211509920 NNKQWNYSJZSYLB-WJDWOHSUSA-N 352.371 3.948 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@]2(C)C[C@H]1OC(=O)c1ccc(O)cc1 253487372 JJEBKVFRHNKOBW-CBTLFIELSA-N 374.477 3.838 30 40 FHEB C=CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714322 OHTZTQMMWAABIG-UHFFFAOYSA-N 363.417 3.882 30 40 FHEB COCc1cc(C)nc(N/N=C\c2c(C)nn(-c3ccccc3)c2C)c1C#N 408996291 HEUJDXSCVLDOBR-FMCGGJTJSA-N 374.448 3.657 30 40 FHEB CSc1nc(NCCOC(=O)C(C)C)c(C#N)c(-c2ccc(C)cc2)n1 5607439 LOKQVVANCMHMBK-UHFFFAOYSA-N 370.478 3.657 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)cc4C)CC3=O)[nH]c2c1 7995050 LWJQWMOBJAJMHU-UHFFFAOYSA-N 352.825 3.550 30 40 FHEB C[C@H](S/C(=N\C#N)Nc1ccccc1)C(=O)Nc1ccc(Cl)cn1 13575139 HAFMDUMCZJWGEB-NSHDSACASA-N 359.842 3.744 30 40 FHEB C#CCCCCC(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1 95983796 YDDGXOJSMUACPE-UHFFFAOYSA-N 354.372 3.730 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OCC 409340319 UZMNYEVIBQDBTR-WQLSENKSSA-N 355.868 3.792 30 40 FHEB C=CCOc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409410159 ZSKWJXUOYWUUPY-SNHGZMDHSA-N 372.424 3.546 30 40 FHEB C=CCN(Cc1cc(=O)n2c(C)csc2n1)Cc1ccc(Cl)s1 23653282 ZCADQBPBHFQIJL-UHFFFAOYSA-N 365.911 3.968 30 40 FHEB N#Cc1ccccc1NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 44054043 UFLCANHVGQKQCC-KRWDZBQOSA-N 367.474 3.642 30 40 FHEB N#Cc1ccc(SCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 102981195 YBHYZSWTSIGAIE-UHFFFAOYSA-N 374.469 3.963 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409045459 YOVYCZRWHSIRGV-WOJGMQOQSA-N 361.426 3.635 30 40 FHEB N#Cc1ccccc1OC(=O)COc1ccc(Cl)cc1Br 15656921 HIFJVLFEHRYTSV-UHFFFAOYSA-N 366.598 3.959 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889518 BWJBXFMSJDXUJJ-UHFFFAOYSA-N 364.854 3.680 30 40 FHEB N#Cc1cc(F)ccc1-n1ccc(NC(=O)NC[C@@H]2CCCC23CC3)n1 952963766 KHNYAFUSSWMOFV-AWEZNQCLSA-N 353.401 3.585 30 40 FHEB C=CCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc([N+](=O)[O-])cc1 3097420 VGZFWQDESUEOLE-VBKFSLOCSA-N 350.330 3.504 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(OC)c2)c1C 3308820 ROOWGWBZEJPQRD-MDZDMXLPSA-N 353.418 3.739 30 40 FHEB N#CCc1ccc(OC[C@H](O)CSc2ccc3ccccc3n2)cc1 7032043 KDEQCURIDGIGAP-KRWDZBQOSA-N 350.443 3.833 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2)c1=O 4940242 XITHVLRQRHCTTI-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1cnc2ccccc21 5521228 FJPUEQGQZXHDQA-MRXNPFEDSA-N 369.424 3.847 30 40 FHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 102888930 IAYVZBZKVMSPJY-WOOAAIBNSA-N 374.396 3.918 30 40 FHEB COc1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1OCCCC#N 103341033 AHYIAUHJJRYUIX-UHFFFAOYSA-N 359.514 3.777 30 40 FHEB C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 7550935 QKEVVIQOKHCSJH-AWEZNQCLSA-N 355.221 3.693 30 40 FHEB C=CCn1c(C)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 1101695 VIIBSIFCAIYSKU-KGENOOAVSA-N 367.474 3.757 30 40 FHEB Cc1ccc(NC(=O)COC(=O)c2[nH]c3ccccc3c2C#N)cc1Cl 9329131 LNTGYEZDPPCUKZ-UHFFFAOYSA-N 367.792 3.797 30 40 FHEB C=CCn1c(SCc2cccc(OC)c2)nc(C(F)(F)F)cc1=O 1403057 PSTAAUPTIDROTQ-UHFFFAOYSA-N 356.369 3.749 30 40 FHEB O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 20479166 FJMWVXYPPYBLBC-UHFFFAOYSA-N 371.334 3.658 30 40 FHEB CCOc1ccccc1-n1c(S[C@@H](C)C#N)nnc1-c1cccnc1 3346806 MVPIJJCNDTVGMP-ZDUSSCGKSA-N 351.435 3.732 30 40 FHEB C=CCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 95471616 VDJMXTQYVYDMMB-UHFFFAOYSA-N 369.808 3.885 30 40 FHEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)CCSc1ccccc1 48505153 ZSBUBWZKKUVGFY-UHFFFAOYSA-N 360.460 3.527 30 40 FHEB Clc1nc2cc3c(cc2cc1/C=N/Nc1nc2ccccc2[nH]1)OCO3 5460910 VMOYGMYAEYHKNL-DNTJNYDQSA-N 365.780 3.939 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1[N+](=O)[O-] 226817961 CMSMQQSFBYRQKE-KSSFIOAISA-N 355.346 3.507 30 40 FHEB COc1ccccc1N1CCC[C@H](O/N=C(\C)c2sc(C)nc2C)C1=O 584906942 UUMXFZOVDXEPDW-RSZPVBOMSA-N 373.478 3.705 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cc(C)c2C#N)c1C 5641986 QOSSEIDVOWHLEF-UHFFFAOYSA-N 371.462 3.667 30 40 FHEB Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(C)c1 33351221 HANCFBNCQGTTLO-QLBZYLJCSA-N 355.438 3.908 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 1063976 NOSNRUDHYCPMGV-GOSISDBHSA-N 370.405 3.514 30 40 FHEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2317810 HYQKBKSJTYTEBM-INIZCTEOSA-N 365.481 3.534 30 40 FHEB C=CCN(C(=O)[C@@H]1COc2ccccc2C1)c1nc2c(s1)CCCC2 12938275 BZNBUEIQWOIOLR-HNNXBMFYSA-N 354.475 3.792 30 40 FHEB COC(=O)c1ccc(OC(C)C)c(NCCOc2ccc(C#N)cc2)c1 63740942 FGYYSGKGFNDIHB-UHFFFAOYSA-N 354.406 3.623 30 40 FHEB Cc1cc(SCC(=O)N[C@H](C)C(C)C)n2c(nc3ccccc32)c1C#N 4269427 OKUWXJIIZVGOSF-CQSZACIVSA-N 366.490 3.920 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 6466247 MAJHSNBKLUMKGT-KGLIPLIRSA-N 362.385 3.621 30 40 FHEB Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4524553 JBVDZFMHIQMURC-UHFFFAOYSA-N 360.713 3.589 30 40 FHEB C=CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724215 USZLSODSBDZSBN-RBZFPXEDSA-N 355.821 3.579 30 40 FHEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21 19820169 ICTIGIRJZZGQLY-UHFFFAOYSA-N 371.462 3.706 30 40 FHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 8572275 VEFJZZYARZSOGN-CYBMUJFWSA-N 372.494 3.731 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2CCCC[C@H]21 40107295 RLYZSIDQVANDMK-QZTJIDSGSA-N 356.466 3.907 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2nccn2-c2cccc(F)c2)n1 26107272 CUPYAPVVROXPSJ-AWEZNQCLSA-N 372.450 3.745 30 40 FHEB N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1 16086328 NVPBZLFFNGNPTE-UHFFFAOYSA-N 352.415 3.542 30 40 FHEB N#Cc1c(Cl)nsc1NC1CCN(Cc2ccccc2F)CC1 52469390 UVDVMCPBDPVMLT-UHFFFAOYSA-N 350.850 3.884 30 40 FHEB COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1OC 833250 VDYWBPKDRUCFQH-UHFFFAOYSA-N 354.402 3.832 30 40 FHEB COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)cc1 6202365 MMRIWEAMDXLODW-IBGZPJMESA-N 352.459 3.994 30 40 FHEB COc1cc(/C=C/C(=O)NCc2cccc(Cl)c2)ccc1OCC#N 6640579 OHLMPUGHZZMZHL-SOFGYWHQSA-N 356.809 3.581 30 40 FHEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21 32094610 MPDZJWHFTCHYCE-NRFANRHFSA-N 364.449 3.757 30 40 FHEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccccc2F)o1 50679401 ZRTAJDZKXQJLFL-HNNXBMFYSA-N 354.381 3.857 30 40 FHEB CCOc1cc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408730143 FSPXPTSZGJYYRZ-FQEVSTJZSA-N 366.417 3.925 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)[nH]c2c1 3435469 OXFYLXZNDYGBEB-UHFFFAOYSA-N 372.837 3.827 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 4476388 ZYXRHOGCXSESSY-MRXNPFEDSA-N 373.424 3.705 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2n[nH]c3nc4ccccc4n23)c1C 6506516 GABGUJPCKSBOHU-UHFFFAOYSA-N 365.462 3.790 30 40 FHEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C/c1ccc2c(c1)OCO2 8642650 UEYDMVCNKZKFIZ-OVCLIPMQSA-N 358.806 3.960 30 40 FHEB Cc1nn(-c2ccccc2)c(CSc2nncn2-c2ccccc2)c1C#N 18240304 PEIJQVGVHLUTKR-UHFFFAOYSA-N 372.457 3.925 30 40 FHEB O=C(CNC(=O)c1ccccc1)Nc1cccc(C#Cc2cccs2)c1 24927303 RWQYFJRZSPBPGL-UHFFFAOYSA-N 360.438 3.516 30 40 FHEB CCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 100301599 DUQBDSVPGRJHKF-UHFFFAOYSA-N 357.491 3.518 30 40 FHEB COc1ccc(C(=O)/C=C/N2CCN(c3ccc(Cl)cc3)CC2)cc1 2385272 CLQYWBSHCHVSCU-ZHACJKMWSA-N 356.853 3.867 30 40 FHEB C[S@@](=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N 4060076 YYISMIRYLIQPGG-DEOSSOPVSA-N 352.337 3.567 30 40 FHEB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 5981205 KGJSSJIVUJHXHQ-NSHDSACASA-N 362.307 3.761 30 40 FHEB CC1=C[C@H](C)[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@@H](C)C1 8743547 NCQAORGGTQHOSV-WBYXTZAVSA-N 364.449 3.964 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)S2)cc1 12377999 DWTWJGGZXYBGHU-MRXNPFEDSA-N 353.447 3.551 30 40 FHEB C=CCNC(=O)NCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 12523210 QFPWHXPLFPVCQW-UHFFFAOYSA-N 353.466 3.885 30 40 FHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccccc3F)s2)C(=O)O1 102500434 QOFFQFORTBLQEZ-IWHGQQBYSA-N 356.374 3.782 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC 408558019 RNVWQJBTMBXPJT-UHFFFAOYSA-N 357.406 3.920 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(OC(F)F)cc1 1460555 MMEFKIBXRKWHSL-OAHLLOKOSA-N 360.364 3.538 30 40 FHEB COc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC 2424584 SPHBJUZJORINDQ-UHFFFAOYSA-N 353.353 3.982 30 40 FHEB COc1cc(/C=N/N=C/c2cc(Cl)c(O)c(OC)c2)cc(Cl)c1O 2762443 YBNCXZCXUZNAPZ-OKXCLTPOSA-N 369.204 3.875 30 40 FHEB COc1c2c(cc3c1[C@@H](C/C(CCC=C(C)C)=N/O)N(C)CC3)OCO2 4030013 ZWCOOCOWDXKMES-GXPOEHQZSA-N 360.454 3.920 30 40 FHEB biogenic C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(C#N)c1 8735004 ZIXLYRKLXKAYOV-JTQLQIEISA-N 355.448 3.524 30 40 FHEB N#Cc1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 13580069 QEJQEUCGELQSKT-ZDUSSCGKSA-N 354.431 3.696 30 40 FHEB C=CCOc1c(Br)cc(Br)cc1/C=C/C(=O)O 13747786 OVAVOFGOGSUNFT-ONEGZZNKSA-N 362.017 3.874 30 40 FHEB Cc1c(/N=C/c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 100511423 IGBVZLSWRKDHPA-UDWIEESQSA-N 370.250 3.998 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccccc2)C1=O 103139437 JQNXNXZBSJUPKS-IERDGZPVSA-N 373.497 3.535 30 40 FHEB C[C@]12C/C(=C\O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]3C/C(=C/O)C(=O)O[C@]3(C)CC[C@H]12 104052869 GVQAFQYHTSGAPN-PTXZXLSYSA-N 360.450 3.997 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072904 VLCVEQLZRJPEBF-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1OCC 408723873 XIVIETJCIIMFCM-WSDLNYQXSA-N 368.437 3.652 30 40 FHEB CCOc1ccccc1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O 408963833 DEAZDXPDIZJJHC-SFQUDFHCSA-N 354.431 3.986 30 40 FHEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])o2)cc1 409108635 XUUKHTKSDTUDCU-ZDLGFXPLSA-N 353.294 3.604 30 40 FHEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2cccc(Cl)c2)c1=O 1397529 JJNHQUBLLKVZIM-UHFFFAOYSA-N 351.855 3.527 30 40 FHEB FC(F)c1nnc(S)n1/N=C/c1cccc(OC(F)(F)C(F)F)c1 2790098 JUNOHYUZYGIIOV-PTXOJBNSSA-N 370.278 3.623 30 40 FHEB COc1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1OC 6790547 NOPRLXWNAGLPFP-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB Cn1ccnc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 9467782 LNCHTARQOIOCNE-QGZVFWFLSA-N 351.341 3.541 30 40 FHEB CC(=O)/C(=N/Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 13601779 SGTACRLDUFNAOS-QNGOZBTKSA-N 350.205 3.989 30 40 FHEB CC(=O)Nc1ccccc1SCC(=O)Nc1cc(Cl)ccc1C#N 14152480 AWSTWLOMUAKGDK-UHFFFAOYSA-N 359.838 3.901 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](/C(O)=N/c3ncn[nH]3)[C@@H]2c2cccs2)cc1 23141090 AFJHKUXJNWUGHS-XJKSGUPXSA-N 367.434 3.557 30 40 FHEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCCc1ccccc1 29934092 LYKBIIBWTKNBPZ-UHFFFAOYSA-N 360.482 3.919 30 40 FHEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1O 37390765 LYPCCMQQLUFDHG-CNHKJKLMSA-N 370.192 3.740 30 40 FHEB Cn1cc(CCC(=O)OCC#Cc2ccc(Oc3ccccc3)cc2)cn1 95979716 GHVHLRFSWRGONP-UHFFFAOYSA-N 360.413 3.740 30 40 FHEB N#CCC(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254710 RWELQCVMTGTDTA-OQLLNIDSSA-N 360.439 3.813 30 40 FHEB COc1cccc(C2(NC(=O)NCc3ccc(C#N)c(F)c3)CCC2)c1 596620158 ZOTKPWUOVYOWSN-UHFFFAOYSA-N 353.397 3.585 30 40 FHEB CCCCOC(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 6401137 NEAJELNWPGNTNK-UHFFFAOYSA-N 352.390 3.533 30 40 FHEB CCCCCCCCCCCC(=O)[C@H]1C(=O)CC[C@@H](C(=O)OC)C1=O 100740752 NNENEEZZPNGAFR-QAPCUYQASA-N 352.471 3.814 30 40 FHEB biogenic COc1ccc([C@H](C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1OC 2124052 MFEONICBEYWTEG-HNNXBMFYSA-N 357.406 3.579 30 40 FHEB biogenic C=CCn1c(C)cc(C(=O)CO/N=C/C(=O)Nc2cccc(C)c2C)c1C 3398881 GVUMVYDEDGLHRO-WSDLNYQXSA-N 367.449 3.732 30 40 FHEB Cc1ccc(/C(N)=N\OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 65522659 PGZIDXFMURVMKW-INIZCTEOSA-N 361.445 3.663 30 40 FHEB CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409356824 HNRLOMUFDBXJBU-LBPRGKRZSA-N 371.824 3.815 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 408731290 LOEJCNLWNZBOJC-SFHVURJKSA-N 351.362 3.729 30 40 FHEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OC 137844835 SXJWYCUYPLGSKS-WDLRCHCKSA-N 360.460 3.968 30 40 FHEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1ccccc1CC)C2 96229949 NQEKWZSOMPDNII-NRFANRHFSA-N 355.482 3.814 30 40 FHEB Cn1cnnc1CC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1660241878 OCUKRPRUXYPQCL-UHFFFAOYSA-N 371.488 3.808 30 40 FHEB C=C(C)[C@H]1CCC2=C[C@H](C[C@@]3(C)O[C@H]3c3cc(C(=O)OC)c(o3)C1)OC2=O 5158397 PPHCYWKQJLNLQQ-OVQDYUAZSA-N 372.417 3.667 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2ccccc2Cl)sc2c1CCCC2 5692168 DTAKCQHYNKCWIA-UHFFFAOYSA-N 374.849 3.947 30 40 FHEB CCc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165154 LLANKAMJSZIZFB-FOIQADDNSA-N 360.417 3.849 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(F)ccc21 100874427 BTOKPHSNPSANOU-VZCXRCSSSA-N 370.405 3.540 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc2c(c1)OCO2 6763778 PQFVBFOLDZHDGD-IBGZPJMESA-N 350.374 3.549 30 40 FHEB C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 6856388 HMQCQDSLWURXTR-UHFFFAOYSA-N 373.819 3.843 30 40 FHEB N#CCSc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 7866812 ISNBDIDZXPHEGL-UHFFFAOYSA-N 373.821 3.502 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 22323094 MJNBQJMNLLTFJT-QKIXXSFTSA-N 353.422 3.721 30 40 FHEB C=CCn1c(S[C@@H](C)c2nc(C)no2)nc2sc(C)c(C)c2c1=O 36392758 YMHAEDDGJBFBNX-JTQLQIEISA-N 362.480 3.806 30 40 FHEB COc1ccccc1NC(=S)NN=C1CCN(Cc2ccccc2)CC1 58654934 DQCYTHYXNNSZSL-UHFFFAOYSA-N 368.506 3.634 30 40 FHEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1cccc(CC)c1)C2 96229950 RCXBOLUTWQKTMT-OAQYLSRUSA-N 355.482 3.814 30 40 FHEB CC1=C/C(=N\N=C\c2ccccc2)C=C/C1=N/S(=O)(=O)c1ccccc1 101539021 FZKFONKCDMWTRC-GBPBNYLMSA-N 363.442 3.808 30 40 FHEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 103807668 ZEWUYNOYYXDWTO-PWGGDHKKSA-N 373.518 3.880 30 40 FHEB CCCCCCCCCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731404 WFWJFNQMSQIIEC-LQBOVUBWSA-N 372.509 3.963 30 40 FHEB biogenic CCN(Cc1ccccc1)[C@H](c1cccc(C#N)c1)c1nnnn1C(C)(C)C 26438805 KZXCSFVNVIGEKX-HXUWFJFHSA-N 374.492 3.911 30 40 FHEB N#Cc1ccccc1NC(=S)N1CCC([C@@H](O)c2ccccc2)CC1 44103078 ZRWPBWQUBPIGLZ-IBGZPJMESA-N 351.475 3.701 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 44902065 GBXKWBHYGKOQON-UHFFFAOYSA-N 358.438 3.613 30 40 FHEB C[C@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 107445300 YJRVMIDXXXLGRA-IGSCPHMESA-N 366.408 3.579 30 40 FHEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)c1 223748820 ZDWKLZSWCYOBBA-JWGURIENSA-N 359.401 3.551 30 40 FHEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1C 408804237 DPDJOLOGWSIYKW-DHJMFLCTSA-N 366.461 3.728 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Cl 408929846 OVGLGYFZPRTNAT-NOMCZCQPSA-N 355.246 3.537 30 40 FHEB CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccccc2)cc1 408976150 PRTCMCABEOFMES-XMHGGMMESA-N 363.413 3.963 30 40 FHEB CCc1cc(Br)c2c(c1)N[C@]1(C=C(C)OC(O)=C1C(C)=O)O2 100489959 XLFJCPPRDUFRRG-MRXNPFEDSA-N 366.211 3.805 30 40 FHEB N#Cc1ccccc1NC(=S)N1CCC([C@H](O)c2ccccc2)CC1 44103082 ZRWPBWQUBPIGLZ-LJQANCHMSA-N 351.475 3.701 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)c(C)c1 101418607 GYVGVYOTLIRMBI-RQZCQDPDSA-N 352.415 3.924 30 40 FHEB C=CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC 108245137 CYGDFVVTDXSBLS-MTJSOVHGSA-N 374.824 3.903 30 40 FHEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 5129369 VPTOLZREMUECPH-FNORWQNLSA-N 373.361 3.525 30 40 FHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 7709650 ZSIXFARIAMJASK-UHFFFAOYSA-N 363.460 3.537 30 40 FHEB Cc1noc(C)c1CNc1oc(-c2ccc(Br)o2)nc1C#N 61997198 IVNOGOASWFMWHX-UHFFFAOYSA-N 363.171 3.786 30 40 FHEB C/N=C1/S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1C 408853520 UWFXMZZZBYKWOE-BBNBJWFKSA-N 356.422 3.937 30 40 FHEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 408753128 LOHYQYMVCYZVLD-RYRKJORJSA-N 361.357 3.991 30 40 FHEB CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(C(=O)O)cc1 97466810 GPLCMLXYYMNWKL-NIPZQEADSA-N 368.414 3.714 30 40 FHEB C=C(C)COc1ccccc1CN1CCC(O)(c2cccnc2F)CC1 12186095 GECSJHJHDUQDSQ-UHFFFAOYSA-N 356.441 3.659 30 40 FHEB CC#CCSc1nc2c(C)cc(Cl)cc2c(=O)n1C[C@@H]1CCCO1 1775968421 NKLYEXJPGSXHEL-AWEZNQCLSA-N 362.882 3.653 30 40 FHEB COc1cc(C(=O)/C(C)=C(/C)C(=O)c2ccc(O)c(OC)c2)ccc1O 103291148 ZTNYRNGTBAGYIZ-QXMHVHEDSA-N 356.374 3.517 30 40 FHEB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccco1 4919907 MIAKANQSXNUVFG-QRWLVFNGSA-N 370.401 3.616 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3ccc(Br)cc3)cc2N1 5109449 CJKSYIGKTVNKJB-XVNBXDOJSA-N 358.191 3.676 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 39989297 CFWOGOFZPXNBRQ-NSHDSACASA-N 353.444 3.751 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 40069593 QJWNXQHRMKLHSN-UHFFFAOYSA-N 367.373 3.500 30 40 FHEB C=CCO[C@H](C)C(=O)Nc1nc(-c2ccc([C@H](C)NC(C)=O)cc2)cs1 58218495 GBYYLEGWFURSOB-QWHCGFSZSA-N 373.478 3.537 30 40 FHEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899014 KEKYGZNDYMVZSG-UHFFFAOYSA-N 372.490 3.952 30 40 FHEB Cc1c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc2n1C(C)C 409351317 TVVBYVUYPSLWKC-UHFFFAOYSA-N 360.417 3.828 30 40 FHEB C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)[C@@H]1OCCc2sccc21 584515829 PBLUIHOZFXKNEJ-DJJJIMSYSA-N 352.459 3.849 30 40 FHEB N#Cc1ccnc(Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)c1 585295232 QVWFKETVZRUGPE-QGZVFWFLSA-N 362.462 3.885 30 40 FHEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 684813758 ZQWSUQKQDOTTCE-MNEFBYGVSA-N 368.481 3.699 30 40 FHEB COC(=O)[C@@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 4839299 NXFNMFQEHPUXLW-DLBZAZTESA-N 358.781 3.772 30 40 FHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc(F)cc1 3199694 CIAJSGNLYPKZRO-KRWDZBQOSA-N 358.438 3.845 30 40 FHEB CC(C)(C)c1csc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 25282536 LSEURGMIVUZCAJ-UHFFFAOYSA-N 369.494 3.562 30 40 FHEB OC(/C=C\CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F 104206574 VAKDPITXIDWRMQ-UPHRSURJSA-N 374.121 3.644 30 40 FHEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 18277078 GKSZUOGXZJGUPB-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB Clc1ccc(CO/N=C/Cc2nc(-c3cccnc3)n[nH]2)c(Cl)c1 5945155 OYBNNMDMQQJUAW-IFRROFPPSA-N 362.220 3.919 30 40 FHEB COc1ccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1Cl 2190205 PZVHPILFGDMDIL-FRKPEAEDSA-N 351.702 3.621 30 40 FHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1cccs1 6720029 FGGSSOSKJPCBDS-RHSMWYFYSA-N 369.442 3.505 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 102233817 LMIIDBUTDNKZTA-SYWGBEHUSA-N 370.474 3.740 30 40 FHEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1cccs1 974345 IPFSJOZBWTZJFN-QGZVFWFLSA-N 362.410 3.926 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2sccc2c1=O 36800675 QCEWDSFPRDIZPQ-GFCCVEGCSA-N 371.487 3.763 30 40 FHEB N#C[C@@H]1C(=O)NC(=O)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 28465179 FEHVOEHVPWXOMC-GDBMZVCRSA-N 365.458 3.640 30 40 FHEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027230 YVEXKOLTDDJUNU-ZLFOXAAKSA-N 357.494 3.522 30 40 FHEB biogenic CN1C(=O)N[C@@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O 4387417 UXNIXNGJGZCGDQ-HNNXBMFYSA-N 363.255 3.788 30 40 FHEB C=CCSc1nnc(NC(=O)c2oc3ccccc3c2COC)s1 7594270 IVBLLCPLEQJTEB-UHFFFAOYSA-N 361.448 3.961 30 40 FHEB N/C(=N\C[C@H]1CCCO1)SCc1cc(=O)oc2ccc3ccccc3c12 7665458 KMQBQLLDLGDGSE-OAHLLOKOSA-N 368.458 3.673 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(OC)c2OC)c1C 8321383 RSGHNHYSJNBJIO-ZHACJKMWSA-N 357.406 3.722 30 40 FHEB CC(C)(C)n1cc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 594684982 SGKZXUJEUWPQCM-UHFFFAOYSA-N 371.384 3.502 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Br)c([N+](=O)[O-])c1 5005826 VJCPYQYHMZDPON-OVCLIPMQSA-N 365.143 3.712 30 40 FHEB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2c1CCCC2 14152338 LJYKMBUEQRQGNY-UHFFFAOYSA-N 372.881 3.920 30 40 FHEB CC1(/N=C/c2cc(Cl)ccc2O)COP(=O)(NC2CCCC2)OC1 18058443 IPGHKJZVQFQHKF-GIJQJNRQSA-N 372.789 3.910 30 40 FHEB CCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1OCC 5576340 ARXLQDBAYKMSFX-UDWIEESQSA-N 361.442 3.944 30 40 FHEB Cc1ccc(C)c([C@@H]2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)c1 5244200 PJOBYKGQRBCXOA-OAHLLOKOSA-N 362.355 3.936 30 40 FHEB C=CCn1c(SCc2noc(C3CC3)n2)nnc1-c1ccc(OC)cc1 52889342 QBEZLHFBTPRXLP-UHFFFAOYSA-N 369.450 3.692 30 40 FHEB O=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)cc2[nH]1 1060303 MGGCCTVDBCWBRB-UBKPWBPPSA-N 351.149 3.822 30 40 FHEB O=c1[nH]c2ccc(/N=C/c3cc(Br)cc(Cl)c3O)cc2[nH]1 1509421 UQOTVBPRXICFQU-UBKPWBPPSA-N 366.602 3.728 30 40 FHEB CCC(=O)Nc1ccc(/C(C)=N/Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 4519759 DLAIYORMTZNOFR-CIAFOILYSA-N 351.366 3.651 30 40 FHEB Cc1sc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C#N)c1C 4554542 WGWCYWQQZATWPZ-UHFFFAOYSA-N 374.447 3.580 30 40 FHEB COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccccc1 4936529 PPEZDBPTJBHWJX-WWUDWGLGSA-N 353.447 3.549 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 5079606 VKAUMUPYPFJKLR-VMEIHUARSA-N 365.429 3.859 30 40 FHEB O=C(O)c1nc(Cl)c(Cl)c(/N=C/c2ccc(O)cc2O)c1Cl 5568245 RGJYKDIZPMUTCB-HAVNEIBRSA-N 361.568 3.902 30 40 FHEB Cc1cc(Br)c(O)c(/C=N/c2ccc(NC(N)=S)cc2)c1 6275706 GNQHJRXEPCQWFG-QGMBQPNBSA-N 364.268 3.869 30 40 FHEB COC(=O)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=O)OC)o3)C2=O)o1 96188175 JYAYOMFSUSSGAP-DCIPZJNNSA-N 370.357 3.666 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101081377 SZUXHYIDXWMGHZ-YHWAXJLUSA-N 371.300 3.540 30 40 FHEB O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102858452 DMUGFGUHBBXARI-IBOXJLQUSA-N 362.410 3.769 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 225778895 CJLHRKRBEYKABL-UHFFFAOYSA-N 370.836 3.907 30 40 FHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 408588879 KJCPPUWEQMAVOS-CWVCIXNSSA-N 373.456 3.544 30 40 FHEB CCOC(=O)c1[nH]c2ccc(Br)cc2c1/N=C(\C)N(C)C 4578186 KOZMFWPECLBZDS-RQZCQDPDSA-N 352.232 3.719 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(OC(C)=O)c3C)C2=O)c(OC)c1 12877673 CQRPIVFOXJWOIR-NVMNQCDNSA-N 354.358 3.554 30 40 FHEB biogenic O=C(/C=C\N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)c(Cl)c1 16478661 KALJBRLAFRTEMZ-HLRDLLSLSA-N 364.228 3.975 30 40 FHEB Cc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/c3ccccc3)S2)cc1C 17159763 JNAJAEHSVDGVRL-MRXNPFEDSA-N 353.447 3.551 30 40 FHEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCC(C)C)c(=O)oc2c1 62001366 FIDFFKJIWGDHNI-UHFFFAOYSA-N 357.450 3.761 30 40 FHEB biogenic O=[N+]([O-])c1cccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1 98064189 UBYGSTJSVWMVEN-CHHVJCJISA-N 366.127 3.722 30 40 FHEB COc1ccc(C2(CNC(=O)c3ccc(N=[N+]=[N-])nc3)CCOCC2)cc1 108512502 BRFWLLYDPGIISE-UHFFFAOYSA-N 367.409 3.510 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2C)cc1 225887366 QMBSGNIFUXIETD-UHFFFAOYSA-N 361.401 3.878 30 40 FHEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 4083644 QXTWZEGENLVVRE-KOORYGTMSA-N 368.473 3.961 30 40 FHEB biogenic C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 4164395 VVMRWJLHBNPAOU-UHFFFAOYSA-N 368.487 3.990 30 40 FHEB Cc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)ccc1O 4416658 IKLYHQJUIQNDDK-UHFFFAOYSA-N 371.028 3.913 30 40 FHEB O=C(O)/C(=N/c1ccccc1C(=O)NCc1ccccc1)c1ccccc1 4727633 VHNXBORBYSLEKG-HIXSDJFHSA-N 358.397 3.822 30 40 FHEB Clc1ccc(N/N=C/c2c[nH]c3ccc(Br)cc23)nn1 4935123 TXPWOAWHUVSLAO-REZTVBANSA-N 350.607 3.820 30 40 FHEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 5559405 PGBGBDYXNADIHM-GFCCVEGCSA-N 359.223 3.577 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C[C@H](C)CC(C)(C)C2)nc1 5701599 CZPZTCSFVIPQNW-HGVMIPIXSA-N 366.531 3.726 30 40 FHEB O=C1CC[C@@]2(CCN1Cc1ccccc1)C/C(=N\O)c1ccccc1O2 13568869 HWKUWNOLQGULTD-YUIBMZAKSA-N 350.418 3.599 30 40 FHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccco1 18192991 ZBOWLFYYHHLFEU-KJADNVALSA-N 368.392 3.506 30 40 FHEB COc1cccc(-c2nc3cc(-c4cccc(C)c4)nn3c(N)c2C#N)c1 19797073 ODEWIPYHOZCXGE-UHFFFAOYSA-N 355.401 3.834 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 24050782 HBXIHMLVIXTNJZ-LBPRGKRZSA-N 371.510 3.566 30 40 FHEB COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)c(OC)c1 27229305 DVIJAEMYFCVTIX-LICLKQGHSA-N 354.431 3.904 30 40 FHEB C=CCc1cc(/C=N/c2ccc(C#N)cc2)cc(OC)c1OCC(=O)O 59679132 HCTIYIWUFKNNES-WSDLNYQXSA-N 350.374 3.509 30 40 FHEB CCSc1ccccc1C(=O)NCC#CCN1CCc2ccccc2C1 75165019 RAGOKGMBLJMRPR-UHFFFAOYSA-N 364.514 3.590 30 40 FHEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 408621002 KXLIYLHJMKFVMM-UHFFFAOYSA-N 371.487 3.552 30 40 FHEB C[C@H](c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 12898421 OZAFSOLWGPAMLX-CQSZACIVSA-N 366.396 3.829 30 40 FHEB CC#CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(OC)c(C)c1 11716998 JBFWSJNVCXDGDR-HSZRJFAPSA-N 358.441 3.982 30 40 FHEB C=C(C)Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCCC3 13726758 GPCJOEXZBPSTAL-UHFFFAOYSA-N 366.446 3.821 30 40 FHEB CCCCCCCCCCCCCC[C@@H](O)C[N+](C)(CCO)CCO 66166054 FUJQMAPXIBDMMZ-OAQYLSRUSA-N 360.603 3.870 30 40 FHEB CCC(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl 5241663 GHETYDIMCRQHPL-GFCCVEGCSA-N 366.701 3.743 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC2CCCCCCC2)cc1 14397061 RLQLJAMUUHFWRN-HZHRSRAPSA-N 359.470 3.615 30 40 FHEB N#Cc1ccccc1CSCCNC(=O)Cc1c(F)cccc1Cl 7649011 FAZWZGLSMWHQIO-UHFFFAOYSA-N 362.857 3.943 30 40 FHEB CN/C(=N\c1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 18082071 QRSWRPSCUKYKAC-OAHLLOKOSA-N 373.865 3.612 30 40 FHEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 409372945 OELPOYAEFHGJHK-LPYMAVHISA-N 350.491 3.816 30 40 FHEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OC 34743882 SXJWYCUYPLGSKS-CQCSDLFSSA-N 360.460 3.968 30 40 FHEB COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O 97964068 PKNXGFKNGSFIRZ-SRZZPIQSSA-N 371.824 3.603 30 40 FHEB N#C[C@@H]1CCCC[C@@H]1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 598097874 VIOBJVWQAMXCQA-NHYWBVRUSA-N 365.246 3.818 30 40 FHEB CN(C)N1C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O 1422735 HMMCWTZFPXAWLO-ZDUSSCGKSA-N 352.356 3.505 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 5425198 UOFOKSALTPLFTD-KZULUSFZSA-N 366.808 3.940 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 101662191 DCHYEZSKRGMUSB-OAQYLSRUSA-N 373.497 3.913 30 40 FHEB CC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C(C)(C)N1 894740 PYUDFYXTGKWWBC-UHFFFAOYSA-N 353.491 3.960 30 40 FHEB C/C(=N/OCC(=O)Nc1ccc(Br)cc1)c1cccs1 972590 JGVRJLLEWGOITA-YVLHZVERSA-N 353.241 3.890 30 40 FHEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)C3CC3)ccc21 1852839 XMHSSKMTLAWHAX-MFOYZWKCSA-N 351.314 3.526 30 40 FHEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)[C@]2(O)C(F)(F)F 2349041 ZHXQVNCDKHMMON-INIZCTEOSA-N 373.758 3.623 30 40 FHEB CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1 2624710 CDBNBJUUIFAKTR-UHFFFAOYSA-N 367.474 3.992 30 40 FHEB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3C#N)csc2C1 2636640 UUMQKHJPKFUKLG-LBPRGKRZSA-N 354.431 3.540 30 40 FHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccco1 4304443 ZBOWLFYYHHLFEU-HMIUDANVSA-N 368.392 3.506 30 40 FHEB Cc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3O)CC2=O)Nc2ncnn21 5203481 ZWGVPVOHXHALJI-SPLOXXLWSA-N 372.428 3.708 30 40 FHEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)cc1 54333083 LASKRHJXAIXJIF-OCKHKDLRSA-N 363.413 3.934 30 40 FHEB biogenic O=C(/C=N/OCc1coc(-c2cccs2)n1)Nc1ccc(F)cc1F 58404318 BVBPGOLERIHPLZ-FBCYGCLPSA-N 363.345 3.822 30 40 FHEB C#CCOC(=O)c1ccc2nc(-c3cncc(Br)c3)sc2c1 73635251 WLQHWMSEBQOOCQ-UHFFFAOYSA-N 373.231 3.911 30 40 FHEB CN1/C(=C/C=N/C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[C@@H]2C=CC=C[C@H]21 101843534 IJRRUYMZNVYBEO-HQBRCBRJSA-N 367.449 3.665 30 40 FHEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225004692 RWGJJLDLTLLNIN-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccccc3)CC1)O2 225823722 RUXMHOLUUVKNOA-UHFFFAOYSA-N 361.401 3.590 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2c(C)cccc2CC)cc1)S(C)(=O)=O 409409543 HUTKUDBFEKIFQZ-UHFFFAOYSA-N 372.490 3.762 30 40 FHEB COc1ccc(NC(=O)[C@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cn1 61720508 ZIJGLOWYWFJCDV-NSHDSACASA-N 354.797 3.546 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)o2)c1C 9722475 ZYFKRSMWXMRJFH-UHFFFAOYSA-N 354.435 3.711 30 40 FHEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 18276100 YKXKZOBSRMVIIE-CQSZACIVSA-N 359.838 3.588 30 40 FHEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409126287 FFQUGAIRXKHVJA-LCYFTJDESA-N 373.752 3.587 30 40 FHEB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(CC#N)cc2)n1 225828626 SVSDMDPHZSUDRD-UHFFFAOYSA-N 363.446 3.598 30 40 FHEB CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1Cl 223010072 YVNRNJFAMQPOGU-UHFFFAOYSA-N 350.827 3.606 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1c(Cl)nc3sccn13)C2 95472557 CLPFWIDBPXKVDZ-POHAHGRESA-N 360.822 3.889 30 40 FHEB O=C1CC2(CCCCC2)CC(=O)C1=CNc1ccccc1N1CCOCC1 103840661 LQMZQSZGOVASAX-UHFFFAOYSA-N 368.477 3.702 30 40 FHEB CC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5087256 QJQKWAZVULWTGU-CQSZACIVSA-N 360.421 3.535 30 40 FHEB COc1ccc(/N=C/c2ccc(Sc3nnc[nH]3)c([N+](=O)[O-])c2)cc1 6441456 KEQFXZULJBZDPU-RQZCQDPDSA-N 355.379 3.623 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cccs3)C(C)C)cc2C1=O 7120994 UDCVPOVZISMOJN-KRWDZBQOSA-N 368.458 3.657 30 40 FHEB N#Cc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cn1 2298066423 IWBQIJQGUKCOJG-UHFFFAOYSA-N 363.339 3.900 30 40 FHEB O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 96793951 GNIURVKIGJJOQX-INIZCTEOSA-N 359.721 3.541 30 40 FHEB CCc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccc(C)cc3)N2)cc1 1461582 RFZNGLTVXIFNOS-KRWDZBQOSA-N 350.422 3.502 30 40 FHEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC)CC 2303076 WJBOQQZSUGHHEO-INIZCTEOSA-N 367.497 3.780 30 40 FHEB CC1(C)CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1 4028601 FNZNQMPYMHYTSI-YVJBSZDSSA-N 361.526 3.635 30 40 FHEB biogenic CC(C)CNc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 7249969 BYCRDWBJPHDVGU-LLVKDONJSA-N 361.496 3.597 30 40 FHEB Cc1ccccc1-n1ccnc1SCC(=O)Nc1sccc1C#N 12530847 VYBXTCPQISJHRU-UHFFFAOYSA-N 354.460 3.845 30 40 FHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2c1=O 12609876 YXDDMKPSFFNSSH-UHFFFAOYSA-N 369.421 3.945 30 40 FHEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl 14408392 JTBMMMXBUMFWHF-AWEZNQCLSA-N 368.868 3.700 30 40 FHEB CO/N=C(/CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 20389765 KWDYYFNITLLAEM-QOCHGBHMSA-N 361.848 3.652 30 40 FHEB N#Cc1cccc(NC(=O)COC(=O)c2cc(Cl)sc2Cl)c1 21630714 BEAGLIZDSOOZBF-UHFFFAOYSA-N 355.202 3.722 30 40 FHEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 23295486 PXQLSIWVCBMQTK-GFCCVEGCSA-N 371.491 3.707 30 40 FHEB O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@H]2CCc3ccccc32)ccc1Cl 35332205 QPWSYABODAIXIT-HNIBHBHRSA-N 374.853 3.734 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(Cl)s2)CC1 46995764 NCDQWQFENJMLJP-UHFFFAOYSA-N 374.897 3.695 30 40 FHEB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 58324871 KTIQUYGROAWTCR-UHFFFAOYSA-N 374.838 3.552 30 40 FHEB CC(=O)c1cccc(OCC(=O)Nc2ccccc2SCCC#N)c1 95953536 QGJOHLFSKMROSU-UHFFFAOYSA-N 354.431 3.912 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 101247312 JSBWVMUJAILXKK-GHNGSUTGSA-N 351.377 3.742 30 40 FHEB N#C[C@@H](C(=O)NCCc1ccccc1)C(=O)c1cc2cc(Cl)ccc2o1 103504318 KVRJNESYJASARH-MRXNPFEDSA-N 366.804 3.768 30 40 FHEB CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21 112264158 DOVSJEXORMUUSC-FKYDJDFASA-N 361.445 3.501 30 40 FHEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837588 PKFZWLYYYGTIBC-MRXNPFEDSA-N 370.880 3.602 30 40 FHEB Cc1ncc(N=C(O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)s1 328979459 RBCUPNXERGDNBV-WMLDXEAASA-N 356.451 3.577 30 40 FHEB COc1ccc(N/C=C2/C(=O)c3ccccc3O[C@@]2(O)C(F)(F)F)cc1 9060756 LABLDYRDMJRUTP-OOXMNIKJSA-N 365.307 3.517 30 40 FHEB C#CCOC(=O)c1ccccc1C(=O)OCCCC(F)(F)C(F)(F)F 2275248 QYLHJOPBSXVKPF-UHFFFAOYSA-N 364.266 3.611 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1Br 100005529 PERJGGYQKUEGTB-XDJHFCHBSA-N 357.211 3.640 30 40 FHEB CCOc1ccc(/C=N/OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 5405911 GTHGCISDPKURMM-YRXLECQKSA-N 352.434 3.630 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(C3CCCCC3)o2)n1 7931135 PIHYGMKRGXZPEX-LBPRGKRZSA-N 362.480 3.851 30 40 FHEB O=[N+]([O-])c1ccc2c(c1)/C(=N\Nc1ncc(Cl)cc1Cl)C(O)=N2 8379821 SLPXIKOSKXIJFW-UHFFFAOYSA-N 352.137 3.714 30 40 FHEB CCCCCCCCS(=O)(=O)c1nnc(-c2ccc(OC)cc2)o1 95686748 XWUCZFQCEXJBEO-UHFFFAOYSA-N 352.456 3.879 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C)c(Br)c1 100507699 HMFAFBMMTBUUCH-SILNSSARSA-N 371.238 3.948 30 40 FHEB Cc1cc(C)nc(N2NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)n1 8558906 GTPYARRUJIXUTF-GOSISDBHSA-N 354.841 3.820 30 40 FHEB C=C(C)C(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)C(=C)C)c1 3168052 NTBIJIRLFRQDKI-UHFFFAOYSA-N 360.307 3.953 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)no1 13127651 SXZJKCLGIIVLHL-MRXNPFEDSA-N 366.398 3.827 30 40 FHEB C#CCN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 13942579 DJPSZVIMTVHSEW-BOPFTXTBSA-N 353.399 3.527 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccc([N+](=O)[O-])o2)cc1 7079010 ZKPAFNMNDPNMNH-DCRIRWBVSA-N 355.379 3.591 30 40 FHEB N#CCCSc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 95953566 INVPSLNQOZUHQW-CQSZACIVSA-N 369.421 3.896 30 40 FHEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc(Br)cc2)c1O 36046210 FCOCMUCTNZBWBH-LZYBPNLTSA-N 366.171 3.518 30 40 FHEB N#C[C@H](NC(=O)CCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 505937198 DKBAOFVQKFJMPL-INIZCTEOSA-N 366.314 3.994 30 40 FHEB N#Cc1c(O)nc(SCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 95471976 ATFNMPJJDAVFOK-UHFFFAOYSA-N 364.386 3.921 30 40 FHEB CC(=O)O[C@@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 257349145 LTUDQVYYMMOMDZ-CZLQCDLFSA-N 374.477 3.602 30 40 FHEB CC1(C)OB([C@H]2CCN(C(=O)Cc3ccc4ncsc4c3)C2)OC1(C)C 1776007563 LTSXPKRMYZSLIG-AWEZNQCLSA-N 372.299 3.534 30 40 FHEB CCOC(=O)c1ccc(N/C(S)=N/C(=O)[C@@H](C)Oc2ccccc2)cc1 5499812 NIKAXEIRNKZTHS-CYBMUJFWSA-N 372.446 3.555 30 40 FHEB CCOC(=O)C(=O)/C(=N/Nc1cccc(Cl)c1)Sc1ccccc1 2567068 OVAHFLCROHTCQH-SILNSSARSA-N 362.838 3.990 30 40 FHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 1052102 TYINMNODWKHVTF-MRXNPFEDSA-N 355.434 3.566 30 40 FHEB C=CCOc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)c1 20736057 PYDBUSGZMDQREC-INIZCTEOSA-N 361.405 3.659 30 40 FHEB CCOC(=O)CC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250948 LNWHENDVEFDBSB-UHFFFAOYSA-N 374.849 3.888 30 40 FHEB COc1ccc([C@@H]2NC(=O)N(C)C=C2C(=O)/C=C/c2ccc(C)cc2)cc1 12407677 BSKJQLBIFMYDKB-LNYGYFNRSA-N 362.429 3.866 30 40 FHEB CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)F)cc1 25221118 MJNKXUONXMRRKW-UHFFFAOYSA-N 365.405 3.682 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 104594216 XNHADTYHXKWWHB-VDWFFLBBSA-N 366.804 3.741 30 40 FHEB C=C(C)COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12904081 XJJWDOJFNCJDEG-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C 6046319 FDFHTUWWMZKHBH-UHFFFAOYSA-N 355.463 3.971 30 40 FHEB Cc1ccc(C(=O)C/C(=N/Nc2nc(C(=O)O)cs2)C(F)(F)F)cc1 4478114 ZCONXBGUWCIJIT-NDENLUEZSA-N 371.340 3.753 30 40 FHEB COCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N\c1ccccc1 4696361 WPUHOCMHUOPLIV-PTPABZONSA-N 368.458 3.946 30 40 FHEB CN1/C(=C\C(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21 18099309 YNQIECKETQXEHX-UNOMPAQXSA-N 352.390 3.854 30 40 FHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 408619307 LPIXXGVXCPHIRX-UHFFFAOYSA-N 374.281 3.876 30 40 FHEB CCOC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 95953656 CADRJRSYPBXBGQ-OAHLLOKOSA-N 361.511 3.520 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/OCc1ccccc1C#N 408594609 IUDWUSITLZAVSA-OEAKJJBVSA-N 365.433 3.726 30 40 FHEB CC1(C)OB(c2scc(Br)c2Br)OC1(C)C 642814699 RUWLVVJDJCPLAQ-UHFFFAOYSA-N 367.899 3.572 30 40 FHEB COc1nscc1CN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 1304118861 SIZOVTPQIYBUNF-UHFFFAOYSA-N 356.234 3.602 30 40 FHEB Cc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2Cl)cc1 5753646 AKHIBKJPUYIXKN-DJKKODMXSA-N 361.236 3.918 30 40 FHEB CC1(C)N=C(N)N=C(N)N1c1cccc([C@H](C#N)CCCc2ccccc2)c1 17039860 WNCKKNJQXNBPKU-SFHVURJKSA-N 374.492 3.502 30 40 FHEB CC(=O)Oc1cccc(/C=C/C(=O)/C=C/c2cccc(OC(C)=O)c2)c1 1681935 OJPWFWOOPYXQFI-WGDLNXRISA-N 350.370 3.833 30 40 FHEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccc(C)cc2C)cc1 2353372 AEXBBHWDOSYSFB-KYPJYIKXSA-N 367.474 3.778 30 40 FHEB N#Cc1ccc(CS(=O)(=O)/N=C(O)/C=C/c2cccc(Cl)c2)cc1 40129879 QNRFUIVYKMQIFI-CMDGGOBGSA-N 360.822 3.711 30 40 FHEB COc1ccc(OCc2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1 730239 UAGWJFYIDURWRQ-UHFFFAOYSA-N 353.353 3.885 30 40 FHEB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 4332774 WHCOCQYMLVKUHT-OAHLLOKOSA-N 366.417 3.777 30 40 FHEB N#Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 4479516 MWEKFIOBJYIWNQ-UHFFFAOYSA-N 369.178 3.623 30 40 FHEB COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccc(Cl)cc1 5505260 SYIHSJNRNLSMPT-FYJGNVAPSA-N 360.841 3.594 30 40 FHEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1 6886731 DURIGRZGIRXWDO-RCCKNPSSSA-N 368.458 3.941 30 40 FHEB CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 7951156 HHSKIKOHGRYYFQ-VCHYOVAHSA-N 373.261 3.705 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(Br)cc1 8488807 UPACDLMNKGCHTA-NSHDSACASA-N 360.207 3.980 30 40 FHEB C=CCn1c(N2CCC(C(=O)Nc3nccs3)CC2)nc2ccccc21 12219405 MZUHULALJZIIAV-UHFFFAOYSA-N 367.478 3.534 30 40 FHEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 13653686 AMFSZDLQRWNDPO-WQRHYEAKSA-N 372.442 3.939 30 40 FHEB C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc12 14201217 YBOYPLVWQQPJQU-HNNXBMFYSA-N 350.443 3.892 30 40 FHEB CCNC(=S)N/N=C/c1ccc(-c2cccc(Br)c2)o1 19324101 MHPINQZMYHFBSS-RQZCQDPDSA-N 352.257 3.527 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2cc(C)ccc2C)cc1OC 38199343 IGCYDEQLIZXNNK-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 40107296 RLYZSIDQVANDMK-ZWKOTPCHSA-N 356.466 3.907 30 40 FHEB N#C[C@@H](C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2s1 48824862 PPJVCQJLYMZCOT-LBPRGKRZSA-N 367.396 3.747 30 40 FHEB CCc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1 100823085 OYRYTBCQYPMIEK-JZJYNLBNSA-N 359.834 3.746 30 40 FHEB Cc1ccc(/N=C2/S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 101194052 HMTMTHUUFQSRFI-ZBBYCGENSA-N 354.431 3.914 30 40 FHEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N2)c2ccccc2C1=O 104869030 SCODTBPEMCTNMH-SFHVURJKSA-N 372.380 3.896 30 40 FHEB CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc([C@@H]3CCOC3)c2)cn1 330338091 UXUGGBFMFJATFC-YZGWKJHDSA-N 369.465 3.632 30 40 FHEB N#Cc1ccnc(OC[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 1776009276 ZCDNGSSFFKAFAD-CQSZACIVSA-N 362.355 3.662 30 40 FHEB C=C(C)CN(CC)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 8940940 ODIAGUSWVJGGRO-UHFFFAOYSA-N 350.875 3.642 30 40 FHEB N#CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 43558261 VUTVWVDJXOFWRE-UHFFFAOYSA-N 363.417 3.716 30 40 FHEB C=CCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2199453 SBJRNUHDYVOMFT-UHFFFAOYSA-N 372.428 3.752 30 40 FHEB CCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N 100931959 QZFKGOWJRDTKJB-UHFFFAOYSA-N 368.572 3.611 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 4115525 CIKGNNPUPAUFFC-CPNJWEJPSA-N 363.413 3.616 30 40 FHEB Oc1ccc2ccccc2c1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4536408 KBVZHFRLONMXBB-SRZZPIQSSA-N 354.373 3.811 30 40 FHEB N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 6543674 AOHSCYRRFNVKDT-UHFFFAOYSA-N 365.458 3.525 30 40 FHEB C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2ccccc21 6909041 AJUAVJTVWIIQLG-CYBMUJFWSA-N 368.487 3.956 30 40 FHEB COc1ccc(Cn2nc(OCc3ccccc3Cl)c(C#N)c2N)cc1 225848083 LUXJRISNFXPMJD-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)C[C@H](C)CC)[C@H]12 198550560 RHNRTKTXTFENOC-NEIOYTPDSA-N 364.482 3.561 30 40 FHEB biogenic,in-vitro Cc1ccc2nc(-c3ccc(N/N=C(\C#N)C(N)=S)cc3)sc2c1 1003651 FYCLRUFVKGGGHZ-HYARGMPZSA-N 351.460 3.849 30 40 FHEB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 11612355 LSCGZJZKKAPTNP-FGTMMUONSA-N 364.489 3.775 30 40 FHEB C#CCOc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c1 12219325 MILWZOKYKIACDL-TYABSZSSSA-N 365.448 3.852 30 40 FHEB CCc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165162 LLANKAMJSZIZFB-MGPUTAFESA-N 360.417 3.849 30 40 FHEB COCCCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 20591502 UHQAMNBMJYXYQI-UHFFFAOYSA-N 366.465 3.997 30 40 FHEB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C#N)cc1F 32860259 SSVLWLWOABDQMQ-NSHDSACASA-N 360.366 3.830 30 40 FHEB CCc1cc(SCC(=O)N(CC)CC)n2c(nc3ccccc32)c1C#N 4485534 IEDWGMDKPYORRB-UHFFFAOYSA-N 366.490 3.882 30 40 FHEB CCN(CC)C(=O)C[C@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 4984349 XUDRBKYQPMUNKG-QHCPKHFHSA-N 373.456 3.791 30 40 FHEB CO/N=C/C(C(=O)Nc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1C 5379880 FPGKXVOLNIYRFB-WSDLNYQXSA-N 367.449 3.746 30 40 FHEB COC(=O)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6579514 PKAIRKOAHUVIHV-AWQFTUOYSA-N 367.283 3.846 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3c(C)cccc3C)S2)cc1 17242421 RSVCNSSIEDEDGB-MRXNPFEDSA-N 367.474 3.860 30 40 FHEB CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656809 MQMPIRJXQYLFHC-IXMFVRRYSA-N 368.414 3.714 30 40 FHEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2CCCC2=O)c1 45404336 KJPADRPDWJBGDP-UHFFFAOYSA-N 361.445 3.737 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1C 57996468 TYDXTMFYZSRNGV-APPDUMDISA-N 364.902 3.762 30 40 FHEB N/C(=N/OCC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccs1 71805907 YISNPGMKNGAGTF-UHFFFAOYSA-N 367.430 3.816 30 40 FHEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(CC)cc2)S1 409078306 BOMJGCLDGOPVHL-QINSGFPZSA-N 373.474 3.597 30 40 FHEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2C)c1 409096835 FCQDMUIFRQKQAN-HYARGMPZSA-N 352.434 3.677 30 40 FHEB Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(CN4CCCC4)cc3)[nH]c12 554322707 KLRHHJPZGIVOPG-SFHVURJKSA-N 358.445 3.957 30 40 FHEB C=CCN(C(c1ccccc1)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 575420708 JIHVXCOGFNXLMS-NRFANRHFSA-N 355.503 3.841 30 40 FHEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 77379615 WOJUUMGYOGTSTL-UHFFFAOYSA-N 366.343 3.703 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OC 4997980 BUYRLODDDDBDCN-LFIBNONCSA-N 367.788 3.705 30 40 FHEB C/C(=N\Nc1ccccc1)[C@@]1(C)N(O)C(C)(C)C(c2cccs2)=[N+]1[O-] 7787400 MRPHNIDGGABMBU-UIMCMNAESA-N 358.467 3.735 30 40 FHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)cc2)C1=O 1144807 MYBKQNHTTQKGFL-FOWTUZBSSA-N 367.426 3.849 30 40 FHEB CCOc1ccc([C@@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)cc1OC 8324781 PSTLQTGJJCIOOU-HXUWFJFHSA-N 355.434 3.651 30 40 FHEB C=CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 5129576 XUYIEWOPTWEJPG-RVDMUPIBSA-N 371.443 3.773 30 40 FHEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)o1 9422806 GNESPAKHKUFRGQ-JMIUGGIZSA-N 374.396 3.951 30 40 FHEB N#Cc1ccccc1CN1CC[C@@H](N(Cc2ccccc2C#N)C2CC2)C1 89813918 RCGRZRJSPIPOTP-HSZRJFAPSA-N 356.473 3.669 30 40 FHEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2C/C(=C/CCCC(=O)O)C[C@H]21 39351831 HIFJCPQKFCZDDL-KOUQQIJKSA-N 360.494 3.541 30 40 FHEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 684813390 IVWHAQKSLBOHAI-LMMKCTJWSA-N 360.502 3.634 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC 12411526 HYUCWEWKBSIAJS-SFQUDFHCSA-N 354.431 3.986 30 40 FHEB COc1cccc(/C=N/Nc2ncnc3c2[nH]c2ccc(C)cc23)c1OC 13598593 VIOHGSVXIQOPNZ-AUEPDCJTSA-N 361.405 3.883 30 40 FHEB O=C(/C=C\N[C@@H](Cc1ccccc1)C(=O)O)c1cc(Cl)ccc1Cl 16478658 JRAFVTUJUHLZNV-QWGSZXSUSA-N 364.228 3.975 30 40 FHEB CC1(C)C[C@]2(C[C@@H](c3ccccc3)C3=C(CCCC3=O)O2)NC(=S)N1 875618 DNCPBPAQSAKGLJ-VBKZILBWSA-N 356.491 3.540 30 40 FHEB N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCC2 879529 MYMWRZGVEVSXID-UHFFFAOYSA-N 355.444 3.980 30 40 FHEB COC1=C/C(=C(\S)NCc2ccc(F)c(C(F)(F)F)c2)C=CC1=O 100327289 QNFCCXMXXFELNG-GDNBJRDFSA-N 359.344 3.745 30 40 FHEB COC(=O)c1ccc(CSc2nc(C(F)(F)F)cc(C)c2C#N)o1 36623964 ZYSRQHVZUQCVAX-UHFFFAOYSA-N 356.325 3.952 30 40 FHEB CCOC(=O)Cn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 3908687 VTCXLDVCIWGQRK-SRZZPIQSSA-N 361.405 3.527 30 40 FHEB N#Cc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 14197020 RTWPNRBWHXVGFH-HSZRJFAPSA-N 367.452 3.637 30 40 FHEB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 4673419 QKPAXSGBQIRJOU-ZDUSSCGKSA-N 366.808 3.803 30 40 FHEB C#CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 4944159 CYNOINIFCIZBFS-MRXNPFEDSA-N 373.412 3.571 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1cccc(Cl)c1Cl 18196020 GIDNAWDMDQZJMR-AWEZNQCLSA-N 364.236 3.638 30 40 FHEB CCN(C[C@@H](C)C#N)C(=O)CCSc1ccc(Br)cc1 84765662 ZLJWNOJMSIOCOE-LBPRGKRZSA-N 355.301 3.939 30 40 FHEB O=C1CCCC2=C1C(c1ccc(N3CCCC3)cc1)C1=C(CCCC1=O)N2 409199125 BHHCGASQTBKFHQ-UHFFFAOYSA-N 362.473 3.988 30 40 FHEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777757 OHDLONJRECWLDR-UHFFFAOYSA-N 370.836 3.907 30 40 FHEB N#Cc1cc(O)cc(C(=O)NC2(Cc3ccccc3Br)CC2)c1 590456385 DXJIQFNFYBGWHM-UHFFFAOYSA-N 371.234 3.531 30 40 FHEB N#Cc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 6220943 HJUADVDMLGBPIT-OVCLIPMQSA-N 367.411 3.872 30 40 FHEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c1OC 4464791 BVFAUFDIYXHVBZ-LFIBNONCSA-N 354.431 3.904 30 40 FHEB Cc1cc(C)cc(C(=O)[C@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CS3)c1 103691789 UDTXZRMPOQNGID-OAHLLOKOSA-N 364.426 3.553 30 40 FHEB COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1 12609591 HVIOSKAKOQCWDJ-VMPITWQZSA-N 371.408 3.576 30 40 FHEB O=C1N/C(=N/c2ccccn2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 6475622 CMWNAQQAYNOKHR-LBPRGKRZSA-N 352.246 3.850 30 40 FHEB COc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1 12662554 WWKIADBLLFSEBG-GRSHGNNSSA-N 368.385 3.642 30 40 FHEB biogenic CC1(C)OB(c2sc(Br)cc2Br)OC1(C)C 208394744 PWGWENYRRJXMGB-UHFFFAOYSA-N 367.899 3.572 30 40 FHEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)o1 8844549 LQDGWEIQQPJOEB-UHFFFAOYSA-N 365.389 3.530 30 40 FHEB COC(=O)C1(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CCCCC1 22503886 NZQDASKQMSLCCI-UHFFFAOYSA-N 361.441 3.692 30 40 FHEB COc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 1443155 IAVNUUQUQNQTCA-UHFFFAOYSA-N 367.368 3.965 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)CSc2nc3ccccc3nc2C)n1 23055639 COOFGRWUCNASOX-LBPRGKRZSA-N 354.460 3.672 30 40 FHEB N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 58413899 MVMUSRGPXDEUSC-ZRDIBKRKSA-N 360.461 3.663 30 40 FHEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)NC3CCCCC3)o2)cc1 3278951 GMEXBNCTLYAVCX-XDHOZWIPSA-N 372.450 3.986 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10941384 ZSJIVQIYWCKMPN-IBGZPJMESA-N 354.479 3.654 30 40 FHEB CC(C)(C)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3311383 LYQCOKLWBHJCST-UHFFFAOYSA-N 368.458 3.781 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)c(C)c3)c3n2CCC3)cc1 13771066 IPILQAYMJWKSFM-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(OC)cc2)C1=O 67225307 UDAYLVFSONTLJO-GHRIWEEISA-N 365.385 3.522 30 40 FHEB N#Cc1cccc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 75106941 NDOZKZFHVICCIH-UHFFFAOYSA-N 352.419 3.503 30 40 FHEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cc(C)cc(C)c1 20849199 JWIAIGWLGDGYGD-XDOYNYLZSA-N 350.374 3.681 30 40 FHEB Cc1cccc2c1OC[C@H](/N=C(/O)N1CCC(c3nccs3)CC1)C2 329625098 OKEWXMDFNACGNM-MRXNPFEDSA-N 357.479 3.549 30 40 FHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1cccs1 225123249 ZMFXSVOBBOQCQU-UHFFFAOYSA-N 358.282 3.892 30 40 FHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 224762131 FVRIAGRNBFDGEQ-UHFFFAOYSA-N 374.418 3.541 30 40 FHEB C[C@@H](CN=c1[nH]c2c(c(C#N)c1C#N)CCCCCC2)c1nccs1 619490025 JXNPEYNOFWBFGJ-ZDUSSCGKSA-N 351.479 3.578 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 5565226 OZZFCCWEFAGBHN-KRWDZBQOSA-N 354.431 3.577 30 40 FHEB CCOc1ccccc1[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 85409081 RUPFXMQVLFANBB-KRWDZBQOSA-N 374.400 3.508 30 40 FHEB Cc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c(C#N)c(C)c1C 7060213 BDUKPUHDWAFBCI-UHFFFAOYSA-N 354.479 3.675 30 40 FHEB CCOC(=O)Cn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21 8811540 QDONRWLOYNRDLV-FSJBWODESA-N 369.852 3.982 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C#N)c1)O[C@H](C)C2 12564900 OGDZWQFACILHGL-ZIAGYGMSSA-N 365.433 3.719 30 40 FHEB O=C(Nc1cccc(Br)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818363 XNPGYHSGWLDFRE-FXRFWABVSA-N 364.239 3.810 30 40 FHEB CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2367033 WQQIXFOUKOQUCN-HZPDHXFCSA-N 366.465 3.817 30 40 FHEB aggregator N#Cc1ccc(OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 14856852 WWRRMBUFXAXVHU-UHFFFAOYSA-N 361.376 3.981 30 40 FHEB N#Cc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 7088892 PLCSQPXQNFJWOC-INIZCTEOSA-N 351.387 3.746 30 40 FHEB CC(=O)c1cccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1 1505840470 CZENPCXAXKYMCC-WYMPLXKRSA-N 368.396 3.914 30 40 FHEB CCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 216055848 DCZBVNNLFWTTMP-FYJGNVAPSA-N 373.409 3.525 30 40 FHEB COc1ccc(Cc2n[nH]c(/N=C(\O)Cn3ccc4ccccc43)n2)cc1 95476231 KPFNTSCOUQQWCC-UHFFFAOYSA-N 361.405 3.647 30 40 FHEB C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173674 URXFLOPQWGWCHW-RBUKOAKNSA-N 368.502 3.987 30 40 FHEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 684813759 ZQWSUQKQDOTTCE-SNRMKQJTSA-N 368.481 3.699 30 40 FHEB CC1(C)OB(c2ccc(C(F)(F)F)cc2Br)OC1(C)C 694956123 HIHHJOGYDMGBDN-UHFFFAOYSA-N 350.971 3.767 30 40 FHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)[nH]n1 57084008 ZEXDMGWLDJZOJW-UHFFFAOYSA-N 359.389 3.907 30 40 FHEB O=C(O)c1ccccc1/C=N/N1C(=O)CS/C1=N\c1ccc(Cl)cc1 1084139 ROLUMSOCFTVAKA-MQUOELAISA-N 373.821 3.635 30 40 FHEB COC(=O)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 19865364 LTWLPBOTJIWDPF-DVBWKPSCSA-N 374.477 3.603 30 40 FHEB C=CCNC(=S)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)c(OC)c1 6183089 XVRPBDYYNIJOGJ-WXUSHSQQSA-N 369.490 3.819 30 40 FHEB CCOC(=O)C(=O)/C(=N/Nc1ccccc1Cl)Sc1ccccc1 2567069 LTWABKIAUMBKDN-SILNSSARSA-N 362.838 3.990 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2ccc(C)cc2C)c1C#N 1443995 QELUUHNDCGBWEJ-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O 6073978 VSSBZPALBIVFAK-FHNWIRHTSA-N 368.385 3.560 30 40 FHEB biogenic C[C@](O)(CNC(=O)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 75155381 DMXBGANTUHERON-QHCPKHFHSA-N 356.425 3.863 30 40 FHEB N#Cc1ccsc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 22980618 UCOTYYQRPQZSHY-UHFFFAOYSA-N 373.434 3.976 30 40 FHEB Cc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1 1354114 ROEVXASZFLGTBW-UHFFFAOYSA-N 358.401 3.721 30 40 FHEB CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C#N 3104740 QUXWFENSGWVOCB-UHFFFAOYSA-N 369.229 3.521 30 40 FHEB N#Cc1cccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)c1 3372388 MQAQIADWDPJKLV-UHFFFAOYSA-N 373.507 3.885 30 40 FHEB Cc1cc(SCC(=O)N[C@@H](C)C(C)C)n2c(nc3ccccc32)c1C#N 4269424 OKUWXJIIZVGOSF-AWEZNQCLSA-N 366.490 3.920 30 40 FHEB O=C1Nc2ccccc2/C1=N\N=C(\C(=O)c1ccccc1)c1ccccc1 5163707 VSGBCUWPJKWSPE-LYBHJNIJSA-N 353.381 3.715 30 40 FHEB N#Cc1c(NC(=O)CN(Cc2ccccc2F)C2CC2)sc2c1CCC2 7857965 WWQNMEBTNRKSDT-UHFFFAOYSA-N 369.465 3.851 30 40 FHEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc(Cl)c1 18283810 MONYWSVACBEMIC-CQSZACIVSA-N 359.838 3.588 30 40 FHEB O=C(CNc1cccc(C#Cc2cccs2)c1)NCCc1cccs1 29934268 LGNMDWORDBRRPP-UHFFFAOYSA-N 366.511 3.980 30 40 FHEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67350838 UKXAAUBHBIUMCT-UZYVYHOESA-N 356.765 3.717 30 40 FHEB C#CCOc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1OC 72341980 UNQAAZUGXNWIEB-UHFFFAOYSA-N 374.400 3.622 30 40 FHEB COc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)cc1O 96973233 TYKWOFFQMCIIGV-WDZFZDKYSA-N 361.191 3.822 30 40 FHEB COCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccccc1 100280152 JKYOUSSWSZGYNG-RABLAQOOSA-N 368.458 3.946 30 40 FHEB C#CCOc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c1 100763622 MILWZOKYKIACDL-NHCUHLMSSA-N 365.448 3.852 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409097780 OAZAMUJPNGJXHD-WSVATBPTSA-N 370.243 3.673 30 40 FHEB C=CCn1c(CC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 987288 XQMGAOVMBWPFPO-UHFFFAOYSA-N 355.463 3.606 30 40 FHEB C=CCn1c(SCC(=O)OC(C)(C)C)nc2sc(C)c(C)c2c1=O 3326916 GMXOZRZSVCTSAW-UHFFFAOYSA-N 366.508 3.695 30 40 FHEB CC1=NN(c2ccccc2)[C@@H](N)/C1=N\Nc1ccc2sc(C)nc2c1 4930257 SIZIJAURNKRGKX-LFTLAFEGSA-N 350.451 3.554 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 5967435 DOHVUBFOZRDMMX-KVMVOAJRSA-N 352.386 3.942 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 9089562 MUXKINWBRJXFLV-IBGZPJMESA-N 363.413 3.768 30 40 FHEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Br)C2=O 20518297 DRURZKUHKFYNRJ-SXGWCWSVSA-N 374.234 3.833 30 40 FHEB C=CCN(Cc1cccs1)C(=O)CSCC(=O)Nc1cccc(C)c1 21930120 NOURLIQRZKXMDJ-UHFFFAOYSA-N 374.531 3.943 30 40 FHEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1nc2c(F)cc(F)cc2s1 44827552 JNTBFJQNAMMGPE-YFHOEESVSA-N 358.325 3.672 30 40 FHEB CCN(C)[C@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 95461491 DRZKUDNSXNLTML-IBGZPJMESA-N 372.490 3.514 30 40 FHEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)c1 100261434 YCVJINLTCYZHHM-BWORXHKJSA-N 371.437 3.724 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225773912 NUCPLDRVEYERPI-UHFFFAOYSA-N 364.445 3.952 30 40 FHEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 408729230 YMYQKNCRYXTGEQ-YPTNZUMGSA-N 366.804 3.741 30 40 FHEB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 409151960 CYBGWSOJXGKPAH-LICLKQGHSA-N 350.399 3.803 30 40 FHEB N#Cc1ccc(CCC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 594397337 FBHRULWYIHNJND-UHFFFAOYSA-N 370.456 3.840 30 40 FHEB C=C(Cl)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1 2438164 RFPRIBJBIWYFKU-UHFFFAOYSA-N 350.798 3.728 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C#N)C1 4088486 PMVPMAWTSPHZIM-BZNIZROVSA-N 354.431 3.523 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC(F)(F)C(F)F 5172985 FVOCXBGSEWEADY-UHFFFAOYSA-N 365.161 3.834 30 40 FHEB COc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)cc(OC)c1OC 8745268 XQOQJBRVVAWEMU-VOTSOKGWSA-N 372.446 3.935 30 40 FHEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cccc(O)c1 12766563 AFWISWUPOADYGK-CMDGGOBGSA-N 360.413 3.673 30 40 FHEB O=C(O)c1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13339133 IUIAIGDFYKUPBZ-AWQFTUOYSA-N 367.352 3.724 30 40 FHEB COc1cc(/C=C2/CC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 18066836 NZSRSKNDCCSSGY-CKOAPEAFSA-N 352.386 3.945 30 40 FHEB C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2ccccc2c1C#N 32898788 MPCRGGPHQZCEJD-CYBMUJFWSA-N 354.793 3.975 30 40 FHEB CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 408568366 SYAKLJOSIILVRQ-WOJGMQOQSA-N 374.353 3.746 30 40 FHEB COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OC(C)=O 408759966 PDNQHSQCHRUOKI-BOPFTXTBSA-N 368.414 3.512 30 40 FHEB N#Cc1ncccc1N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995237 JRBZPIMISFYHTG-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB N#Cc1cc2c(nc1N1CCC(N3CCc4sccc4C3)CC1)CCC2 1776000931 QEOPSLGRLJNSLM-UHFFFAOYSA-N 364.518 3.531 30 40 FHEB CC(=O)N(C)C1=C(Sc2ccc(C)cc2)C(=O)c2ccccc2C1=O 1722546 WKQIXFOAPKXXIN-UHFFFAOYSA-N 351.427 3.856 30 40 FHEB N#C[C@@H]1C(CN2CCCc3ccccc32)=CC(=O)n2c1nc1ccccc12 24678499 YYHBNDPAHCVBQJ-QGZVFWFLSA-N 354.413 3.676 30 40 FHEB CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1snc(C)c1C(=O)OC 56322718 SSAVNQMCJKRVII-UHFFFAOYSA-N 372.450 3.554 30 40 FHEB CCCCCCCCCCCCNS(=O)(=O)N(CCC#N)CCC#N 100923829 MQIFOHHATVGTFR-UHFFFAOYSA-N 370.563 3.871 30 40 FHEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)n1 22357310 IKKYNDVNLMORPQ-BTKRWWFXSA-N 360.822 3.538 30 40 FHEB Cc1cccc(C2CC(=O)C(=C3OCCN3Cc3ccccc3)C(=O)C2)c1 20800812 BXDIQGLVBJCXMM-UHFFFAOYSA-N 361.441 3.755 30 40 FHEB CC[C@H](/C(O)=N/S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1 84734257 VPXLKJVRMRKVGF-INIZCTEOSA-N 371.418 3.576 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl 6620122 HRTNNRCRFWPCRM-BMIGLBTASA-N 373.678 3.924 30 40 FHEB C#CCn1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 409244477 DFCVXWSFICQVIE-DEDYPNTBSA-N 369.424 3.676 30 40 FHEB C=CCN(c1ccc(C(=O)NC[C@@H](CC)CCCC)cc1)S(C)(=O)=O 223923479 OWNADVMLPBYHOM-INIZCTEOSA-N 366.527 3.585 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(C)c(O)cc23)n1 11865326 SKYWKTSOZMOFQP-UHFFFAOYSA-N 352.415 3.983 30 40 FHEB biogenic Cc1c(CNN(C)c2ccccc2)c(O)n2c(nc3ccccc32)c1C#N 6417448 RYSYHXBRSZLEDE-UHFFFAOYSA-N 357.417 3.514 30 40 FHEB N#Cc1cccc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 6465426 OCSVZYHKNMCYCR-UHFFFAOYSA-N 359.307 3.670 30 40 FHEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 24148033 HXWRLNSXRKWJJC-OAHLLOKOSA-N 374.444 3.793 30 40 FHEB COc1ccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc1[N+](=O)[O-] 3236227 OZWCECHYEBBFHD-UHFFFAOYSA-N 363.373 3.852 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(F)c1 6002215 GSMKPBYGIPGJOD-AWEZNQCLSA-N 371.437 3.586 30 40 FHEB Cc1c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cnn1C 6275651 PAUPBXGVXWRNPT-IBGZPJMESA-N 361.449 3.736 30 40 FHEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4776968 MXECBZLIJPOJEN-QRWLVFNGSA-N 360.392 3.833 30 40 FHEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)o1 9423387 FSDGPQBKSJEZFQ-JMIUGGIZSA-N 374.396 3.951 30 40 FHEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(Br)c(N(C)C)o1 408854066 WWKWTPQIICRKAR-CAOOACKPSA-N 351.200 3.865 30 40 FHEB C/C(=N\O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 504688436 VBQTVLRYOLZCJR-DENHBWNVSA-N 364.736 3.661 30 40 FHEB CCN(CC)c1ccc(NC(=O)CSc2ncccc2C#N)c(C)c1 71326961 OQIRCVBAYFQIPR-UHFFFAOYSA-N 354.479 3.839 30 40 FHEB CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820614 SMPJXEWHZIIVCU-ZDUSSCGKSA-N 360.870 3.981 30 40 FHEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)cc1 8844525 CUDUHRDPMJYEKV-UHFFFAOYSA-N 365.389 3.994 30 40 FHEB COc1cc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 20082038 QPBOKCMORSSMHU-JCMHNJIXSA-N 373.884 3.596 30 40 FHEB CC(C)c1ccc(-c2nnn([C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5087254 QJQKWAZVULWTGU-AWEZNQCLSA-N 360.421 3.535 30 40 FHEB Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)CC#N)cc1 6651429 PGHGPLPCSGRNDA-UHFFFAOYSA-N 372.222 3.862 30 40 FHEB C=CCn1nc(Nc2ccccc2)n2c(=O)c3c(C)c(C)sc3nc12 7277778 PCXFBIFOECGECR-UHFFFAOYSA-N 351.435 3.652 30 40 FHEB COc1ccc2c(c1)CCCN2C(=O)c1c(C)oc(-n2cccc2)c1C#N 10542570 ODFMXZCXNMIXFP-UHFFFAOYSA-N 361.401 3.852 30 40 FHEB CCOc1ccc(/C=N\NC(=S)Nc2ccc(F)cc2)cc1OCC 33670749 ARXLQDBAYKMSFX-NDENLUEZSA-N 361.442 3.944 30 40 FHEB CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21 107746140 GEGNLMGKHDZLLO-HLAWJBBLSA-N 363.461 3.524 30 40 FHEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccccc2F)cc1 409332067 PHESCCQXSWNJSW-OCKHKDLRSA-N 360.435 3.599 30 40 FHEB COC(=O)C(C#N)(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1 1595452 IHHWCIFPTKGKEP-UHFFFAOYSA-N 363.413 3.996 30 40 FHEB C=CCOc1ccc2c(C)c(C)c(=O)oc2c1I 2137171 ORUOQPFIRCTKTB-UHFFFAOYSA-N 356.159 3.579 30 40 FHEB biogenic CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 12659614 JQWISHUBSOEHDO-NWSQWKLXSA-N 370.513 3.564 30 40 FHEB biogenic C/C(=N\OCC(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccc2c(c1)OCO2 46366816 RBCIOUDXNYXUOH-YDZHTSKRSA-N 365.389 3.584 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2ccc3c(c2)CCC3)cc1 14397466 QAOUGLKRBFGIJQ-ZVHZXABRSA-N 365.433 3.513 30 40 FHEB CCCCCCCC(=O)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 408751572 ZOCWIYOFUXYWAV-INIZCTEOSA-N 357.376 3.629 30 40 FHEB C=CCNc1nnc(S[C@H](CCCC)C(=O)Nc2cc(C)on2)s1 8709100 PRDPBCGZDJRTGO-LLVKDONJSA-N 367.500 3.722 30 40 FHEB COc1ccc(-c2[nH]/c(=N/N=C/c3ccc4c(c3)OCO4)sc2C)cc1 27526034 QKAYIAKUBIAEQM-KEBDBYFISA-N 367.430 3.724 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1 36046708 SQWWVSFAKPZRRS-DNTJNYDQSA-N 369.406 3.630 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2ccccc21 40128036 VQJFBCURAQPOGA-UHFFFAOYSA-N 350.418 3.705 30 40 FHEB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc2O1 223660819 UEBPSRNLBFCAFF-UHFFFAOYSA-N 356.447 3.657 30 40 FHEB C=CCn1c(C)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 47996163 UKELKYFJAZYTCC-HNNXBMFYSA-N 369.494 3.887 30 40 FHEB COc1ccc(/C=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3176432 AUFAJMHBUUQDKD-UFFVCSGVSA-N 352.312 3.703 30 40 FHEB CN1/C(=C/C(=O)COC(=O)c2cccnc2Cl)C(C)(C)c2ccccc21 3466369 DTELVCZHEQSSGQ-GZTJUZNOSA-N 370.836 3.772 30 40 FHEB COc1ccccc1NC(=O)/C(=C/n1c(=S)[nH]c2ccccc21)C(C)=O 1637408 JKKPDHCFLYUAPG-ACCUITESSA-N 367.430 3.776 30 40 FHEB C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc(C2CCCCC2)cc1 6157883 KYQDZXGCFSPFJL-YQODDJSKSA-N 373.478 3.521 30 40 FHEB CCc1nc(C)c(C#N)c(SCC(=O)N(CC)c2ccccc2C)n1 12848540 NNCKLWBCNNRTBN-UHFFFAOYSA-N 354.479 3.673 30 40 FHEB Oc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c(O)c1 4981035 JPHGCTKXUXOBSS-WSDLNYQXSA-N 357.373 3.549 30 40 FHEB N#Cc1ccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 8121057 KZEPXPPZBTYELF-UHFFFAOYSA-N 371.396 3.828 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 18195479 UZPSOJTUMLRZET-GFCCVEGCSA-N 350.205 3.987 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2ccc(F)cc2)C(C)(C)c2ccccc21 18210178 UUDCNABCMBBDAQ-UNOMPAQXSA-N 353.393 3.863 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8743661 XOMIKTJMVYGCFX-MGNBDDOMSA-N 368.343 3.565 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 23125239 QRYWBGFTELWXKC-ZDUSSCGKSA-N 373.334 3.569 30 40 FHEB COc1cc(Br)c(CCNc2ccccc2C#N)cc1OC 32808483 IGRMKAZSDSGBPM-UHFFFAOYSA-N 361.239 3.993 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225773875 UPNYFJFWGADGHE-UHFFFAOYSA-N 350.418 3.562 30 40 FHEB O=C(O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)cc1 13138448 KYCXKIJFPCVASP-ODLFYWEKSA-N 351.318 3.999 30 40 FHEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 1101135 NKWNCSSLOCZENM-HNNXBMFYSA-N 373.474 3.509 30 40 FHEB CSc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CCCC3=O)s1 1445948 NFDIIATWEIQAQO-GFCCVEGCSA-N 371.487 3.788 30 40 FHEB C=CCN/C(S)=C(\C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1 3377535 NPIMZBAPOKJNBY-UHFFFAOYSA-O 353.511 3.986 30 40 FHEB N#Cc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11072329 WDIVTQKPOCIADT-UHFFFAOYSA-N 357.413 3.734 30 40 FHEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 13689231 LRWLGAUIQGMOPT-UHFFFAOYSA-N 363.417 3.808 30 40 FHEB Cc1ccc2nc(NCCNC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 35313100 ADTGTBSGVZUXGK-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB N#Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 36774854 GTAYOUAIWYTVBN-HNNXBMFYSA-N 351.362 3.579 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)CC#N)[C@@H]2c2cccs2)cc1 58421126 WERIOUVQEWNHMY-URLQWDBASA-N 367.474 3.569 30 40 FHEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1cn(-c2ccccc2)nn1 95412795 QUURYGKZSSWHOS-VOTSOKGWSA-N 367.792 3.588 30 40 FHEB CC(C)=CC[C@H](OC(=O)C=C(C)C)c1cc(O)c2c(c1O)C(=O)C=CC2=O 102967578 ZWYUHJQQLXNNSY-KRWDZBQOSA-N 370.401 3.940 30 40 FHEB biogenic N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106680434 UQUNFWMPVHYZTE-ATVHPVEESA-N 350.399 3.825 30 40 FHEB C=CCOc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 219644887 DQAZBYPHUWNIRP-UHFFFAOYSA-N 350.462 3.824 30 40 FHEB Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2C)n(-c2ccc(F)cc2)c1C 12527948 OPUSPRVAFINKQH-CQSZACIVSA-N 368.456 3.918 30 40 FHEB CO/N=C(/CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 4060203 HHJAVFYQAYCZHV-MNDPQUGUSA-N 372.273 3.959 30 40 FHEB C#CCOc1ccccc1[C@@H]1NC(=O)c2sc3nc(C)cc(C)c3c2N1 9469677 CHANUZOPFCKMOR-SFHVURJKSA-N 363.442 3.779 30 40 FHEB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6882213 FXERTECWEPGMKG-CZUORRHYSA-N 367.836 3.760 30 40 FHEB N#C[C@@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)o1 6845515 UBDDFUAHOHBTAY-PBHICJAKSA-N 365.414 3.809 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409105521 IFSFUWUVEWXCFR-XYOKQWHBSA-N 354.225 3.680 30 40 FHEB C[C@@H]1c2nnc(C3CCCC3)n2CCN1/C(O)=N/[C@H](C1CC1)C(F)(F)F 329586437 WVCCIRMOJUNUTB-ZWNOBZJWSA-N 371.407 3.567 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 13684158 XHNXBWDAQPZARY-UHFFFAOYSA-N 360.413 3.773 30 40 FHEB COc1ccc(Br)c(C(=O)Oc2ccc(C#N)cc2OC)c1 15988317 KVHCSVPWLOENOS-UHFFFAOYSA-N 362.179 3.557 30 40 FHEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 5128036 MGRRLDUZDMYFMW-RMKNXTFCSA-N 358.390 3.626 30 40 FHEB biogenic COC(=O)c1cnc(/N=C(\O)c2sc(Cc3ccccc3)nc2C)s1 33162430 PQFNACDLKGXLCT-UHFFFAOYSA-N 373.459 3.922 30 40 FHEB N#CCCn1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccccc21 5624216 QAAIJNWPRWVXLQ-UHFFFAOYSA-N 367.336 3.864 30 40 FHEB C=CCOc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1OCC 8254474 DARHZHCLFHRHFF-UHFFFAOYSA-N 371.477 4.000 30 40 FHEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)cc1 12062644 XQSKYNNVXBEEME-UHFFFAOYSA-N 365.389 3.952 30 40 FHEB N#Cc1c(COC(=O)C2=Cc3cc(Cl)ccc3OC2)cn2ccccc12 14854444 ZCDABICGAOPETB-UHFFFAOYSA-N 364.788 3.984 30 40 FHEB COc1cccc(-c2cc3nc(-c4cccc(OC)c4)c(C#N)c(N)n3n2)c1 19797070 QZUNKONWFXAAQY-UHFFFAOYSA-N 371.400 3.534 30 40 FHEB Cn1cccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19807911 IMLVFERGRRBSCH-JJIBRWJFSA-N 356.473 3.747 30 40 FHEB N#Cc1cccnc1N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889477 WVLGRXHYHZFEBT-QGZVFWFLSA-N 357.417 3.777 30 40 FHEB CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1CC=CCC1 96031327 JLKIQERNEYLJLA-UGKGYDQZSA-N 361.526 3.543 30 40 FHEB in-vitro Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(N)=O)cc1 408914511 YEYUWKNDDJZFRB-UHFFFAOYSA-N 370.408 3.656 30 40 FHEB C=CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Br 408929451 JQEGWOYSOWGNBQ-MLUUXWFWSA-N 367.268 3.546 30 40 FHEB C=CCSc1ccccc1NC(=O)CNC(=O)NCc1ccc(C)cc1 10037075 PQVVBWHZIJITGN-UHFFFAOYSA-N 369.490 3.711 30 40 FHEB N#CC1(C#N)C[C@H]2CS[C@@](c3ccc(Cl)cc3)(S2)C1(C#N)C#N 102041723 FAFGNIHYFRFEGF-BBRMVZONSA-N 356.863 3.812 30 40 FHEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 6926330 MHVWUNXQTPWMNK-CXUHLZMHSA-N 365.370 3.703 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccco1 96336100 TWVHAYVMYNHOJY-CQSZACIVSA-N 370.361 3.658 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(F)cc2)S1 408751738 AWJJEGHFCPXYKF-OQLLNIDSSA-N 357.366 3.934 30 40 FHEB O=Cc1ccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117265 FMTMVZGJWUAXOE-KRWDZBQOSA-N 373.408 3.688 30 40 FHEB CCOc1c(Cl)cc(C(=O)N(CCC#N)Cc2cccnc2)cc1OC 60851023 PPFAXHASFBRWHX-UHFFFAOYSA-N 373.840 3.698 30 40 FHEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccc(F)cc1 13212150 NVAITYQBMOOQEG-KPKJPENVSA-N 361.716 3.518 30 40 FHEB N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C#N)s1 4176911 WFHPNXWMKQXQJG-UHFFFAOYSA-N 372.409 3.996 30 40 FHEB CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C(C(C)C)=C(Cl)C1=O 947564 RCTVSPHIEMMBDR-XMHGGMMESA-N 351.855 3.803 30 40 FHEB Cc1ccc(S(=O)(=O)c2cc(OCC(F)(F)F)ccc2C#N)cc1 1442057 GRADCOKIRNGRIM-UHFFFAOYSA-N 355.337 3.641 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1 2196071 UUOFLIYGLOGPNZ-SXGWCWSVSA-N 358.394 3.735 30 40 FHEB C/C(=N\NC(=S)Nc1ccccc1F)c1cc2ccccc2oc1=O 7010401 DSHWBRJVNRHQFO-SRZZPIQSSA-N 355.394 3.643 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 12621816 WZDKHISQLUOALE-SJKOYZFVSA-N 356.422 3.818 30 40 FHEB O=C1Nc2c(Cl)ccc(Cl)c2/C1=N/Nc1ccccc1[N+](=O)[O-] 16916714 VYUQONIJOYVLCS-UHFFFAOYSA-N 351.149 3.670 30 40 FHEB COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(N)n2)c1 19879642 PJUCAICNBKJFOS-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB N#C[C@@H]1C(=O)NC(=O)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 28465174 FEHVOEHVPWXOMC-ZBFHGGJFSA-N 365.458 3.640 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(C(C)C)cc1 78550072 SWWGVKKYGFLJLE-LJQANCHMSA-N 359.466 3.910 30 40 FHEB CC1(C)[C@@]2(C(=O)Nc3ccc(Br)cn3)CC[C@@]1(C)/C(=N/O)C2 100892063 NKLLQKRAJINUMX-KJJXXWTESA-N 366.259 3.829 30 40 FHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409283504 QTCPSNCXMHORJS-UHFFFAOYSA-N 371.238 3.560 30 40 FHEB COc1cccc(/C=N/NC(N)=S)c1OCc1cccc2ccccc12 2805748 DHNKDXVHWISBKC-WSDLNYQXSA-N 365.458 3.595 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1 104067436 JUSPNVJHRCQEAX-NVNXTCNLSA-N 365.143 3.712 30 40 FHEB O=C(Oc1c(/C=N/N2CCOCC2)sc2ccccc12)c1ccccc1 2287538 FKLOVCCWCPQQLD-KGENOOAVSA-N 366.442 3.787 30 40 FHEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926586 JMYVEDXVIHUVFC-TZXQKUFUSA-N 357.538 3.898 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2 6932559 XOCNTBCVULNOKT-UHFFFAOYSA-N 360.822 3.557 30 40 FHEB COc1cc2c(cc1OC)CN(C/C(O)=N/c1cc(C)cc(C)c1)CC2 82049761 WHENKGQDZHNAGC-UHFFFAOYSA-N 354.450 3.967 30 40 FHEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677242 NSUJIRNYHLWNFT-UHFFFAOYSA-N 365.389 3.926 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3ccnc4ccccc34)CC2)OC1(C)C 1776000169 IZHIXPAJMLBDTH-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)o1 5435073 UWCQSKBIBXPLQY-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sccc1C#N 24829615 GWRINHUQZCLAMJ-SECBINFHSA-N 374.422 3.928 30 40 FHEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 1320643 MEXXXJRZXNUDMZ-FQEVSTJZSA-N 355.821 3.723 30 40 FHEB Cc1cc(C)c(C#N)c(N2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)n1 100641533 PYASCKKHBZJDNY-ROUUACIJSA-N 351.425 3.728 30 40 FHEB C=CCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 2664874 WAQYAQWMLIWOSU-UHFFFAOYSA-N 360.413 3.669 30 40 FHEB O=c1c2ccccc2nc2c3ccccc3c(N/N=C/c3cccs3)nn12 5603412 WDMQZLUVPNJTNQ-CIAFOILYSA-N 371.425 3.903 30 40 FHEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2s1 408722718 FHZNRBGLUJOKHO-RQZCQDPDSA-N 358.379 3.668 30 40 FHEB Cc1c(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(C#N)n1C 7947001 QPHLDWZTNQKTPQ-GFUUNDCYSA-N 354.413 3.911 30 40 FHEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(Cl)c1O 33647588 UWRGRKNMDJRUJF-FCWFZMKMSA-N 366.851 3.929 30 40 FHEB COc1cc(OC)c(OC)cc1C[C@@H](C#N)c1ccc(OC)c(OC)c1 5514392 MQBPEEAGTRSGIW-HNNXBMFYSA-N 357.406 3.579 30 40 FHEB Cn1cccc1/C=C1/S/C(=N\c2ccccc2C(F)(F)F)NC1=O 5376807 HMDXTPYTGMSRPY-UKTHLTGXSA-N 351.353 3.936 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 2433311 WDKZKIHDZZIXQZ-ODLFYWEKSA-N 352.386 3.807 30 40 FHEB biogenic C=CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501094 CBFKOXCKCWXZOF-UHFFFAOYSA-N 351.381 3.506 30 40 FHEB COc1ccccc1C(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccccc2C)c1C 103503188 OSLHKIFCXPAAPS-QGZVFWFLSA-N 373.412 3.703 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\CC/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4805015 QSPHYLMQHVNGHM-MJZABRMRSA-N 356.342 3.779 30 40 FHEB C=CCN(Cc1ccccc1F)C(=O)CCc1c(C)nn(CCC#N)c1C 58202364 ZWDMZDQQEGTJDT-UHFFFAOYSA-N 368.456 3.700 30 40 FHEB CCOc1nc2c(c(-c3ccccc3)c1C#N)c1ncnc(S)c1n2C 17155188 NWTMYDVAJFXEFU-UHFFFAOYSA-N 361.430 3.743 30 40 FHEB Cc1sc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C#N)c1C 69621065 UTSZTQPFKMJNMF-UHFFFAOYSA-N 370.434 3.997 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 14013538 YUQXVRGKOOBLBK-IBGZPJMESA-N 352.434 3.707 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C#N)C1 9521379 DMCPPOXPHGZSES-NSHDSACASA-N 354.431 3.654 30 40 FHEB O=C(C[n+]1cccc(C(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1 1726184 VLLYMNCYOTXBEJ-UHFFFAOYSA-O 366.828 3.519 30 40 FHEB C=CCOc1c(Br)cc(CNCc2cccnc2)cc1OC 7274901 XSXXMKYEWHAECA-UHFFFAOYSA-N 363.255 3.707 30 40 FHEB C=CCOc1cccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)c1 59427951 BZBXZDKJEHTTQR-PDGQHHTCSA-N 355.434 3.580 30 40 FHEB CCOc1cc(Cl)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409099030 PPZRGXIDTALWPM-VXLYETTFSA-N 364.789 3.887 30 40 FHEB N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccccc3)cc2)cc1 8768259 NUSGRXSKYVCGRD-UHFFFAOYSA-N 353.385 3.780 30 40 FHEB Cc1[nH]c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc1Cc1ccccc1 9946757 ZFDXFDLCDVTODK-MGPUTAFESA-N 370.522 3.844 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1 409277019 ALVQPAUUFHTUNK-UHFFFAOYSA-N 374.213 3.743 30 40 FHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21 409173417 MOWNMVWQRGKBGQ-VIOQCSKWSA-N 373.456 3.667 30 40 FHEB N#Cc1c(F)cccc1NCCOC(=O)NC(Cl)=C(Cl)Cl 2577686 LJQDYSYVMNLBJY-UHFFFAOYSA-N 352.580 3.678 30 40 FHEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCCC)ccc1OC 14396634 BKHHWUBQGOFFAA-UHFFFAOYSA-N 352.434 3.816 30 40 FHEB CCCCCS(=O)(=O)N1C(=O)[C@H](CC)S/C1=N\c1ccccc1 16043894 KSSAKXGTVJGHIO-HYEKCJMVSA-N 354.497 3.548 30 40 FHEB CCCCCCNC(=O)C[C@H]1S/C(=N/CCCC)N(CCCC)C1=O 16637929 IWKGBPOVTWUSPL-QQMHEVNUSA-N 369.575 3.973 30 40 FHEB CC[C@@H](C)/C=C(C)/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O 28536729 YELFBSBOFKWHSL-UCFWAISOSA-N 369.417 3.895 30 40 FHEB biogenic,in-vitro Cc1c(C#N)c(S[C@H](C)C(=O)NCc2cccs2)nc2c1CCC2 32776201 UFOZSCGPYCTYOI-GFCCVEGCSA-N 357.504 3.609 30 40 FHEB C=CCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 33554804 CVNIGEUMNNFVPO-QINSGFPZSA-N 374.396 3.604 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@@H](C)C2 12563088 IDVAYSIKTOZOQG-KBPBESRZSA-N 365.433 3.719 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H]2Cc3cc(Cl)ccc3O2)n1 48362980 ZTPZBMPJAFXGRB-OAHLLOKOSA-N 370.796 3.725 30 40 FHEB Cc1cc2nc3n(c2cc1C)C(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)S3 4791696 CHQNNWSQWPGMDR-HMMYKYKNSA-N 367.390 3.733 30 40 FHEB CC/C(=N\NC(=S)Nc1cccc(OC)c1)c1ccc(OC)c(OC)c1 4871706 UMQTXEMRMDSCRV-LTGZKZEYSA-N 373.478 3.813 30 40 FHEB C=CCn1c(SCC(=O)Nc2c(C)n[nH]c2C)nnc1C1CCCCC1 8231550 XIVVRUZGZIBAAC-UHFFFAOYSA-N 374.514 3.583 30 40 FHEB COc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCC2 13729778 VNVCTPWJLMYVGP-UHFFFAOYSA-N 365.433 3.591 30 40 FHEB COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1 5124350 TWKVYCAJZKUCQE-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB CC(C)/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 12649920 WHZQVLJKSAUXJS-QLBZYLJCSA-N 371.437 3.958 30 40 FHEB COc1ccc2nc(SC/C(=N\O)c3ccc(OC)c(OC)c3)[nH]c2c1 12285299 RLXPBROZTZZFQA-RCCKNPSSSA-N 373.434 3.559 30 40 FHEB C/C(=N/OCC(=O)Nc1ccccc1Br)c1cccs1 13139108 BQMDLLMGNYRMFD-YVLHZVERSA-N 353.241 3.890 30 40 FHEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 13718562 XGTPIFGKDGXQNB-ODGFMFMFSA-N 369.442 3.695 30 40 FHEB C#CCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 5128233 CDYSOBRGBZZSFD-VZUCSPMQSA-N 351.358 3.902 30 40 FHEB CCc1ccc(NC(=O)CSc2nc(C)cc(COC)c2C#N)cc1 4708783 TTYSLXASDDCMQD-UHFFFAOYSA-N 355.463 3.701 30 40 FHEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@@H](C)O2 18054446 LRYIVOPPHVXKTP-XCLFUZPHSA-N 350.418 3.771 30 40 FHEB CCc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3O)S2)cc1 408766545 VJZFQCJWCWNGFT-LFIBNONCSA-N 354.431 3.855 30 40 FHEB CCOC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)c1 409146164 JZXGMONOXKESSZ-HMAPJEAMSA-N 356.397 3.590 30 40 FHEB C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 219643899 KDMHXLPMICUUPN-IBGZPJMESA-N 373.474 3.536 30 40 FHEB CC(C)S(=O)(=O)c1ccccc1/C(O)=N/C[C@@]1(O)CCCC(C)(C)C1 331228203 BUZVUSRKMBWGGM-LJQANCHMSA-N 367.511 3.505 30 40 FHEB O=C1Nc2ccccc2/C1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 13616306 YRNUBJOVHKXWJS-UHFFFAOYSA-N 357.417 3.744 30 40 FHEB CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)c(C#N)c1C 5145240 YXTSZCUGJIQNKR-UHFFFAOYSA-N 371.443 3.967 30 40 FHEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 5425208 UOFOKSALTPLFTD-XIKOKIGWSA-N 366.808 3.940 30 40 FHEB CCOC(=O)[C@@H]1CCCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)C1 3293022 LYKJIJMVQMTGAH-CYBMUJFWSA-N 359.813 3.646 30 40 FHEB C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCC3 3471054 RRKKYTHOABGUAJ-UHFFFAOYSA-N 362.520 3.840 30 40 FHEB Clc1cccc(N/N=C/c2cccc(I)c2)n1 4550772 NGYILHUDQRTFPP-OVCLIPMQSA-N 357.582 3.786 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(C)c3C)S2)cc1 4704733 BUEVGUBMBUDCGQ-GZTJUZNOSA-N 355.463 3.932 30 40 FHEB Cc1sc2nc(C)n(N=C3C=CC(=O)C=C3)c(=O)c2c1-c1ccccc1 5276900 PQESMTCQHDPRNK-UHFFFAOYSA-N 361.426 3.641 30 40 FHEB N#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 12874069 FMSBLDNERBOXDB-UHFFFAOYSA-N 364.829 3.704 30 40 FHEB CN(C)CC(CN(C)C)C(=O)/C=C\c1ccc(OCc2ccccc2)cc1 17140407 ZSEBEHIYUDUVEO-QINSGFPZSA-N 366.505 3.587 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 20034893 QXAQFUZFDJICML-CQSZACIVSA-N 370.474 3.730 30 40 FHEB Cc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608760 JETYKKUCMMUNER-ORAYPTAESA-N 364.380 3.734 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccccc1)n1ncnc1N2 28464433 GUAFLLGHXZSNPN-NRFANRHFSA-N 372.428 3.879 30 40 FHEB COc1ccc(C(=O)/C=C2/C(=O)Nc3ccc(Br)cc32)cc1 31723478 QGBUWAJLMMCNQF-NTEUORMPSA-N 358.191 3.676 30 40 FHEB COc1ccc(/N=C(O)/C(C#N)=N/Nc2cccc(C(=O)O)c2)cc1Cl 33497427 IHIVOBHQPXZLLU-HYARGMPZSA-N 372.768 3.626 30 40 FHEB CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2cccc(C#N)c2)n1 79051100 YTOOTZPEAIDZKW-UHFFFAOYSA-N 374.466 3.993 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 100562455 PWLMDOCRAWILST-FQEVSTJZSA-N 368.477 3.674 30 40 FHEB N#Cc1cccc(CN2[C@H]3CC[C@H]2[C@]2(CCN(c4ccccc4)C2=O)C3)c1 306133708 MTFJBHPQVAUKQU-FUDKSRODSA-N 357.457 3.718 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@H]21 57068316 ZSUNPDNTZRFPDR-FYINFDKHSA-N 356.514 3.773 30 40 FHEB C(=N\N=C(N/N=C\c1ccccc1)N/N=C/c1ccccc1)\c1ccccc1 104128830 SSXKGMZGFGMDHX-KPNSODKRSA-N 368.444 3.624 30 40 FHEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100765810 JFDOWCHUCJOUET-RTBURBONSA-N 365.448 3.852 30 40 FHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 4629606 BUPKFBVRGOGNIQ-SFHVURJKSA-N 369.417 3.673 30 40 FHEB C=CCc1cc(/C=N\Cc2ccc(OC)cc2)cc(OC)c1OCC(=O)O 408851239 AOMZUFQQRFRWMZ-XKZIYDEJSA-N 369.417 3.515 30 40 FHEB CC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 85346715 FWOFANIWGXLCMN-VIZOYTHASA-N 353.128 3.514 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769815 VQZGNEQNVJDPTO-UHFFFAOYSA-N 350.418 3.644 30 40 FHEB Cc1ccc(C)c(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)c1 225842175 OADIXAQTBZGBDU-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB N#Cc1ccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c(O)c1 1190438536 PDUOKSIYZIWMJX-UHFFFAOYSA-N 374.278 3.585 30 40 FHEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5902040 HQGBEXGFWUNAHY-YVEFUNNKSA-N 373.478 3.899 30 40 FHEB C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@H]2C[C@@]1(C)Oc1ccccc12 100748925 OPCBTWZIBXRBKH-LQBOVUBWSA-N 362.429 3.552 30 40 FHEB biogenic CN(Cc1ccc(Br)s1)C(=O)NCC#Cc1ccccc1 32802832 KOXHDJAFHMRKSZ-UHFFFAOYSA-N 363.280 3.704 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 2055202 VHZGKMQDEWZMLC-LJQANCHMSA-N 369.461 3.949 30 40 FHEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(OC)c1OC 2591131 JUNUZQZFMFVYDC-LFIBNONCSA-N 370.430 3.604 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 5813369 BIZWRGNKWRATJH-UHFFFAOYSA-N 362.307 3.915 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 6782331 OENSUVZQKUMQDT-SFHVURJKSA-N 369.417 3.628 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2C1=O 8015800 XIAZAEWXCCYYMM-UHFFFAOYSA-N 358.756 3.513 30 40 FHEB COc1ccc(C(=O)ON=C2CCCCC2)cc1I 8493179 ZSKGAMOZFPGYKK-UHFFFAOYSA-N 373.190 3.777 30 40 FHEB O=S(=O)(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 15938751 BTAQNEHVSJWVFI-ODLFYWEKSA-N 360.822 3.511 30 40 FHEB C=CCSc1nnc(NC(=O)COc2cccc3ccccc23)s1 16007961 CFYVDSCFGBUCIX-UHFFFAOYSA-N 357.460 3.987 30 40 FHEB COC(=O)c1occc1/C=C/C(=O)c1ccc(F)c(Br)c1 32865778 MUCLKOASANWCHX-HWKANZROSA-N 353.143 3.864 30 40 FHEB N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c1 57994903 RCFTWTZJOJSHEJ-UHFFFAOYSA-N 362.454 3.996 30 40 FHEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccccc2)c1N 225838737 PNFPGYJOQQSEAS-UHFFFAOYSA-N 367.250 3.739 30 40 FHEB Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2/C(O)=N/CC(C)(C)c1ccccc1 328681482 CNKKXFMRVIQMAU-MOPGFXCFSA-N 364.493 3.932 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(OC)c1 408560983 SQZNBUHYAOFQMO-UHFFFAOYSA-N 360.483 3.546 30 40 FHEB C=C(Cl)COc1ccc2nc(C)n(-c3ccc(OC)cc3)c(=O)c2c1 12390993 OJNZCAXRCOYICH-UHFFFAOYSA-N 356.809 3.834 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C#N)c1C 871283 HXPNHRRNMABFIZ-UHFFFAOYSA-N 355.463 3.971 30 40 FHEB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)[C@@](C)(N=C(C#N)C#N)O1 3058512 PTGYOVVYWIEVNT-PXNSSMCTSA-N 351.406 3.620 30 40 FHEB CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O 4307137 JJUOFLIFEYHZFH-UHFFFAOYSA-N 367.445 3.834 30 40 FHEB Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 4649271 NPOHFNZYOXEJRK-NIPZQEADSA-N 352.415 3.927 30 40 FHEB N#Cc1csc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 329105105 OIEFSAUVZJYSQN-UHFFFAOYSA-N 350.447 3.591 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1nnc(CC)s1 5214683 NPJQRFLHDDJKHS-FGVJJGLWSA-N 372.475 3.596 30 40 FHEB N#Cc1cc(/N=N/c2snc3ccc(S(=O)(=O)O)cc23)ccc1O 16384313 DKPBOMXXGHGDSA-WUKNDPDISA-N 360.376 3.536 30 40 FHEB Sc1nnc(-c2ccccc2)n1/N=C\c1ccc(Br)cc1 4680268 IJWLJDZJESIQMV-YVLHZVERSA-N 359.252 3.879 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S 2119655 VGAXZUNCOYZVIE-XFFZJAGNSA-N 358.257 3.975 30 40 FHEB CC(C)(C)N/N=C/c1cc(Br)c(O)c(Br)c1 3275646 IEIZTDZZCSMIJY-MKMNVTDBSA-N 350.054 3.639 30 40 FHEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 3999056 OUCQPFCLFGZBQQ-PWRODBHTSA-N 353.418 3.678 30 40 FHEB CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 4028261 JQWISHUBSOEHDO-KJXAQDMKSA-N 370.513 3.564 30 40 FHEB CC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3n2CCC#N)CC1 8709022 VOHHPOFUNIKUFO-OAHLLOKOSA-N 356.495 3.689 30 40 FHEB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 9477469 JXQILNDZHNGKLX-NRFANRHFSA-N 365.408 3.835 30 40 FHEB CCOc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 13511343 PDFFMUWVLQHPCK-LNVKXUELSA-N 363.461 3.996 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 16682316 ZRXCTFXPDWAFIQ-XNTDXEJSSA-N 357.793 3.950 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccnc1O[C@H]1CCSC1 225726371 BPLWEBGKAZAKOT-ZDUSSCGKSA-N 359.838 3.743 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1 409106302 KXDLXMUYVIRFNK-YBFXNURJSA-N 373.344 3.688 30 40 FHEB CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 1397233 NZUDJYXIEXZSKT-SILNSSARSA-N 363.200 3.807 30 40 FHEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 8729516 WANQQTDUDBFUNN-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc(Cl)c1Cl 2284423 VWKCWEATUZDERD-NSHDSACASA-N 352.246 3.850 30 40 FHEB COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCC#N)cc1)N(C)CC2 2500357 AXPKCHVXKOSJDD-HXUWFJFHSA-N 366.461 3.768 30 40 FHEB biogenic CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 4505550 KRRKWZZTAIQQGT-OAHLLOKOSA-N 365.433 3.588 30 40 FHEB Clc1cnc(N/N=C/c2ccc(N3CCOCC3)cc2)c(Cl)c1 6548080 VYQUCSJGFADIFM-KEBDBYFISA-N 351.237 3.671 30 40 FHEB COc1ccc(CN/N=C/c2ccc(-c3ccccc3C#N)o2)cc1OC 20195900 LEVQFNHCJHMAKF-ZVHZXABRSA-N 361.401 3.959 30 40 FHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(O)c2)S1 408873145 NOYRPWLEHBDQQS-NVNXTCNLSA-N 360.822 3.946 30 40 FHEB N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1cccc(F)c1 223676977 PUBHFMCULGSRLB-UHFFFAOYSA-N 350.422 3.953 30 40 FHEB C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)c1ccoc1CC)C2 1775990404 FRYHSEWUKHGQSA-BCDXTJNWSA-N 370.493 3.535 30 40 FHEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)Nc2ccc(C)c(C)c2)c1 8190143 MWUZVYCGGXPTPP-HYARGMPZSA-N 354.479 3.972 30 40 FHEB N#Cc1ncccc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 2298066425 RUMCPRMXFOIBPV-UHFFFAOYSA-N 363.339 3.900 30 40 FHEB N#CC1(NC(=O)CSc2ccc(C(F)(F)F)cn2)CCCCCC1 42698032 YUODAUOYYOYHMV-UHFFFAOYSA-N 357.401 3.925 30 40 FHEB CN1C(=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(C)(C)c2ccccc21 3251619 QESKOTLZPJARBH-UHFFFAOYSA-N 365.273 3.931 30 40 FHEB Cc1ccc(SCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 3362158 JFNBPWLWKZXKJL-UHFFFAOYSA-N 354.431 3.531 30 40 FHEB CCc1cc(=O)oc2c3c(cc(OC/C(O)=N/C4CC4)c12)OC(C)(C)CC3 4089844 ZYUDDSCUGFXAKK-UHFFFAOYSA-N 371.433 3.957 30 40 FHEB biogenic N#Cc1c(-c2ccco2)nc2n(c1=O)CN(c1ccc(Cl)cc1)CS2 13690668 RFUZJBRFISGVQK-UHFFFAOYSA-N 370.821 3.556 30 40 FHEB N#CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 408915482 WCAHHTRLMFOTOT-UHFFFAOYSA-N 368.186 3.814 30 40 FHEB CC(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(C#N)cc1 6549496 PRCFYCOAYKOBDT-KRWDZBQOSA-N 351.793 3.566 30 40 FHEB CC[C@@H](C)n1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409366663 UEYBISKTYRSEKK-CQSZACIVSA-N 360.417 3.910 30 40 FHEB O=S1(=O)CC/C(=N/Nc2ccccc2C(F)(F)F)c2cc(F)ccc21 33042631 XMOBUZDRRRVCNY-BKUYFWCQSA-N 372.343 3.838 30 40 FHEB CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408996842 KEGZSGGXCLZJNU-WJDWOHSUSA-N 368.418 3.552 30 40 FHEB N#Cc1cccc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 75165897 OITVSGONONODKR-RBUKOAKNSA-N 363.417 3.848 30 40 FHEB C=CCNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 257331733 XUAOJOLRPYOTQY-JOCHJYFZSA-N 369.436 3.895 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(C)C2=O)c(C)c1 1411611 KQDGRFGVLJVEQJ-QBEKEKFNSA-N 367.474 3.894 30 40 FHEB CC(C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 5633306 VTMBQXBMZVAOJR-CABCVRRESA-N 372.490 3.971 30 40 FHEB CCOC(=O)/C(=C\n1c(=S)[nH]c2ccccc21)C(=O)c1ccccc1 5734039 PLJNLLYOTQEQHN-OWBHPGMISA-N 352.415 3.986 30 40 FHEB CC(C)(C1=CC(=O)c2ccccc2C1=O)C1OCC2(CO1)C[C@@H]1C=C[C@H]2C1 12401161 TTZJTCPHAMSKFF-JCVFOFLASA-N 364.441 3.974 30 40 FHEB CCOc1cccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)c1O 15658678 YMCJITJIFZEYKQ-STZFKDTASA-N 359.857 3.600 30 40 FHEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1 18058493 AGYGOUJHDNRCMS-HYARGMPZSA-N 361.449 3.551 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 6843863 PWWDVVWRWFYOHM-AZUAARDMSA-N 365.385 3.914 30 40 FHEB C/C(=C\c1ccccc1)[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 105304199 SLMBFNKRZZTIAJ-ZOZKYVBCSA-N 372.428 3.926 30 40 FHEB N#C[C@@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 41555818 JJJFYSHQEKEIBL-OAHLLOKOSA-N 373.334 3.939 30 40 FHEB Cc1ccc(CN2C(=O)/C(=N\OC(=O)CC(C)C)c3ccccc32)cc1 3064103 YTACJHYTKLBSTL-XDOYNYLZSA-N 350.418 3.835 30 40 FHEB Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C#N)c(C)c1C 7060014 QKGQIZXFYQNKMB-OAHLLOKOSA-N 356.495 3.702 30 40 FHEB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC1(C#N)CCCCC1 7130399 VBEAAXVWVOQUPS-OAHLLOKOSA-N 368.506 3.910 30 40 FHEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@@H](C)c1cccs1 12567826 HTJLKTJOXUJGRF-RYUDHWBXSA-N 352.419 3.645 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2ccc(O)cc2)CC1 12787122 DXLXPUNTCCYFOT-UHFFFAOYSA-N 369.852 3.735 30 40 FHEB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sccc1C#N 24829618 GWRINHUQZCLAMJ-VIFPVBQESA-N 374.422 3.928 30 40 FHEB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)/C(=N/O)S1 36633746 VPENRRTVRRIZGF-GICLCMKGSA-N 366.402 3.596 30 40 FHEB Cc1c(NCc2ccccc2CN2CCCC2)cc(C#N)cc1[N+](=O)[O-] 40122913 JVXOQZSFLYQRLF-UHFFFAOYSA-N 350.422 3.983 30 40 FHEB C[C@@H](C#N)CN(C)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 58356290 NPAJQTPPVTUXNI-AWEZNQCLSA-N 367.405 3.618 30 40 FHEB COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)Cc3ccccc3)s2)cc1 89455374 DFTFDJVZOLLSBU-MRXNPFEDSA-N 363.442 3.683 30 40 FHEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccccc1CC)C2 96229948 NQEKWZSOMPDNII-OAQYLSRUSA-N 355.482 3.814 30 40 FHEB CCCCCCC[C@H](O)CCC(=O)OCc1cc(=O)n2cccc(C)c2n1 101456520 OZQDYFCDRQNWIK-SFHVURJKSA-N 374.481 3.548 30 40 FHEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 12414013 FVZRWFFFQHNCRW-SFQUDFHCSA-N 353.447 3.653 30 40 FHEB COc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 917563 IAWPWLNAHWWYGM-UHFFFAOYSA-N 355.463 3.656 30 40 FHEB C=CCSc1nnc(CC(OC)OC)n1-c1cccc(C(F)(F)F)c1 3189652 CSFKOIXWUMWJEV-UHFFFAOYSA-N 373.400 3.726 30 40 FHEB CCCCCCC/C(=N\NC(N)=S)c1c(C)nn(-c2ccccc2)c1O 100933952 KBLSJXWUVURMJW-LTGZKZEYSA-N 373.526 3.784 30 40 FHEB N#Cc1cnn2c(O)cc(CSc3nc(-c4ccccc4)cs3)nc12 48332902 KDQMIMSOBGVYQU-UHFFFAOYSA-N 365.443 3.722 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl 6620121 HRTNNRCRFWPCRM-MEBBXXQBSA-N 373.678 3.924 30 40 FHEB Cc1ccc(C#N)cc1NC(=O)COc1ccc(Br)cc1F 63960843 TYLHDAJRZMYMEG-UHFFFAOYSA-N 363.186 3.786 30 40 FHEB Cc1cc(C)n(/N=C/c2cccc(OCc3ccccc3)c2)c(=O)c1C#N 672438 MLAOOMAIYYOFNB-ZVHZXABRSA-N 357.413 3.798 30 40 FHEB CN1C(=O)N[C@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O 4387418 UXNIXNGJGZCGDQ-OAHLLOKOSA-N 363.255 3.788 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)sc2c1CCC2 4504964 ZZMPXIQXIMGMMD-HNNXBMFYSA-N 371.849 3.894 30 40 FHEB N/C(=N/[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 4530351 PMPFWKPYRXLKHP-OAHLLOKOSA-N 370.667 3.518 30 40 FHEB CC(C)Cc1ccc([C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 725712363 BLTRYGIOMYBGNH-AWEZNQCLSA-N 351.402 3.743 30 40 FHEB COc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(C)C1=O 100260755 JUQZSVKJWFINEH-NIPZQEADSA-N 368.414 3.627 30 40 FHEB CN(C(=O)COc1ccc(Br)cc1F)C1(C#N)CCCCC1 21276164 DJRDESDTENOESG-UHFFFAOYSA-N 369.234 3.652 30 40 FHEB O=C(ON(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 3065573 SOCMUNGQIQQHSA-UHFFFAOYSA-N 353.399 3.654 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3238044 QZFKZOJINJMHDB-UHFFFAOYSA-N 366.392 3.691 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 3308509 WOSJGGOZWQXCBE-UHFFFAOYSA-N 370.408 3.872 30 40 FHEB N#CCCN(C(=O)COC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 4563566 AKYPNBNWOIWWFE-UHFFFAOYSA-N 366.348 3.676 30 40 FHEB O[C@@H](CNC1CCCCC1)CO/N=C1\CCSc2c(Cl)cccc21 5648348 QSXLOGLVOHQEID-HGNXGAGXSA-N 368.930 3.840 30 40 FHEB Cc1cc(=O)[nH]c(N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 12601227 RRSNHUXLJZJYMP-KEBDBYFISA-N 355.829 3.585 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccccc2s1 12891684 IAQTZUNXCNCXPY-UHFFFAOYSA-N 353.451 3.595 30 40 FHEB C[C@H](/N=C(\S)Nc1ccccc1)[C@@H](c1cccs1)N1CCOCC1 13878786 YALMUZHUZWPMBX-YOEHRIQHSA-N 361.536 3.908 30 40 FHEB Cc1occc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 17276093 GVULPVKJEMSCOZ-UHFFFAOYSA-N 358.419 3.586 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 23220069 BKZHKCXQEHTTQR-CXAGYDPISA-N 355.404 3.580 30 40 FHEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 89420060 FSANAFYMWXPMME-YOEHRIQHSA-N 370.836 3.659 30 40 FHEB Cc1ccc(S(=O)(=O)/N=C2/SC(C)(C)C(=O)N2c2ccccc2)cc1 101219146 AEFJOGORWHOEBN-HTXNQAPBSA-N 374.487 3.598 30 40 FHEB CC/N=c1/scc(-c2cccs2)n1/N=C/c1cc(OC)ccc1O 102928704 OWOYGCFFKYXLAG-AMTOVTBASA-N 359.476 3.795 30 40 FHEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OC 108101288 TXCBZUQAWFFPMJ-CQCSDLFSSA-N 360.460 3.968 30 40 FHEB Cc1cc(OCC(=O)Nc2ccc(CC#N)cc2)ccc1Br 218822120 CGRJIRPNBFVRFI-UHFFFAOYSA-N 359.223 3.841 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252517000 YRKGDMLBZLAJFA-VAMGGRTRSA-N 373.449 3.620 30 40 FHEB CCN([S@+](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 6891409 BELAECAGMQKEOI-NRFANRHFSA-N 356.920 3.881 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 1424130 AYTAKYRWGVPCKS-QGZVFWFLSA-N 354.450 3.639 30 40 FHEB CN(C)c1ccc([N+]([O-])=C/C=C/C=[N+]([O-])c2ccc(N(C)C)cc2)cc1 104076406 DHDBZHMVWRZRPO-VURCQBBJSA-N 352.438 3.500 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 2055161 YZIBORGQMJCCMQ-IBGZPJMESA-N 355.434 3.616 30 40 FHEB CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 4813925 FBCHEXQHFNBKGV-UHFFFAOYSA-N 352.463 3.803 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(Cl)cc2)o1 409409825 XNHADTYHXKWWHB-DSIZOQBWSA-N 366.804 3.741 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2O)C[C@@H]1c1ccc(OC)cc1 34600537 DXKGQBZQPLPKPY-WIYYLYMNSA-N 366.413 3.720 30 40 FHEB C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCNC1 72391928 GYKQZZHEFADJJH-QFIPXVFZSA-N 352.453 3.707 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(N(C)C)cc3)C2=O)s1 137716462 JNPPKXGUMXGJCP-OCLZBJRFSA-N 358.492 3.584 30 40 FHEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc3ccccc3o1)C2 96039750 KZIDOBSEQSAOPA-FPOVZHCZSA-N 355.434 3.647 30 40 FHEB COCCN(C(=O)c1cscc1C(F)(F)F)c1ccc(C#N)cc1 598815417 RUJHPEZXDOSESI-UHFFFAOYSA-N 354.353 3.932 30 40 FHEB CCOP(=O)(OCC)[C@H](/N=C1/C(=O)Nc2ccccc21)C(F)(F)F 16688020 JJWHCDKBXZINDL-ZDUSSCGKSA-N 364.260 3.582 30 40 FHEB Cc1cc(C)n(CCCNc2cc(C)c(C#N)c3nc4ccccc4n23)n1 22534763 RHSARAUHCIWKQK-UHFFFAOYSA-N 358.449 3.983 30 40 FHEB C=CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Cc1cccs1 23804915 OZYMFSWWCJXOOV-UHFFFAOYSA-N 357.504 3.723 30 40 FHEB COc1ccccc1C(=O)NCCNc1nc2c(C)cc(C)cc2cc1C#N 35313049 AROOZNGRXQYGQD-UHFFFAOYSA-N 374.444 3.574 30 40 FHEB Cc1cccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 59105260 SSEPOMYRRVXDSM-OEAKJJBVSA-N 361.445 3.559 30 40 FHEB O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CNC1CCCCC1 94993395 VREVPBZEHUEAOO-UNOMPAQXSA-N 350.418 3.826 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 101231686 USSFDQLHRYNQHI-GHNGSUTGSA-N 351.377 3.742 30 40 FHEB C[C@]12OC(=N)[C@@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 102676082 MYHXPTPDSAEKDZ-XHYAQGIWSA-N 368.396 3.809 30 40 FHEB COc1cc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408730513 HCHMTEQSRTVSLK-LJQANCHMSA-N 352.390 3.535 30 40 FHEB C=CCc1cc(/C=N\c2ccc(OC)cc2)cc(OC)c1OCC(=O)O 408843536 FUMLXKLTGXVPID-MTJSOVHGSA-N 355.390 3.646 30 40 FHEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccccc1O 716050 SDSDLMYECOVHLV-OEAKJJBVSA-N 371.396 3.563 30 40 FHEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccc(F)cc2)n1 8558920 CAFJDMDZGJULPZ-WLRWDXFRSA-N 352.413 3.552 30 40 FHEB CC1=NN(c2ccccc2)C(=O)/C1=N/OC(=O)Nc1ccc(Cl)cc1 100149886 BVFBENOUJACAMP-RCCKNPSSSA-N 356.769 3.667 30 40 FHEB N/C(=N/OCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1 58032326 HEDKTXCLIUYKAF-UHFFFAOYSA-N 367.380 3.729 30 40 FHEB Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 12882338 KXMBRDWMHUHPBE-UHFFFAOYSA-N 367.459 3.658 30 40 FHEB C=CCn1c([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721384 YXDBITPMJHLGNN-AWEZNQCLSA-N 365.433 3.731 30 40 FHEB CCn1cc(Br)c(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)n1 6243871 ISSHFFVIQCHCFF-BQYQJAHWSA-N 371.238 3.747 30 40 FHEB COc1cc(C#N)ccc1OC(=O)CCCOc1ccc(C(C)=O)cc1 15988466 RZPWJWCCCFAKAE-UHFFFAOYSA-N 353.374 3.534 30 40 FHEB N/C(=N\C[C@@H]1CCCO1)SCc1cc(=O)oc2ccc3ccccc3c12 7665457 KMQBQLLDLGDGSE-HNNXBMFYSA-N 368.458 3.673 30 40 FHEB N#C[C@H]1C(=O)NC(=O)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 28465184 FEHVOEHVPWXOMC-HOCLYGCPSA-N 365.458 3.640 30 40 FHEB N#Cc1nnc2ccccc2c1Sc1nnc2sc3ccccc3n12 97212592 VALCUOQLJFIDOS-UHFFFAOYSA-N 360.427 3.910 30 40 FHEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc4ccccc34)C2=O)cc1 408536338 QYHTWJOTVJRKDI-GOSISDBHSA-N 371.396 3.750 30 40 FHEB CC(C)c1nc(C#N)c(N/N=C\c2coc3ccc(Cl)cc3c2=O)o1 34988217 SSURSAARZQDJMH-SCDVKCJHSA-N 356.769 3.875 30 40 FHEB Cc1ccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)cc1C 225842996 XDFUFNJZPVGJAC-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)Nc1ccccc1 225859848 AJVRKKVMIWMTSA-UHFFFAOYSA-N 364.836 3.825 30 40 FHEB CCO[C@@H]1C[C@@H](/N=C(/O)N2CCC(Cc3cccnc3)CC2)C12CCC2 329107775 IDLNMBWDAOJEEQ-RTBURBONSA-N 357.498 3.598 30 40 FHEB C=C(C)[C@@H]1CCC2=C[C@@H](C[C@@]3(C)O[C@H]3c3cc(C(=O)OC)c(o3)C1)OC2=O 5158339 PPHCYWKQJLNLQQ-RYWIOVNQSA-N 372.417 3.667 30 40 FHEB biogenic Cc1cs/c(=N\N=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)[nH]1 16666543 AMOSTXCFIHKUFM-KEBDBYFISA-N 355.394 3.678 30 40 FHEB S=C(N/N=C1/C=Cc2ccccc2C1)N/N=C1/C=Cc2ccccc2C1 16954534 NVRNVDLEMWZIJG-IKJQKJQYSA-N 358.470 3.702 30 40 FHEB N#C[C@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 28896336 YZXZCUAMBYLKCL-RXXSEBCPSA-N 363.505 3.612 30 40 FHEB COCCNc1nc(Nc2ccc(C)cc2)c(C#N)c2c1COC(C)(C)C2 20590454 VPHHKZBEWXRJBG-UHFFFAOYSA-N 366.465 3.915 30 40 FHEB COC(=O)C[N+]1=C(C)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1802988 ZWSKQYINLNUCMK-GOSISDBHSA-O 374.258 3.568 30 40 FHEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O 2622393 KQXZRBCWJCLABH-UHFFFAOYSA-N 367.474 3.513 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1 3276829 OKSFNMZZGILCOI-HNNXBMFYSA-N 357.822 3.630 30 40 FHEB in-vitro Cc1cc(-c2ccncc2)c(C#N)c(SCC(=O)n2nc(C)cc2C)n1 4457564 DKFALSOLCIKVQC-UHFFFAOYSA-N 363.446 3.570 30 40 FHEB CCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1 5790815 WXIAPDQHCQQEEP-UHFFFAOYSA-N 363.509 3.790 30 40 FHEB C=CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347645 PAVNCCIQFMHCJD-INIZCTEOSA-N 365.433 3.881 30 40 FHEB COc1cc(/C=C/C2=CC(=O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 13415038 IZLBLUIBVMGMIY-NAASZUNDSA-N 368.385 3.743 30 40 FHEB endogenous,in-man CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 18195528 HOLKFDVAPUELIM-INIZCTEOSA-N 352.438 3.526 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(C[C@H](C)CC1=O)N2 19959562 ASAMBBYHVUAXDZ-APPDUMDISA-N 370.478 3.667 30 40 FHEB C=CCc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(OC)c1OC 28665522 QFYIZAJFBRHCAT-KRWDZBQOSA-N 353.418 3.686 30 40 FHEB CCOc1cc2c(cc1O)/C(=N\OC)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 32068745 UEBKXOVVEDPLRF-ILIWXUAGSA-N 359.466 3.816 30 40 FHEB CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 47533921 DKLOAEHRBOXVNI-LBPRGKRZSA-N 366.396 3.959 30 40 FHEB Cc1c(NC[C@H](O)c2ccccc2C(F)(F)F)cc(C#N)cc1[N+](=O)[O-] 68998180 YTTXMSOXRBGNHC-INIZCTEOSA-N 365.311 3.939 30 40 FHEB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 69166177 XTOLEDCEVGBJFX-CABCVRRESA-N 354.479 3.754 30 40 FHEB C=CCOc1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)cc1 225799076 OSZIWRNBCDDAAV-UHFFFAOYSA-N 371.506 3.683 30 40 FHEB COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 1051176 WTBFRVSQYZMMHZ-YPAWHYETSA-N 369.424 3.686 30 40 FHEB COc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 3893812 GJSZIRGDKVNMQC-LJQANCHMSA-N 357.409 3.997 30 40 FHEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2C1=O 6847792 KBFJPBABWKRVOE-UHFFFAOYSA-N 358.756 3.513 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@@H](C)C2 12564480 TYPJKPDEERSABD-KBPBESRZSA-N 365.433 3.719 30 40 FHEB C[C@@H](/N=C(\S)Nc1ccccc1)[C@@H](c1cccs1)N1CCOCC1 13878785 YALMUZHUZWPMBX-PBHICJAKSA-N 361.536 3.908 30 40 FHEB N#Cc1ccccc1NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 44054045 UFLCANHVGQKQCC-QGZVFWFLSA-N 367.474 3.642 30 40 FHEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 89420061 FSANAFYMWXPMME-PBHICJAKSA-N 370.836 3.659 30 40 FHEB N#C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 95348918 DAPBDOMOSGVELD-NSHDSACASA-N 364.236 3.557 30 40 FHEB CN(C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccccc1 100542992 DZSDKEJQEMTIGB-MPOVVXLQSA-N 368.418 3.675 30 40 FHEB C[C@H]1COc2ccccc2CN1/C(O)=N/CCc1nc2c(s1)CCCC2 329299524 LZWJMRPTKANACL-AWEZNQCLSA-N 371.506 3.762 30 40 FHEB N#CCOc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409007983 TXPUEWMDLZIPMJ-JXAWBTAJSA-N 364.426 3.868 30 40 FHEB O=C(COc1ccc(/C=N/c2cccc3ccccc23)cc1)N1CCOCC1 409241773 YMOADDJCOJDVHM-LFVJCYFKSA-N 374.440 3.828 30 40 FHEB N#C[C@H]1CCCC[C@H]1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 598097873 VIOBJVWQAMXCQA-IAQYHMDHSA-N 365.246 3.818 30 40 FHEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1O 59135040 CBFHBDAKKGMEEQ-LFIBNONCSA-N 366.348 3.767 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 9198159 RPFDANPBUAWQFU-UHFFFAOYSA-N 369.837 3.728 30 40 FHEB COC(=O)c1cc(N/C=C/C(=O)c2cc(C)ccc2C)cc(C(=O)OC)c1 44844473 WXFYTPZFAQIWRX-BQYQJAHWSA-N 367.401 3.685 30 40 FHEB COc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1 27793009 SWHLTAXXDJJEHU-INIZCTEOSA-N 352.394 3.530 30 40 FHEB C=CCn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 9048896 LTGOAZFHOFMWDU-UHFFFAOYSA-N 354.222 3.633 30 40 FHEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1N1CCOCC1 409099668 SQNGYMVCTJFQBZ-FOKLQQMPSA-N 364.371 3.691 30 40 FHEB C=CCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408708158 HFHPZBOOPNPIQJ-UHFFFAOYSA-N 358.482 3.911 30 40 FHEB COC[C@@H](C)Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225877569 IUORQGRYLGCZNP-SNVBAGLBSA-N 354.237 3.711 30 40 FHEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccccc1 224675539 SLYGJEWRBGLKLS-UHFFFAOYSA-N 365.838 3.508 30 40 FHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 223348041 FSADEYFUURXHRZ-UHFFFAOYSA-N 374.535 3.667 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5851072 XIYDRYGMQHZLNH-MRXNPFEDSA-N 371.780 3.759 30 40 FHEB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1ccc(C#N)cc1 32672171 PZMXCTKUVNJQMM-ZDUSSCGKSA-N 372.402 3.569 30 40 FHEB N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)c1 671013 VMXXIZGHSGGNGK-UHFFFAOYSA-N 366.380 3.935 30 40 FHEB CN(C)CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N 2428072 YBPMOMUPZJVNKF-UHFFFAOYSA-N 362.433 3.766 30 40 FHEB N#CCCN(C(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1 2617680 GJYAVOCKMPFPPS-UHFFFAOYSA-N 354.410 3.741 30 40 FHEB Cn1c(-c2ccccc2)c(Br)c(C(F)(F)F)c(C#N)c1=O 3171893 JHGQNJWZIFCPPO-UHFFFAOYSA-N 357.129 3.705 30 40 FHEB Cc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccc(F)cc1 4181286 SOGQQXQTDSPJHK-KEBDBYFISA-N 363.356 3.650 30 40 FHEB CCOc1cc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)ccc1O 4679783 HSZJUIKSZCWQCN-GRSHGNNSSA-N 374.853 3.874 30 40 FHEB C[C@H]1CC[C@]2(C)C(C(=O)O)=CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H](C)CC(=O)O 14619168 XKXZAYIPFRBKHT-MAUOSDCHSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(O)cc2)cc1 19138115 FTYZXPDMJLXIDB-LJQANCHMSA-N 365.429 3.935 30 40 FHEB O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(O)c(Br)c1 96121209 MDMBHRSXXGPXID-MDWZMJQESA-N 367.268 3.657 30 40 FHEB Cc1cc(C)nc(N/N=C\C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=O)n1 100125894 UWJSHNXLMLDXFZ-YYLUKMIBSA-N 354.385 3.589 30 40 FHEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OCC)cc1 224602149 MKBMDHZIDJQVSJ-UHFFFAOYSA-N 353.390 3.745 30 40 FHEB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(CC#N)cc1 225786166 NHLFRLZQQHOIEX-CQSZACIVSA-N 355.463 3.515 30 40 FHEB Cc1ccc(S(=O)(=O)OCCC(F)(C(F)(F)F)C(F)(F)F)cc1 1083812562 SGUHRWJGWFCPDE-UHFFFAOYSA-N 368.270 3.923 30 40 FHEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)C 4103268 HWBAHSWPYPPHEV-IBGZPJMESA-N 365.429 3.930 30 40 FHEB C=CCNc1sc(N)c(C#N)c1C(=O)c1ccc(Br)s1 5631260 UWKCABAZXGVMAB-UHFFFAOYSA-N 368.281 3.855 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6333094 BLPUTPXGTIXOCR-UHFFFAOYSA-N 352.724 3.831 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl 6620124 HRTNNRCRFWPCRM-ZUZCIYMTSA-N 373.678 3.924 30 40 FHEB C#CC(CC)(CC)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 12525609 XGLYBNJEWJKLDM-UHFFFAOYSA-N 351.475 3.914 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608764 JETYKKUCMMUNER-DJJJIMSYSA-N 364.380 3.734 30 40 FHEB N#CCCn1cc(-c2csc(CCN3CCOC3=O)n2)c2ccccc21 59742836 WKWPLLXCEQQBOX-UHFFFAOYSA-N 366.446 3.673 30 40 FHEB CN1C(=O)CS/C1=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100264159 YFQUUOUGTGFJTK-WUKNDPDISA-N 359.432 3.939 30 40 FHEB C=CCOc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225730758 LFNUWRUZYGZFMJ-CALCHBBNSA-N 361.555 3.906 30 40 FHEB Cc1cccc(Cn2nc(OCc3cccc(Cl)c3)c(C#N)c2N)c1 225845303 YPHABFFFIJFBHK-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc3ccccc23)C1=O 408537350 VKGHBGJYDOHJDV-KRWDZBQOSA-N 371.396 3.750 30 40 FHEB N#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409349083 QPZGENWOIBUJQN-JXAWBTAJSA-N 364.426 3.868 30 40 FHEB Cc1cc2cc(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 883083 GQMIXBBWFGBZIM-MRXNPFEDSA-N 363.392 3.605 30 40 FHEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(N2CCCC2)o1 1053573 XUAGCAQPRHCZHT-RVDMUPIBSA-N 357.410 3.911 30 40 FHEB C=CCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2234485 ZUVYDXJSYUWIMB-UHFFFAOYSA-N 358.401 3.807 30 40 FHEB COc1cc(-c2cc3nc4ccccc4n3c(N)c2C#N)cc(OC)c1OC 5827039 IJKHKTVWSJFHPW-UHFFFAOYSA-N 374.400 3.634 30 40 FHEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccc(C)cc2)c(OC)c1 12374175 QMIATNNBUGHDBG-XKZIYDEJSA-N 369.490 3.978 30 40 FHEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cc[n+](Cc3ccccc3)cc1)C2 26576369 UCJOMTSRQPQWLO-UDWIEESQSA-N 372.444 3.862 30 40 FHEB in-vitro O=C(O)CSc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1F 54802514 ROWZXPROQMYOMN-GQCTYLIASA-N 374.389 3.670 30 40 FHEB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 66336782 DDMITVAQPIYTRU-GASCZTMLSA-N 370.453 3.595 30 40 FHEB CCCOc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OC 96792618 VXLZPVPELFXSMN-PTNGSMBKSA-N 372.442 3.538 30 40 FHEB O=C1N(Cc2ccccc2)[C@@H]2C[S@@+]3CCC[C@H]3[C@H]2N1Cc1ccccc1 100308855 CHQOEHPMXSHGCL-VSCPTIONSA-N 365.522 3.656 30 40 FHEB world CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 101662302 CHAYZVUBOBGAQY-NRFANRHFSA-N 373.497 3.913 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc2c(cc1Cl)OCO2 409034120 NFABJAKIXGLXMR-BIMFAAKUSA-N 366.620 3.783 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(C(F)(F)F)cc1 1421888 ZKIDLZUXOXQDTH-HNNXBMFYSA-N 362.355 3.955 30 40 FHEB COc1ccc([C@@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 58306431 AGZWLIQHGVBXBE-LJQANCHMSA-N 363.413 3.883 30 40 FHEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C 66867503 VVDRCKIGJUQCPC-MRXNPFEDSA-N 355.401 3.762 30 40 FHEB O=C1/C(=C/c2ccco2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419178 FOQHNJNTXOWWFU-WQRHYEAKSA-N 368.366 3.664 30 40 FHEB Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(CN4CCCC4)cc3)[nH]c12 554322706 KLRHHJPZGIVOPG-GOSISDBHSA-N 358.445 3.957 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C#N 225773730 XPCDEESFGWAHBW-UHFFFAOYSA-N 364.445 3.952 30 40 FHEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)c1 1775971803 VGGVJIWQOYEZRO-OAHLLOKOSA-N 370.840 3.930 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3ccc4ncccc4c3)CC2)OC1(C)C 1776000389 ZVYOBRWMXQLYQH-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB COc1ccc(/C=N/NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1097880 PIUABZQSATYPDQ-FYJGNVAPSA-N 369.490 3.631 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c(C)c1 5698136 PRGCCAZNKCELDH-SXGWCWSVSA-N 369.402 3.809 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1 12219321 VQGQUXXOHUOLRP-LIMIJEPZSA-N 365.448 3.852 30 40 FHEB Cc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(CCCC2=O)N3)cc1 4189664 KRXRSEFQAOJBLC-LJQANCHMSA-N 357.417 3.671 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C1/C[C@H]2CC=C[C@H]12 32699308 XHPDWJSGYWOSEX-WLDXGNQXSA-N 356.260 3.886 30 40 FHEB C=CCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 2668111 MEUWIRROUUKAJA-UHFFFAOYSA-N 370.474 3.804 30 40 FHEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c1 4811339 JUPQYTORKCHMOD-YBFXNURJSA-N 351.318 3.999 30 40 FHEB C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 7065432 JEPJBUPXKPLGTM-CQSZACIVSA-N 367.474 3.817 30 40 FHEB CCOc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1OC(F)F 7503235 XTOZZRUPIFMXMC-GQCTYLIASA-N 366.316 3.550 30 40 FHEB COC(=O)c1c(C)[nH]c(C2=NN/C(=N\C3CCCCC3)S[C@H]2C)c1C 7779482 MKXDOXBFSVMKLQ-LBPRGKRZSA-N 362.499 3.536 30 40 FHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)c(OC)c1OC 13721634 FHCUSFPBOZPJIO-INIZCTEOSA-N 370.405 3.573 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 14022783 ZDKBLIIPZWDQEC-LJQANCHMSA-N 352.434 3.707 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl 17949157 ZGWLRZNKDSJIEB-GOSISDBHSA-N 355.821 3.867 30 40 FHEB C=CCSc1nnc(NC(=O)Cc2coc(-c3ccccc3)n2)s1 27448342 GDPYDWZSGWLRLC-UHFFFAOYSA-N 358.448 3.652 30 40 FHEB C=CCn1c(SCc2ccc(F)cc2)nnc(-c2ccccc2)c1=O 28537563 LLSIJFSQCAZCKX-UHFFFAOYSA-N 353.422 3.923 30 40 FHEB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C#N)cc1F 32860258 SSVLWLWOABDQMQ-LLVKDONJSA-N 360.366 3.830 30 40 FHEB Cc1noc2nc(C3CC3)cc(C(=O)OCc3cn4ccccc4c3C#N)c12 32899121 YTIZLWGJADBAEP-UHFFFAOYSA-N 372.384 3.890 30 40 FHEB Cc1ccccc1N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 38160406 XOZSBNXQARDXKE-LZYBPNLTSA-N 350.172 3.817 30 40 FHEB CCN(C(=O)NCc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 40151629 ZOOGQZAYOIXIGJ-AWEZNQCLSA-N 351.406 3.580 30 40 FHEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)c2ccccc2)=N1 57401670 IATCLMGZMHEEPJ-UHFFFAOYSA-N 365.458 3.853 30 40 FHEB CN1C(=O)/C(=C\Nc2ccc(Br)cc2)C(=O)c2ccccc21 101075667 MQAXLGMDRCQKEQ-UVTDQMKNSA-N 357.207 3.604 30 40 FHEB COc1cc2c(cc1/C=C1/SC(=Nc3ccc(C)cc3)NC1=O)OCO2 408960619 HHGMPTGTDAHNLU-CAOOACKPSA-N 368.414 3.624 30 40 FHEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 684813756 ZQWSUQKQDOTTCE-IPELMVKDSA-N 368.481 3.699 30 40 FHEB C=CCN(C(=O)c1ccc2c(c1)nnn2CC)c1nc2c(s1)CCCC2 12797862 VSCLUTIROOPMDQ-UHFFFAOYSA-N 367.478 3.619 30 40 FHEB N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1 54061433 VXXCFFIKNWVKRJ-UHFFFAOYSA-N 362.408 3.675 30 40 FHEB N#CCSc1ccccc1NC(=O)CSc1nncc2ccccc12 12921772 AJHWESGSYSFWIY-UHFFFAOYSA-N 366.471 3.976 30 40 FHEB Cn1c([C@@H](C#N)C(=O)c2c(F)c(F)c(F)c(F)c2F)nc2ccccc21 13739093 XENAOAOXLJDCAC-ZETCQYMHSA-N 365.261 3.759 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccs2)no1 9329342 IIXWBMIYCIZVFB-HNNXBMFYSA-N 370.386 3.729 30 40 FHEB CC/N=c1\scc(-c2ccc(O)c(O)c2)n1/N=C/c1ccccc1C 15544732 XCGQAIYFTRYPTC-YUVZERDRSA-N 353.447 3.739 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1 7819410 UZZVNQUABWCEDS-GFCCVEGCSA-N 354.387 3.785 30 40 FHEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC 7883598 NJPHXKIFXGJEQW-QBNCKDSPSA-N 355.463 3.508 30 40 FHEB C#CCOC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 226235604 HNLKCXPVWLQQFV-UHFFFAOYSA-N 355.191 3.782 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222882029 ZTIQBNHLHLMNRY-HXUWFJFHSA-N 366.461 3.961 30 40 FHEB CCOc1ccc(N(CCC#N)C(=O)[C@H]2COc3cc(F)ccc3C2)cc1 599316007 ZFDQSBGAWLNKQA-MRXNPFEDSA-N 368.408 3.722 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 5002568 HRSYHPSYPSMIQO-OVCLIPMQSA-N 365.143 3.712 30 40 FHEB N#Cc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1 13564799 HSMXHHVOIKQRHE-UHFFFAOYSA-N 369.384 3.609 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C\c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 4538861 LALSFJZZQVQYEH-ZDLGFXPLSA-N 352.306 3.808 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccco1 4919901 MIAKANQSXNUVFG-FOIQADDNSA-N 370.401 3.616 30 40 FHEB Cc1cc(I)c(O)c(/C=N/c2ccccc2O)c1 1433531 BCICWNXKNFDKIN-LZYBPNLTSA-N 353.159 3.761 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccccc1 40159371 FYGMVDRDEPKLPS-MRXNPFEDSA-N 370.522 3.870 30 40 FHEB Cc1ccc(/N=C/c2cccc(O)c2O)cc1I 647454 IKWDAGDLWHNZGQ-LZYBPNLTSA-N 353.159 3.761 30 40 FHEB CC(C)(C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 2826242 YASQXGVGHGCXGU-GIJQJNRQSA-N 359.338 3.962 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 917542 SWIMQOQPBWADSW-UHFFFAOYSA-N 367.405 3.985 30 40 FHEB S=c1[nH]nc(-c2ccccc2)n1/N=C/c1cc2c(cc1Cl)OCO2 1507673 YXDOZDQUFNBPRG-QGMBQPNBSA-N 358.810 3.872 30 40 FHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2c(c1)OCCCO2 7717197 UDRAQIQDXIVGET-FNORWQNLSA-N 370.401 3.770 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(C)c3C)c3n2CCC3)cc1 17251842 VINVPVLHEUMXDP-UHFFFAOYSA-O 360.481 3.953 30 40 FHEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N/c1ccc(F)cc1 409220972 IQYWUBJOPCEMOB-PKOZXGCMSA-N 361.354 3.951 30 40 FHEB N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 31984567 NBEUOAZRYGCUJY-UHFFFAOYSA-N 354.431 3.527 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2ccccc2C)s1 225498347 UYVNZFZEDSINAL-UHFFFAOYSA-N 351.522 3.997 30 40 FHEB C#CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 5129215 BZGJYHKOQMZTMB-VMPITWQZSA-N 350.370 3.722 30 40 FHEB CCOc1ccc(N/N=C2/C(C)=NN=C2Nc2ccccc2)c([N+](=O)[O-])c1 6380843 IDGVTLQUZGRHIA-UHFFFAOYSA-N 366.381 3.662 30 40 FHEB CCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 20849348 UFCWOUXUSIFDDF-NMWGTECJSA-N 372.327 3.732 30 40 FHEB CN(C)N1C(=O)C[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O 1422734 HMMCWTZFPXAWLO-CYBMUJFWSA-N 352.356 3.505 30 40 FHEB CC(=O)NC1=C(Sc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 1870184 BNMBDUXYBKOILC-UHFFFAOYSA-N 357.818 3.859 30 40 FHEB C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 7395673 ROBGQNXXDDSKRY-LLVKDONJSA-N 362.307 3.761 30 40 FHEB COc1ccc(/C(C)=N/Nc2ncnc3sc4c(c23)CCC4)c(O)c1 8284802 KHVNJKWQRVYKRN-UFFVCSGVSA-N 354.435 3.730 30 40 FHEB CCOc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 12761198 NWGQZZGVADPXKU-UHFFFAOYSA-N 363.417 3.921 30 40 FHEB N#Cc1c(CN2CCN(c3ccccc3Cl)CC2)cn2ccccc12 12990428 AXFVRUGIMQKMEH-UHFFFAOYSA-N 350.853 3.787 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2cccnc2Cl)C(C)(C)c2ccccc21 20751146 DTELVCZHEQSSGQ-BOPFTXTBSA-N 370.836 3.772 30 40 FHEB CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F 30371227 PMFDSJYPQUHRMA-OAHLLOKOSA-N 366.389 3.589 30 40 FHEB CCc1ccc(C(=O)/C=C/c2ccc(OCCN3CCOCC3)cc2)s1 36611174 XFEZKXOGCFRSQB-WEVVVXLNSA-N 371.502 3.918 30 40 FHEB COC(=O)c1c(Cl)ccc(C)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 79071857 ZKEMXYJNTKFSMT-LBPRGKRZSA-N 372.808 3.713 30 40 FHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 101226872 UPLQQLKUNUXJAM-XGIGFIBQSA-N 365.458 3.833 30 40 FHEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103542692 SMIQPGHPYSMZAO-UHFFFAOYSA-N 360.094 3.950 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@H](C[C@@H]12)[C@]1(C(C)C)O[C@H]13 104135423 JUHNXYHDDHYJAM-DVBCYNEPSA-N 362.510 3.965 30 40 FHEB Cc1ccc(Cn2nc(OCc3ccc(Cl)cc3)c(C#N)c2N)cc1 225846197 BSMHDFZQYIDLEG-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1O 408905786 DVZBDFKRQLJZRQ-KRICTJEJSA-N 354.431 3.943 30 40 FHEB CC(C)(C)c1nn(Cc2cccnc2C(F)(F)F)c(O)c1CCC#N 530162260 VFYMNVQHSDSRJW-UHFFFAOYSA-N 352.360 3.804 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 1056145 XZMWSDKEEMMGGQ-RQZCQDPDSA-N 363.167 3.895 30 40 FHEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3c(c2)OCO3)c1O 2309928 KAADUPAVVYVWFP-OMCISZLKSA-N 365.139 3.542 30 40 FHEB C=C1CC(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1 3025157 WRGJARRIAIQECT-DJKKODMXSA-N 359.769 3.925 30 40 FHEB O=[N+]([O-])c1cccc(/C=N\c2ccc(I)cc2)c1O 4530097 MVGWZJYGXYMEQR-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB O=C1COc2ccc(C(=O)/C=C/c3ccc(Br)s3)cc2N1 5335867 IDIHDTBQFKPJNN-DUXPYHPUSA-N 364.220 3.738 30 40 FHEB CC(=O)Nc1ccc(C#CC2(NC(=O)[C@@H]3CC=CCC3)CCCCC2)cn1 12144124 QAPMGSPGXCEVDK-LJQANCHMSA-N 365.477 3.567 30 40 FHEB C/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])o1 12661027 GCVCWNPPXLCVOX-MDCRQLBCSA-N 362.798 3.784 30 40 FHEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(Oc2ccccn2)cc1 12742329 ZEXCJCUUMLVTBM-UHFFFAOYSA-N 352.371 3.513 30 40 FHEB O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc3c(c2)OCO3)c1O 13122673 KAADUPAVVYVWFP-SOFYXZRVSA-N 365.139 3.542 30 40 FHEB COc1ccc(N2CCN(/C(S)=N\[C@H](C)c3ccccc3)CC2)cc1 13556496 KKDKQBGYJWJBAA-MRXNPFEDSA-N 355.507 3.864 30 40 FHEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2c(oc3ccccc32)c1=O 14021583 RLHFWABUKXGCMF-UHFFFAOYSA-N 365.414 3.632 30 40 FHEB Cc1ccc(/C=N/Nc2nnc(C)c(N/N=C/c3ccc(C)cc3)n2)cc1 27579518 BJRWDLVHBMWCPC-ADYPVIEZSA-N 359.437 3.689 30 40 FHEB C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Nc2ccccc2)c1 40152074 RBIJCGSBDMOKQN-UHFFFAOYSA-N 369.424 3.780 30 40 FHEB Cc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 54061437 YFXZUPSUDLXIJX-UHFFFAOYSA-N 358.445 3.844 30 40 FHEB C=C(Cl)COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 64495055 PWRCFDWLQKJEIZ-UHFFFAOYSA-N 368.824 3.911 30 40 FHEB N#Cc1cccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1 96119830 COMVYVVDFLZJEL-UHFFFAOYSA-N 352.440 3.842 30 40 FHEB Cc1c(Cl)cccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(F)cc1 103504649 ZMVIJHHRKXTGRH-CQSZACIVSA-N 360.772 3.514 30 40 FHEB C=CCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 104213365 HUSVMZIKWFAXQK-GREKMHCPSA-N 368.483 3.886 30 40 FHEB Cc1ccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)cc1 225840457 SJUKHLOFYSURDQ-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB OC[C@]1(C#Cc2ccccc2)COc2ccccc2N1Cc1ccccc1 306145416 DVZDCNPAJMLAQF-XMMPIXPASA-N 355.437 3.868 30 40 FHEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1O 409039298 RFEWRBIBZFWKBC-YQLNASGTSA-N 368.636 3.768 30 40 FHEB N#C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 505937199 DKBAOFVQKFJMPL-MRXNPFEDSA-N 366.314 3.994 30 40 FHEB CC1(C)C[C@@]2(C[C@H](c3ccccc3)C3=C(CCCC3=O)O2)NC(=S)N1 875623 DNCPBPAQSAKGLJ-VLIAUNLRSA-N 356.491 3.540 30 40 FHEB C=CCc1cc(/C=N/c2ccccc2OC)cc(OC)c1OCC(=O)O 59679637 FJVQMBSFFJLYFU-CIAFOILYSA-N 355.390 3.646 30 40 FHEB C#Cc1cccc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 58307586 JXOLJXSPLRHERH-QGZVFWFLSA-N 371.481 3.779 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(F)c21 100877844 VRUIIXNPZLQFAQ-SDXDJHTJSA-N 350.827 3.931 30 40 FHEB CC(C)c1csc([C@@H](C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 80456080 GSIVMZUYRWQYKC-AWEZNQCLSA-N 355.463 3.714 30 40 FHEB Cc1ccc([C@@H](CNc2oc(C(C)(C)C)nc2C#N)N2CCOCC2)cc1 27793562 HTLIACAXGNCSQG-GOSISDBHSA-N 368.481 3.638 30 40 FHEB C=C(C)COc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 219778935 ZPZLXKOOBPWXFR-UHFFFAOYSA-N 354.425 3.743 30 40 FHEB CN(Cc1cccc(N(C)C)c1)C(=O)C1CCC(/N=C(/O)C2CC2)CC1 330017773 RSDGZYGOXNXMME-UHFFFAOYSA-N 357.498 3.636 30 40 FHEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 12219337 VWHFHYGWOAPWOB-TYABSZSSSA-N 365.448 3.852 30 40 FHEB COc1ccc(/C=N/Nc2nc(C)c3c(n2)Nc2ccccc2NC3=O)cc1 5552289 FUFDNUOHJCIJNF-SRZZPIQSSA-N 374.404 3.549 30 40 FHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 959812 RJOSZZNTNIZXIU-ZDUSSCGKSA-N 373.865 3.710 30 40 FHEB N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 2736889 QAEONMZBBNFJGK-UHFFFAOYSA-N 355.419 3.978 30 40 FHEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC)c(C)c1C#N 2748111 AAOMQWIZPPDYQI-AWEZNQCLSA-N 358.419 3.511 30 40 FHEB CNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2OC)c1=O 4667403 WZQBBYZJWVEGAY-JXMROGBWSA-N 374.234 3.756 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 6046334 LBIPFMSWHQXASD-KRWDZBQOSA-N 370.792 3.580 30 40 FHEB CC(C)c1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 6263189 AXWFYVTYRYVPQT-LANLRWRYSA-N 351.475 3.974 30 40 FHEB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(C#N)c1 8735005 ZIXLYRKLXKAYOV-SNVBAGLBSA-N 355.448 3.524 30 40 FHEB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 11612353 LSCGZJZKKAPTNP-KZNAEPCWSA-N 364.489 3.775 30 40 FHEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc2c(c1)OCCCO2 13095354 HEJVLUFFJCNPNG-FYJGNVAPSA-N 371.462 3.567 30 40 FHEB CCOC1CCN(C/C(O)=N/c2nnc(C3CCCCC3)s2)CC1 19715552 ZYOKWHODFAWKDS-UHFFFAOYSA-N 352.504 3.675 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102577823 YEPHVBYZWSGFCC-SFHVURJKSA-N 357.413 3.730 30 40 FHEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)c1 223754392 SNAQVEPEECJIOC-PYCFMQQDSA-N 355.438 3.721 30 40 FHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224659985 RVDUEDVOHKQXMC-UHFFFAOYSA-N 373.474 3.950 30 40 FHEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409103428 GXFFIEXYTKPTPC-VXLYETTFSA-N 367.321 3.912 30 40 FHEB Cc1nc(N2CCN(C(=O)CC3CCCCC3)CC2)c(Cl)cc1C#N 515191867 XXFOLMJTAADKEN-UHFFFAOYSA-N 360.889 3.534 30 40 FHEB N#Cc1cccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1848834666 IBCUXUOZSVCENQ-UHFFFAOYSA-N 355.825 3.538 30 40 FHEB COc1ccc(Cl)cc1/C=C/C=N/NS(=O)(=O)c1ccc(C)cc1 1709684 ITYQUAAVXBAENZ-NOVSXIJHSA-N 364.854 3.635 30 40 FHEB O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/O)cc1 4670335 ZLIWESDIWXYOGS-CAOOACKPSA-N 350.168 3.534 30 40 FHEB Cc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3O)CC2=O)Nc2ncnn21 5203472 ZWGVPVOHXHALJI-LHSJRXKWSA-N 372.428 3.708 30 40 FHEB CSc1c(C#N)c(N)nc2c(/N=N/c3cc(C)ccc3C)c(N)nn12 6189450 MDOZPHZENAINCH-QURGRASLSA-N 352.427 3.520 30 40 FHEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc(OC)c1O 6546496 QZJBGHJMZRUDCZ-YBEGLDIGSA-N 370.430 3.609 30 40 FHEB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1sccc1C#N 6881796 GYAMLDIKXUMWAA-UHFFFAOYSA-N 350.447 3.994 30 40 FHEB C#CC(CC)(CC)NC(=O)CCCOc1cccc(Br)c1 8184267 NXOULZJBARYWSB-UHFFFAOYSA-N 352.272 3.916 30 40 FHEB CCOP(=O)(Cc1c(C#N)c(C#N)c(N)n1-c1ccc(C)cc1)OCC 15084182 HJDGPKCMHZGWSF-UHFFFAOYSA-N 372.365 3.877 30 40 FHEB Cc1ccccc1/C=N/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1C 33337673 OJHSPHZBXVAYMQ-IVUIJMHVSA-N 352.419 3.905 30 40 FHEB N#Cc1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 48713003 DRFVPQWZRLYNCM-UHFFFAOYSA-N 360.383 3.731 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)NC2CCCCCCC2)CC1 84497786 YZPXAAIRKHSIGC-UHFFFAOYSA-N 354.498 3.893 30 40 FHEB C/C(=C\c1ccccc1)[C@H]1O[C@@]23CCCC[C@H]2[C@@]2(C#N)C(=N)N=C(O3)[C@@]12C#N 102926936 MDLMOOWAUVBLOW-BAOWFURRSA-N 372.428 3.815 30 40 FHEB N#C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225643425 JNOQANVBTQBXFA-BZUAXINKSA-N 362.248 3.529 30 40 FHEB CNc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 1625111735 GHPFGMOQQUXALB-UHFFFAOYSA-N 374.419 3.977 30 40 FHEB N#Cc1cnc(N2CCC[C@@H](COc3ncccc3Cl)C2)c(Cl)c1 2087131342 FWPULCZUSOKDBK-GFCCVEGCSA-N 363.248 3.950 30 40 FHEB COc1ccc(C2(CNc3snc(Cl)c3C#N)CCOCC2)cc1 57150036 POUPNTTUXNMTSA-UHFFFAOYSA-N 363.870 3.837 30 40 FHEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3 13723611 BJAZYCNJUCESKD-UHFFFAOYSA-N 362.458 3.838 30 40 FHEB N#Cc1ccc(COC(=O)COc2ccc(F)cc2Br)cc1 6889123 SBZCAVZFQXDCPY-UHFFFAOYSA-N 364.170 3.582 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1O 15015812 VZKFIEIQQKDDNW-NVNXTCNLSA-N 360.822 3.946 30 40 FHEB COc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O 6924444 FCGRCVJLSPMNNM-YVLHZVERSA-N 354.431 3.909 30 40 FHEB CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/c1ccc(Cl)cc1 61869322 BQFSPZWMEVVSOB-XHDMRECYSA-N 369.833 3.896 30 40 FHEB COc1ccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)cc1 33412586 ZYIUEJFKSVWZBZ-ZHZULCJRSA-N 350.447 3.806 30 40 FHEB N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 6429633 BMJBKUCYAWPTCG-UHFFFAOYSA-N 366.461 3.693 30 40 FHEB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)CCOc2ccc(F)cc21 48531961 ZWIXIGIMERJJOK-SSZFMOIBSA-N 353.393 3.711 30 40 FHEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(OC)c2)S1 5551213 BMWRGTRIKGDHKZ-BOPFTXTBSA-N 354.431 3.855 30 40 FHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 4629602 BUPKFBVRGOGNIQ-GOSISDBHSA-N 369.417 3.673 30 40 FHEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 101651502 YTYHHFVQLNMAHJ-YGCDDZCOSA-N 353.447 3.667 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 4498876 SZUXHYIDXWMGHZ-HLRFIURKSA-N 371.300 3.540 30 40 FHEB C=CCn1c(-c2csc(-c3ccc(OC)c(OC)c3)n2)n[nH]c1=S 5703643 IUEULVSCJUDJBL-UHFFFAOYSA-N 360.464 3.934 30 40 FHEB C=CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccccc12 5789340 WUGZRGKTGYDEPB-UHFFFAOYSA-N 370.368 3.632 30 40 FHEB biogenic CCc1c(C)sc(NC(=O)COCc2cc(-c3ccco3)on2)c1C#N 6876677 ZVVKKFHXVJDJJM-UHFFFAOYSA-N 371.418 3.894 30 40 FHEB CCOc1cc(C#N)cc(Cl)c1OCC(=O)N1CCc2ccccc21 8427822 MBXYWMBUJBWKLF-UHFFFAOYSA-N 356.809 3.578 30 40 FHEB Fc1ccc(CO/N=C/Nc2ncc3c(n2)-c2ccccc2OC3)cc1 8873694 XPMALGPQQOSIBR-UHFFFAOYSA-N 350.353 3.747 30 40 FHEB C#CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)CC1 12910485 UBZZXIPHFBDTPA-UHFFFAOYSA-N 369.468 3.601 30 40 FHEB CC(C)c1ccc2nc(SCC(=O)NC[C@H]3CCCO3)c(C#N)cc2c1 15935914 PVJTWQCZQKEYPS-QGZVFWFLSA-N 369.490 3.617 30 40 FHEB Cc1ccc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 21973942 YJPKSHUXMKZTGU-UHFFFAOYSA-N 368.458 3.577 30 40 FHEB COc1ccc(-c2nc(CO/N=C(\N)c3ccc(Cl)cc3)co2)cc1 22842504 HUAYGURTXFBVBC-UHFFFAOYSA-N 357.797 3.841 30 40 FHEB CCNC(=S)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1 33670102 SMPCGGTXZCJAQG-FBHDLOMBSA-N 365.861 3.876 30 40 FHEB Cc1noc2nc(-c3ccco3)cc(C(=O)N(CC#N)Cc3ccccc3)c12 40155094 VZEUVRBAHKYUOD-UHFFFAOYSA-N 372.384 3.957 30 40 FHEB Nc1cc(N)cc(C(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)c1 40321605 NWOMTDROHSOIPE-DHZHZOJOSA-N 357.413 3.999 30 40 FHEB CC[C@@H](Oc1cccc(C)c1)/C(O)=N/S(=O)(=O)c1sc(C)nc1C 79172755 IZGLVYZLWYVFSX-CQSZACIVSA-N 368.480 3.571 30 40 FHEB C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(S(=O)(=O)O)cc1 102934571 LULYBIHFXKWWBQ-VHEBQXMUSA-N 372.471 3.882 30 40 FHEB CSc1nc(Oc2ccc(Cl)cc2C)cc(-n2ncc(C#N)c2N)n1 644455 GCBAGZYSZAJWBL-UHFFFAOYSA-N 372.841 3.592 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C#N)C1 4088487 PMVPMAWTSPHZIM-ZBEGNZNMSA-N 354.431 3.523 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5967413 QROSOHFEKKTKPA-HIPMGEKLSA-N 356.349 3.772 30 40 FHEB S=C(N/N=C/c1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 8637722 MXJOFDILJADSIV-WSDLNYQXSA-N 352.507 3.935 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 12615518 KYEALTQSYSPVJA-OAHLLOKOSA-N 350.393 3.781 30 40 FHEB CCOc1cc(/C=C2/CCS(=O)(=O)c3ccccc3C2=O)ccc1OC 96314815 ITUXGOPFQHQDDX-QINSGFPZSA-N 372.442 3.538 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccncc2)cc1 104205902 KPJFJUXLXFZKES-KGENOOAVSA-N 351.431 3.941 30 40 FHEB CCc1ccc([C@@H](SC(C)(C)C)C2=C(O)N[C@H](S)NC2=O)cc1 223812682 ZKPUKFIQDGUVBL-CJNGLKHVSA-N 352.525 3.524 30 40 FHEB O=c1c2ccccc2ncn1/N=C\c1ccc(-c2ccc(F)cc2F)o1 408603018 PRNIEOJJQLRJAR-RMORIDSASA-N 351.312 3.817 30 40 FHEB NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408888818 BHJZZQOIWIPKKD-UFWORHAWSA-N 354.262 3.740 30 40 FHEB C=CCOc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cccc1OC 409046496 KJQIWVDRRPAZJA-GZIVZEMBSA-N 374.256 3.974 30 40 FHEB C#CCn1/c(=N/C(=O)C(C)(C)C)sc2cc(Br)ccc21 100875324 SGUDPIXCYVWFDW-VKAVYKQESA-N 351.269 3.572 30 40 FHEB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C(C)C 36638387 NQWDYAAVQOVJQI-QGZVFWFLSA-N 371.403 3.961 30 40 FHEB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 11371887 JQXHVVBTVNVVJE-QGZVFWFLSA-N 355.825 3.605 30 40 FHEB C=CCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 13022733 GUQYANKPYPCIOG-UHFFFAOYSA-N 363.261 3.826 30 40 FHEB CCOc1ccccc1N1CCN(/C(S)=N\Cc2ccccc2)CC1 13878969 HXTWTMMGBWIRIG-UHFFFAOYSA-N 355.507 3.693 30 40 FHEB C=CC[C@@H]1S/C(=N/N=C\c2ccc(OCc3ccccc3)cc2)NC1=O 19791771 SCGSWNHBPLTURS-PKIWBCANSA-N 365.458 3.763 30 40 FHEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409148426 PSAOMEQQLZCVHW-UVTDQMKNSA-N 373.206 3.788 30 40 FHEB CCc1cccc(CC)c1/N=C(/N)SCc1cc(=O)n2ccsc2n1 15458591 OXJDWWCDSMCGGU-UHFFFAOYSA-N 372.519 3.760 30 40 FHEB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)C1(C#N)CCCCC1 8257630 GMCMAMZPEOVAKE-ZDUSSCGKSA-N 373.526 3.656 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)cc2)n2nc(C)cc2N1 72332714 XMTUFCPGXBNONY-OAQYLSRUSA-N 369.428 3.991 30 40 FHEB CCc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1Cl 560434472 UMAWQBVGDJTDPI-UHFFFAOYSA-N 369.856 3.523 30 40 FHEB C=CCc1ccccc1OC[C@@H](S)CN1CCN(c2ccccc2)CC1 95532721 FHCZCQVPVFYMKM-NRFANRHFSA-N 368.546 3.915 30 40 FHEB N#Cc1cccnc1OC1CCN(C(=O)c2cccc3ccccc23)CC1 96102859 XZKMTSPMUXHLSV-UHFFFAOYSA-N 357.413 3.790 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3ccc4cnccc4c3)CC2)OC1(C)C 1776000353 WBTSWHAZBPTGJV-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1ccc(F)cc1 20029526 ZCRVHSPMHWSJDQ-NSHDSACASA-N 352.394 3.672 30 40 FHEB CN1/C(=C/C=N/C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[C@H]2C=CC=C[C@@H]21 101843530 IJRRUYMZNVYBEO-AODOBAFVSA-N 367.449 3.665 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc2ccccc12 10030303 FRXOOLQHBKYDCT-INIZCTEOSA-N 373.456 3.827 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 100562982 MDJAZZVPALFEBH-SFHVURJKSA-N 354.450 3.639 30 40 FHEB CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1 4016790 JJQVODSLZSVPHF-LPYMAVHISA-N 351.454 3.700 30 40 FHEB O=S(=O)(C/C(=N\Nc1ccccc1)c1ccccc1)c1ccccc1 4114032 YYLNVVCNNQZCEK-LSDHQDQOSA-N 350.443 3.977 30 40 FHEB CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5859134 UWDLVXSGNKSRKX-GFCCVEGCSA-N 374.293 3.566 30 40 FHEB N#Cc1ccccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 16093721 BLMWZGWJJXVRAL-UHFFFAOYSA-N 361.728 3.998 30 40 FHEB Cc1[nH]c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1Cc1ccccc1 9946756 ZFDXFDLCDVTODK-QRWLVFNGSA-N 370.522 3.844 30 40 FHEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1C1CCCCC1 409366472 SHKMECUAQCZMEK-UHFFFAOYSA-N 364.449 3.908 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)cc3O)S2)cc1Cl 408738524 LKFLICDICZHNIQ-UUASQNMZSA-N 360.822 3.951 30 40 FHEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(F)c1 225099706 IPUDWFUYPIABMI-UHFFFAOYSA-N 365.426 3.614 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@H](c3ccc(C)o3)Nc3ccccc3N2)C(=O)O1 225391996 STTIUWJAIQUZLV-ZBQKJFDRSA-N 350.374 3.841 30 40 FHEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCOc1ccccc1Cl 46084657 ZXKCRMCSCNUXRQ-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)C2=NO[C@H](c3ccccc3)C2)n1 55248178 HYSDAHIFSBXQTL-INIZCTEOSA-N 363.377 3.586 30 40 FHEB CCN(CC)CC#CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1CC=CCC1 96031330 JLKIQERNEYLJLA-DENIHFKCSA-N 361.526 3.543 30 40 FHEB in-vitro C#CCOC(=O)c1ccc(OC(=O)c2cccc(Cl)c2)c(OCC)c1 226307166 VRTMNOTXJZAHOU-UHFFFAOYSA-N 358.777 3.748 30 40 FHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 100562981 MDJAZZVPALFEBH-GOSISDBHSA-N 354.450 3.639 30 40 FHEB CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2367030 WQQIXFOUKOQUCN-CVEARBPZSA-N 366.465 3.817 30 40 FHEB aggregator Cc1c(C)c(C)c(S(=O)(=O)/N=C(/N)C(Cl)(Cl)Cl)c(C)c1C 2577693 PCUOQQFXQOEDLF-UHFFFAOYSA-N 371.717 3.645 30 40 FHEB N#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 4677307 PESLNGARMSVWSD-UHFFFAOYSA-N 353.472 3.611 30 40 FHEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 4871715 MXDFWOZIGIJALP-FYJGNVAPSA-N 371.462 3.567 30 40 FHEB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1 6063814 FRMLQHWYAUMUMJ-FCLDQCEHSA-N 352.434 3.645 30 40 FHEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 6185967 BHWDUZAHXZOBQU-UHFFFAOYSA-N 370.390 3.607 30 40 FHEB N#CCn1c(CN2CCCCCCC2)nc2sc3c(c2c1=O)CCCC3 9498079 ZKVZCFHJMBGRSU-UHFFFAOYSA-N 370.522 3.626 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 10814157 ZZNOSQUHSJFERO-KRWDZBQOSA-N 357.413 3.954 30 40 FHEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc(OC)c1OC 13692874 NZPOXDZKAOJHSE-KRWDZBQOSA-N 370.405 3.573 30 40 FHEB Fc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1 18210296 XMDOATOHFXBAIL-RGVLZGJSSA-N 364.409 3.645 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608772 JETYKKUCMMUNER-YJYMSZOUSA-N 364.380 3.734 30 40 FHEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 32770590 HWXQQWZJCBZEDD-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB COc1cc(/C=C/C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1OCC#N 32986270 JQXRODWDWNUWKW-AZGCOUAMSA-N 354.450 3.649 30 40 FHEB CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)nn(CCC#N)c1C 46710635 BPZNEDJBHQIHAJ-SFHVURJKSA-N 370.522 3.944 30 40 FHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102497210 TUFCJRJHWYSTKJ-YDJIHCHBSA-N 370.408 3.704 30 40 FHEB Cc1ccc(C)c2[nH]c(=O)c(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)cc12 883081 NKVXSNWZHKZFIJ-OAHLLOKOSA-N 363.392 3.605 30 40 FHEB COc1ccc(CNc2oc(COc3ccccc3OC)nc2C#N)cc1 934555 NHPYJFLNZKHVCI-UHFFFAOYSA-N 365.389 3.755 30 40 FHEB C=C1[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@H]1C 12559442 GWZQTOHOERXPOC-QQVJTJINSA-N 372.468 3.744 30 40 FHEB O=C1N/C(=N/N=C\c2ccco2)S[C@@H]1Cc1cc(Cl)ccc1Cl 4866440 WZHOLXVPAMJGMH-KURMNSRBSA-N 368.245 3.751 30 40 FHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2 4944286 WGBLJFYZLMGXJZ-OAHLLOKOSA-N 363.442 3.675 30 40 FHEB Cc1sc(NC(=O)CCCn2c(=O)oc3ccccc32)c(C#N)c1C 48324354 ZNGOQCPUGVUJCA-UHFFFAOYSA-N 355.419 3.563 30 40 FHEB C=CCc1cc(CN(C)CCc2ccc(OC)c(OC)c2)c(O)c(OC)c1 12883428 VQEBDJFCHLEBSG-UHFFFAOYSA-N 371.477 3.821 30 40 FHEB Cc1noc2c1[C@H](c1cc([N+](=O)[O-])ccc1O)C1=C(CC(C)(C)CC1=O)N2 72332308 YZHQJENTUMVBBD-INIZCTEOSA-N 369.377 3.797 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(Br)cc1 8489867 UPACDLMNKGCHTA-LLVKDONJSA-N 360.207 3.980 30 40 FHEB N#Cc1ccccc1CN1CC[C@H](N(Cc2ccccc2C#N)C2CC2)C1 89813917 RCGRZRJSPIPOTP-QHCPKHFHSA-N 356.473 3.669 30 40 FHEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409246822 DXDSSLCMUILCER-LPYMAVHISA-N 372.852 3.637 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 263604245 OLFBCAHNOFQEPC-UHFFFAOYSA-N 370.368 3.854 30 40 FHEB Cc1ccc2c(c1)OC(=O)/C(=C/C(=O)c1ccc(Br)cc1)N2 109058695 WQAIYAHEPFDSNP-ZROIWOOFSA-N 358.191 3.855 30 40 FHEB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c(OC)c1 12807431 OCNGQZJHYGJTME-JTPHSUOKSA-N 362.429 3.952 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c(OC)c1 12462720 GTYXXSZFWPUZOC-LICLKQGHSA-N 354.431 3.904 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)c1ccccc1 4028401 JQPOKDQOUBIXDQ-RUZUTBJTSA-N 369.505 3.864 30 40 FHEB biogenic Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@@H]21 57068314 ZSUNPDNTZRFPDR-YWMUFLPLSA-N 356.514 3.773 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 58217020 USRIMHQSAIGJEG-GFCCVEGCSA-N 373.478 3.722 30 40 FHEB CCOC(=O)CC(=O)c1sc(SCc2ccccc2)c(C#N)c1N 36365806 DSBZMBCLDZSEER-UHFFFAOYSA-N 360.460 3.630 30 40 FHEB N#Cc1cccc([C@H](c2nnnn2C2CCCC2)N2CCCCCC2)c1 57710770 ZYWQCSWVZKNUOJ-LJQANCHMSA-N 350.470 3.625 30 40 FHEB Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(NCc2ccccc2)n1 4851010 HNWRZGIXUGCCSH-FYJGNVAPSA-N 362.393 3.751 30 40 FHEB CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(C#N)c1)CC2 8388567 YSERFGLWAZQXCK-UHFFFAOYSA-N 350.418 3.554 30 40 FHEB CCCCOc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1OC 18175427 NFSMRYOVLIMCEB-UHFFFAOYSA-N 354.435 3.550 30 40 FHEB COC(=O)c1cccc(CN2CC[C@H](CSc3ccccc3)C2)c1C#N 89406958 MWVYYPRGERPQKT-INIZCTEOSA-N 366.486 3.959 30 40 FHEB CC(=O)c1cccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1 408748852 CHNQLQMNWSZJLO-JAIQZWGSSA-N 350.334 3.898 30 40 FHEB N#Cc1ccc(OCc2ccccc2F)c(I)c1 216812390 HHMFFVRISQRGGM-UHFFFAOYSA-N 353.134 3.881 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/c2cc3c(cc2Br)OCCO3)c1 87711576 CTAWGNGDUJTOAT-RQZCQDPDSA-N 363.167 3.879 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 13995764 UDVSUPSHKCHBKW-SFHVURJKSA-N 352.434 3.707 30 40 FHEB CN(C)c1cc[n+](CC(=O)N2c3ccccc3Sc3ccccc32)cc1 4129525 WBJNFWRZLHNKPY-UHFFFAOYSA-N 362.478 3.870 30 40 FHEB C/C(=N\OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 4863444 DENAHPNXSCBFQK-LIMNOBDPSA-N 358.266 3.761 30 40 FHEB COc1ccc(Cl)cc1NC(=O)/C=N/OCCOc1ccc(C)cc1 5402822 ROLFIKAPHLHKNC-UDWIEESQSA-N 362.813 3.677 30 40 FHEB C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccccc1)C2 9936489 QAPHMAFCANIKSZ-QGZVFWFLSA-N 373.460 3.790 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)cc1OC 12880666 HASKQOASOBXKLM-GRSHGNNSSA-N 368.385 3.596 30 40 FHEB biogenic Cc1cc(C)c2nc(NCCNC(=O)C3CCCCC3)c(C#N)cc2c1 20150329 VXZAKHDBCDMYRB-UHFFFAOYSA-N 350.466 3.832 30 40 FHEB COc1ccccc1N1C(=O)/C(=C\c2ccc(C#N)cc2)SC1=S 36644357 QPSSJVSKLDJWBV-MHWRWJLKSA-N 352.440 3.973 30 40 FHEB N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 97001671 PXIFWZRYRAXYFV-FQEVSTJZSA-N 372.428 3.732 30 40 FHEB O=C1C=C/C(=N\c2cc3c(cc2Br)-c2ccccc2C3=O)O1 100487193 ZEPWCMXKEBYHNG-XDJHFCHBSA-N 354.159 3.804 30 40 FHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218470463 XCRYNPIESBCHRL-SLFFLAALSA-N 373.449 3.620 30 40 FHEB C=CCSc1ccccc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 219814168 VGGICQJDRGVQEN-UHFFFAOYSA-N 373.474 3.921 30 40 FHEB COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408594195 SVCNTRXHMDVZMO-RQZCQDPDSA-N 365.183 3.917 30 40 FHEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966060 LFNYSDBSPFRGQC-WSDLNYQXSA-N 371.437 3.631 30 40 FHEB Cc1cccc(C)c1NC(=O)[C@@H](C#N)Cc1cc2cccc(C)c2[nH]c1=O 883121 QVPJGYQVXWJXGZ-GOSISDBHSA-N 359.429 3.774 30 40 FHEB COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1cc(C)ccc1C 2630865 GUOKWKBFYGAOMB-FYJGNVAPSA-N 368.458 3.778 30 40 FHEB COCCCNC(=S)N1/C(=N/c2ccc(Cl)cc2)SC[C@H]1C 5937686 JAGUETIYHBAUCO-FOTIKMNESA-N 357.932 3.676 30 40 FHEB C=C(Cl)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 6098552 MVUZLIYWRDSXNF-UHFFFAOYSA-N 368.849 3.878 30 40 FHEB CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 6589784 CENCWRZNHWMTAP-LBPRGKRZSA-N 366.446 3.953 30 40 FHEB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 6648815 CLANNKVTZCMZTB-HUUCEWRRSA-N 356.495 3.547 30 40 FHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 8935431 YGXQVYDTOFUAKM-CQSZACIVSA-N 368.462 3.694 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 9486457 PCRZFCLVBSNMEL-AXLWCPOOSA-N 352.386 3.942 30 40 FHEB CC(C)(C)C(=O)/C=C(/NCc1ccccc1)C(=O)NCc1ccccc1 12364912 VLVKBCXVDZQDSU-XMHGGMMESA-N 350.462 3.592 30 40 FHEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1O 21660317 RFWZSVDGEOXBLH-QGZVFWFLSA-N 354.406 3.898 30 40 FHEB COc1ccc(C2=NN/C(=N\c3cccc(NC(C)=O)c3)SC2)cc1F 26144357 DJFHEODMONIJKV-UHFFFAOYSA-N 372.425 3.521 30 40 FHEB C[C@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cc2F)C[C@H](C)O1 48749112 IZYLHWRHICBASN-HOTGVXAUSA-N 353.441 3.601 30 40 FHEB N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1 54061436 DKOVEXNOIZABKV-UHFFFAOYSA-N 350.447 3.597 30 40 FHEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)c(C(=O)O)c1 100193767 NHSVFSCYJZNTRM-IXJMWADBSA-N 355.781 3.779 30 40 FHEB Cc1ccc([C@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1 104155397 JTPQKAKOGAIKMJ-OAHLLOKOSA-N 371.396 3.727 30 40 FHEB COc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccc(C)cc1 225862717 CHKIXSXUAHWUHN-UHFFFAOYSA-N 361.445 3.929 30 40 FHEB CC1(C)CC2=Nc3c(C#N)cnn3[C@@H](c3ccc(C(=O)O)cc3)C2=C(O)C1 102453372 HISYTRKLYGQWAA-KRWDZBQOSA-N 362.389 3.761 30 40 FHEB C[C@]12C[C@@H](O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118934708 VRTQRHLAZBBCKG-ZPNXQJJCSA-N 352.902 3.602 30 40 FHEB C=C(C)CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)CCCC3 2395306 XQWHPKKTJYNWGB-UHFFFAOYSA-N 370.507 3.745 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409135467 RETJAUQXUARINB-RVDMUPIBSA-N 361.323 3.575 30 40 FHEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OC(C)C 408911811 ONLZGSILIULQRT-UWVJOHFNSA-N 364.789 3.885 30 40 FHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1)C2=O 20624532 LSZSRNOXQAFCOF-UNOMPAQXSA-N 353.418 3.859 30 40 FHEB CN1/C(=C/C=N/C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[C@H]2C=CC=C[C@H]21 101843536 IJRRUYMZNVYBEO-FZFJHTDGSA-N 367.449 3.665 30 40 FHEB N#C[C@@H](C(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2o1 41543365 IZVROQJJHDNSTC-INIZCTEOSA-N 359.385 3.835 30 40 FHEB Cc1ccc(Oc2cc(-n3ncc(C#N)c3N)nc(-c3ccccc3)n2)cc1 632458 VGMPGMXGIGOFGD-UHFFFAOYSA-N 368.400 3.884 30 40 FHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 783748 HSZHPXQTCCYMID-QHCPKHFHSA-N 363.457 3.977 30 40 FHEB COc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1 917571 OWTHIHRUQJBGPQ-UHFFFAOYSA-N 369.490 3.998 30 40 FHEB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1C 4977742 DKJUIERMAVTBJQ-UHFFFAOYSA-N 373.412 3.773 30 40 FHEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5245797 YXWSFIGAPDDQRB-KKSFZXQISA-N 372.428 3.702 30 40 FHEB Cc1oc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(C#N)c1C 5577238 CIEBWJDSDMPWBC-UBKPWBPPSA-N 364.155 3.895 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5967434 QROSOHFEKKTKPA-XACIZNRCSA-N 356.349 3.772 30 40 FHEB CC(=O)/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)C 6171259 KVMGXKOHIGBNEF-UYRXBGFRSA-N 352.386 3.830 30 40 FHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)CCC(=O)c2ccc(Cl)cc2)cc1 6487622 WBQSPYVBUHEACH-QGZVFWFLSA-N 361.850 3.977 30 40 FHEB C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2ccsc2c1=O 9450660 RSMGIRJMKCGHGR-CQSZACIVSA-N 372.471 3.650 30 40 FHEB O=C(CCN1CCSC1=O)Nc1cccc(C#Cc2ccccc2)c1 12787569 GEAQZVHSFXEBGA-UHFFFAOYSA-N 350.443 3.584 30 40 FHEB C=CCn1c(SCc2cc(C)no2)nc2c(oc3ccccc32)c1=O 14189662 GQETZCJIYCBCKR-UHFFFAOYSA-N 353.403 3.917 30 40 FHEB CCc1ccc2c(c1)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2 15015953 LHMZTRJJSMVMBA-NXVVXOECSA-N 367.405 3.602 30 40 FHEB COCCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 20591133 LHOKFAXIRJMYNO-UHFFFAOYSA-N 352.438 3.606 30 40 FHEB CS(=O)(=O)OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 33756459 CNGZDVMAVFKQNH-UHFFFAOYSA-N 373.518 3.782 30 40 FHEB N#Cc1ccc(OCC(=O)Nc2c(C#N)oc3ccccc23)c(Cl)c1 39984205 LCYXBYHLWSKZCZ-UHFFFAOYSA-N 351.749 3.847 30 40 FHEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102734355 DESJVPRUNHJPOT-WOOAAIBNSA-N 374.396 3.918 30 40 FHEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccccc2F)c1 409331660 OUUYSICXAQXQRY-OCKHKDLRSA-N 360.435 3.599 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3cccc4ccncc34)CC2)OC1(C)C 1776000149 DLIMCWBDYDBPCM-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB C/C(=N\OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccs1 4863452 FIOHFDHYJGFTSE-AERZKKPOSA-N 364.295 3.823 30 40 FHEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)c1C 5376838 QLJNWUNTJRYZRB-YBEGLDIGSA-N 352.415 3.893 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccn2)cc1 5408955 MZQRNYHSHUAXBK-SFHVURJKSA-N 350.418 3.624 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 9095016 SLNQLLNIDKNYDT-CYBMUJFWSA-N 358.825 3.662 30 40 FHEB C=CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(OC)c1OC 9154172 CYOVCWGWMPXYOJ-UHFFFAOYSA-N 372.377 3.601 30 40 FHEB C=CCc1c(C)nc2ccc(NC(=O)c3cnc(SC)nc3)cc2c1O 12148661 HANQOSGJKRDLGJ-UHFFFAOYSA-N 366.446 3.742 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1ccccc1Cl 13039014 FHRUKISMCMCZSU-YBEGLDIGSA-N 353.871 3.751 30 40 FHEB CCCn1nnnc1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 19596730 FKBGFYAVMLWHPY-KGENOOAVSA-N 365.437 3.811 30 40 FHEB C=CCc1cc(C(=O)N(C)Cc2ccccc2OC)cc(OC)c1OC 21923018 RGXHGRALBUUWIB-UHFFFAOYSA-N 355.434 3.713 30 40 FHEB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 36866413 FWGUIYIJIHCDTA-OAHLLOKOSA-N 350.418 3.525 30 40 FHEB CC[C@H](C)[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 57304389 IVYQHLLPLZTLRC-UONOGXRCSA-N 370.453 3.573 30 40 FHEB O=C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648357 QTYUEJZYBMSWNC-OAGGEKHMSA-N 355.242 3.748 30 40 FHEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1 408751232 XZGZFNKODDSELY-JMIUGGIZSA-N 366.333 3.702 30 40 FHEB COc1ccccc1/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408771751 INMCCIKAJNWRDK-DEDYPNTBSA-N 370.430 3.517 30 40 FHEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)cc3C)S2)cc1 408962200 QWHGSIQEQWDLOY-GZTJUZNOSA-N 354.431 3.904 30 40 FHEB C[C@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1cccc(C#N)c1 598998918 MHHIZSOSYLWPQU-INIZCTEOSA-N 373.460 3.632 30 40 FHEB CN([C@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1ccsc1C#N 599515265 CJPBHFRERBEWLH-CYBMUJFWSA-N 370.446 3.507 30 40 FHEB Cc1nc([C@H](C#N)c2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1 1345211 QAIOEVJUALJVID-MRXNPFEDSA-N 374.835 3.887 30 40 FHEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2ccc(Cl)s2)c1C#N 2768166 ZSQBYLYOJGYVTH-UHFFFAOYSA-N 353.856 3.597 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1 3252065 XONNASALUAHOBW-KEBDBYFISA-N 356.369 3.635 30 40 FHEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)c1 4660314 HDXRUXWTHRWOJB-QHHAONBESA-N 354.431 3.938 30 40 FHEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1C 4675193 GWPYTXZHYRTKIW-UMWYYCSLSA-N 368.506 3.692 30 40 FHEB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)cc1 6331122 XZAFDAMKHWSZTR-UHFFFAOYSA-N 362.216 3.576 30 40 FHEB N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 7982287 RKRZSIIRBZOPLC-INIZCTEOSA-N 367.836 3.703 30 40 FHEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)NCC)o2)cc1 8681024 FYDGZWFQEMOMFQ-FYJGNVAPSA-N 373.478 3.721 30 40 FHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9486664 QIJOCPXIIQYLIT-PKSBALPTSA-N 358.777 3.897 30 40 FHEB Oc1ccc(I)cc1/C=N/c1ccc2[nH]ncc2c1 18179794 NOEQHYLMXLMTOZ-FRKPEAEDSA-N 363.158 3.624 30 40 FHEB C=CCOc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 23243059 PXTOVUZPNBDJIZ-UHFFFAOYSA-N 369.852 3.773 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)no1 33161404 BLIMIGIWSGPMAT-UHFFFAOYSA-N 361.401 3.818 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)C2=NO[C@@H](c3ccccc3)C2)n1 55248179 HYSDAHIFSBXQTL-MRXNPFEDSA-N 363.377 3.586 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 96609285 LAJBDTKGGGHJHV-XMHGGMMESA-N 373.434 3.520 30 40 FHEB N#Cc1cccc(C2(NC(=O)c3ccc(N4CCCCCC4)nc3)CC2)c1 610975617 SSZLTQXBVDENKI-UHFFFAOYSA-N 360.461 3.753 30 40 FHEB N#Cc1cnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)c(Cl)c1 1776000619 BGBOCCCTIZKFSN-UHFFFAOYSA-N 369.856 3.637 30 40 FHEB C=CC[n+]1c(=O)c2ccccc2n2c(-c3cccc([N+](=O)[O-])c3)csc21 1636448 UWRZWQSXPDXODB-UHFFFAOYSA-N 364.406 3.563 30 40 FHEB N#CC1(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)CCCC1 58160463 ZLDCCYMONAZXGT-MRXNPFEDSA-N 368.506 3.776 30 40 FHEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCOCC1 2430624 JCTQGYGYUBUQCE-UHFFFAOYSA-N 361.401 3.629 30 40 FHEB C[C@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 100220424 LFGUOKSONBHVJF-WKYAKOBZSA-N 370.365 3.745 30 40 FHEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3C)NC2=O)c1 16666381 LNDXKFSFYIHCAW-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB O=[N+]([O-])c1ccc(N2CCCC2)cc1NN=C1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 217940441 ZJRIQEHJHVZBHS-HZNRYEECSA-N 370.453 3.534 30 40 FHEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(SC)cc1 224988044 IBOGJEZQHAYAKR-UHFFFAOYSA-N 364.448 3.698 30 40 FHEB CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21 96054600 GEGNLMGKHDZLLO-SESVDKBCSA-N 363.461 3.524 30 40 FHEB N#Cc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 21558665 BBBZMTNRRORHEY-MDZDMXLPSA-N 369.424 3.839 30 40 FHEB N#Cc1ccc(CN2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)cc1 1775970696 HZSMYSIZYRPSRZ-UHFFFAOYSA-N 370.456 3.619 30 40 FHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 783751 IJNQZAMDGJJWJR-QHCPKHFHSA-N 357.409 3.833 30 40 FHEB CCn1ncc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 1019045 RAJBCCDMXPHRLO-WAFBPQNNSA-N 354.479 3.921 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 3535304 IIQPGEIXXDAUSV-NRFANRHFSA-N 350.418 3.565 30 40 FHEB Oc1ccc(Br)cc1/C=N\Nc1nc2c(s1)CCCC2 4749602 MDKCYAYKFNZIRJ-PXNMLYILSA-N 352.257 3.936 30 40 FHEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(O)cc2)C1=O 5124025 ZPLMJCIALADDSU-XDHOZWIPSA-N 363.413 3.886 30 40 FHEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 5312149 CESRBPFOCNEFFS-UHFFFAOYSA-N 363.446 3.567 30 40 FHEB COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)c1 5322117 JJYHGVIIUKYWCJ-IIBYNOLFSA-N 372.428 3.702 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 6421156 XAPFOGXZHLZXHF-CMDGGOBGSA-N 374.318 3.772 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\C2CCCC2)NC1=O 8490632 NGRYGYXKKNFHHS-CQSZACIVSA-N 365.886 3.507 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 8744571 QJUZYNWSNCHYJJ-UONOGXRCSA-N 360.483 3.511 30 40 FHEB CCCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 12422060 ZLBVTIJABKXUEN-UHFFFAOYSA-N 369.368 3.850 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 12621819 WZDKHISQLUOALE-PXAZEXFGSA-N 356.422 3.818 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12945294 SOIKVEQXPMEJCL-NSHDSACASA-N 366.333 3.665 30 40 FHEB C=CCn1cnn(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)c1=S 25487861 SXTVVIZOVANJIT-UHFFFAOYSA-N 370.522 3.769 30 40 FHEB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)C3(C#N)CCC3)c12 67683349 HJFCKMCEKMQWLI-UHFFFAOYSA-N 364.380 3.856 30 40 FHEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\NC2CCCCC2)C1=O 100616288 QTVFMUAMTKEIME-NTCAYCPXSA-N 353.418 3.796 30 40 FHEB CCCCCCCCCCCC(=O)[C@H]1C(=O)CC[C@H](C(=O)OC)C1=O 100740750 NNENEEZZPNGAFR-YJBOKZPZSA-N 352.471 3.814 30 40 FHEB biogenic N#Cc1cn(C(=O)c2ccc(I)cc2)c2ccccc12 226361446 HNSJGUMANCJTGN-UHFFFAOYSA-N 372.165 3.806 30 40 FHEB C=CCN1C(=O)N(c2cccc(SC)c2)S(=O)(=O)c2ccccc21 1889102320 KVPQFPOSBUPMFP-UHFFFAOYSA-N 360.460 3.730 30 40 FHEB CCOc1ccc(CNC(=S)N/N=C/c2ccc3ccccc3n2)cc1 813294 USBYAVDBAVGUND-HYARGMPZSA-N 364.474 3.632 30 40 FHEB CCOC(=O)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1 2078007 ZZVAQPGDNNDKDI-UHFFFAOYSA-N 365.341 3.664 30 40 FHEB biogenic COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(C)cc2C)cc1 2353377 AEXBBHWDOSYSFB-GRWXYWTESA-N 367.474 3.778 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 5016753 YDLMIAFYTJQCNG-LFIBNONCSA-N 367.788 3.705 30 40 FHEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5195988 URJDNBZXLYUHQV-PXNMLYILSA-N 359.175 3.991 30 40 FHEB Cc1c(/C=N/Cc2ccccc2O)c(O)n2c(nc3ccccc32)c1C#N 5401403 DJCSCCJFHZTHOL-FSJBWODESA-N 356.385 3.698 30 40 FHEB CCOC(=O)c1c(NC(=O)COc2ccc(C#N)cc2)sc(C)c1CC 5868291 BZWITZZISWCBIF-UHFFFAOYSA-N 372.446 3.685 30 40 FHEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cc(OC)cc(OC)c2)c1C 8321414 XYDRYCFOWMHLLI-BQYQJAHWSA-N 357.406 3.722 30 40 FHEB N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 8746175 MWDFJSUOXHUPKN-UHFFFAOYSA-N 368.868 3.951 30 40 FHEB CC(C)C[C@@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 9155787 GVKGQGYHNOKNEE-GOSISDBHSA-N 362.433 3.717 30 40 FHEB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 9477470 JXQILNDZHNGKLX-OAQYLSRUSA-N 365.408 3.835 30 40 FHEB COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1OC 12858267 BBNJKZHCZOOPMJ-ZDLGFXPLSA-N 368.385 3.881 30 40 FHEB biogenic Cc1c(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2c1CCC2 17748933 NGJIDUCRMOVTBV-SFHVURJKSA-N 351.475 3.672 30 40 FHEB CCOC(=O)COc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 32587163 LJSOKPBELHQGNU-ODLFYWEKSA-N 355.419 3.684 30 40 FHEB C=CCOc1c(Br)cc(C(=S)N2CCCC2)cc1OC 33733033 VNDSUAFAGOXVRB-UHFFFAOYSA-N 356.285 3.794 30 40 FHEB C[C@H](OC(=O)CC[C@H]1CCCO1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862125 YADRXVKJWWQTAI-HSSTVOHKSA-N 371.477 3.758 30 40 FHEB N#C[C@H](COC(=O)c1cccc(NC(=O)C2CC2)c1)Cc1cccs1 89779604 SDUULMQCLRVFDG-CYBMUJFWSA-N 354.431 3.636 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 215706235 UPKCREYZOVXTPF-UHFFFAOYSA-N 366.368 3.715 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515689 MUIJAPLNNCMAGK-NJDAHSKKSA-N 369.486 3.735 30 40 FHEB N#Cc1ccccc1CO/N=C/c1cccc(I)c1 408594178 GQWXQBZKERAQPJ-VCHYOVAHSA-N 362.170 3.714 30 40 FHEB COc1cc(N2CCOCC2)ccc1/C=N/c1cc(Cl)ccc1OC 409242249 WGZUDIPXFSOPMN-FYJGNVAPSA-N 360.841 3.944 30 40 FHEB CC[C@@H](C)Oc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409406638 KOXCVGPMPRHZBR-VQOQZMAISA-N 372.852 3.658 30 40 FHEB CC1CCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)CC1 12417803 YZCJMBXHWPHCQW-ATJXCDBQSA-N 351.425 3.983 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)sc2c1CCC2 4505122 AEFXRPVFILOSAE-HNNXBMFYSA-N 371.849 3.894 30 40 FHEB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c1 4901469 LOMPMWONKQWSTK-IBGZPJMESA-N 367.401 3.501 30 40 FHEB COc1cc(C#N)ccc1OC(=O)c1ccc(Br)cc1F 12613540 MIKHIWKVBLIFAZ-UHFFFAOYSA-N 350.143 3.688 30 40 FHEB N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2C#N)c2ccccc2)c1 12729023 BOVWUIFQGRFQGR-UHFFFAOYSA-N 373.437 3.825 30 40 FHEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@H](C)c1cccs1 13155168 HTJLKTJOXUJGRF-NEPJUHHUSA-N 352.419 3.645 30 40 FHEB CCOP(=O)(OCC)/C(C#N)=N\OC(=O)Nc1cccc(Cl)c1 13756981 AVQXGARWEFHBQS-ATVHPVEESA-N 359.706 3.992 30 40 FHEB Cc1ccccc1C(=O)OCC#CCSc1nnc(-c2ccccc2)o1 4704607 ABFWAQUKUUMVCH-UHFFFAOYSA-N 364.426 3.998 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Nc2ccccc2F)C1=O 97939412 OGXXUPLEVMUQCB-GOSISDBHSA-N 364.421 3.533 30 40 FHEB C/C(=N/Cc1ccccc1)c1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C 4494426 OZLHKGPGGZIKNC-JLPGSUDCSA-N 373.456 3.623 30 40 FHEB COc1ccccc1COc1nn(Cc2ccc(Cl)cc2)c(N)c1C#N 225840644 RTVQYAMNPVZDJR-UHFFFAOYSA-N 368.824 3.626 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nnn2CC 14196753 DRXCYCDSJMBEEW-UHFFFAOYSA-N 360.870 3.995 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccc(C(F)(F)F)c1 5425713 ZARSDVKUEPKTFM-DHDCSXOGSA-N 361.319 3.804 30 40 FHEB N#CCCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 6582159 IPKUSFMXTHBMHN-UHFFFAOYSA-N 362.458 3.661 30 40 FHEB O=c1cc(CNc2cccc(C#Cc3cccs3)c2)nc2ccccn12 25628233 WHWQGSWTNWPKJR-UHFFFAOYSA-N 357.438 3.768 30 40 FHEB O=C(Cc1cccs1)NCC#CCOc1cccc(C(F)(F)F)c1 85474051 JCXYBHPEOGKQJX-UHFFFAOYSA-N 353.365 3.508 30 40 FHEB N#Cc1nc([C@@H]2C[C@H]2c2ccc(F)cc2)oc1NCCCn1ccnc1 1775976017 NRJYHPZVVUIFHK-JKSUJKDBSA-N 351.385 3.655 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 13546611 ISLADKMLDMQIBY-YBEGLDIGSA-N 368.370 3.833 30 40 FHEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 13768534 AELWJVSBNZFHEB-YBEGLDIGSA-N 356.399 3.781 30 40 FHEB CSc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 5127691 DDVAYQZEVRLHSL-AWNIVKPZSA-N 355.459 3.772 30 40 FHEB N#Cc1ccc(Cc2cnc(NC(=O)Cc3cccc(F)c3)s2)cc1 24969840 AHHRQXLCVUTGHQ-UHFFFAOYSA-N 351.406 3.926 30 40 FHEB C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC 2071192 NCDKHWWZJNOYRS-LCYFTJDESA-N 359.765 3.851 30 40 FHEB Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2ccccc12 2627465 WSLIYCCUZRHOFO-UHFFFAOYSA-N 362.385 3.845 30 40 FHEB C[S@@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N 4060108 ACLKUAXMPVMBMM-QFIPXVFZSA-N 353.230 3.855 30 40 FHEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 4069847 WVEZJTLETPOUCR-UHFFFAOYSA-N 350.359 3.842 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 4754979 CIULBBMAMMCPQW-NVMNQCDNSA-N 373.825 3.986 30 40 FHEB CN(c1ccccc1)S(=O)(=O)c1cccc(/N=C/c2ccccc2O)c1 4948120 COMLXIXXAZAWSZ-RCCKNPSSSA-N 366.442 3.968 30 40 FHEB CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F 6785508 RPDDLIJMJRYUGH-UHFFFAOYSA-N 357.454 3.708 30 40 FHEB C=CCc1ccccc1OCCn1c(CN(C)C(C)=O)nc2ccccc21 7425380 MDGSHHGIBOYJSM-UHFFFAOYSA-N 363.461 3.822 30 40 FHEB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 8727420 ZUSGCHQYZRJPEG-CYBMUJFWSA-N 369.494 3.918 30 40 FHEB CC(C)(/C(=N\c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 16951381 YJGDHKIJUOQMCF-XUTLUUPISA-N 353.422 3.935 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 18193156 KCINCLCZHYGJET-OAHLLOKOSA-N 373.865 3.896 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccnc2)cc1 19138735 SSDLHAWEYWRYBI-GOSISDBHSA-N 350.418 3.624 30 40 FHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C(=O)O1 24061322 LDEFMJOLKUUEPU-BTKRWWFXSA-N 356.321 3.527 30 40 FHEB N#Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 33231794 CMYGAVGWXZNBOK-UHFFFAOYSA-N 367.206 3.963 30 40 FHEB CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 41553570 AIAFTZNKDPZVNE-AWEZNQCLSA-N 373.338 3.916 30 40 FHEB C=CCO[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 58316628 WGESKKHZILATMK-CYBMUJFWSA-N 368.462 3.740 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c(C)c1 59250538 LOYZGFUXPCGHOV-AWQFTUOYSA-N 361.781 3.649 30 40 FHEB N#CC1(C#N)[C@@H](c2cccc(F)c2)O[C@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102717392 GVGVMAUFZVITNQ-YKCBXCCJSA-N 364.380 3.725 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 104615456 XMQIYVCNLMJDDP-QEOTZNIISA-N 357.523 3.992 30 40 FHEB CCCCCCCCCCCCNC(=O)C(=O)NCCCOC(C)C 105517368 NKMRELJBXVZRBR-UHFFFAOYSA-N 356.551 3.955 30 40 FHEB C=CCCC(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217595592 KWEYIWQCPCRUCG-OAQYLSRUSA-N 356.510 3.625 30 40 FHEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NCc1ccco1 408998627 ROWWCZSFQRHGKJ-UUYOSTAYSA-N 352.365 3.865 30 40 FHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 107347770 RFSCISGKYQADMJ-RDBSUJKOSA-N 373.334 3.551 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)COCc2ccccc2Cl)n1 48356190 RXHCCKCGXVMDAT-UHFFFAOYSA-N 372.812 3.939 30 40 FHEB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408967894 XYRZUNTTZGQUGV-OQLLNIDSSA-N 373.365 3.634 30 40 FHEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C)cc32)cc1 223721718 SPSNLTSLNHJYMN-QOCHGBHMSA-N 351.475 3.836 30 40 FHEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cs1 5040209 VJQYIJHWFFPXCE-GFCCVEGCSA-N 356.447 3.658 30 40 FHEB CC(=O)Nc1cccc([S@@](=O)C(F)(F)C(F)(F)C(F)(F)F)c1 5412277 OOSBYRCHSWWRBL-QFIPXVFZSA-N 351.243 3.543 30 40 FHEB CCc1c(C)sc(NC(NC(C)=O)(C(F)(F)F)C(F)(F)F)c1C#N 721291 CVOFUHWSZVSILT-UHFFFAOYSA-N 373.322 3.860 30 40 FHEB COCCn1c(-c2ccc(Br)cc2)cnc1SCC#N 44085281 WRTAPSLHWXSPCL-UHFFFAOYSA-N 352.257 3.575 30 40 FHEB CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCCc2ccccc21 1333244 MGBACVIYUVFKOZ-FQEVSTJZSA-N 372.476 3.842 30 40 FHEB CCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1 2208423 KGNISOMTVWMKQW-UHFFFAOYSA-N 367.474 3.516 30 40 FHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccccc2)c1C#N 4133591 SHMJUXUIZZDASO-UHFFFAOYSA-N 353.447 3.807 30 40 FHEB O=C(O)COc1ccccc1/C=N/Nc1ncc(C(F)(F)F)cc1Cl 5603633 JQQHWFBSVFZUIG-AERZKKPOSA-N 373.718 3.663 30 40 FHEB C=CCNC(=S)N/C=C(\c1ccccc1)[S@](=O)Cc1ccccc1 5855630 LRDZDMAGNZCXSS-KPUQOTSHSA-N 356.516 3.584 30 40 FHEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(C)c1 6479037 ZKDJCVFDRFMVAT-UHFFFAOYSA-N 371.491 3.627 30 40 FHEB O=[N+]([O-])c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6528561 GUGSYCYJBSTIIE-VIZOYTHASA-N 366.127 3.722 30 40 FHEB N#Cc1ccsc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8707507 MLEJNHFRNHFYMZ-UHFFFAOYSA-N 372.409 3.571 30 40 FHEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 12659612 JQWISHUBSOEHDO-UNWVZKJWSA-N 370.513 3.564 30 40 FHEB CC(C)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 16575784 IWFXLXOPDSRVHU-RHLNUJDMSA-N 365.458 3.576 30 40 FHEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccc(F)cc1 20029525 ZCRVHSPMHWSJDQ-LLVKDONJSA-N 352.394 3.672 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1F 25358761 UWSVJRCNSWSWSF-IBGZPJMESA-N 365.452 3.779 30 40 FHEB CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 96013479 SDMOYKDWUFEIGG-HNNXBMFYSA-N 369.490 3.863 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@H]4[C@H]12)c1ccccc1 100776512 UARIRGJWHKWMHN-SQTAEQRESA-N 369.505 3.863 30 40 FHEB CC1(C)CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@@H]32)C1 1772492811 FNZNQMPYMHYTSI-SDQFSJNHSA-N 361.526 3.635 30 40 FHEB CC1(C)OB([C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)OC1(C)C 1776007469 FJFGFVRYKGKNAD-QGZVFWFLSA-N 366.270 3.550 30 40 FHEB CCOc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc3c2=O)cc1 3494008 HRCIXYFWYFTTDS-CYBMUJFWSA-N 351.431 3.789 30 40 FHEB N#Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 6610120 DHTLRNPCZBFUME-QGZVFWFLSA-N 362.458 3.944 30 40 FHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 5923830 NOUISZWNQOUCIT-OAHLLOKOSA-N 367.474 3.837 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 16741398 TXOULCOFFOGVQL-INIZCTEOSA-N 355.415 3.521 30 40 FHEB C#CCn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409038150 UUROBXDSISTQBG-LIMNOBDPSA-N 365.252 3.988 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]21)c1ccccc1 409368899 RSXOGLUTSSUIDL-UGESXGAOSA-N 366.420 3.953 30 40 FHEB CCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 408707078 JHTALOUPVXDUAP-UHFFFAOYSA-N 355.276 3.864 30 40 FHEB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c(OC)c1 12807443 OCNGQZJHYGJTME-RGFVMQALSA-N 362.429 3.952 30 40 FHEB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4004521 JTEMAQOLOZDCDE-NJDAHSKKSA-N 357.388 3.816 30 40 FHEB Cc1cc(N(CCC#N)C(=O)COc2ccc(C#N)cc2)ccc1Cl 31676281 MUOTVLMIIYHSRB-UHFFFAOYSA-N 353.809 3.846 30 40 FHEB O=C1C(Br)=CC(=Nc2ccc(O)cc2)C=C1Br 4416887 WCUVWZMIHNUBFZ-UHFFFAOYSA-N 357.001 3.605 30 40 FHEB C[C@@H]1CC[C@H]2[C@H](CN3CCCC(C)(C)C3)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 6851726 ZOZKVDKCXFLHAQ-BIKQZGESSA-N 361.526 3.634 30 40 FHEB biogenic Cc1nnc(NCc2ccc(Cn3cnc4ccccc43)cc2)c(C#N)c1C 57830443 YUNGDUQHABPZIQ-UHFFFAOYSA-N 368.444 3.975 30 40 FHEB Cc1ccc(/C=N/Nc2nn3c(=O)c4ccccc4nc3c3ccccc23)o1 4183614 ZLKLQCGUSPQRKF-WSDLNYQXSA-N 369.384 3.743 30 40 FHEB COc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1O 6923816 ZRFZGTOJHCIEOM-YVLHZVERSA-N 354.431 3.909 30 40 FHEB O=[N+]([O-])c1cccc(COc2ccc(Br)cc2/C=N/O)c1 33409248 GWFMUFPKGGZVKN-LZYBPNLTSA-N 351.156 3.744 30 40 FHEB Cc1cccc2cc(C#N)c(NCCNC(=O)Nc3cccc(F)c3)nc12 35311719 AIZDNESBXFPOGX-UHFFFAOYSA-N 363.396 3.788 30 40 FHEB Cc1ccc(NC(=O)Cn2c(C#N)cc(N)c2Cc2cccc(C)c2)cc1 225860591 GNVGRAKGZSTMJA-UHFFFAOYSA-N 358.445 3.788 30 40 FHEB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC#N 96193329 LGIKFTSTTZUHLM-AQTBWJFISA-N 361.401 3.794 30 40 FHEB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CC2(C#N)CCCCC2)cc1 1118479975 YGLSTIAMOOTVNT-AWEZNQCLSA-N 356.422 3.624 30 40 FHEB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119719 JNCIHPVLYZXFKW-CFNZNRNTSA-N 360.763 3.696 30 40 FHEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5245801 YXWSFIGAPDDQRB-IIBYNOLFSA-N 372.428 3.702 30 40 FHEB Cc1c(O)c2c(c(O)c1Cc1ccc(C#N)cc1)C(=O)c1ccccc1C2=O 5352491 IBWZYNGRDHORKO-UHFFFAOYSA-N 369.376 3.644 30 40 FHEB O=C1CS/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 5749770 MCFYKMIJSASIFZ-FBCYGCLPSA-N 353.325 3.518 30 40 FHEB Cc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165027 QCWAXUZXDUVBQP-BJOHPYRUSA-N 362.355 3.873 30 40 FHEB CC(C)Cc1ccc([C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 725712364 BLTRYGIOMYBGNH-CQSZACIVSA-N 351.402 3.743 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(OCC)ccc21 100875005 DRDLRHUUARSGIL-XDOYNYLZSA-N 363.442 3.900 30 40 FHEB CSc1ccc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 4680496 HRNQWVURQLISOA-GIJQJNRQSA-N 374.263 3.946 30 40 FHEB CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 5111646 ZDKUQLRWZWWVFK-NSJLDRRZSA-N 371.462 3.922 30 40 FHEB COc1ccc(-n2c(C)cc(/C=N/n3cnc4ccccc4c3=O)c2C)cc1 6961821 PZYXGYABHPNNNT-ZMOGYAJESA-N 372.428 3.695 30 40 FHEB N#Cc1c(NC(=O)CCN2CCc3sccc3C2)sc2c1CCCC2 10341602 RPSPQHQKDJIPQY-UHFFFAOYSA-N 371.531 3.947 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cccs2)on1 14305470 OKFHJUNVDGIAPS-PXNMLYILSA-N 362.476 3.935 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1Cl 17242463 GUWKCSOQTGQIRX-OAHLLOKOSA-N 373.865 3.896 30 40 FHEB Cc1noc(C)c1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 32824013 YKVKZEAEXUPQIJ-UHFFFAOYSA-N 372.494 3.564 30 40 FHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 32891710 AFRIWMGAYUTYOE-UHFFFAOYSA-N 372.859 3.504 30 40 FHEB COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1Cl 59248502 UJNNLNNSUSMIOE-KKBVUKDESA-N 361.781 3.729 30 40 FHEB O=C1CN2C(=C1c1ccccc1)NC(=O)c1c(-c3ccccc3)csc12 101914892 OPYANECCMBEGIX-UHFFFAOYSA-N 358.422 3.916 30 40 FHEB Cc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)nc1 585294586 SDXBWFCTCPJHAG-FQEVSTJZSA-N 371.448 3.527 30 40 FHEB CCOC(=O)c1sc(N/N=C/c2cccc(Br)c2)nc1C 3959053 ZKNJICDVJPXFAO-LZYBPNLTSA-N 368.256 3.837 30 40 FHEB Cc1csc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)n1 4849044 FUWBHPNGAJLGII-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cn1 6490268 AWAHEPABJXJFGJ-FCMPTSIHSA-N 371.510 3.665 30 40 FHEB O=C(CO/N=C/c1ccccc1OC(F)F)Nc1ccc(Cl)cc1 36783813 UIEWKMRENJCPJD-AWQFTUOYSA-N 354.740 3.931 30 40 FHEB Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccccc2n1 4240889 LEMIZWPXHJGLTG-CYBMUJFWSA-N 354.479 3.762 30 40 FHEB COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)Nc1sccc1C#N 8919109 GURQDUSIZDVAHK-LLVKDONJSA-N 363.870 3.741 30 40 FHEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 216920616 QXEULWINJANHCF-UHFFFAOYSA-N 355.191 3.782 30 40 FHEB COc1ccc(Cl)cc1NC(=O)NCC#CCN(C)Cc1ccccc1 85470652 JYUQTCRMYGKXIW-UHFFFAOYSA-N 371.868 3.606 30 40 FHEB N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)O)C3)cc2)cc1 263508552 WONJPIXKUSMOOA-HNNXBMFYSA-N 365.389 3.679 30 40 FHEB O=S(=O)(/N=C(\O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 538395 JQJSFAJISYZPER-UHFFFAOYSA-N 350.827 3.544 30 40 FHEB in-man COCc1cc(C)nc(N/N=C/c2ccc(C)c(Br)c2)c1C#N 5740460 AFOXUYWZJFRNBP-AWQFTUOYSA-N 373.254 3.925 30 40 FHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)CC 12322394 PFLUOLXODDYFSU-UHFFFAOYSA-N 364.442 3.611 30 40 FHEB C=CCN1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1 19530059 VJZHJOLFHNJUOK-RXVVDRJESA-N 374.456 3.540 30 40 FHEB N#C[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)c1cc2ccccc2oc1=O 4079221 NHNDVSRWNTYPBW-KDOFPFPSSA-N 352.415 3.564 30 40 FHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 20094976 NIRRINNIYYSZPZ-XIKOKIGWSA-N 366.421 3.894 30 40 FHEB Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)cc1C 3530379 AKTADOXGZDIGRU-UHFFFAOYSA-N 354.381 3.546 30 40 FHEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2[C@H]1O/C(=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1=O 100367436 RSIBIUSOHOXXOW-ZODRONOVSA-N 370.489 3.875 30 40 FHEB COc1c2c(cc3c1[C@H](C/C(CCC=C(C)C)=N/O)N(C)CC3)OCO2 4030014 ZWCOOCOWDXKMES-WASCAKKMSA-N 360.454 3.920 30 40 FHEB biogenic CCN(CC)C(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C 13952432 BTIRGRSHXQFMAH-UHFFFAOYSA-N 369.490 3.982 30 40 FHEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)C1(c2ccc(F)cc2)CCC1 66867289 BBYBOVYSYZOPFT-GOSISDBHSA-N 374.419 3.919 30 40 FHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 5923972 LYVFGKJTONQQQX-AWEZNQCLSA-N 373.503 3.898 30 40 FHEB N#Cc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 7921078 DGWIZWXAWQHFSI-UHFFFAOYSA-N 357.398 3.877 30 40 FHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409306875 SFJGRKDSLBXJFP-UHFFFAOYSA-N 371.238 3.560 30 40 FHEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCC#N)cc3)S2)cc1 408786876 WYYAKRTUUXRJPT-MTGKDYNDSA-N 365.458 3.751 30 40 FHEB C=CCc1cc(/C=N\NC(=S)Nc2ccccc2)cc(OCC)c1O 39940411 HJROTKMQBXGMGU-MOSHPQCFSA-N 355.463 3.840 30 40 FHEB C=CCOc1cccc(NC(=S)NCCN(C)c2ccc(C)cc2)c1 225796582 VFWCSTJAHYURBH-UHFFFAOYSA-N 355.507 3.983 30 40 FHEB CS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(-c2ccccc2)cc1 95097895 AZEUNSNYTHLQEX-UHFFFAOYSA-N 366.467 3.979 30 40 FHEB N#Cc1ccnc(OC[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 1776009274 ZCDNGSSFFKAFAD-AWEZNQCLSA-N 362.355 3.662 30 40 FHEB CCc1nnc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)s1 3026301 WUWCRFTUFYIJIP-AWQFTUOYSA-N 362.418 3.538 30 40 FHEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208440861 DJVYECCZYOGRRV-BOPFTXTBSA-N 352.459 3.988 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 6407218 SGJXROWDQQFGNE-LJQANCHMSA-N 365.429 3.610 30 40 FHEB CCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 100302746 HVWQCYFCHMMOAP-UHFFFAOYSA-N 371.518 3.908 30 40 FHEB COCCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N 2393311 PUDKSUOPPOPELX-UHFFFAOYSA-N 356.209 3.880 30 40 FHEB C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 2469463 XGFHXLZQGHYMDJ-CYBMUJFWSA-N 369.417 3.596 30 40 FHEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1ccc2ccccc2c1 104237977 JXIJHIBMMXWBIK-WQRHYEAKSA-N 359.341 3.879 30 40 FHEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 39570143 YCAVJVPHYWBSSV-QFIPXVFZSA-N 355.397 3.679 30 40 FHEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14187950 FUYXQOPYKXXKMV-LHUXKHBRSA-N 360.413 3.706 30 40 FHEB CCOc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7462671 YIYVXHAHAQMPRE-AWEZNQCLSA-N 364.401 3.959 30 40 FHEB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C#N)cc1 8708701 KSJHMTHQCZLDHC-UHFFFAOYSA-N 373.206 3.541 30 40 FHEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1 408777626 DOTOZWYYAWQJOW-MTGKDYNDSA-N 365.458 3.751 30 40 FHEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(C)c1 224650351 MCCSSGYBTIJIEQ-UHFFFAOYSA-N 353.390 3.663 30 40 FHEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c1 83316664 KUSQIQOELRJYLT-YVLHZVERSA-N 367.430 3.972 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 13995670 KVKFWEXTKXDFHX-UHFFFAOYSA-N 352.434 3.743 30 40 FHEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 5551713 JBTPKQOVLOZRAC-YVLHZVERSA-N 352.415 3.869 30 40 FHEB CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 22323097 MJNBQJMNLLTFJT-FVQJWRHTSA-N 353.422 3.721 30 40 FHEB CSc1nc(C)c(C(=O)CSc2nc(C)cc(C)c2C#N)cc1C#N 12560820 SCWRZSFFZYCATI-UHFFFAOYSA-N 368.487 3.842 30 40 FHEB Oc1c(Br)cc(/C=N/Nc2ccccn2)cc1Br 5332384 JPPQUBVJDINQJH-FRKPEAEDSA-N 371.032 3.758 30 40 FHEB C=CCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] 20897757 RDQQMHQPGAHCDS-UHFFFAOYSA-N 352.350 3.918 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nnc(-c2ccccc2)o1 7672237 DOBXZYHEWUNRMJ-UHFFFAOYSA-N 374.356 3.657 30 40 FHEB C=CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 35333373 FEYPBPOKWCYQSQ-RVDMUPIBSA-N 371.443 3.773 30 40 FHEB N#Cc1ccc(CN2CCN(c3nsc4ccccc34)CC2)c(F)c1 1140136436 AHJZUFMCFAMDEJ-UHFFFAOYSA-N 352.438 3.629 30 40 FHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 20518433 NPUWBTHXVVKEBX-WQRHYEAKSA-N 368.389 3.758 30 40 FHEB Cc1ccc2c(c1)/C(=N\O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 100780149 BMZFOVGMSZZFDN-ZBJSNUHESA-N 352.434 3.896 30 40 FHEB O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccccc2O)cc1 676458 SHQXASDILBDGFB-XSFVSMFZSA-N 358.463 3.754 30 40 FHEB N#CCCN(C(=O)COC(=O)c1ccc(F)cc1Cl)c1ccccc1 3515365 DYUBLXUADHIJBC-UHFFFAOYSA-N 360.772 3.583 30 40 FHEB Cn1cc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cn1 8783143 MEXHUENDQDYDRE-UHFFFAOYSA-N 372.465 3.906 30 40 FHEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCC3)c1O 35406348 DRJZKYUNUSSOSI-DJKKODMXSA-N 357.391 3.872 30 40 FHEB C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]3C/C(=C/O)C(=O)O[C@]3(C)CC[C@H]12 104052881 GVQAFQYHTSGAPN-KKVHJLMDSA-N 360.450 3.997 30 40 FHEB CCO/C(O)=N/c1nnc(SCCOc2c(C)cccc2C)s1 36397264 HCYWFZFSEFWOOJ-UHFFFAOYSA-N 353.469 3.908 30 40 FHEB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C#N)c3)n2)c1 3402238 RGQBAWVQDCHAJS-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB C[C@@H]1COC[C@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 89941337 BAUVLRXPACMVIN-OXQOHEQNSA-N 366.486 3.780 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1cnc(-c2ccccc2)s1 40131787 AZMUAJXEKAKWIU-UHFFFAOYSA-N 363.442 3.978 30 40 FHEB N#Cc1nc([C@H]2C[C@@H]2c2ccc(F)cc2)oc1NCCCn1ccnc1 1775976007 NRJYHPZVVUIFHK-CVEARBPZSA-N 351.385 3.655 30 40 FHEB COc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1OC 1302384 DMUWFAAHBNHWFJ-GRSHGNNSSA-N 374.853 3.787 30 40 FHEB COc1ccc(-c2nn(-c3nc4ccccc4[nH]3)c(O)c2CCC#N)cc1 14607972 XBBANPMIAKZCIV-UHFFFAOYSA-N 359.389 3.586 30 40 FHEB CCOc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 5906350 GSKSNHNJUQGSIF-PXNMLYILSA-N 356.374 3.727 30 40 FHEB biogenic C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)C1 20517923 ZRBIOUMOFYOBQD-AXLWCPOOSA-N 350.418 3.635 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)no1 102805524 JGZUCISDUCPYFX-GHNGSUTGSA-N 360.369 3.609 30 40 FHEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2C)c(OC)c1 12374197 WUWYMRDJEOEVDB-XKZIYDEJSA-N 369.490 3.978 30 40 FHEB CCNC(=S)N/N=C/c1cc(Cl)c(O[C@H](C)CC)c(OCC)c1 6596371 DYEREKCIUTYENJ-VURRPDKYSA-N 357.907 3.734 30 40 FHEB O=S1(=O)CC[C@@H](/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 100310020 BYULKXUGMYBJKD-HHGUGQKFSA-N 357.353 3.571 30 40 FHEB CCOc1cc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1O 104103313 PJENMGRQMZGZKV-MTJSOVHGSA-N 373.522 3.558 30 40 FHEB CCOC(=O)C1=C(C)Nc2ccccc2N=C1/N=C(\O)c1cnc(C)s1 58378519 DHBYXVNXLSQXBN-UHFFFAOYSA-N 370.434 3.749 30 40 FHEB CC/C(C[C@](C)(CC)[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104110590 YQDQRRVKUQSBND-GWQWUEFDSA-N 353.335 3.516 30 40 FHEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(C(C)C)cc4)c(O)nc3c2c1 2288475 JMFPMYKWSRZFID-SSDVNMTOSA-N 360.417 3.897 30 40 FHEB C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 5613126 HXSBIPIJHJHQJE-HYARGMPZSA-N 361.474 3.523 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 9437831 NMEDVJZVEYDNDR-OAHLLOKOSA-N 360.413 3.976 30 40 FHEB COc1cc(/C=C/C(=O)Nc2ccc(SC)cc2)ccc1OCC#N 16832837 RUYRVDFZXBMOCD-ONNFQVAWSA-N 354.431 3.971 30 40 FHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767631 ILIHIYXBKBSSCX-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB COc1cc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)ccc1O 1093687 NWAUNHQGZCKPOD-RGVLZGJSSA-N 366.377 3.862 30 40 FHEB COc1ccc(/C(C)=N/OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 5093204 YTQJQMDUOCLHHT-FEMZRVCOSA-N 358.482 3.863 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@@H](C[C@@H]12)[C@@]1(C(C)C)O[C@@H]31 5104529 JUHNXYHDDHYJAM-PIGALZIESA-N 362.510 3.965 30 40 FHEB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cn3)CC[C@@]1(C)/C(=N/O)C2 13080885 NKLLQKRAJINUMX-PWIMYCEHSA-N 366.259 3.829 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(O)cc2)cc1 19138110 FTYZXPDMJLXIDB-IBGZPJMESA-N 365.429 3.935 30 40 FHEB N#Cc1cn(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c2ccccc12 226362861 LJDUFYHEALRTFG-UHFFFAOYSA-N 360.373 3.710 30 40 FHEB C[C@H](OC(=O)CSc1ccccc1)C(=O)N(CCC#N)c1ccccc1 21687851 RKNJHAZEZNFOJG-INIZCTEOSA-N 368.458 3.657 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1cccc(F)c1 2463589 KZAXJGAONTXUKH-HOCLYGCPSA-N 374.437 3.594 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5270439 OTDNNQDPFNZFTC-YCRPNKLZSA-N 372.428 3.708 30 40 FHEB COCCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 5937162 MCQAZCVZKDTTFM-MRXNPFEDSA-N 359.882 3.928 30 40 FHEB C=CCn1c(Cc2csc(NC(=O)CCCCC)n2)n[nH]c1=S 12920289 IBXCLFKOJDLJAN-UHFFFAOYSA-N 351.501 3.693 30 40 FHEB CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(OC)cc1 17824894 FNJGFKFQLSYJGP-IKMPRTQCSA-N 364.449 3.973 30 40 FHEB C=CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 38366499 SUNOZMJYNJATAL-WQRHYEAKSA-N 372.337 3.522 30 40 FHEB Cc1ccc(S(=O)(=O)O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 88241829 FUDMVFNEBLKJIF-FXAWDEMLSA-N 359.491 3.611 30 40 FHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 100370635 YILSENJQWNVZSC-FYJGNVAPSA-N 367.430 3.642 30 40 FHEB Cc1occc1C(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)nc1 104095905 MMSWGCJKOINZGC-SFHVURJKSA-N 360.369 3.767 30 40 FHEB C=CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 199404751 QSQGMIBSXFPGJW-UHFFFAOYSA-N 364.489 3.780 30 40 FHEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224645854 ABPRTBDJXLANRK-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2\C=C[C@@](C)(c3ccccc3)CC2)cc1 4273489 AFVJLMHQMTUVEK-QOJBNDRUSA-N 354.475 3.937 30 40 FHEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1cccs1 13477481 RRXCQTIWJNRWFD-XYVZQPIASA-N 355.488 3.811 30 40 FHEB COc1cccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c1OC 13777899 MUNVZBQLCYYCQN-ZDLGFXPLSA-N 366.369 3.635 30 40 FHEB Cc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(C#N)c1C 24361681 ZKZKJWBEMXCFDH-AWEZNQCLSA-N 353.447 3.766 30 40 FHEB O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2cccs2)c1 28380290 CGXBXMMBENIIOD-VIZOYTHASA-N 365.827 3.739 30 40 FHEB CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)cc1 96005561 DTFIGIFECBMCQR-QGZVFWFLSA-N 372.469 3.812 30 40 FHEB N#Cc1c(Cc2ccccc2)nn(Cc2ccc(Br)cc2)c1N 225843335 AZTJFJJVEJXTPQ-UHFFFAOYSA-N 367.250 3.739 30 40 FHEB N#CC1(CNC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 582107546 HKPXUEIWOIQNJU-UHFFFAOYSA-N 367.371 3.778 30 40 FHEB Cc1cc2nnc(SCC(=O)Nc3ccccc3C#N)n2c2ccccc12 1465567 XTTSEQSEWQUSLC-UHFFFAOYSA-N 373.441 3.793 30 40 FHEB Cc1nc(SCC(=O)NCc2ccccc2)c(C#N)c2c1CCCC2 1471614 CIRMSIFSSDLNJV-UHFFFAOYSA-N 351.475 3.549 30 40 FHEB CCc1cc2c(SCC(=O)Nc3cccc(C#N)c3)ncnc2s1 2622489 DRRMZVYHSMPGFM-UHFFFAOYSA-N 354.460 3.856 30 40 FHEB N#Cc1c2n(c(=S)n(-c3ccc(OC(F)F)cc3)c1=O)CCCCC2 2637895 KEUSRDANYCXYJM-UHFFFAOYSA-N 363.389 3.568 30 40 FHEB CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009248 IMTJRLLTZFPQHO-UHFFFAOYSA-N 365.458 3.800 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1C 5376843 MRGTZRDQRQDSJZ-YBEGLDIGSA-N 352.415 3.893 30 40 FHEB COc1cc(/C=C2\Sc3ccccc3C2=O)cc(OC)c1OC(C)=O 13424354 SHAJNCLHIWNGOR-YVLHZVERSA-N 356.399 3.959 30 40 FHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 32559449 WQZOFLRECJYNJI-YOEHRIQHSA-N 358.511 3.911 30 40 FHEB N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 40154886 BLLPOIYRAPHEMF-UHFFFAOYSA-N 362.414 3.521 30 40 FHEB CS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(-c2ccccc2)cc1 96532093 WDPOHDFNQQUZGA-UHFFFAOYSA-N 354.456 3.939 30 40 FHEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225099998 CDUSMGAVCXKTSY-UHFFFAOYSA-N 365.426 3.614 30 40 FHEB C#CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409077431 DSOAVRITOQOJMD-VBKFSLOCSA-N 358.825 3.577 30 40 FHEB CC(C)(C)OC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C1CC1 720178854 WOPZBQCIGAMZLJ-UHFFFAOYSA-N 373.302 3.888 30 40 FHEB C[C@@H](c1cccc(C#N)c1)N(C)c1nnc(-c2scnc2C2CC2)n1C 1121437260 ZYPPBUIJBIJIKE-LBPRGKRZSA-N 364.478 3.885 30 40 FHEB Cc1ccc2nc(SCC(=O)NCc3cccs3)c(C#N)cc2c1 4848897 ZDEDIPHZBVIJOT-UHFFFAOYSA-N 353.472 3.885 30 40 FHEB Cc1nnc(Sc2ccc(/C=N/c3ccc(O)cc3)cc2[N+](=O)[O-])[nH]1 6588361 INFLSDAPDKHKGR-RQZCQDPDSA-N 355.379 3.629 30 40 FHEB Cc1ccc(O)c(/N=C/c2cc(I)ccc2O)c1 1445156 OMQLTAAKPCSKNU-LZYBPNLTSA-N 353.159 3.761 30 40 FHEB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 59287182 MMOUPOYEHUZLEN-NRFANRHFSA-N 361.489 3.761 30 40 FHEB COc1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1 27793573 RLBUDOFMPZLAFQ-LJQANCHMSA-N 362.433 3.937 30 40 FHEB COCC/N=C(\S)N/N=C(\C)c1ccc(Cl)c(Cl)c1Cl 13686874 IUHHPRPBHKHHQJ-REZTVBANSA-N 354.690 3.893 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 408585166 BVWZBAVSIPIEKD-UHFFFAOYSA-N 370.821 3.992 30 40 FHEB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1sccc1C#N 7364200 XEBQJLAQSYHHMR-NSHDSACASA-N 369.475 3.535 30 40 FHEB CCOC(=O)c1sc2nc(OCC)c(C#N)c(-c3ccccc3)c2c1N 8715023 KUQBFJXMQBBINJ-UHFFFAOYSA-N 367.430 3.993 30 40 FHEB N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 89851254 XLDBUQYGWYLODC-ZDUSSCGKSA-N 359.414 3.932 30 40 FHEB N#Cc1nc(-c2cccnc2)oc1N1CCN(c2cccc(Cl)c2)CC1 35672297 HAFYPDUTMAPTTO-UHFFFAOYSA-N 365.824 3.588 30 40 FHEB C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1cncn1 79143168 PIIAQEFWEWSHRV-VXGBXAGGSA-N 357.483 3.562 30 40 FHEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)cc3)nc2c1 226344479 VTZJBSDOZYRPFD-UHFFFAOYSA-N 373.181 3.922 30 40 FHEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)cn1 585295279 SOBNTOWQGOVHPD-FQEVSTJZSA-N 356.433 3.824 30 40 FHEB C[C@@H](Oc1ccccc1C#N)C(=O)OCc1csc(Br)c1 46254747 LDHXAXVQXPIRGM-SNVBAGLBSA-N 366.236 3.893 30 40 FHEB CCCCCCCN/C(CC)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100171807 BOXVWZMBHQSHLD-WAIALKQBSA-N 351.487 3.568 30 40 FHEB C[C@H](NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@H]12)c1ccccc1 6623786 UARIRGJWHKWMHN-VESONXEJSA-N 369.505 3.863 30 40 FHEB N#Cc1ccccc1Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 24990075 GMKQKNSUQXIZIH-UHFFFAOYSA-N 355.319 3.849 30 40 FHEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCC1=CCCCC1 12869273 FFEKTSIHIGFZST-WFTGQSOZSA-N 373.537 3.994 30 40 FHEB biogenic Cc1cc(O)ccc1N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 6023532 NQYIMUIFLQYOEJ-UHFFFAOYSA-N 366.442 3.948 30 40 FHEB Cc1cc(SCC(=O)NCCC(C)C)n2c(nc3ccccc32)c1C#N 4269507 YKGDVIOIBVXGIQ-UHFFFAOYSA-N 366.490 3.922 30 40 FHEB CCn1ncc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c1C 6556027 UVKAJEWPCYRDKH-AATRIKPKSA-N 365.227 3.584 30 40 FHEB O=[N+]([O-])c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])c(Br)c1 4771118 YHJDRNXRVKQFDN-NVNXTCNLSA-N 365.143 3.712 30 40 FHEB Cc1ccc(C(C)C)c(OC/C(O)=N/C2=NCC(=O)N2c2ccccc2)c1 17179789 JSNWDDDOXVXQSA-UHFFFAOYSA-N 365.433 3.857 30 40 FHEB Cc1cc(/N=C/c2cn(CC(N)=O)c3ccccc23)ccc1Br 409386499 USFAPHUIQJQBOI-ZVBGSRNCSA-N 370.250 3.948 30 40 FHEB C=CCOc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225730847 XXXCBVHMBLNLBU-CALCHBBNSA-N 361.555 3.906 30 40 FHEB C=CCc1ccc(OCCN2C(=O)[C@@H](C)CNc3ccccc32)c(OC)c1 82087135 HBZKTGFCVRJEJM-INIZCTEOSA-N 366.461 3.897 30 40 FHEB N#CC1(C(=O)N2Cc3cc(Oc4cccnc4)ccc3[C@H]2c2cnco2)CC1 96087073 QTXVDWADSSPFKM-IBGZPJMESA-N 372.384 3.597 30 40 FHEB CCOc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1 256048259 RUWACGBIEPMVSN-QGZVFWFLSA-N 359.433 3.532 30 40 FHEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(O)cc3)n2)cc1 13408221 DVEVMXXKLOVJPA-JWGURIENSA-N 350.403 3.864 30 40 FHEB CSc1c(C#N)c(N)nc2c(/N=N/c3ccccc3Cl)c(N)nn12 6182756 CBFPTRYSYBGHHX-QZQOTICOSA-N 358.818 3.556 30 40 FHEB Cc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N3)cc1 4189665 KRXRSEFQAOJBLC-IBGZPJMESA-N 357.417 3.671 30 40 FHEB COc1cc(/C=C/C(O)=C/C(=O)CCc2ccc(O)c(OC)c2)ccc1O 471270188 BWHPKBOLJFNCPW-YJNULWIISA-N 370.401 3.772 30 40 FHEB CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C[C@@H](OC)[C@H]1C 2332243397 QTXLWZOBBNIAHP-HPNSKEDHSA-N 366.498 3.746 30 40 FHEB Cn1c([C@@H](C#N)C(=O)COc2ccc3ccccc3c2)nc2ccccc21 51103722 BNYUSRDDRBVYDE-SFHVURJKSA-N 355.397 3.982 30 40 FHEB C/N=c1\scc(-c2cc(C)[nH]c2C)n1/N=C/c1ccc(NC(C)=O)cc1 23611700 MHMAQPHCCNGPFO-DLICXRCESA-N 367.478 3.533 30 40 FHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 23718313 OFVYMERWRCFUDH-IWHGQQBYSA-N 356.761 3.828 30 40 FHEB O=C1C2=C(N=C3SCCC(=O)N3[C@@H]2c2ccccc2F)c2ccccc21 1407037 YOEBVNNUFUVFLA-GOSISDBHSA-N 364.401 3.810 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 5195413 BXVARRUDFDVRME-XACIZNRCSA-N 356.349 3.772 30 40 FHEB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4488231 NMEDTCYMUVXYCB-BFUOFWGJSA-N 364.380 3.734 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 6466246 MAJHSNBKLUMKGT-KBPBESRZSA-N 362.385 3.621 30 40 FHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 5429898 NDFIDJFNGKDWPE-KDOFPFPSSA-N 350.418 3.528 30 40 FHEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 5782895 DSWLEPDAYNNGIR-INIZCTEOSA-N 371.234 3.960 30 40 FHEB N#Cc1cc2c(nc1NC(=O)CCc1cnn(-c3ccccc3)c1)CCCC2 95986325 JHHGBRGGQOEIBI-UHFFFAOYSA-N 371.444 3.589 30 40 FHEB COc1cc(C#N)ccc1OC(=O)COc1ccc(C(F)(F)F)cc1 40140839 XNIRLSPXLXPPHQ-UHFFFAOYSA-N 351.280 3.570 30 40 FHEB CCOc1cc(CNC(=S)Nc2ccc(CC#N)cc2)ccc1OC 225770349 PGEBDRJLEQVTMM-UHFFFAOYSA-N 355.463 3.647 30 40 FHEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)c1 223757305 JFGQECVVJHJFGB-XLNRJJMWSA-N 355.438 3.721 30 40 FHEB CCCCCCCCOCCNC(=O)c1cc(OC)c(OC)c(OC)c1 100282659 GFUHMQDKXYEGSG-UHFFFAOYSA-N 367.486 3.819 30 40 FHEB biogenic,in-vitro CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2C)cc1OC 108251792 XNJJQEWWBSBXIT-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB Cc1nnc(S)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611098 TZSZZDSXMDWKCK-CNHKJKLMSA-N 366.805 3.722 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 5130425 QDNBQTKHCDXPHV-NSHDSACASA-N 362.886 3.544 30 40 FHEB NC(=S)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 5236899 UJLOPLPXOKEVRL-UFWORHAWSA-N 354.262 3.740 30 40 FHEB CCN(C(C)=O)c1nc(/C=C2/CCc3cc(OC)ccc3C2=O)cs1 96930366 XBCNQIIMKIEKQI-ZROIWOOFSA-N 356.447 3.737 30 40 FHEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccccc1 17027442 LALHWOWMKHKOOD-UHFFFAOYSA-O 352.845 3.681 30 40 FHEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OCC 408913200 UCHWKPFKWWXQLR-JAIQZWGSSA-N 356.382 3.572 30 40 FHEB CC1(C)OB(c2cc(C(F)(F)F)ccc2Br)OC1(C)C 307435302 KMHUIPSBENUFFL-UHFFFAOYSA-N 350.971 3.767 30 40 FHEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1cccs1 225141463 NMJTWWUVXTUAAG-UHFFFAOYSA-N 365.476 3.615 30 40 FHEB CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1 223810421 MJRNJTKHFCHOAQ-GOSISDBHSA-N 353.393 3.946 30 40 FHEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@H](C)Sc2ccccc2)cc1 48472656 YBMCFQYAJKHOMT-ZDUSSCGKSA-N 363.460 3.715 30 40 FHEB CN(C)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 40112252 LUJKPYQAXWWZON-UHFFFAOYSA-N 363.339 3.818 30 40 FHEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)C(=O)C[C@@]21C 30729248 XRYZUTZZFFLDKN-MWTXUKJESA-N 350.886 3.810 30 40 FHEB biogenic,in-vitro N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C(=O)O)C3)c2)cc1 263483385 LQVNUMUYBYNOGX-OAHLLOKOSA-N 365.389 3.679 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2cccc(F)c2)c(C#N)c1C 871972 MOQYSTSLKXNWSG-UHFFFAOYSA-N 359.426 3.802 30 40 FHEB CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C#N 4719200 NUDDMMBDHWHOEH-UHFFFAOYSA-N 360.351 3.559 30 40 FHEB CN1/C(=C\C=N\N2C(=O)NC3(CCCCC3)C2=O)C(C)(C)c2ccccc21 8125924 AEYGUEIHIAAMGZ-MVBLSYBJSA-N 366.465 3.538 30 40 FHEB C=CCN(C(=O)CSc1nc(O)c2ccccc2n1)c1ccccc1 12363488 KOGVWBGSUZZTTK-UHFFFAOYSA-N 351.431 3.647 30 40 FHEB biogenic,in-vitro COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20672630 HNSYPUYMANZNGS-FQEVSTJZSA-N 363.417 3.931 30 40 FHEB COc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1 36274439 JACZQYQYJWAVTG-DLTPIXJPSA-N 363.461 3.852 30 40 FHEB Cc1nc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)sc1SCC#N 53650683 KTQLRQHNVJARCG-UHFFFAOYSA-N 370.459 3.678 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 61991160 MIVSQBNBIGTKAZ-QLMDLOKJSA-N 359.510 3.600 30 40 FHEB biogenic COc1ccc2ncc(S(=O)(=O)c3cccc(C#N)c3)c(Cl)c2c1 72329764 OXPHJEYDZBESPP-UHFFFAOYSA-N 358.806 3.601 30 40 FHEB O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102801244 UOJKPWUROUAEFY-LFVOPCPISA-N 374.371 3.847 30 40 FHEB COC1=CC=C/C(=C/C=C2\Oc3c(cccc3OC)C=C2C(C)=O)C1=O 409415758 PRBANZHYULZLLJ-HRBPJWPPSA-N 350.370 3.540 30 40 FHEB C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103547930 JFDAGRQBXXAVSD-UHFFFAOYSA-N 354.115 3.819 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)nc1 25282120 QBJKWSQLPAROBL-UHFFFAOYSA-N 360.461 3.687 30 40 FHEB CCCCCCCCCC[C@H](Sc1nnc(O)nc1O)C(=O)OCC 104210088 WKVOECQBWDOIBJ-ZDUSSCGKSA-N 371.503 3.837 30 40 FHEB CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 2406708 KPHFDFLRUYKHFZ-UHFFFAOYSA-N 368.481 3.818 30 40 FHEB C[C@H]1CCCN(CN2C(=O)/C(=N\c3ccc(F)cc3)c3ccccc32)C1 100152915 LJEFJDPCXLJUDA-DCBSDEPNSA-N 351.425 3.983 30 40 FHEB COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c(OC)c1 20672642 JWAHWIUOYUGCFM-FQEVSTJZSA-N 363.417 3.931 30 40 FHEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1)[C@@H](C#N)C(=N)O2 13766012 JKNAEKWEAVBGFU-IEBWSBKVSA-N 358.401 3.587 30 40 FHEB C/C(=N/OC(=O)c1c(-c2ccccc2Cl)noc1C)c1cnccn1 5721517 TYJQMXJTNQFNRR-FBHDLOMBSA-N 356.769 3.674 30 40 FHEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 95406122 FQQRAINLXXHMQA-GFCCVEGCSA-N 363.343 3.616 30 40 FHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218348443 BIBCGVOYESDXBK-OALUTQOASA-N 350.443 3.531 30 40 FHEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2)c(OC)c1 12374171 WDZHTTLMRJXFPY-BKUYFWCQSA-N 355.463 3.670 30 40 FHEB O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 19594492 RMAASGYPYIMVKB-BBVFFXRHSA-N 368.820 3.803 30 40 FHEB N#Cc1ccc(NCC2(c3cccc(Br)c3)CCOCC2)nc1 52487307 SUHLRAMVNSSUKE-UHFFFAOYSA-N 372.266 3.876 30 40 FHEB N#Cc1c(CCCNCc2ccc(-c3ccccc3Cl)s2)n[nH]c1N 32907251 OLDRVEMYPLUPQF-UHFFFAOYSA-N 371.897 3.968 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 677276 PEIBLUCOYUCRAB-IBGZPJMESA-N 355.434 3.615 30 40 FHEB COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)c(OC)c1 940375 OJKPQWWPKQTYAG-SRZZPIQSSA-N 368.462 3.778 30 40 FHEB Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 1354426 GLKWLQVECQPEBT-UHFFFAOYSA-N 351.431 3.725 30 40 FHEB aggregator C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(F)cc1 2487259 PQHGYSBJKMVMGD-GDBMZVCRSA-N 374.437 3.594 30 40 FHEB C=CC[N+]1(CC#CCOC(c2ccccc2)c2ccccc2)CCOCC1 4425147 OZAHQGAJFUISJE-UHFFFAOYSA-N 362.493 3.829 30 40 FHEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502367 YHRMIFSXFOSEOD-YWZLYKJASA-N 360.417 3.904 30 40 FHEB COc1ccccc1C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4905754 MGGBGHPSRGHWGB-UHFFFAOYSA-N 353.205 3.674 30 40 FHEB COc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1O 5556595 GCILKTUEQFTIFG-ZVBGSRNCSA-N 354.435 3.730 30 40 FHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1 5861039 ZARPCUZJHDFBAT-UHFFFAOYSA-N 364.788 3.608 30 40 FHEB N#Cc1ccccc1COC(=O)COc1ccc(F)cc1Br 7730807 UZRNFHMFNYUQAH-UHFFFAOYSA-N 364.170 3.582 30 40 FHEB CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13635102 PTSVUEKVLLIYQN-UHFFFAOYSA-N 361.511 3.533 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 27983993 KMLCWRMTNLXLIW-HZPDHXFCSA-N 355.434 3.837 30 40 FHEB O=[N+]([O-])c1cccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)c1 30846436 ORWQAAAADPKHTB-UYRXBGFRSA-N 365.418 3.706 30 40 FHEB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(C#N)cc3)c2C)c1 32610103 KQHUJFIJEPDMEZ-UHFFFAOYSA-N 360.417 3.681 30 40 FHEB C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 32759212 YIFKSLHYRGQXLM-CQSZACIVSA-N 359.857 3.759 30 40 FHEB Cc1nnc(S)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611338 XLBQTKJKEXNCDP-CNHKJKLMSA-N 366.805 3.722 30 40 FHEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 100439932 YAUAALOIVRUZST-LFVOPCPISA-N 374.371 3.847 30 40 FHEB COc1cc2c(cc1OC)-c1cc(-c3cccs3)c(C#N)c(=N)n1CC2 101369841 YENJWRZYSOPYDM-UHFFFAOYSA-N 363.442 3.808 30 40 FHEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)ccc1O[C@@H](C)C(=O)O 409021186 YUOOVMRYAQKWPZ-NJDFMEINSA-N 358.350 3.514 30 40 FHEB N#Cc1cnc(N2CCC[C@H](COc3ncccc3Cl)C2)c(Cl)c1 2087131343 FWPULCZUSOKDBK-LBPRGKRZSA-N 363.248 3.950 30 40 FHEB COc1ccccc1N(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O 1722488 NESAYAUVALVXLY-UHFFFAOYSA-N 355.777 3.578 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCCC2 4088508 JIUVSOYBEFOPCC-INIZCTEOSA-N 354.431 3.667 30 40 FHEB CSc1nnc(-c2ccccc2)n1/N=C/c1cc2c(cc1Cl)OCO2 5515352 WBKFBDBVXRDNSJ-DJKKODMXSA-N 372.837 3.931 30 40 FHEB Cc1cc(C)n(-c2n[nH]c(=S)n2/N=C/c2c(Cl)cccc2Cl)n1 7757160 PLJIMZCQJOVQQJ-REZTVBANSA-N 367.265 3.932 30 40 FHEB COC(=O)COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195160 BOTSEOOAONCTEO-AWQFTUOYSA-N 367.232 3.669 30 40 FHEB Cc1cccc(COc2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)c1 84210724 XWPJTMQYLAMMIP-FQEVSTJZSA-N 352.459 3.703 30 40 FHEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224802388 KDJUSGFFPWHVPP-UHFFFAOYSA-N 361.463 3.648 30 40 FHEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccc([N+](=O)[O-])cc1 28294283 JBERCQKCXNTOOZ-AWEZNQCLSA-N 361.810 3.710 30 40 FHEB C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 4857036 LNLOTZUBRNFARY-LBPRGKRZSA-N 350.509 3.853 30 40 FHEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 7007729 RSJWOZMFWYAGCT-KRXBUXKQSA-N 361.737 3.608 30 40 FHEB N#CCOc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 15766195 KATPVLCMJPDFNC-UHFFFAOYSA-N 365.414 3.877 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(N(C)C)cc1 16742396 VTLYISGSEXWZQZ-KRWDZBQOSA-N 368.458 3.578 30 40 FHEB COc1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1C#N 97009628 MAQHMWPMXNVXPZ-QGZVFWFLSA-N 369.852 3.505 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC 409212834 RHIHETYFDMLCHS-LGMDPLHJSA-N 359.447 3.934 30 40 FHEB N#C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 218214155 JNOQANVBTQBXFA-PMPSAXMXSA-N 362.248 3.529 30 40 FHEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1cccs1 225141200 OSOONECIOBMZDB-UHFFFAOYSA-N 365.476 3.615 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCC2 5046248 UHVJKOBQDZBVID-NWDGAFQWSA-N 364.854 3.671 30 40 FHEB COc1cc(CCC(=O)OCc2cn3ccccc3c2C#N)cc(OC)c1 32899056 ISTJTXSRRSMCBN-UHFFFAOYSA-N 364.401 3.504 30 40 FHEB Cc1c(Cl)cccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(F)cc1 103504646 ZMVIJHHRKXTGRH-AWEZNQCLSA-N 360.772 3.514 30 40 FHEB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@]1(Cc1ccccc1)[N+](=O)[O-] 3138517 URDRDZDFIVDTOK-JOCHJYFZSA-N 372.380 3.806 30 40 FHEB CCOc1ccccc1-n1c(S[C@H](C)C#N)nnc1-c1cccnc1 3346808 MVPIJJCNDTVGMP-CYBMUJFWSA-N 351.435 3.732 30 40 FHEB N#CCSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 4986061 GEJDRHLAFFNYCE-UHFFFAOYSA-N 360.826 3.767 30 40 FHEB CCc1c(C)sc2nc(S[C@@H](C)C#N)n(C[C@@H]3CCCO3)c(=O)c12 5571493 VUJVKGJWGCITET-JQWIXIFHSA-N 363.508 3.512 30 40 FHEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 5782829 UJOHRBYAEQVCSG-JMIUGGIZSA-N 373.364 3.926 30 40 FHEB biogenic C=C(C)COc1cccc(C(=O)NCCc2ccc(OC)c(OC)c2)c1 8570637 XTRGUNQDKNSGCX-UHFFFAOYSA-N 355.434 3.631 30 40 FHEB N#Cc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 12895384 CIVPXGNFDJDIPM-DHDCSXOGSA-N 353.175 3.665 30 40 FHEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 32831757 TVOQTEUPZYUROX-AWNIVKPZSA-N 366.417 3.899 30 40 FHEB Cc1cc(C)cc(C(=O)/C=C2\SCC(=O)N2Cc2ccc(C#N)cc2)c1 58161408 YKDBDDPVDZVTEJ-FBHDLOMBSA-N 362.454 3.975 30 40 FHEB COC(=O)c1cc(/C=C2/S/C(=N/c3c(C)cccc3C)NC2=O)oc1C 96401382 JDVGJVGNWAXIIA-OQLLNIDSSA-N 370.430 3.883 30 40 FHEB COc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cc1O 97990596 MWMPGEXMSPFKMN-MHWRWJLKSA-N 354.431 3.909 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225097703 IDGQFMHIGBAQHF-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)NC1=O)OCO2 409107890 XRUUKUIQXRWLQS-RQZCQDPDSA-N 368.414 3.706 30 40 FHEB COC(=O)[C@]1(C)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@@H]2CC[C@@]52O[C@@]25[C@]2(C)CC[C@H]6[C@H]2[C@H]([C@@H]3[C@@H]61)[C@]45C 104294838 QOZOZVKTNHNZNM-GEFABHPWSA-N 366.501 3.517 30 40 FHEB N#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 3420097 GKISYASHRYZALB-UHFFFAOYSA-N 364.426 3.938 30 40 FHEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 7713839 ZAMJITMOURYGQJ-ONNFQVAWSA-N 365.401 3.549 30 40 FHEB Cc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409299583 QTBLFYMWQAKCBP-UHFFFAOYSA-N 356.223 3.658 30 40 FHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 409356079 FGZPWNYMWKGBDL-UHFFFAOYSA-N 365.776 3.898 30 40 FHEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409048354 SQYCBEXGAGADKJ-LEDJPCJYSA-N 374.440 3.768 30 40 FHEB C[C@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 40135256 XTSRDVRTYZQPKR-HNNXBMFYSA-N 362.433 3.886 30 40 FHEB C=CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257258255 KSZVSXQUOSFEBW-UHFFFAOYSA-N 354.425 3.529 30 40 FHEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1 5186574 ZISHXGYRJGOYHD-BOPFTXTBSA-N 366.442 3.982 30 40 FHEB COc1ccc(CC/N=C(\S)Nc2ccc(Br)cn2)cc1 13477222 RLCBZIZLZQWLHR-UHFFFAOYSA-N 366.284 3.793 30 40 FHEB C#CCOC(=O)c1ccc(-c2ccc(I)cc2C)o1 226301950 ZHWQDZBSYINWCJ-UHFFFAOYSA-N 366.154 3.650 30 40 FHEB C=C(C)Cn1c(NN)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2261837 GGGFYXOJJDNCDL-UHFFFAOYSA-N 350.466 3.530 30 40 FHEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2317811 HYQKBKSJTYTEBM-MRXNPFEDSA-N 365.481 3.534 30 40 FHEB CCOc1ccccc1/C=N/OCC(=O)N[C@@H](C)CCc1ccccc1 3319493 NNBCVTCLYXQKFY-HINJULBWSA-N 354.450 3.573 30 40 FHEB O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN1CCCCCC1 6192094 YSHIITUYRMCWGH-UNOMPAQXSA-N 350.418 3.779 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1Cl 17242467 GUWKCSOQTGQIRX-HNNXBMFYSA-N 373.865 3.896 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2ncc(C#N)c2N1 40288096 QGQOWAQBJSNTKD-IBGZPJMESA-N 355.401 3.682 30 40 FHEB COc1cc(/C(N)=N/OCc2cc(C)ccc2C)ccc1OC(F)F 57584773 QJTJISATGUGZQR-UHFFFAOYSA-N 350.365 3.751 30 40 FHEB CCCc1ccc(S(=O)(=O)/N=C(\O)CN(CC)c2ccccc2)cc1 89960459 JKUILBPJIPKAHU-UHFFFAOYSA-N 360.479 3.811 30 40 FHEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C 118929442 MIMWIEDHKNCDAS-KZHBUWEMSA-N 360.469 3.953 30 40 FHEB CC(C)c1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@H]4N3)C(=O)C2)cc1 9287851 SUJSWQVDAGXBGU-QZTJIDSGSA-N 352.478 3.541 30 40 FHEB CCCCCCCCCCCCCC[C@H](O)C[N+](C)(CCO)CCO 66166051 FUJQMAPXIBDMMZ-NRFANRHFSA-N 360.603 3.870 30 40 FHEB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 6648810 CLANNKVTZCMZTB-GJZGRUSLSA-N 356.495 3.547 30 40 FHEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)nc1 409105318 MRIRXXGYSVFQGJ-SRZZPIQSSA-N 350.382 3.547 30 40 FHEB C#CCOC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 226359997 UBOMUQPENISTIX-UHFFFAOYSA-N 367.202 3.849 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(Cl)ccc1Cl 5012159 DCFQQBFJLIPCTB-UHFFFAOYSA-N 359.216 3.586 30 40 FHEB C=CC[C@H]1S/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)NC1=O 18209469 SCGSWNHBPLTURS-KOMLCTQHSA-N 365.458 3.763 30 40 FHEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccco1)n1ncnc1N2 16996472 PQHRQKQFDLZTQA-SGTLLEGYSA-N 366.808 3.940 30 40 FHEB CC(C)c1ccc2c(c1)/C(=N/NC(=S)NCCc1ccccc1)C(O)=N2 103312989 UQTIALQCXZNMKU-UHFFFAOYSA-N 366.490 3.823 30 40 FHEB COC(=O)c1ccc(NC(=S)NN=C2C3CC4CC(C3)CC2C4)cc1 1085666 MSAJTWULELJWNO-UHFFFAOYSA-N 357.479 3.572 30 40 FHEB CCOc1ccc(N/N=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 105969017 BOZMTLAVRJOVCH-FXBPSFAMSA-N 356.813 3.929 30 40 FHEB O=C1C=C(c2ccc(Cl)cc2)NN/C1=C/C(=O)c1ccc(Cl)cc1 6565602 WMLVNZRLTADRGJ-MHWRWJLKSA-N 359.212 3.778 30 40 FHEB CCCCCCCNCc1cc(Cl)c(OCC(N)=O)c(OCC)c1 105248432 BBZOKQXXNCLUAA-UHFFFAOYSA-N 356.894 3.663 30 40 FHEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc3n2CCCCC3)cc1 71890623 JVQJTAWHTWLFCK-IBGZPJMESA-N 361.493 3.646 30 40 FHEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409246869 KJJNPNOTXOAYJD-LPYMAVHISA-N 372.852 3.637 30 40 FHEB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)/C(O)=N/c1ncn[nH]1 95476314 XRZCXMQRBYNQPQ-NSHDSACASA-N 355.225 3.912 30 40 FHEB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(N)n2)cc1 19557959 MDNWHNNYLHGYAR-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(OC)c1OC 20247761 WMJKFCOEXKXXAU-PTNGSMBKSA-N 370.430 3.604 30 40 FHEB CCc1ccc2nc(/N=C(\O)c3cc(N4CCOCC4)ccn3)sc2c1 25784893 CVILIJVBHCDMDV-UHFFFAOYSA-N 368.462 3.727 30 40 FHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1 63442714 ZJIJFVSTHHFPRK-UHFFFAOYSA-N 355.482 3.510 30 40 FHEB C#CCOC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 226235721 ZEIATBDOWDZSBJ-UHFFFAOYSA-N 355.191 3.782 30 40 FHEB Cc1ccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)c(C)c1 225841425 HBSOTWVHEWJYBO-UHFFFAOYSA-N 350.397 3.720 30 40 FHEB Cc1ccc(/C(=N\OS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1 14983667 GHAOMANCFBUXTJ-HMMYKYKNSA-N 357.353 3.975 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 5898710 VHXTZTNMLKOBLF-JFENUBAZSA-N 368.385 3.642 30 40 FHEB biogenic Cc1ccc2occ(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)c2c1 953585 JCDHNROMSXFYLT-FSJBWODESA-N 373.412 3.650 30 40 FHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(C)cc2)cc1 2272870 UONTWVWACGFWRX-MYAASBOSSA-N 367.474 3.858 30 40 FHEB COc1ccccc1NC(=O)/C(=C\n1c(=S)[nH]c2ccccc21)C(C)=O 5498687 JKKPDHCFLYUAPG-QBFSEMIESA-N 367.430 3.776 30 40 FHEB CN(/N=C/c1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6375491 MFRQPZWPZFPOGU-YBFXNURJSA-N 351.322 3.522 30 40 FHEB Cc1cccc([C@H](C#N)C(=O)CCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 6491107 ILCCISKRIOZMRJ-INIZCTEOSA-N 365.389 3.889 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 6494857 WPBCUVLWORKPOF-UHFFFAOYSA-N 363.398 3.705 30 40 FHEB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6824689 ZJQDOWLBAHNSCT-GOSISDBHSA-N 374.227 3.832 30 40 FHEB COc1ccc(/C=C2\Oc3c(ccc(OC(C)=O)c3C)C2=O)cc1OC 12879846 UMFCGDJGYCUKFH-ZDLGFXPLSA-N 354.358 3.554 30 40 FHEB biogenic C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 13424779 OPCBTWZIBXRBKH-ZWCUEREDSA-N 362.429 3.552 30 40 FHEB Cc1ccsc1/C=C/C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 16171960 YYGNCISIPNVALK-DKFQHHCZSA-N 369.465 3.618 30 40 FHEB O=C1N/C(=N/c2ccc(Br)cc2)S[C@H]1Cc1ccccc1 17178696 OHBYJNKFBMTCIY-AWEZNQCLSA-N 361.264 3.911 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 27984001 KMLCWRMTNLXLIW-HOTGVXAUSA-N 355.434 3.837 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)c2cc3ccc(OC)cc3[nH]2)c1C 40051739 CZSPXZQYFYKTLB-UHFFFAOYSA-N 366.417 3.821 30 40 FHEB C=CCn1c(SCc2noc(C(C)C)n2)nnc1-c1ccccc1OC 52889321 VPANFINSDDOQRO-UHFFFAOYSA-N 371.466 3.938 30 40 FHEB CC(=O)Nc1ccc(C2=NN/C(=N\c3cc(C)ccc3F)SC2)c(F)c1 63311554 NMQSINHVXNXSQK-UHFFFAOYSA-N 374.416 3.960 30 40 FHEB N#C/N=C(\N)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 4719100 VMHXKZGQWSNRRU-UHFFFAOYSA-N 367.381 3.812 30 40 FHEB O=C1N/C(=N/N=C\c2ccco2)S[C@H]1Cc1cc(Cl)ccc1Cl 4866439 WZHOLXVPAMJGMH-WUQDTEKSSA-N 368.245 3.751 30 40 FHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 14158416 PJZSSDIACJOTPW-SFHVURJKSA-N 363.392 3.595 30 40 FHEB O=[N+]([O-])c1ccc(CS(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)cc1 48536967 BMHCHQYXBWDLBQ-UHFFFAOYSA-N 374.418 3.503 30 40 FHEB CCOC(=O)/C=C/c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 79105270 BKPOKODDJWPEKX-DHZHZOJOSA-N 367.405 3.804 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2cc(Cl)ccn2)C(C)(C)c2ccccc21 97601812 YHSNVPMOSXETBS-WQRHYEAKSA-N 370.836 3.772 30 40 FHEB C[Si](C)(C)C#C[C@@]1(CO)COc2ccccc2N1Cc1ccccc1 306145526 HSONLBNVLPXVEH-OAQYLSRUSA-N 351.522 3.698 30 40 FHEB C#CCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 387283882 ZFCUCJOHAKYDSA-UHFFFAOYSA-N 361.195 3.981 30 40 FHEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NC[C@@H]1CCCO1 408804724 GYBVAGMCTYXOPI-SLCIXIPPSA-N 372.852 3.765 30 40 FHEB C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(O)CCC(=O)O)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 4217371 OHZWNMVYJJTNKU-VAFIVCJBSA-N 372.505 3.970 30 40 FHEB in-man Sc1nnc(-c2ccccc2)n1/N=C\c1cccc(Br)c1 4679897 GESPWZBVNAYMDX-YVLHZVERSA-N 359.252 3.879 30 40 FHEB Cn1cccc1/C=C1\S/C(=N/c2ccccc2Br)NC1=O 5254230 BPYJXZMIXFDBOL-LCYFTJDESA-N 362.252 3.679 30 40 FHEB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 5979043 QGTXGMKQUKIDAU-QFIPXVFZSA-N 361.445 3.823 30 40 FHEB O=C1/C(=N/O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 7737786 JRTNHHLJAFBVSY-XTQSDGFTSA-N 358.397 3.991 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(CC)CC)cc1 8478176 CHQQSPSFGDJXDW-UHFFFAOYSA-N 352.434 3.986 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1nonc1N2 12407785 HKNNJVKAHSOFFX-CYBMUJFWSA-N 351.193 3.962 30 40 FHEB COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1 13733820 UNLRULODCKFAFV-KRWDZBQOSA-N 366.417 3.970 30 40 FHEB COc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)c1 19014895 JKWAODYEHUDNSQ-UHFFFAOYSA-N 370.456 3.769 30 40 FHEB N#Cc1cccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 32610595 IJEMJUSSMDWJKP-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 32843113 HULGDGJSLQOIQH-HNNXBMFYSA-N 362.882 3.701 30 40 FHEB S=C(N/N=C\c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 33381824 IMPWGGGRTFHXJR-MXYCIJPUSA-N 351.262 3.826 30 40 FHEB CN(CC(=O)N1CCCCCC1)C/C(O)=N/c1c(Cl)cccc1Cl 82098438 GBZVMECTIRLUEA-UHFFFAOYSA-N 372.296 3.916 30 40 FHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(ccc3ccccc32)[nH]1 102387434 IDHIIVYXGXCARA-INIZCTEOSA-N 354.369 3.677 30 40 FHEB COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 103503789 SGWYWFBEYGWOLW-CQSZACIVSA-N 372.808 3.627 30 40 FHEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 224607822 SYVKZXWIEYSDFV-UHFFFAOYSA-N 361.463 3.865 30 40 FHEB C[C@H]1CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 33691478 LWHTZJIOBCVPPM-LLVKDONJSA-N 373.806 3.759 30 40 FHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1 3191394 KPGYXSNWHOYTSS-QGZVFWFLSA-N 355.434 3.664 30 40 FHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1 6684098 LRMYLYAWWIZUHK-QGMBQPNBSA-N 373.261 3.628 30 40 FHEB C/C(=N\Nc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(N)cc1 6780528 GAIGCQUEDCIOIV-MFKUBSTISA-N 369.428 3.804 30 40 FHEB N#CCCN(Cc1cccnc1)C(=S)Nc1ccc(OC(F)F)cc1 3306002 YWRYRDTVPIIAQP-UHFFFAOYSA-N 362.405 3.796 30 40 FHEB CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H]2C#N 91302778 SVOMVZGTLQYATD-SFHVURJKSA-N 355.482 3.659 30 40 FHEB in-vitro CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 118932750 HOGUPSMVUUERKH-DVBWKPSCSA-N 374.477 3.762 30 40 FHEB C[C@@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225859199 IXPSWHLMQAAHLI-CQSZACIVSA-N 370.884 3.587 30 40 FHEB CC(C)(C)c1noc(C2CN(c3ccc(Br)cc3C#N)C2)n1 685940874 YKWKONJTGXCZKZ-UHFFFAOYSA-N 361.243 3.605 30 40 FHEB C=CCNC(=S)N/C=C(/c1ccccc1)[S@](=O)Cc1ccccc1 6293458 LRDZDMAGNZCXSS-QUWQGLEASA-N 356.516 3.584 30 40 FHEB Cc1ccc(-n2nc(C)c3c(-c4ccc(O)c(O)c4)c(C#N)c(N)nc32)cc1 20533504 ZZLQDOITJMKLDB-UHFFFAOYSA-N 371.400 3.569 30 40 FHEB N#Cc1c(-c2ccccc2)cc2n(c1=N)CCc1cc3c(cc1-2)OCCCO3 101372123 STUDBPUWWNDHGR-UHFFFAOYSA-N 369.424 3.891 30 40 FHEB C[C@@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3F)N2C1=O 1407017 FTSPFNIYQMEXCJ-DYZYQPBXSA-N 364.401 3.808 30 40 FHEB C#CCO[S@](=O)O[C@@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 2038702 ZYHMJXZULPZUED-QZTZHPFYSA-N 350.480 3.919 30 40 FHEB in-vitro Cc1nc2ccc(-n3c(N)c(C#N)c4nc5ccccc5nc43)cc2s1 3300018 DHIHLLXDOHRWPT-UHFFFAOYSA-N 356.414 3.946 30 40 FHEB N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 3455938 NVLXJEDHMLHSMQ-MRXNPFEDSA-N 363.442 3.910 30 40 FHEB C#CCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033618 XBBRXIVLYUIKGF-HNNXBMFYSA-N 361.470 3.912 30 40 FHEB Cc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)S2)c1 5721990 QZINZYOPMWSCGH-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 5862185 FTLBNFMLAYNJML-KRWDZBQOSA-N 356.809 3.859 30 40 FHEB CN(C)c1ccc(/C=N/Nc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] 7737732 PLPXSWCNDLMNIQ-IFRROFPPSA-N 356.279 3.663 30 40 FHEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 7986743 MPRJGEWGXGFUCE-UHFFFAOYSA-N 365.911 3.894 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(Br)s1)c1c(O)n[nH]c1N2 12348108 VOOMCYSLRQQDDE-NSHDSACASA-N 366.240 3.504 30 40 FHEB Cc1cc(N[C@@H](CO)Cc2ccccc2)n2c(nc3ccccc32)c1C#N 78495457 KFGYWVIUGOYVBL-QGZVFWFLSA-N 356.429 3.683 30 40 FHEB COc1ccc(/C(C)=N/OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 101080513 YTQJQMDUOCLHHT-UPLXUCPZSA-N 358.482 3.863 30 40 FHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(Cl)ccc3O)C2=O)s1 107943018 RSESGAZFEOLSMV-JCMTWJOCSA-N 365.867 3.877 30 40 FHEB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 225777574 SVEDAXPSJIEDFY-UHFFFAOYSA-N 370.836 3.907 30 40 FHEB C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 408811219 KWFQQCHPLOVMBQ-BOPFTXTBSA-N 354.431 3.983 30 40 FHEB C=CCN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 687831 LALNAGCBWHCGRH-UHFFFAOYSA-N 364.854 3.544 30 40 FHEB C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 2346597 XUAVTDZZZIHFQT-QGZVFWFLSA-N 350.509 3.997 30 40 FHEB CC(=O)COc1nc2c(c(C)nn2-c2ccccc2)c(-c2ccco2)c1C#N 2507055 YYQWGLFCJMXLNE-UHFFFAOYSA-N 372.384 3.828 30 40 FHEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3cccnc3)S2)cc1 6869825 IHKLFDYTKGEZGV-ATVHPVEESA-N 352.463 3.819 30 40 FHEB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc(C#N)c1 7689341 RFAFYBWRIBQTDH-LBPRGKRZSA-N 357.460 3.550 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1Cl 7748563 PPCVUBKBQKQSSF-UHFFFAOYSA-N 365.614 3.992 30 40 FHEB N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 7910058 LKQDJQKCXOTQGI-KRWDZBQOSA-N 362.458 3.944 30 40 FHEB CN/C(S)=N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12374323 XXXWMDUYHFMIEC-JMIUGGIZSA-N 363.870 3.767 30 40 FHEB C[C@H](Oc1ccc(Br)cc1)C(=O)OCc1cccc(C#N)c1 13287160 WMKOBHXMABZJFD-LBPRGKRZSA-N 360.207 3.831 30 40 FHEB N#CC1(NC(=O)COC(=O)c2cc(Cl)sc2Cl)CCCCC1 21633743 MAVUWPPHRJBASW-UHFFFAOYSA-N 361.250 3.554 30 40 FHEB C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1C1CC1 39975828 PLDXRUYLFGPGCA-CQSZACIVSA-N 374.535 3.859 30 40 FHEB O=S(=O)(/N=C(O)/C=C/c1cccc(OC2CCCC2)c1)c1cccnc1 70030841 LZHKKTDIANNUGO-ZHACJKMWSA-N 372.446 3.762 30 40 FHEB CC[C@H](Oc1cccc(C)c1)/C(O)=N/S(=O)(=O)c1sc(C)nc1C 79172754 IZGLVYZLWYVFSX-AWEZNQCLSA-N 368.480 3.571 30 40 FHEB O=C(Nc1cccc(Br)c1)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21 100818359 XNPGYHSGWLDFRE-BZRGLIEHSA-N 364.239 3.810 30 40 FHEB CCCCCCCCS(=O)(=O)O/N=C(/C#N)c1ccc(OC)cc1 115958764 AXJNFINWUUSNRX-ZPHPHTNESA-N 352.456 3.630 30 40 FHEB CC1(C)CN(/C(O)=N/CCc2csc3ccccc23)C[C@]2(CCOC2)O1 329983949 BRFGCRFIVUWNFK-FQEVSTJZSA-N 374.506 3.628 30 40 FHEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)cc(Br)c1O 409071241 GECQHSKQWRVDIX-OMCISZLKSA-N 371.578 3.557 30 40 FHEB N#Cc1nc(C2CCCCC2)oc1NC[C@H](c1ccco1)N1CCOCC1 1775976465 MZIOIQMBPGXEOH-QGZVFWFLSA-N 370.453 3.672 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718589 BPMBVRXCNMLJQP-MRXNPFEDSA-N 350.418 3.551 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 4436330 GXBRLQCUNHTWGH-INIZCTEOSA-N 370.478 3.754 30 40 FHEB N#CC1(NC(=O)CSc2nnc(Nc3ccccc3)s2)CCCCC1 6560011 GYCCMKPOYFJTPQ-UHFFFAOYSA-N 373.507 3.716 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 7323041 MRMBAIDNUFFNHW-UHFFFAOYSA-N 361.357 3.551 30 40 FHEB CC(=O)Oc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1 408760337 WXSQODXRYPNFPI-BOPFTXTBSA-N 352.415 3.812 30 40 FHEB COc1ccccc1CN/N=C/c1ccc(-c2ccccc2C(=O)O)o1 20762417 BGDLUTZDXVEFAP-LPYMAVHISA-N 350.374 3.777 30 40 FHEB COc1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 408856766 LJRYICQXTGYLRB-WOJGMQOQSA-N 365.227 3.638 30 40 FHEB CCOCCOc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225876644 SHHOCZFCLWARNB-UHFFFAOYSA-N 354.237 3.712 30 40 FHEB C=CCC(C)(C)C(=O)N[C@H](C)C1CCN(c2nc(C(C)C)ns2)CC1 1775990228 FBCWNXCJYWTBFG-CQSZACIVSA-N 364.559 3.985 30 40 FHEB N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)nc1 110284852 XNFRZYMDFFZJEP-UHFFFAOYSA-N 358.188 3.698 30 40 FHEB N#Cc1ncn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 14143900 BHQRINOSSOLSAT-UHFFFAOYSA-N 367.821 3.633 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 13550903 OSOUOYHYRXGRBV-KVMVOAJRSA-N 352.386 3.942 30 40 FHEB COc1cccc(CCC(=O)OCc2cn3ccccc3c2C#N)c1OC 32898856 FLAVDZQYCILERH-UHFFFAOYSA-N 364.401 3.504 30 40 FHEB COC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1051457 CFSWVGCFJLUTIE-UHFFFAOYSA-N 358.366 3.966 30 40 FHEB CCc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 4848955 PHMCZUGJHWHSIZ-UHFFFAOYSA-N 354.460 3.856 30 40 FHEB C=CCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 5601063 HUSVMZIKWFAXQK-CJXOWJITSA-N 368.483 3.886 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 6813226 NZJBEITWUKRMOI-KRWDZBQOSA-N 371.458 3.671 30 40 FHEB N#Cc1c(OCC(=O)Nc2ccccc2)nc(-c2ccco2)c2c1CCC2 12324772 MNNBKZCGWLYAFG-UHFFFAOYSA-N 359.385 3.719 30 40 FHEB CC1=C(Cl)C(=O)C(Cl)=C(C)C1=NC(=O)c1ccc([N+](=O)[O-])cc1 16807766 AURVRZNAPDTCDU-UHFFFAOYSA-N 353.161 3.784 30 40 FHEB C=CCn1c(-c2ccc(OCc3ccccc3)cc2)nn(CO)c1=S 27517400 VBVCVEZVOFRFGX-UHFFFAOYSA-N 353.447 3.796 30 40 FHEB O=C1C=C(NCCC[C@@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21 42921090 OTIKYMAERVLSHD-OXQOHEQNSA-N 352.478 3.584 30 40 FHEB CC[C@@H](/C(O)=N/S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1 48492967 OBSABJQLHRCZIG-OAHLLOKOSA-N 363.435 3.543 30 40 FHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C)cc1 102530986 LOZZUJQLNPUBCN-GROYHEBESA-N 371.458 3.515 30 40 FHEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)/C1=C(\O)c1ccccc1 102930593 LRFRHTIQYUDRBV-HVESIFNPSA-N 365.410 3.963 30 40 FHEB N=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)[C@@H]1c1nccs1 139099978 YXQIPYWAAOZPJI-NMFVZGKPSA-N 364.835 3.943 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccnc1O[C@@H]1CCSC1 225726401 BPLWEBGKAZAKOT-CYBMUJFWSA-N 359.838 3.743 30 40 FHEB C#CCOc1c(/C=N/Nc2ccccc2)cc(Br)cc1OC 408816108 IUDYGPXKWYSDGN-XDHOZWIPSA-N 359.223 3.916 30 40 FHEB N#Cc1c(-c2ccc(Br)cc2)nn(Cc2ccccc2)c1N 408920712 KSIFLCFGOUSBLI-UHFFFAOYSA-N 353.223 3.815 30 40 FHEB CC1(C)OB(c2ccc(OC(F)(F)F)cc2Br)OC1(C)C 642814845 ZOQYDMSNSGWVRP-UHFFFAOYSA-N 366.970 3.647 30 40 FHEB COc1cc2c(cc1OC)CN(c1nc(C)c(Cl)c(C)c1C#N)CC2 1889125208 YAWBFNQWHWWLGV-UHFFFAOYSA-N 357.841 3.803 30 40 FHEB CC(=O)O[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 947891 JQANAUKZZDFDDI-QGZVFWFLSA-N 354.431 3.741 30 40 FHEB C=CCn1c(SCC(=O)NCCc2ccccc2)nc2ccccc21 4485693 BBJPVNXFXLSPQI-UHFFFAOYSA-N 351.475 3.673 30 40 FHEB CCc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1 4848939 RYRCGBXUIZUFBK-UHFFFAOYSA-N 351.431 3.670 30 40 FHEB N#CCCn1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c2ccccc21 6821506 OEMBMBGVUGHVKY-UHFFFAOYSA-N 373.334 3.618 30 40 FHEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 14186639 WHDCPPVKWQVRHF-CMPLNLGQSA-N 359.779 3.813 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1nc(C(F)(F)F)nc1N2 16740789 HFJOKPMIEQKBTM-ZDUSSCGKSA-N 368.746 3.972 30 40 FHEB N#Cc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 32609666 JPOYZFFQUAEPFY-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB CCOCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O 34033845 HCTZKPLQIGQRPR-UHWJJEQDSA-N 364.482 3.539 30 40 FHEB C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(-c2ccc(CC)cc2)n[nH]1 42212298 DNZJCXIXCFHAHI-AWEZNQCLSA-N 358.511 3.939 30 40 FHEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)Sc2ccccc2)cc1 48472657 YBMCFQYAJKHOMT-CYBMUJFWSA-N 363.460 3.715 30 40 FHEB CN1/C(=C\C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)c2ccccc21 100674513 AJOPZWSJXJZIJM-WQRHYEAKSA-N 367.361 3.997 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@@]132 100743694 AWARIKSVYAKVLG-XRIGEVNCSA-N 361.526 3.634 30 40 FHEB COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1[N+](=O)[O-] 408966596 PJOCIHQGGBGXBM-MHWRWJLKSA-N 369.402 3.803 30 40 FHEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OC 409106005 KJWWFLBMPDUBSI-GXDHUFHOSA-N 363.822 3.583 30 40 FHEB N#Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 557078544 GICMZSHXGKGVAT-OAHLLOKOSA-N 359.351 3.992 30 40 FHEB CCOC(=O)[C@@H](N1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 12412208 HSSLGFAIWJIOPK-OAQYLSRUSA-N 362.473 3.914 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C/c2coc3ccccc3c2=O)cc1 9051253 JWFOIFSLKOYSEZ-KEBDBYFISA-N 362.414 3.531 30 40 FHEB C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]3C/C(=C\O)C(=O)O[C@]3(C)CC[C@H]12 104052875 GVQAFQYHTSGAPN-JKIMSWRWSA-N 360.450 3.997 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8477530 RVPBTTPGSGNOCF-INIZCTEOSA-N 352.434 3.625 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1 3345171 YZDIKMRRYAZEFC-UHFFFAOYSA-N 366.392 3.691 30 40 FHEB N#CCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635876 CLCVJEPJYBHMRO-UHFFFAOYSA-N 359.414 3.780 30 40 FHEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(N2CCCC2=O)c1 13004571 DAXUHGLPKVUOMU-VAWYXSNFSA-N 357.413 3.895 30 40 FHEB CCc1nc(SCC(=O)Nc2ccc(O)cc2)c(C#N)c2c1CCCC2 6351003 IJZULEBEKLFNPB-UHFFFAOYSA-N 367.474 3.831 30 40 FHEB Cc1cc2oc(=O)cc(COC(=O)c3ccc(C#N)cc3)c2cc1Cl 5507074 TZPPDCYYKVQPQZ-UHFFFAOYSA-N 353.761 3.984 30 40 FHEB C=CCSc1ncc(Cl)c(C(=O)Nc2cc(OC)ccc2OC)n1 6748032 VGEGBTWXBMRRBJ-UHFFFAOYSA-N 365.842 3.678 30 40 FHEB Cc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 14608148 XHODRZGDKXIESP-ABKXIKBNSA-N 373.254 3.617 30 40 FHEB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 15083858 BHIIHBRYDODUQS-CYBMUJFWSA-N 364.796 3.619 30 40 FHEB N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 15882994 WMZQBLPVRVBPLZ-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB N#Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4072469 DNRGVUCKMDXEQS-UHFFFAOYSA-N 352.349 3.586 30 40 FHEB CN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2cc(Cl)ccc21 4555363 UWACZYOBENUMQP-FRTMFBJGSA-N 367.832 3.733 30 40 FHEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1 8792552 LGZYLOHOXDCKIT-UHFFFAOYSA-N 364.401 3.633 30 40 FHEB biogenic Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 9954599 YYYIZKKNNDXHTC-UHFFFAOYSA-N 373.456 3.608 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)c3ccccc3C1=N2 19832077 UTFDOICSYNMKMM-TZIWHRDSSA-N 371.392 3.821 30 40 FHEB N#Cc1ccc(NC(=O)C[S@](=O)CCC23CC4CC(CC(C4)C2)C3)cc1 32801451 IFFAWFAQKFWEBN-YDUUFUAJSA-N 370.518 3.852 30 40 FHEB O=C1C2=C(N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)C(=O)c2ccccc21 33849440 AZNNWZQEWUQLGD-BGYRXZFFSA-N 366.420 3.953 30 40 FHEB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C#N)c12 36616295 SZKAKQDVLWWNBW-UHFFFAOYSA-N 357.373 3.661 30 40 FHEB Cn1c(SCC(=O)Nc2sccc2C#N)nc2cc(Cl)ccc21 44049897 NULOSMRTOBFBRT-UHFFFAOYSA-N 362.867 3.891 30 40 FHEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 224674622 YCJQMQFICDGWIM-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1 408753361 OKTPAOQSZNYVQE-MHWRWJLKSA-N 369.402 3.803 30 40 FHEB C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886322 NPFKMQLABVLIQM-HXUWFJFHSA-N 350.418 3.989 30 40 FHEB CC(=O)c1c(C)cc(C)c(COC(=O)COc2ccc(C#N)cc2)c1C 24965369 PJCJNMVNYPJDFI-UHFFFAOYSA-N 351.402 3.808 30 40 FHEB CC(C)COc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1 5451930 KIFIQDXJONLFAS-KRWDZBQOSA-N 374.444 3.588 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 19138533 DVUPCFMLBPSHSZ-IBGZPJMESA-N 365.429 3.610 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 408732515 WCLDCASSZKQWPU-SFHVURJKSA-N 367.430 3.894 30 40 FHEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C)cc1 38361153 LVVOVIWECMCVMH-MVLGTPAKSA-N 352.415 3.958 30 40 FHEB CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 47533922 DKLOAEHRBOXVNI-GFCCVEGCSA-N 366.396 3.959 30 40 FHEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2OC)s1 224541516 VMNNTGZRJAGSRA-NSHDSACASA-N 365.480 3.621 30 40 FHEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 40146061 DGAXVRBJTQNUFC-NYYWCZLTSA-N 362.385 3.593 30 40 FHEB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1 6063816 FRMLQHWYAUMUMJ-KCXBLQSVSA-N 352.434 3.645 30 40 FHEB C=CCn1nnnc1NCc1cccc(OCc2ccccc2Cl)c1 6856469 LGTBNSQYFNTSEB-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB C[C@H](/N=C(\O)c1ccc(-c2nnn[nH]2)cc1)c1cccc(C(F)(F)F)c1 12947244 OMZJPKRUULGTHZ-JTQLQIEISA-N 361.327 3.951 30 40 FHEB C[C@H](NC(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 12974846 YMCPOJHHPCZBMI-HSWQHBDASA-N 367.361 3.569 30 40 FHEB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c1 12987278 SRCPVOHSYLLFLS-JTPHSUOKSA-N 362.429 3.952 30 40 FHEB CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)c(C)c1 20849191 FLGCWERYZHMMRD-XDOYNYLZSA-N 350.374 3.681 30 40 FHEB C=CCCOCC(=O)Nc1ccc(Br)cc1Br 48374192 VTYITRGJWXWCBP-UHFFFAOYSA-N 363.049 3.743 30 40 FHEB Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/Cc1ccc(Cl)cc1 96316591 ZVLJGECRLJAWDS-RGVLZGJSSA-N 370.796 3.655 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(OC)c21 100909567 ZSVGNHINVZWKLE-VXPUYCOJSA-N 354.431 3.647 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCC(=C)C)c1 219781064 QMPUDIHWYGKQCX-UHFFFAOYSA-N 350.418 3.810 30 40 FHEB COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)c1C 409148880 TUZQRLDVSQHLIM-LPYMAVHISA-N 356.397 3.508 30 40 FHEB CC1(C)C(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1(C)C 1675689672 WXJDGUQDVIHQBV-UHFFFAOYSA-N 357.845 3.953 30 40 FHEB COC(=O)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 2250998 LWOZGHHYOAHCKX-UHFFFAOYSA-N 352.386 3.601 30 40 FHEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2318639 CABGQAYWMOKQEX-HNNXBMFYSA-N 354.454 3.528 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 3082321 PVCGMZDEZYIOOS-IBGZPJMESA-N 369.461 3.862 30 40 FHEB C=CCNC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 3295063 ZTEDUQMKGFVDTB-UHFFFAOYSA-N 360.458 3.594 30 40 FHEB COc1ccc(OC[C@H](O)CN(CCC#N)CC(C)C)c(C(C)(C)C)c1 7064362 QJUXSCMRLRQLII-QGZVFWFLSA-N 362.514 3.604 30 40 FHEB CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)cc1 9328315 UHYBFZPHVSQOST-XDHOZWIPSA-N 370.482 3.717 30 40 FHEB C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(F)cc1 12063456 YDMRYAKJXWYKMS-HXUWFJFHSA-N 363.392 3.961 30 40 FHEB CN1/C(=C\C(=O)CSc2nnc3ccccn23)C(C)(C)c2ccccc21 18036956 NOYAGIRIKWZBMQ-ATVHPVEESA-N 364.474 3.702 30 40 FHEB Cc1ccc(O[C@H](C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 22476595 KJDODFCNRSVCPS-OAHLLOKOSA-N 361.363 3.949 30 40 FHEB COc1ccc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1Br 31833829 AKNSESCKKCFXCR-APSNUPSMSA-N 368.256 3.871 30 40 FHEB C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1 33327297 KWRNSCSNBVOWOA-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB CCN(CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccsc1 40091460 ZDTPSIOPEKKLDM-GOSISDBHSA-N 356.495 3.502 30 40 FHEB CC(=O)C(C(C)=O)=C1Nc2cc(C(C)(C)C)cc(Br)c2O1 40545702 DUSRHKSVFDMCHE-UHFFFAOYSA-N 352.228 3.941 30 40 FHEB N#Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 49771098 RMVRYDICNVBEMN-UHFFFAOYSA-N 369.852 3.768 30 40 FHEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225106445 LQTRQOCTPCUECB-UHFFFAOYSA-N 365.426 3.533 30 40 FHEB O=C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225669640 URYFTYXVERRCHJ-BZUAXINKSA-N 355.242 3.748 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 853630 DTSXZMRUWPZEJL-UHFFFAOYSA-N 356.407 3.518 30 40 FHEB COc1ccc2c(C)cc3nnc(SC[C@H](C#N)CCC#N)n3c2c1 12544064 XIWSEWVDPDLWKP-ZDUSSCGKSA-N 351.435 3.735 30 40 FHEB C=CCn1c(COc2cccc(C)c2)nnc1Sc1ncccc1C#N 12526992 QTOYBRLZSGBVSU-UHFFFAOYSA-N 363.446 3.769 30 40 FHEB CCn1ncc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 1019044 RAJBCCDMXPHRLO-WMADIVHISA-N 354.479 3.921 30 40 FHEB C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 7550937 QKEVVIQOKHCSJH-CQSZACIVSA-N 355.221 3.693 30 40 FHEB CCCCCCCCSCCOC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161906 KNFNYSLYXVWHQC-YHUYYLMFSA-N 358.500 3.502 30 40 FHEB CCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 3348699 HGTGXUGXLPIATL-UHFFFAOYSA-N 366.417 3.923 30 40 FHEB C=CCn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccncc1 9145499 TXEMSOJLCVFGIB-UHFFFAOYSA-N 365.462 3.647 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 5445264 YJTJRWGYGPOAHZ-IBGZPJMESA-N 362.429 3.517 30 40 FHEB Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1I 7334388 XXEYFUNPYQORJF-UHFFFAOYSA-N 354.191 3.622 30 40 FHEB COc1ccc([C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)cc1 8777084 SREVLTHLNQGCKA-KRWDZBQOSA-N 355.463 3.794 30 40 FHEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cc1)OCO2 408936285 PATPNYAGXMKZGA-FBCYGCLPSA-N 353.256 3.788 30 40 FHEB CC(C)(C)n1nc(C(=O)Nc2ncc3cc(C#N)ccc3n2)cc1C1CC1 533396400 ZJKHKNZFEKLFPV-UHFFFAOYSA-N 360.421 3.583 30 40 FHEB CCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 408709004 NZXSDOOKPDXJCO-UHFFFAOYSA-N 355.276 3.783 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)ccc1O 12032477 OZCJUPPFWITIME-GZTJUZNOSA-N 354.431 3.991 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C(C)=C/c2ccccc2)nc1 6346584 SQWUCDZNFUWTOF-PDHZICCSSA-N 372.494 3.613 30 40 FHEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 23295507 BTBLGZYXLRRRRS-VIFPVBQESA-N 357.266 3.890 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 51366815 ZMXZUQGYBSJGQZ-CSMPYOBQSA-N 371.437 3.688 30 40 FHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3ccc(C)cc3)S2)cc1 5124057 KSRPXQBWLYPLBL-OVBDPADQSA-N 367.474 3.558 30 40 FHEB Cc1ccc(-c2csc3ncnc(SCC(=O)NCCC#N)c23)cc1 7234065 FVJDUMYPVMXNSX-UHFFFAOYSA-N 368.487 3.789 30 40 FHEB C=C(Br)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 7546470 VGLDRFBTKRAKAO-UHFFFAOYSA-N 374.238 3.510 30 40 FHEB O=C(O)c1ccnc([C@@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1 16778481 DNRABLMEJVUCPH-JZRFMTABSA-N 368.462 3.780 30 40 FHEB CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608289 FULOESUDTYECLY-RFAUZJTJSA-N 360.870 3.921 30 40 FHEB COc1ccc(CCC2CCN(C/C(O)=N/c3nnc(C)s3)CC2)cc1 24097213 WEFVPSHMGYSNTG-UHFFFAOYSA-N 374.510 3.788 30 40 FHEB Cc1cc([C@@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)nc(C)n1 41559781 SGAGUKMASHOXFD-MRXNPFEDSA-N 362.458 3.939 30 40 FHEB C=CCNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 47914737 JJTRZUVDLHAOAX-UHFFFAOYSA-N 353.300 3.858 30 40 FHEB CS(=O)(=O)/N=C(\O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 48486789 IGOYHTRNSBMXNF-UHFFFAOYSA-N 361.316 3.776 30 40 FHEB N#Cc1c(N)oc2c(-c3cccc([N+](=O)[O-])c3)c3c(C#N)c(N)oc3cc12 67300098 QRENTIJXANRMOM-UHFFFAOYSA-N 359.301 3.662 30 40 FHEB COc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)ccc1O 83312953 VTLFAVIZOUQNOA-ZDLGFXPLSA-N 368.458 3.778 30 40 FHEB COc1cc(/C=C2/COc3ccc(Br)cc3C2=O)ccc1O 96973226 MNQLTPIUNOJQSF-WDZFZDKYSA-N 361.191 3.822 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccco1 97104980 KUNIDKNJJNODQH-UZLBHIALSA-N 370.401 3.616 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Br)c1 950987 JSDOIEUVUDPTFA-HNNXBMFYSA-N 373.254 3.699 30 40 FHEB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 10672179 BJWZHJDZQAMLIA-UHFFFAOYSA-N 368.502 3.900 30 40 FHEB C#Cc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 64335701 ASLMRHWDKAAFBZ-NSHDSACASA-N 354.460 3.850 30 40 FHEB CCCc1[nH]nc(O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N 4631486 KYSCHESGFLCCBN-CQSZACIVSA-N 359.227 3.626 30 40 FHEB C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 5556929 YNAJZMLCYSHVJK-SNVBAGLBSA-N 370.507 3.683 30 40 FHEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccc([N+](=O)[O-])o2)c1C(N)=O 5537609 OJTMWLLWAXRGNR-KEBDBYFISA-N 369.402 3.998 30 40 FHEB O=C(CO/N=C/c1ccc(OCc2ccccc2)cc1)NCc1ccco1 9451904 BDIIUMGCJNTNHR-YDZHTSKRSA-N 364.401 3.526 30 40 FHEB COc1ccc(CCNC2=CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)cc1 4741314 QLKHQFHZCRMLKV-IBGZPJMESA-N 364.489 3.924 30 40 FHEB CCOC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218372981 AIUKZDUSEVHBEA-HKBOAZHASA-N 369.486 3.790 30 40 FHEB CN(Cc1ccccc1)c1nn(-c2ccccc2C(F)(F)F)nc1C#N 256048550 UILYWJGWHKXWDB-UHFFFAOYSA-N 357.339 3.794 30 40 FHEB CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccncc1 1440466 FKZINRPWLOVHKV-UHFFFAOYSA-N 372.421 3.625 30 40 FHEB CCCCNc1nc(C)c(NC(=O)c2ccccc2)c(COC)c1C#N 15107951 WYYXITFEEXUQFQ-UHFFFAOYSA-N 352.438 3.872 30 40 FHEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 4095209 RKHGFHLAYLUXLD-LJQANCHMSA-N 350.418 3.690 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 101662421 AGQXIEJCYFOSEN-NRFANRHFSA-N 373.497 3.859 30 40 FHEB COc1ccc(CCC(=O)N2CCS/C2=N\Cc2ccccc2)cc1 2665023 YUKGTQAGSWBLFA-MRCUWXFGSA-N 354.475 3.759 30 40 FHEB Cc1c(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c2ccccc2n1C 5360975 PFMLAYHTWXTMMA-SRZZPIQSSA-N 355.405 3.752 30 40 FHEB N/C(S)=N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 6132540 JKIBJPJBJOMNDS-GIJQJNRQSA-N 364.268 3.607 30 40 FHEB CN(CCO)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)cc1 6226780 OZHBMRCMNBTGBJ-HKOYGPOVSA-N 357.457 3.987 30 40 FHEB C=CCn1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 12113483 XATYNUBUOSMBIO-UHFFFAOYSA-N 365.458 3.964 30 40 FHEB CSc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608328 PNUDYMLODGJNLJ-MGPLVRAMSA-N 372.519 3.990 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 36661735 NBXNAINRRKYKBD-CYBMUJFWSA-N 374.535 3.782 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 39556367 XAYKYGNJGMPEFL-CPNJWEJPSA-N 357.413 3.768 30 40 FHEB COCC/N=c1\scc(-c2ccccc2)n1/N=C1\CCc2ccccc21 6579728 XXXWJIVBBHUFJI-UJWUHRTJSA-N 363.486 3.962 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 12401620 JZVNUPHKNLASQE-GRSHGNNSSA-N 368.385 3.642 30 40 FHEB biogenic,in-vitro C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14007046 DQKTUVVBYZNHAX-CYBMUJFWSA-N 358.825 3.662 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 15317448 PMPGODVEKDHJGX-CQSZACIVSA-N 358.825 3.516 30 40 FHEB COc1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2cccnc2)cc1 20060619 NYWOZTURKZMGTC-FYJGNVAPSA-N 367.430 3.642 30 40 FHEB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCCCC#N)c2)c1 23076123 UVQYNQYOUXCRGW-UHFFFAOYSA-N 372.446 3.565 30 40 FHEB CCO/C(O)=C1\C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 102437601 ZDXMNKRPGNDGCI-IMGOXIFKSA-N 355.365 3.597 30 40 FHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 223735389 JXVIVGUNAFNVGD-UHFFFAOYSA-N 363.504 3.794 30 40 FHEB C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 225147885 ZOEIFLIKARBHTH-UHFFFAOYSA-N 373.474 3.549 30 40 FHEB C#CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(Br)c1 226332847 FXZIKQNDUWTKHI-SOFGYWHQSA-N 372.218 3.613 30 40 FHEB CN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N/c1nccs1 256055827 VOPATOKWJWDQJO-CJXQYUSSSA-N 352.444 3.925 30 40 FHEB O=[N+]([O-])c1cccc(CO/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c1 408592130 LDSXBEHTXJKONF-XDHOZWIPSA-N 366.333 3.844 30 40 FHEB CCN(Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1F 48277939 AIWJTLNJTUBJMC-UHFFFAOYSA-N 353.426 3.633 30 40 FHEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 36129960 NVTPYTQEKKSLCL-YBEGLDIGSA-N 369.402 3.754 30 40 FHEB C=CCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2)cc1OC 57746211 GVUWGPUIEQTJEZ-UHFFFAOYSA-N 353.447 3.771 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 10941429 JCQOICPBYJNXFM-UHFFFAOYSA-N 368.824 3.611 30 40 FHEB CCN(CCOc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 76089759 QYBZHEASSIVDSL-JOCHJYFZSA-N 363.505 3.781 30 40 FHEB N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571319 UONGRVDIMIYQAK-ZDUSSCGKSA-N 363.870 3.625 30 40 FHEB COc1cc([C@H](CC(=O)c2ccccc2)C(C#N)C#N)cc(OC)c1OC 4702723 QRJJIWXGOHYPMA-KRWDZBQOSA-N 364.401 3.732 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(C(=O)O)cc1)c1cc3c(cc1N2)OCO3 18199502 VLIWCTLNVCKEDU-LJQANCHMSA-N 363.369 3.678 30 40 FHEB CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 593207428 UWUGZDAGVKPSCK-CYBMUJFWSA-N 360.483 3.915 30 40 FHEB O=C(O)c1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 3150723 JTSYFULOLKUMQS-FRKPEAEDSA-N 365.139 3.512 30 40 FHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 13635094 YISJHWONYYUCGX-IBGZPJMESA-N 361.401 3.760 30 40 FHEB Cc1sc2ncnc(N/N=C/c3ccc(N4CCOCC4)cc3)c2c1C 8124153 FFUZFHXZKIMVCD-SSDVNMTOSA-N 367.478 3.591 30 40 FHEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)C1 13541360 AZCLLDBMUXTTLW-XXEDUFPJSA-N 364.445 3.881 30 40 FHEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(SC)cc2)cc1 4679965 SDCOMVXXKDHLTO-WQRHYEAKSA-N 356.476 3.847 30 40 FHEB C#CCOc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c1 100763628 MILWZOKYKIACDL-SFTDATJTSA-N 365.448 3.852 30 40 FHEB CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 2358429 XSJKQGKTYSCLDB-UAQCVPFCSA-N 367.474 3.939 30 40 FHEB CC(C)(C)N(Cc1ccccc1)C(=O)CO/N=C(\N)c1ccc(Cl)cc1 21585811 SDTKLJHUQQTATI-UHFFFAOYSA-N 373.884 3.804 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 22520961 YQIOYIPSPCELDE-QGZVFWFLSA-N 354.450 3.639 30 40 FHEB CCC[C@H](NC(=O)COc1ccc(C#N)cc1OCC)c1ccccc1 12809001 GCFZTKDWNXYMHA-SFHVURJKSA-N 352.434 3.993 30 40 FHEB N#Cc1ccsc1NC(=O)COc1ccc(F)cc1Br 6587116 OQHNVKVTQXUNFW-UHFFFAOYSA-N 355.188 3.539 30 40 FHEB COc1cccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1OC 7350102 QTRIOKZVZLHFPU-VAWYXSNFSA-N 351.402 3.727 30 40 FHEB N#Cc1cccnc1N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889476 WVLGRXHYHZFEBT-KRWDZBQOSA-N 357.417 3.777 30 40 FHEB COc1cccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)c1 8748884 UCPZNBWNOIJCEK-LJQANCHMSA-N 369.852 3.996 30 40 FHEB C#CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC 408930843 CSZSCJRQVBTZCW-HAVVHWLPSA-N 364.445 3.685 30 40 FHEB O=C(/C=C/[n+]1ccccc1N1CCCC1)c1ccc(Br)cc1 97454949 AAWLIIFYBNJPKN-GXDHUFHOSA-N 358.259 3.690 30 40 FHEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2ccc(O)cc2)cc1 5706446 VYXQVADCBJXOOO-UCQKPKSFSA-N 355.397 3.960 30 40 FHEB N#Cc1c(-c2ccccc2F)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 101351339 MNUQXXTXTCBSGL-UHFFFAOYSA-N 359.360 3.597 30 40 FHEB C=CCn1c(S[C@H](Cc2ccccc2)C(=O)OCC)nnc1C1CC1 77216722 VSYOPBQDUSVGPA-MRXNPFEDSA-N 357.479 3.608 30 40 FHEB Cc1nc(C)c(-c2nnc(SCCOc3ccccc3C#N)o2)s1 58168802 BOQZSXKBRBHFKD-UHFFFAOYSA-N 358.448 3.853 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N2)c2ccccc2C1=O 104869023 SCODTBPEMCTNMH-GOSISDBHSA-N 372.380 3.896 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CN1CC1 118929745 SNHQCEITMYZEQZ-WAUHAFJUSA-N 371.521 3.746 30 40 FHEB Cc1ccc(C)c(NC(=S)N/N=C/c2ccc(N3CCOCC3)s2)c1 3325089 CPPXKISVMFWACQ-XDHOZWIPSA-N 374.535 3.522 30 40 FHEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(F)F)cc1 36611380 VAVZMJBLXHOGOS-GIJQJNRQSA-N 350.350 3.744 30 40 FHEB CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1cccs1 95953482 MPYHDMIZAFRYFE-HNNXBMFYSA-N 373.503 3.960 30 40 FHEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1O 36032844 IGUAOEMDUDOUQH-RQZCQDPDSA-N 358.379 3.755 30 40 FHEB Cn1nccc1C1CCN(C(O)=Nc2nc3c(s2)CCCC3(C)C)CC1 329446321 COXKXVYRFKWEQE-UHFFFAOYSA-N 373.526 3.916 30 40 FHEB N#Cc1ccnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)c1 1775995322 NVEJBSXPSBLBLK-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB COCCN1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 16194401 SIPQXQXMNOSSRL-CJGMICOPSA-N 354.431 3.643 30 40 FHEB Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1Cc1ccco1 3542555 NETKREWOVDYOPT-UHFFFAOYSA-N 362.385 3.658 30 40 FHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 783752 IJNQZAMDGJJWJR-HSZRJFAPSA-N 357.409 3.833 30 40 FHEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1 1354073 RWEHZBQHPFSCEE-UHFFFAOYSA-N 362.364 3.551 30 40 FHEB O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 2068830 NBLIBZRLBTVVMZ-UHFFFAOYSA-N 356.241 3.660 30 40 FHEB CC(C)Oc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3281951 OZURBWFPUPFGCZ-UHFFFAOYSA-N 366.417 3.577 30 40 FHEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(OC)c1 4174118 PAODMDVHBSJHHZ-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 4332818 WVEOZCYNARGWFJ-INIZCTEOSA-N 372.465 3.609 30 40 FHEB C/C(=N\OCC(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 7156465 SMNHHJFLERITAI-CIAFOILYSA-N 352.346 3.541 30 40 FHEB CCc1cc(S[C@@H]2C[C@@H](C)OC2=O)n2c(nc3ccccc32)c1C#N 9115137 ORWAMFQZEGSXRJ-BDJLRTHQSA-N 351.431 3.718 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12627397 XKFJWUKPIRAUHO-FZNBYNMYSA-N 373.456 3.904 30 40 FHEB COc1ccc(/C=N/Nc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1 20677568 JZILCXKMKDTJKC-DJKKODMXSA-N 366.402 3.699 30 40 FHEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 71924216 XFLHQZUCDQDUNH-MDZDMXLPSA-N 353.802 3.747 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2c(C)cc(C)cc21 100910055 QNMUEPCPPKETNT-ZCXUNETKSA-N 371.443 3.664 30 40 FHEB CC1(C)CC(=O)C(I)=C(NCc2ccccc2)C1 100943389 HLPPZKUKAACSCP-UHFFFAOYSA-N 355.219 3.812 30 40 FHEB NC(=O)COc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 408961762 DVIZZSORQGBYRB-UFWORHAWSA-N 367.630 3.717 30 40 FHEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12350667 ALJDGBQIAAKFDF-SLCIEKFFSA-N 354.362 3.940 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 23220067 BKZHKCXQEHTTQR-DYVFJYSZSA-N 355.404 3.580 30 40 FHEB CC1CCN(CN2C(=O)/C(=N/c3ccc(F)cc3)c3ccccc32)CC1 100282198 BPILFSKGZLGKSU-BSYVCWPDSA-N 351.425 3.983 30 40 FHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 5130461 VAFZGOXVSNJVTP-CYBMUJFWSA-N 373.503 3.754 30 40 FHEB CCC/N=C/[C@@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 4646506 HEOBVZWXBWVPFV-VFKKPVCESA-N 354.357 3.658 30 40 FHEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1 19807915 HWPVZTDNLUJHLN-KOEQRZSOSA-N 354.457 3.803 30 40 FHEB Cc1ccc(-n2nc(C)c(/C=N/Nc3nc(C)cc(C)n3)c2Cl)cc1 7779181 ANNLTUGEXGCKAJ-KEBDBYFISA-N 354.845 3.995 30 40 FHEB N#Cc1c(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cn2ccccc12 89878879 SXXOWZRGIYSXRO-UHFFFAOYSA-N 370.195 3.914 30 40 FHEB COc1ccc(Cn2nc(Cc3ccc(Cl)cc3)c(C#N)c2N)cc1 225847796 XBJPDHXSKWKXIC-UHFFFAOYSA-N 352.825 3.638 30 40 FHEB Cc1cc(NC(=O)Nc2cccc(C#N)c2)c(=O)n(Cc2ccccc2)c1 5000851 XXQDFDLUDHOQHC-UHFFFAOYSA-N 358.401 3.721 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1c[nH]c2ccccc12 17296059 DPXZRYKGRAXDGB-UHFFFAOYSA-N 358.401 3.704 30 40 FHEB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119705 XSGHPWWFLHERDM-HOSRBBHYSA-N 364.726 3.527 30 40 FHEB C#Cc1cccc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 58307584 JXOLJXSPLRHERH-KRWDZBQOSA-N 371.481 3.779 30 40 FHEB Oc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c(O)c1 2319179 GUDDEIZKJFYRMF-REZTVBANSA-N 356.234 3.725 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2C)cc1OCC 109028576 MNJIYZRASKSJKH-BKUYFWCQSA-N 356.422 3.782 30 40 FHEB COCc1c(Br)c(C)nc(N/N=C/c2ccccc2)c1C#N 59427854 BPQDQJAYGPTXPA-DJKKODMXSA-N 359.227 3.617 30 40 FHEB CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 4327438 RHWMGAPRTSSTAJ-MRXNPFEDSA-N 366.465 3.721 30 40 FHEB aggregator N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 8746176 BNXCVZQWAFLCJQ-UHFFFAOYSA-N 368.868 3.951 30 40 FHEB Cc1nnc(S)n1/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408861345 CGJWTYUCRDKLSR-FRKPEAEDSA-N 363.786 3.579 30 40 FHEB Cc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608778 ICNFPDFLHHOPLF-QRWLVFNGSA-N 360.417 3.904 30 40 FHEB COc1cccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 408777259 XGZKHDGVPUNUSV-DEDYPNTBSA-N 370.430 3.517 30 40 FHEB Cc1cccc(NC(=O)COc2ccc(/C=N/O)cc2Br)c1 409040013 FCTAIYHJKIRFTK-GIJQJNRQSA-N 363.211 3.583 30 40 FHEB CC1(C)OB(C2=CCN(C(=O)c3cccc4cnccc34)CC2)OC1(C)C 1776000370 XTDNOGKHIOSCPC-UHFFFAOYSA-N 364.254 3.639 30 40 FHEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1C 2526330 QOFOCRYYXCZUDF-UHFFFAOYSA-N 371.050 3.904 30 40 FHEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 9484004 KGHUJANUFCWZNX-JWHLFPLYSA-N 358.777 3.897 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccnc2ccccc12 12324496 PKXIJCASOWPXDV-KRWDZBQOSA-N 361.405 3.840 30 40 FHEB Cc1ccccc1OCc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 730242 KSMOCUQCHGMZJJ-UHFFFAOYSA-N 363.373 3.775 30 40 FHEB Cc1ccc([C@H]2O[C@]34CCCCC[C@@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102715284 PKDKTLASUVQSFI-DGQTTZFYSA-N 360.417 3.894 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC 33623626 WALQRVVKGIDLNX-JAIQZWGSSA-N 362.813 3.737 30 40 FHEB C[C@@H]1CCc2c(F)cccc2[C@@H]1/N=C(/O)c1cnc2c(c1)N=C(O)CO2 329124157 SDRYOIYQMWZTDE-BMLIUANNSA-N 355.369 3.829 30 40 FHEB CCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856985 VSTVAZWVEAWZRS-UHFFFAOYSA-N 371.499 3.812 30 40 FHEB CC(C)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1 201049694 YQHNYCPEFFIMMT-UHFFFAOYSA-N 368.308 3.592 30 40 FHEB CCOc1ccc(C(=O)/N=C2/N=C3C=CC=CN3Cc3ccccc32)cc1 3181124 DNZSBCLWYMKGFQ-DARPEHSRSA-N 357.413 3.970 30 40 FHEB COc1ccc(C)cc1NC(=O)COc1c(Cl)cc(C#N)cc1OC 6126662 BPBRDJIEJGFOSF-UHFFFAOYSA-N 360.797 3.555 30 40 FHEB CCN1C2=C(C(=O)CCC2)C(c2ccc3c(c2)OCO3)C2=C1CCCC2=O 807465 UDLGTQRJKNNPEX-UHFFFAOYSA-N 365.429 3.849 30 40 FHEB Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C\c1ccccc1C(=O)O 4707233 WHIUBOXMPXCXCR-JMIUGGIZSA-N 371.462 3.843 30 40 FHEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(C)c2)nc1C 24969670 ZLOWDTONDYBTTN-UHFFFAOYSA-N 371.491 3.745 30 40 FHEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1O 8811339 SCFWOQHYVPYPAO-QGMBQPNBSA-N 369.646 3.940 30 40 FHEB C=CCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2266072 VYXKHFAMCONHCH-UHFFFAOYSA-N 374.400 3.507 30 40 FHEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(C)nc4c32)cc1 5345395 QUEYDGFCGDVCKR-QGZVFWFLSA-N 374.444 3.909 30 40 FHEB N#Cc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 14419629 AHKZIAGUIXUPRB-UHFFFAOYSA-N 374.440 3.797 30 40 FHEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1ccco1 4620847 WEFLGGCTSIPQQU-XSFVSMFZSA-N 363.425 3.645 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C 5629896 DLIDHNGNCRKUNS-UHFFFAOYSA-N 365.389 3.533 30 40 FHEB CCCCCCCc1nnc(SCC(=O)NC2CCCCC2)n1C 408560434 HZAFSMGIFHTYJO-UHFFFAOYSA-N 352.548 3.869 30 40 FHEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223748649 JNCRENYAXOPHMN-JWGURIENSA-N 359.401 3.551 30 40 FHEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccccc2F)cc1 225860131 GGBMTQMVXSRDGD-UHFFFAOYSA-N 362.408 3.619 30 40 FHEB N#C[C@@]1(F)CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 615609802 XQKGJXVUKGVHQX-IBGZPJMESA-N 366.421 3.679 30 40 FHEB N#Cc1ccc(CN2CCC(COc3cc4c(nn3)CCCC4)CC2)cc1 1565522453 IOFHLRDFDTUBEP-UHFFFAOYSA-N 362.477 3.518 30 40 FHEB O=C(O)c1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1 863841 IBELJAOVPGEQFY-LFVJCYFKSA-N 373.456 3.690 30 40 FHEB N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 5864473 QFOBFTSMZBSUMO-UHFFFAOYSA-N 350.378 3.709 30 40 FHEB CCOc1ccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1 85409053 AYBAGRJMOCPVEU-QGZVFWFLSA-N 374.400 3.508 30 40 FHEB COc1cc(/C=C/C(=O)N2CC[C@H]3CCCC[C@H]3C2)ccc1OCC#N 32986271 JQXRODWDWNUWKW-IIMRFPQDSA-N 354.450 3.649 30 40 FHEB Cc1noc(CSc2ccccc2C(=O)OCc2ccccc2C#N)n1 22524463 LOOKTQLPKKGRES-UHFFFAOYSA-N 365.414 3.899 30 40 FHEB O=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1 673305 KOAZPFLKASKSTJ-UHFFFAOYSA-N 359.289 3.828 30 40 FHEB CCN(CC)C(=O)C[C@@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 1723491 XUDRBKYQPMUNKG-HSZRJFAPSA-N 373.456 3.791 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2 4646565 BJRKVCNTDTWVOA-KGLIPLIRSA-N 358.463 3.884 30 40 FHEB N#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 5602670 ALFKSIGCVTXTNN-UHFFFAOYSA-N 371.643 3.775 30 40 FHEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 6721132 UZNFHBFBVJEGNY-IBGZPJMESA-N 365.481 3.782 30 40 FHEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 8680443 XNNRMSXIGJBYEO-OBGWFSINSA-N 369.487 3.989 30 40 FHEB C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1C1CCCCC1 8707403 VCNJRDKWGJJDNF-INIZCTEOSA-N 374.485 3.970 30 40 FHEB C=CCn1c(=N)n(C[C@H](O)COc2ccc(Cl)c(C)c2)c2ccccc21 19943251 ZIKPVSNOPRUNTD-HNNXBMFYSA-N 371.868 3.510 30 40 FHEB CC(C)Cc1nc(C#N)c(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 27992011 JHTZCLGFZZURGX-GOSISDBHSA-N 355.486 3.526 30 40 FHEB COc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1 36274440 JACZQYQYJWAVTG-FRKCRFBYSA-N 363.461 3.852 30 40 FHEB Ic1ccccc1/C=N\c1ccc2c(c1)OCO2 408552837 WALWPVFZAPNSDZ-PXNMLYILSA-N 351.143 3.771 30 40 FHEB COc1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 409070796 MBPNZJAMZNUPKY-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB Cc1ccc(NC(=O)COc2ccc(/C=N/O)cc2Br)cc1 409223775 HNRQNHAPEALGJO-GIJQJNRQSA-N 363.211 3.583 30 40 FHEB CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 593207436 UWUGZDAGVKPSCK-ZDUSSCGKSA-N 360.483 3.915 30 40 FHEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1cccc(Cl)c1 4719482 VLMBIZDTOPKEGK-UHFFFAOYSA-N 350.603 3.871 30 40 FHEB CN/C(=N/c1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 100567271 QRSWRPSCUKYKAC-HNNXBMFYSA-N 373.865 3.612 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)CN3CCc4ccccc4C3)c2C#N)C1 34858980 RUHMPNYDJGCFLC-CQSZACIVSA-N 365.502 3.741 30 40 FHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 107347767 RFSCISGKYQADMJ-MCIONIFRSA-N 373.334 3.551 30 40 FHEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(Cl)cc1 4828088 AAAFKGHMLYMVJD-GFCCVEGCSA-N 370.792 3.620 30 40 FHEB COc1cc(/C=C/c2nc(C#N)c(NCC(C)C)o2)cc(OC)c1OC 6883678 WKAGACSYJLSOFK-VOTSOKGWSA-N 357.410 3.810 30 40 FHEB CCCCn1nc(C)c(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1Cl 7333721 UAJYTEQPTULHFP-VOTSOKGWSA-N 373.840 3.872 30 40 FHEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(N2CCOC2=O)c1 63556737 ONKVWKDRHDDVRV-MDZDMXLPSA-N 359.385 3.725 30 40 FHEB C=CCOc1ccc(C2N3CC4(C)CN2CC(CCCC)(C3)C4=O)cc1 19320119 BSYBCENTSCZCEU-UHFFFAOYSA-N 354.494 3.647 30 40 FHEB biogenic C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224656946 LOEJGPGSMCHAJF-UHFFFAOYSA-N 361.463 3.784 30 40 FHEB N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3COC[C@H]3C2)cc1F 602872652 DJNTUWRNVZDQLJ-GASCZTMLSA-N 367.380 3.600 30 40 FHEB Cc1ccc(/N=C2/S[C@@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 12136827 HMTMTHUUFQSRFI-QBNCKDSPSA-N 354.431 3.914 30 40 FHEB CC(C)=CCC/C(C)=C\C=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 17284260 XOFCQWUDZDGHDR-HLXKFHDQSA-N 351.428 3.552 30 40 FHEB CCN1C(=O)/C(=C/Nc2ccccc2)S/C1=N\Nc1nc(C)cs1 18252245 BAXTZWDZUGYMHF-MEHLXETNSA-N 359.480 3.683 30 40 FHEB C=CCNC(=O)[C@@H](C)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 23626903 FMYLAJARLNAAAC-CQSZACIVSA-N 356.422 3.599 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2c(C)cccc2C)c1C#N 6968472 TUVWXADSCPMBLF-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB C=CCSc1nc2ccccc2n1CC(=O)NCc1ccccc1F 12520359 GFXHVIQPCBVLEL-UHFFFAOYSA-N 355.438 3.770 30 40 FHEB C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 65453393 IZIVCBUJMBAPTO-CYBMUJFWSA-N 374.487 3.594 30 40 FHEB CC(C)=C[C@@H]1[C@H](/C(O)=N/S(=O)(=O)c2cccc3nsnc23)C1(C)C 71808805 HNLRTLJMQIIPHU-ZWNOBZJWSA-N 365.480 3.575 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889661 CCVXYRKQAOXVQA-UHFFFAOYSA-N 364.854 3.680 30 40 FHEB C[C@H](CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CC(=O)C[C@@H]21)CC(=O)O 253389957 XKXZAYIPFRBKHT-LPBFPZLJSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ccc(C#N)cc1 25276822 IAIZTSPXKDSWPZ-UHFFFAOYSA-N 364.405 3.573 30 40 FHEB CN1CCN(Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 20504095 XGSLBWZXEAULJC-CMDGGOBGSA-N 365.502 3.804 30 40 FHEB CCOc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1 1354861 OMONPLZBCRLONR-UHFFFAOYSA-N 369.490 4.000 30 40 FHEB C#CCn1/c(=N/C(=O)CCCC)sc2cc(Br)ccc21 100875322 ULQNZCWJMMKPSM-ICFOKQHNSA-N 351.269 3.716 30 40 FHEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 103608798 YJPPBWWCQLLDLJ-UWVJOHFNSA-N 369.204 3.828 30 40 FHEB Cc1nc(SCC(=O)N2CCCc3ccccc32)c(C#N)c(C)c1C 5172624 MFZRQKOTBDVCQL-UHFFFAOYSA-N 351.475 3.950 30 40 FHEB N#Cc1c(COC(=O)/C=C/c2ccc(Br)o2)cn2ccccc12 14858023 KZLBGWVLEIAOBH-FNORWQNLSA-N 371.190 3.923 30 40 FHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1C1CC1 16726380 PFQQNWGTJBDJQH-ZDUSSCGKSA-N 370.478 3.663 30 40 FHEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 409235771 BMXIKNKJCFEROK-XDHOZWIPSA-N 369.380 3.911 30 40 FHEB CCC[C@H]1CCNC/C1=N\Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 408723273 PUSRGUYMTHURRT-CYNURGJPSA-N 359.474 3.763 30 40 FHEB CCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC 940348 RRNYMCOLQQYLSR-CIAFOILYSA-N 368.462 3.860 30 40 FHEB O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(Cl)c1Cl 2284421 VWKCWEATUZDERD-LLVKDONJSA-N 352.246 3.850 30 40 FHEB Cc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 16956805 QECNAEXXAMRSPP-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB COc1ccc(N/N=C(/Nc2cc(-c3ccccc3)no2)C(C)=O)cc1 6158618 GGTSAOGIXIRALN-UHFFFAOYSA-N 350.378 3.777 30 40 FHEB COC(=O)[C@H]([C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 4839302 NXFNMFQEHPUXLW-SJORKVTESA-N 358.781 3.772 30 40 FHEB N#Cc1ccccc1NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 32830038 KTXCNDFXCXYABH-UHFFFAOYSA-N 374.410 3.811 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(OC)c1OC 4919587 ZBTFJXJOAWOGKX-KXBFYZLASA-N 370.401 3.616 30 40 FHEB Cc1cc(=O)oc2c(/C=N/Nc3nc4ccccc4s3)c(O)ccc12 5534437 AOKFVHMXLRXMRA-DJKKODMXSA-N 351.387 3.863 30 40 FHEB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 6462867 KXMAQLKCFDBYHO-SNVBAGLBSA-N 356.432 3.789 30 40 FHEB C=CCn1nnnc1NCc1ccc(OCc2ccccc2Cl)cc1 6856415 OCUDUEHLJINYSD-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB COc1cc(/C=N/OCCOc2ccc(C#N)cc2)cc(Cl)c1OC 14359858 YKAFRIGUDLYNBJ-CIAFOILYSA-N 360.797 3.658 30 40 FHEB CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 19972689 KYISKEDLILCIMF-UHFFFAOYSA-N 367.445 3.795 30 40 FHEB CCOc1ccc(C(C)=O)cc1CO/N=C/c1ccc(C(=O)OC)cc1 32957779 SKJSYIPYWJVUFL-CIAFOILYSA-N 355.390 3.625 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 101231691 USSFDQLHRYNQHI-SELCWUDQSA-N 351.377 3.742 30 40 FHEB O=C1Nc2ccccc2C(=O)/C1=C/Nc1ccc(Cc2ccncc2)cc1 207481982 UKXWDHYBOZDTFG-RGEXLXHISA-N 355.397 3.803 30 40 FHEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccccc1 408592535 ZAFKKXHGKQPSAU-UNGJYSPYSA-N 373.456 3.625 30 40 FHEB CCOCCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccccc1 409100053 PKMPJSGVSAHTMU-ZZQWWYRBSA-N 355.463 3.666 30 40 FHEB Cc1sc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1C 8332597 ZSSPJPFFQYEBOK-UHFFFAOYSA-N 372.490 3.935 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 60163543 ZOIWOYNPWIAYAV-UHFFFAOYSA-N 361.420 3.904 30 40 FHEB Oc1cc(O)c(/C=N/Nc2ccc3ccccc3n2)cc1Br 4688457 SFWFIWURWQPPIH-GIJQJNRQSA-N 358.195 3.855 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 6843904 PWWDVVWRWFYOHM-UYAOXDASSA-N 365.385 3.914 30 40 FHEB C[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 4955824 HGWFUJJHSWCXAE-RLZIYIDSSA-N 366.490 3.607 30 40 FHEB CCCCCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C 8435039 JTCOMSSDFMGBCW-UHFFFAOYSA-N 366.531 3.676 30 40 FHEB CCOc1ccc(S(=O)(=O)N/N=C/c2cccc3ccccc23)cc1 3526714 VLTXWWBIGUNRBJ-XSFVSMFZSA-N 354.431 3.551 30 40 FHEB CCCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OCC 208785609 LKLKBYNPNIZTIX-KPKJPENVSA-N 368.227 3.953 30 40 FHEB COc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1Br 226361644 ACADRMRZQZBSOA-UHFFFAOYSA-N 355.191 3.973 30 40 FHEB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 4585743 DHVFOYFUONNOCK-UHFFFAOYSA-N 374.487 3.544 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 677273 PEIBLUCOYUCRAB-LJQANCHMSA-N 355.434 3.615 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1 933891 SRMCSEJJMFIXHH-DYVFJYSZSA-N 369.490 3.902 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8495492 RXYYCHZQWPJCCC-QGZVFWFLSA-N 356.397 3.538 30 40 FHEB COc1ccc(C/N=C/c2cc(Br)ccc2O)c(OC)c1 57411905 KAXZWXFRKJSFOE-VCHYOVAHSA-N 350.212 3.791 30 40 FHEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 9449168 CBHGNMSVLJVWNJ-UHFFFAOYSA-N 371.491 3.627 30 40 FHEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)ccc1O 13730217 VAEBJCXHBDOHKI-QGZVFWFLSA-N 354.406 3.898 30 40 FHEB N#Cc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67013474 OOXJVEKGOZLMLV-KRWDZBQOSA-N 359.788 3.956 30 40 FHEB C=CCN(Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccc(Cl)s1 8163293 SYGNXUYDXKPYOD-UHFFFAOYSA-N 359.882 3.906 30 40 FHEB CCCOc1ccc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)cc1OC 97014525 JWOMFJGWNKBIKI-PKNBQFBNSA-N 363.417 3.961 30 40 FHEB Fc1ccc(Cn2cc(/C=N/n3cnnc3S)c3ccccc32)cc1 408811177 KNLXDZGRYTZOGE-ZVBGSRNCSA-N 351.410 3.591 30 40 FHEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=S 408959887 HLCYQUUZXJMQJA-LGMDPLHJSA-N 369.515 3.931 30 40 FHEB Cc1ccc(S(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565684023 FFOXKRJYXRYKQE-UHFFFAOYSA-N 368.270 3.923 30 40 FHEB O=C1CCCC(=O)C1=C1N(Cc2ccccc2)CCN1Cc1ccccc1 13637224 SALYBLZPYZHDPB-UHFFFAOYSA-N 360.457 3.538 30 40 FHEB Cc1ccc(-c2ccc(/C=N\n3cnc4ccccc4c3=O)o2)c([N+](=O)[O-])c1 8371262 RAEJXVGBQWAWLM-JJFYIABZSA-N 374.356 3.755 30 40 FHEB COc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(O)c3)C(=O)N2C)cc1 100260711 MCHXVZRANJJQQQ-GDOHLEIWSA-N 370.430 3.643 30 40 FHEB C/C(=N/C(=N)Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)O 101432883 MYOCWKJGARYFFI-UUYOSTAYSA-N 361.405 3.801 30 40 FHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccc2OC)C1=O 1165772 OJDVGSKEWBTKAD-FOWTUZBSSA-N 367.426 3.849 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5884873 CZQWEUMOSBFRBV-QGZVFWFLSA-N 371.820 3.565 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 19990464 XTFOJEIEYGQEGL-MRXNPFEDSA-N 365.351 3.846 30 40 FHEB Cc1ccccc1S(=O)(=O)/N=C(\O)COCc1ccccc1Cl 48426617 ZWMXLYLRUQUIOE-UHFFFAOYSA-N 353.827 3.510 30 40 FHEB C/N=C1/S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)N1C 59104383 MHCCLCIQZVIQCP-RQYGOXCDSA-N 357.391 3.695 30 40 FHEB C(=N\N=C(N/N=C\c1ccccc1)N/N=C\c1ccccc1)\c1ccccc1 104128826 SSXKGMZGFGMDHX-QCYKYHKNSA-N 368.444 3.624 30 40 FHEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224743913 MEOFVFXIHUKWLQ-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2\[C@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)cc1 104310501 KMLJCDIFQNRJOC-BKXYXSTESA-N 354.475 3.843 30 40 FHEB COc1cccc(N(CCC#N)C(=O)/C=C/c2cccc(OC)c2OC)c1 3356555 BUTUEGBZTTYCFI-VAWYXSNFSA-N 366.417 3.672 30 40 FHEB CCN1C=C(C(=O)/C=C/c2ccccc2)[C@H](c2ccc(OC)cc2)NC1=O 12321196 AADJGNWQRMEIBQ-PBAKHKOTSA-N 362.429 3.948 30 40 FHEB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccccc2C#N)C1=O 3550832 VFKJFDSWDONBES-QFIPXVFZSA-N 355.397 3.679 30 40 FHEB N#Cc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 96019411 HOPVLSVBCPWNNB-OVCLIPMQSA-N 353.175 3.665 30 40 FHEB C=CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1nnc(CC)s1 5178486 ITESGHRJDJVMDV-NLINBEMNSA-N 362.505 3.952 30 40 FHEB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 14159409 ASZXKSBXVZKVAS-IBGZPJMESA-N 350.418 3.699 30 40 FHEB COC(=O)C1=C(Nc2ccccc2F)S/C(=C\c2cccc(O)c2)C1=O 4696127 IZRZOFAHFMDUMO-GDNBJRDFSA-N 371.389 3.685 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5787739 UFXGNGNGUXJBPY-INIZCTEOSA-N 371.780 3.759 30 40 FHEB N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)[nH]1 89826341 LPLVBIWBIOJWMK-GOSISDBHSA-N 354.413 3.930 30 40 FHEB CCN(CCOc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 76089755 QYBZHEASSIVDSL-QFIPXVFZSA-N 363.505 3.781 30 40 FHEB C=CCn1c(S[C@H](C)c2nc(C)no2)nc2sc(C)c(C)c2c1=O 36392759 YMHAEDDGJBFBNX-SNVBAGLBSA-N 362.480 3.806 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccco1 97104978 KUNIDKNJJNODQH-JXFKEZNVSA-N 370.401 3.616 30 40 FHEB Cc1ccc(/N=C2\S/C(=C\c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 2140067 TZGWKTSSVXOLLE-CMLHKUKGSA-N 352.415 3.927 30 40 FHEB O=C1CN2C(=C1c1ccccc1)NC(=O)c1c(-c3ccsc3)csc12 12583758 ZLXDOODWZRMOEA-UHFFFAOYSA-N 364.451 3.978 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1C 17242367 HOCMQSVJICGHOZ-MRXNPFEDSA-N 353.447 3.551 30 40 FHEB C=CCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1cccs1 1366372 QDAFHSRKAPLKQG-CQSZACIVSA-N 374.428 3.815 30 40 FHEB CCN(CC)c1ccc(/C=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 949464 BTNGMQNFVYYQOA-CPNJWEJPSA-N 350.871 3.994 30 40 FHEB Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2N2CCCC2)cc1 12565411 NIJBQGZLZZAXKB-INIZCTEOSA-N 366.494 3.712 30 40 FHEB N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 24668216 FQQQUIKXVWDUPI-QGZVFWFLSA-N 374.444 3.908 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccccc3)c2C#N)C1 6764132 DQNJJOGOUGTXPX-GFCCVEGCSA-N 369.515 3.800 30 40 FHEB CCCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 12792482 KORKHTHDGNDGKI-VGOFMYFVSA-N 367.445 3.839 30 40 FHEB Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I 6278496 ZDGZLOTZXPXFQZ-UHFFFAOYSA-N 362.170 3.724 30 40 FHEB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 14138814 LXCWTVDMXFLBJA-LBPRGKRZSA-N 374.441 3.699 30 40 FHEB CC[C@@H](/C(O)=N/S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1 84734260 VPXLKJVRMRKVGF-MRXNPFEDSA-N 371.418 3.576 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 4936517 HJJCDQIMBVVHFN-UHFFFAOYSA-N 357.266 3.810 30 40 FHEB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 5979061 QGTXGMKQUKIDAU-JOCHJYFZSA-N 361.445 3.823 30 40 FHEB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 7122387 MQPBGYRUWWZZGO-CQSZACIVSA-N 364.401 3.725 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1c(O)n[nH]c1N2 18195481 UZPSOJTUMLRZET-LBPRGKRZSA-N 350.205 3.987 30 40 FHEB N#Cc1cccc(SCC(=O)NCCc2ccc(OC(F)F)cc2)c1 75107692 RDTQNWPYSFRMRI-UHFFFAOYSA-N 362.401 3.611 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)COC)cc1 218410024 ZXLUHYLSZXMKSA-QHAWAJNXSA-N 369.486 3.654 30 40 FHEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cccs1 85558691 XSOUWULSVCDKEA-UHFFFAOYSA-N 354.353 3.971 30 40 FHEB Oc1ccc(Br)cc1/C=N\N=C(/S)Nc1ccccc1 5237150 VIJHSSPHLZACQD-SXGWCWSVSA-N 350.241 3.887 30 40 FHEB CC(C)(O)/C(CCc1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4416139 XZBFXVXZCHTGIY-LVZFUZTISA-N 372.381 3.675 30 40 FHEB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1Cl 8218546 MNSFQXRZWKZAKF-AWEZNQCLSA-N 353.809 3.512 30 40 FHEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OC(F)F)cc1 36611411 XONDFVPMOGLSIF-FBCYGCLPSA-N 366.315 3.893 30 40 FHEB Cc1cc(C)c(C#N)c(N2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)n1 100641534 PYTNRBTXYHLVRQ-QZTJIDSGSA-N 351.425 3.728 30 40 FHEB N#Cc1ccc([C@@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225380699 IBFIAICAUIGIOG-INIZCTEOSA-N 356.381 3.838 30 40 FHEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)COC)cc1 225656227 ZXLUHYLSZXMKSA-HBMCJLEFSA-N 369.486 3.654 30 40 FHEB C=CCN1C(=O)S/C(=C\c2ccccc2I)C1=O 408553375 YESDCUDKBPDQRA-FLIBITNWSA-N 371.199 3.514 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2\C=C[C@](C)(c3ccccc3)CC2)cc1 4273488 AFVJLMHQMTUVEK-ASBZNUFUSA-N 354.475 3.937 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 4526104 BFVCPWDUNWCJLQ-XDHOZWIPSA-N 374.421 3.807 30 40 FHEB Cn1c(CO)nc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc21 4551188 OKHBGVIRDGWRGG-FBCYGCLPSA-N 350.205 3.829 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 5629837 RRBAJUFWHDXECY-UHFFFAOYSA-N 351.189 3.891 30 40 FHEB N#C[C@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)o1 6845537 UBDDFUAHOHBTAY-WMLDXEAASA-N 365.414 3.809 30 40 FHEB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 8757202 ANCRATXTGPRLSO-JTQLQIEISA-N 355.448 3.524 30 40 FHEB O=C(CN1CCCC1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 19376252 KNWJTCHQPDGFDE-UHFFFAOYSA-N 361.489 3.501 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102800923 YSFUZBLCESUGLH-WOOAAIBNSA-N 356.381 3.708 30 40 FHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 224908211 DERXJEPESMIYOA-UHFFFAOYSA-N 370.243 3.970 30 40 FHEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccs1 225143160 OGHMRFBTMDDELZ-UHFFFAOYSA-N 373.883 3.800 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NOCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 299888724 VDYLVWGBLQNNAW-ZKHIMWLXSA-N 361.482 3.767 30 40 FHEB COc1cccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)c1 408732640 SYEAMHHKONBVNC-HZHRSRAPSA-N 370.412 3.675 30 40 FHEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1ccco1 802239 KAMUPKXDBRNVJB-YBFXNURJSA-N 351.318 3.896 30 40 FHEB C/C(=N\OCC(=O)Nc1ccccc1Br)c1cccs1 4863450 BQMDLLMGNYRMFD-LICLKQGHSA-N 353.241 3.890 30 40 FHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 5429893 NDFIDJFNGKDWPE-KBXCAEBGSA-N 350.418 3.528 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 5444140 SVDAFCHMCQFMAW-SFHVURJKSA-N 351.402 3.627 30 40 FHEB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1 8075881 VPXYPLWYFUDEPP-HXUWFJFHSA-N 370.474 3.873 30 40 FHEB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c(C)c1 12469609 IYXHRNXMLSJXPG-QBEKEKFNSA-N 367.474 3.894 30 40 FHEB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 22185574 ITANECAGCUUNFJ-KRWDZBQOSA-N 369.387 3.715 30 40 FHEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCCOc1ccccc1 46084934 RGJQODIPDWFYCX-HKWRFOASSA-N 365.216 3.987 30 40 FHEB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 66336785 DDMITVAQPIYTRU-GJZGRUSLSA-N 370.453 3.595 30 40 FHEB C#CCN(Cc1ccc(C)cc1)C(=O)NC[C@H](c1ccsc1)N(C)C 68364017 KISWEHNFPQIRMX-LJQANCHMSA-N 355.507 3.504 30 40 FHEB Cn1cc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 69166179 XTOLEDCEVGBJFX-HUUCEWRRSA-N 354.479 3.754 30 40 FHEB C=C1CN(C(C)=O)C[C@@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95708070 CFZPILZXWJKGJJ-QMMMGPOBSA-N 357.216 3.879 30 40 FHEB O=[N+]([O-])c1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408588538 BTEZEQPBPVZKCY-XDHOZWIPSA-N 366.333 3.844 30 40 FHEB CCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409185370 XZWMDMHXRKUVEY-LPYMAVHISA-N 369.417 3.944 30 40 FHEB CC(C)(C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409404287 KHWQGOQLESEAQH-MGBSGCIJSA-N 372.852 3.658 30 40 FHEB C=CCN(Cc1cc(C2CC2)no1)S(=O)(=O)c1cccc(Cl)c1 663929919 AROHFMPCXCNQNN-UHFFFAOYSA-N 352.843 3.582 30 40 FHEB CN(CCC#N)c1ccc(/C=C/C(=O)c2ccc([S@](C)=O)cc2)cc1 1554502494 FETADMAQFKSCAQ-CCCDLHSFSA-N 352.459 3.670 30 40 FHEB CC1(C)C(=O)/C(=N\O)C[C@@]2(C)C1=CC[C@H]1[C@@H]3C/C(=N\O)C(=O)[C@@]3(C)CC[C@@H]12 4900117 BUFWXPAPYJPVKI-LGWDXXPMSA-N 372.465 3.604 30 40 FHEB Cc1ccc(CN(C)C(=O)NCCSCc2ccccc2C#N)cc1 45572726 MUUOJKGOTMQOFB-UHFFFAOYSA-N 353.491 3.942 30 40 FHEB N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 9426649 BMQABLFWDNXBNC-UHFFFAOYSA-N 367.836 3.703 30 40 FHEB COc1ccc(/C=C/c2nc(C(=O)O)ccc2C#N)cc1Br 75474336 AEDRYUUCYQSBFO-GORDUTHDSA-N 359.179 3.593 30 40 FHEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)n1-c1ccccc1 408592533 ZAFKKXHGKQPSAU-KBVSXGOTSA-N 373.456 3.625 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C2/CCSc3c(F)cccc32)c([N+](=O)[O-])c1 101708503 SMVXNYAVWCOHGM-ATVHPVEESA-N 362.342 3.954 30 40 FHEB Cc1nc(SCC(=O)N[C@H]2CCOc3ccccc32)c(C#N)c(C)c1C 12783517 ANPIGZNZCFOZHU-KRWDZBQOSA-N 367.474 3.611 30 40 FHEB Cn1c(SCC(=O)NC2(C#N)CCCCC2)nc2cc(Cl)ccc21 48346206 FDIYAMJKPLBAGZ-UHFFFAOYSA-N 362.886 3.661 30 40 FHEB N#Cc1ccccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 409206124 MKJHBHGBFGNYOU-XDHOZWIPSA-N 369.380 3.911 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(N(C)C)cc1 16742397 VTLYISGSEXWZQZ-QGZVFWFLSA-N 368.458 3.578 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(Nc2ncnc3sccc23)C1=O 98050260 FKZLVSNJNCMOEZ-QGZVFWFLSA-N 361.471 3.689 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C#N)C#N)cc1 218348536 BIBCGVOYESDXBK-RTBURBONSA-N 350.443 3.531 30 40 FHEB CCOC(=O)Cn1c(C)c(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 408813841 DSZOIUDRKVSWSQ-UHFFFAOYSA-N 373.408 3.975 30 40 FHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccco1 1531111969 ZJAXVUIYDNMXAX-GRSHGNNSSA-N 374.238 3.932 30 40 FHEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 4281001 FFIUNOOIWIUOLO-UHFFFAOYSA-N 373.409 3.526 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 101662440 YHMUYNMMXOOEFN-NRFANRHFSA-N 373.497 3.913 30 40 FHEB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 6507667 BIRDPSBADHBSET-UHFFFAOYSA-N 362.414 3.892 30 40 FHEB C=CCNC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCCC2 27021222 RMUKCMWIRHPIOQ-UHFFFAOYSA-N 370.474 3.804 30 40 FHEB COc1ccc(-c2nc(NCc3ccc(C)c(F)c3)nc(O)c2C#N)cc1 40130025 BMOJTRPKLHONLV-UHFFFAOYSA-N 364.380 3.789 30 40 FHEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 59337608 IWBHAEVKOMRTRB-QGZVFWFLSA-N 355.401 3.856 30 40 FHEB COc1cc2c(cc1OC)-c1cc(-c3ccccc3)c(C#N)c(=N)n1CC2 101380062 HCIGEPNEZJDTEC-UHFFFAOYSA-N 357.413 3.747 30 40 FHEB biogenic C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(C)cc1 224696537 ICTQLFWJTYVOBG-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB C=CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 408563833 RJDSQTRNNOZFFS-NTUHNPAUSA-N 369.417 3.929 30 40 FHEB COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1[N+](=O)[O-] 408860950 JGDJXOVAJSQQKQ-DHDCSXOGSA-N 373.365 3.634 30 40 FHEB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C#N)cc2Cl)nn1 1776009559 ITGWLHUPBDNYSL-YIONKMFJSA-N 370.888 3.868 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc(C)c(C)c2C#N)n1 888429 YCDZHPCVBQRQGB-UHFFFAOYSA-N 356.476 3.851 30 40 FHEB Cc1nn(CCSc2cc(Cl)ccc2Cl)c(=O)c(C#N)c1C 7062710 CGGOVRNKVBQMJS-UHFFFAOYSA-N 354.262 3.831 30 40 FHEB COc1ccc(N2CCN(c3oc(-c4ccccc4)nc3C#N)CC2)cc1 27019040 OVHNKCZUQJXDNE-UHFFFAOYSA-N 360.417 3.548 30 40 FHEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 33325167 JFLYRDMYZJRILJ-UHFFFAOYSA-N 369.808 3.738 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccccc2I)c1 2820914 FXDSSIYMPPYEIF-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)CCCC(=O)N3)c(Cl)c1 32329309 SETCEHANSWTWSE-UHFFFAOYSA-N 354.793 3.748 30 40 FHEB COCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\c1ccccc1 2142054 JKYOUSSWSZGYNG-PTPABZONSA-N 368.458 3.946 30 40 FHEB COc1ccc2c(C)cc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1 2644562 DIMIETLBCOOBFH-IBGZPJMESA-N 357.479 3.698 30 40 FHEB N#Cc1c(NC(=O)COc2ccc3c(c2)OCO3)sc2c1CCCCC2 8313526 GXUJNSVPAPURIN-UHFFFAOYSA-N 370.430 3.635 30 40 FHEB N#CC1(NC(=O)CNc2ccccc2SCC(F)(F)F)CCCC1 40050863 AOHUMVKMYQIKNX-UHFFFAOYSA-N 357.401 3.705 30 40 FHEB Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1C 215706687 HSLFVIHMVIFIRX-UHFFFAOYSA-N 366.368 3.715 30 40 FHEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1COc1ccccc1 223681240 AINQTISLBMZCLJ-UHFFFAOYSA-N 366.421 3.941 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1C 223754084 DLFKVUAZIDXONE-PYCFMQQDSA-N 355.438 3.721 30 40 FHEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc3ccccc23)C1=O 408537351 VKGHBGJYDOHJDV-QGZVFWFLSA-N 371.396 3.750 30 40 FHEB N#Cc1ccc(-c2ccccc2Cl)n(Cc2ccc([N+](=O)[O-])cc2)c1=O 3051156 JVDYGOFJUKUMNE-UHFFFAOYSA-N 365.776 3.997 30 40 FHEB N#Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl 12754552 VVPIKFQISGAFQX-UHFFFAOYSA-N 353.809 3.520 30 40 FHEB Cc1ccc2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2c1 13007427 VEZXXKXHLDQWEU-UHFFFAOYSA-N 367.478 3.903 30 40 FHEB N#CC1(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)CCCC1 6112207 OUZHALARSSYQQM-UHFFFAOYSA-N 372.519 3.615 30 40 FHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 9486459 PCRZFCLVBSNMEL-KVMVOAJRSA-N 352.386 3.942 30 40 FHEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1nnc2ccccc21 28464794 NEVWXBKMMZXYTF-UHFFFAOYSA-N 352.401 3.964 30 40 FHEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20672627 HNSYPUYMANZNGS-HXUWFJFHSA-N 363.417 3.931 30 40 FHEB O=[N+]([O-])c1ccc(Sc2ncccn2)c(/C=N\c2ccc(O)cc2)c1 409115747 GZPVTVBDIDJEEF-JAIQZWGSSA-N 352.375 3.992 30 40 FHEB COc1cc(/C=N/NC(N)=S)ccc1OCc1cccc2ccccc12 4503892 CDXNIACEGIJFKF-WSDLNYQXSA-N 365.458 3.595 30 40 FHEB C#Cc1cccc(N(CC)S(=O)(=O)c2ccccc2Br)c1 103060938 OQPZUYHNIFEJIT-UHFFFAOYSA-N 364.264 3.646 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@@]132 106899628 AWARIKSVYAKVLG-GQQFPJJJSA-N 361.526 3.634 30 40 FHEB biogenic N#CCc1c(C#N)c(N)nc(Nc2ccc(SC(F)F)cc2)c1C#N 25540494 QKOXQGWDEGCSFT-UHFFFAOYSA-N 356.361 3.532 30 40 FHEB Cn1cccc1/C=C1\S/C(=N/c2ccc(Br)cc2)NC1=O 5218928 OHLDJNKEDJUXHP-LCYFTJDESA-N 362.252 3.679 30 40 FHEB CCCOc1ccc(-c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 5738492 BCELJLQUDGWTPD-UHFFFAOYSA-N 351.410 3.701 30 40 FHEB Cc1ccc(CN2CCN(/N=C/c3ccc(N(C)C)cc3)CC2)c(C)c1 19791085 ZTVGLYQXLJPIDF-XQNSMLJCSA-N 350.510 3.521 30 40 FHEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCC(N)=O 9422493 VLXIHRPWMSAECD-UHFFFAOYSA-N 357.382 3.668 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2I)cc1 33957638 YGEHQKGNPNNLOS-OQLLNIDSSA-N 367.146 3.645 30 40 FHEB N#Cc1cccnc1N1CCC(CNC(=O)Nc2ccccc2Cl)CC1 70929512 PCAPAFULVVZSHT-UHFFFAOYSA-N 369.856 3.645 30 40 FHEB N#Cc1c(COC(=O)c2cc(N)cc(C(F)(F)F)c2)cn2ccccc12 64726759 ZYHSZRKRAHHDPP-UHFFFAOYSA-N 359.307 3.769 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@H]1CC2=C(CC(C)(C)CC2=O)NC1=O 1740818200 KAPFINDBTMILJU-GFCCVEGCSA-N 374.868 3.756 30 40 FHEB COc1cc(OC)c(OC)cc1C[C@H](C#N)c1ccc(OC)c(OC)c1 5514400 MQBPEEAGTRSGIW-OAHLLOKOSA-N 357.406 3.579 30 40 FHEB O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 2322518 PAOBMYBBFSRMFV-ZPOBTFBFSA-N 361.829 3.945 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl 32832137 UWTAFYJQTNKADF-SJKOYZFVSA-N 356.297 3.868 30 40 FHEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)ccc1OC 103504719 POPCJYQDDQCTCS-CQSZACIVSA-N 372.808 3.708 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 47642558 SDCCTDRINQFXQD-AUUYWEPGSA-N 368.481 3.721 30 40 FHEB C[C@@]12OC(=N)[C@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 100721333 MYHXPTPDSAEKDZ-JEEBJRHZSA-N 368.396 3.809 30 40 FHEB O=C1c2ccccc2C(=O)N1CNc1ccccc1/C(=N\O)c1ccccc1 104160955 OJICHDFGRVKWMT-GFMRDNFCSA-N 371.396 3.579 30 40 FHEB Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3c(F)cccc3Cl)cn2)n1 58370837 PFKXXGIURSODOF-UHFFFAOYSA-N 373.819 3.514 30 40 FHEB N#Cc1cccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)c1 10680693 JSGHSBVWWXKSCI-UHFFFAOYSA-N 354.475 3.592 30 40 FHEB CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(Cl)cc1Cl)C2=O 3580900 LZEXNEOCOBNFNR-DJKKODMXSA-N 354.237 3.828 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 6002256 TWPVEUOFWSDPLU-ZDUSSCGKSA-N 359.476 3.508 30 40 FHEB COc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)c(OC)c1OC 5020133 ATCIFHCRWPWMQF-DJKKODMXSA-N 364.785 3.510 30 40 FHEB CN(C)c1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409105401 JARHRLSDJQIADH-MFOYZWKCSA-N 364.199 3.880 30 40 FHEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 409145855 QIDGESSOIPMXSX-IGGCCQSFSA-N 364.376 3.617 30 40 FHEB COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)[nH]c2c1 4252406 AFQNSTQATXAFJY-NSHDSACASA-N 352.419 3.562 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C#N)C1 4088489 PMVPMAWTSPHZIM-BDJLRTHQSA-N 354.431 3.523 30 40 FHEB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 4069849 ASPMKDLPQANREX-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F 30371234 NELNZKVEGBNZGB-HNNXBMFYSA-N 366.389 3.589 30 40 FHEB N#Cc1ccc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)cc1 21660735 JIQNPNMMSUMGDC-UHFFFAOYSA-N 355.319 3.849 30 40 FHEB N#CC1=NN(c2ccc(OCc3ccccc3)cc2)[C@H]2CCCCCN2C1=O 33436177 AGKLEMRDUDUPGJ-NRFANRHFSA-N 374.444 3.694 30 40 FHEB N#Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 3299289 ZYMDXPLFADUSAV-UHFFFAOYSA-N 350.359 3.842 30 40 FHEB COc1ccc(/C=N/Nc2cc(C)c3ccccc3n2)c(C(=O)O)c1OC 5516664 PPJYRQRJJNHKPG-SRZZPIQSSA-N 365.389 3.705 30 40 FHEB CCCOc1ccc(C/N=C(/S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 8673134 BMOJSMHJGXWXEU-DEDYPNTBSA-N 372.450 3.793 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1 13570295 GGOVDAMAXPTSJO-GOSISDBHSA-N 369.417 3.511 30 40 FHEB C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13945780 LOLZSZRMDRRZPY-JOCHJYFZSA-N 373.456 3.714 30 40 FHEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2ccsc2c1=O 13985685 GTXPTPVAKATUJM-UHFFFAOYSA-N 360.435 3.758 30 40 FHEB N#Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 15512100 SAAHONTVTLCYKF-UHFFFAOYSA-N 372.428 3.637 30 40 FHEB Cc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608792 XRODBECITGZSKO-BUXKBTBVSA-N 364.380 3.734 30 40 FHEB Cc1c(C#N)c(S[C@@H](C)C(=O)NCc2cccs2)nc2c1CCC2 32776202 UFOZSCGPYCTYOI-LBPRGKRZSA-N 357.504 3.609 30 40 FHEB COc1cc(OC)c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1Cl 32831810 ZYWOTUOTFIPYJK-AATRIKPKSA-N 373.840 3.644 30 40 FHEB C=CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)n2)c(OC)c1 58157462 CSHGZFJKQJACIM-UHFFFAOYSA-N 366.339 3.855 30 40 FHEB O=C(NCC#CCN1CCc2ccccc2C1)c1cccc2ccccc12 70641608 LBDXLVWPPUIHNZ-UHFFFAOYSA-N 354.453 3.631 30 40 FHEB Cn1c(=O)n(C)c2cc(/C=C3/SC(O)=N/C3=N\c3ccccc3)ccc21 95479847 ZFRHLEJJUZPHHC-LFIBNONCSA-N 364.430 3.609 30 40 FHEB CCCCCCCCn1cnc2c3c(sc2c1=O)SCC(=O)N3 101411685 VEOBGJJAYNVUAY-UHFFFAOYSA-N 351.497 3.863 30 40 FHEB CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103542849 YFKRSKWHZRXBQJ-UHFFFAOYSA-N 374.121 3.991 30 40 FHEB O=C(OCCC(F)(F)C(F)(F)Br)OCC(F)(F)F 169795811 OIMNDVLMNQJFPP-UHFFFAOYSA-N 351.012 3.715 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1c[nH]c2ccccc12 408788484 DHRJGFHAOXNFAR-IBGZPJMESA-N 370.408 3.909 30 40 FHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)C)cc2)cc1 5809168 QFMUTYKVCBHCQA-DEDYPNTBSA-N 367.478 3.955 30 40 FHEB C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@@H]4[C@@H]21)c1ccccc1 105381797 UARIRGJWHKWMHN-ZFKWIFDZSA-N 369.505 3.863 30 40 FHEB biogenic Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C#N)c(C)c1C 5089249 KGCIZGKJDSZRNS-CYBMUJFWSA-N 369.446 3.727 30 40 FHEB Cc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)c1 6651046 HRJNFEJQABSFDZ-UHFFFAOYSA-N 373.507 3.635 30 40 FHEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 408537568 WIBNUBFTICMQAW-HNNXBMFYSA-N 369.808 3.558 30 40 FHEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)S1 408721675 WXPYJVQNAPVSEM-ZROIWOOFSA-N 355.375 3.500 30 40 FHEB C=CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 73640240 AQXBZDFYFCHTNU-UHFFFAOYSA-N 352.140 3.960 30 40 FHEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 225813891 YRJAQYZDWXBORS-UHFFFAOYSA-N 366.446 3.788 30 40 FHEB C[C@@H]1CN(/C(O)=N/C[C@@H]2CCOc3ccccc32)Cc2ccccc2O1 330190211 MJBFYSJSWHNXSF-CVEARBPZSA-N 352.434 3.750 30 40 FHEB C=CCc1cccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c1O 245241431 DLSLPFJDNWPCJO-UHFFFAOYSA-N 350.447 3.859 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 15609521 UMOYCJQDQIANIX-CYBMUJFWSA-N 358.825 3.662 30 40 FHEB CN(CCO)c1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 5636983 KYXRTUJNMWGFBD-LSFURLLWSA-N 372.778 3.628 30 40 FHEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C#N)c1C 10253706 DPBCTSXMKLKRGD-UHFFFAOYSA-N 362.476 3.671 30 40 FHEB CCOc1cccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1 15108104 HHWKZSVXBWNDBY-CMDGGOBGSA-N 356.374 3.727 30 40 FHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(F)cc1 22608135 MCBZHYOYHUADHG-RMLUDKJBSA-N 366.318 3.704 30 40 FHEB COc1cc(OC)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c(OC)c1 6621596 SBDZOKAPOJKBIF-ZVBGSRNCSA-N 355.316 3.572 30 40 FHEB O=C(/C(=N\Nc1cnnc(O)c1Cl)c1ccccc1)c1ccccc1 104391853 QFAOICFSALFBQW-JWGURIENSA-N 352.781 3.535 30 40 FHEB COc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)c(OC)c1 7939523 CPYNVUJDCUEJNZ-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB Cc1cc(/C=N/NC(=S)NCCc2ccccc2)c(C)n1CC(C)C 6608176 KLFLCSFQMGUJPG-LPYMAVHISA-N 356.539 3.802 30 40 FHEB C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1C1CCCCC1 8983222 SYLGAWIHVUVSTL-MRXNPFEDSA-N 356.495 3.831 30 40 FHEB N#CCCN(C(=O)COC(=O)c1ccc(Cl)s1)c1ccccc1F 36822394 RFAKACJQASZBPJ-UHFFFAOYSA-N 366.801 3.644 30 40 FHEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894014 CUDVFOZYTTZPHC-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224775276 RVBJYGBRXHFRNG-UHFFFAOYSA-N 360.435 3.901 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 13684296 YOAKGHCHNWCJBE-UHFFFAOYSA-N 358.825 3.582 30 40 FHEB C[C@@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 13573912 BYMYNKFCGAEODE-LLVKDONJSA-N 353.403 3.950 30 40 FHEB C=C(C)Cn1c(SC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 2371981 SNZAHIWUMIKSAP-QGZVFWFLSA-N 350.509 3.997 30 40 FHEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 102401968 UOGIPNRVRXMOEG-YWXUCKCNSA-N 350.418 3.690 30 40 FHEB N#Cc1c(NC(=O)Cn2c(=O)sc3ccccc32)sc2c1CCCC2 983925 HARJNGFVFYAQOE-UHFFFAOYSA-N 369.471 3.514 30 40 FHEB O=C(O)/C(=N\Nc1ccc(Cl)cc1Cl)c1ccccc1C(=O)O 29763993 IKVUVRQKXWJLDZ-UYRXBGFRSA-N 353.161 3.592 30 40 FHEB CCOC(=O)CC(=O)CSc1nc(C)cc(-c2ccsc2)c1C#N 2272857 MSOFNXTXZYXSEZ-UHFFFAOYSA-N 360.460 3.605 30 40 FHEB O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 13553103 PAOBMYBBFSRMFV-PGJJUSORSA-N 361.829 3.945 30 40 FHEB Cc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)s1 14020949 JTDUSTYJFHFUED-LBPRGKRZSA-N 354.460 3.938 30 40 FHEB N#Cc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 14197019 RTWPNRBWHXVGFH-QHCPKHFHSA-N 367.452 3.637 30 40 FHEB COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)o2)c1 5435488 ULVVKLISJFIALK-UHFFFAOYSA-N 353.403 3.918 30 40 FHEB C=CCSc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 6746684 JSCXEJZEHYAUQZ-UHFFFAOYSA-N 361.448 3.752 30 40 FHEB CCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608346 ATORFYNNJGJSNH-GTNSWQLSSA-N 370.478 3.667 30 40 FHEB N#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408972849 WEYWNASPCIRKCA-VBKFSLOCSA-N 371.318 3.937 30 40 FHEB CCOC(=O)c1cc(C#N)c(SCCOc2cccc(C)c2)nc1C 32672350 GVQVIOAGKDNZNK-UHFFFAOYSA-N 356.447 3.918 30 40 FHEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005159 DBVRGKKXJFWBQM-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223342219 NMJATSKSYOIODK-OAQYLSRUSA-N 350.462 3.859 30 40 FHEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccccc1Br)C[C@]32C 245241402 CVHMQGJZIHCCGG-GQAVTEOGSA-N 359.267 3.994 30 40 FHEB Cc1ccc(C[C@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 15981514 XIGQAXMLRDUCCA-QGZVFWFLSA-N 370.460 3.556 30 40 FHEB O=[N+]([O-])c1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 3898471 BBMVALIQDHAFBY-AWQFTUOYSA-N 353.407 3.924 30 40 FHEB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c1 4901458 LOMPMWONKQWSTK-LJQANCHMSA-N 367.401 3.501 30 40 FHEB Cc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608799 XRODBECITGZSKO-BLVKFPJESA-N 364.380 3.734 30 40 FHEB CC[PH](CC)(C1=C(O)C(=O)C(Cl)=C(Cl)C1=O)c1ccccc1 104044377 OLXQTNNIJYBPIX-UHFFFAOYSA-N 359.189 3.712 30 40 FHEB C=CCNC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2 4185130 SLCMIWHXXZJSNZ-UHFFFAOYSA-N 370.474 3.560 30 40 FHEB N#Cc1ccsc1NC(=O)CCNc1ccc(Br)cc1 7904770 GTCAQYNJZXHMGC-UHFFFAOYSA-N 350.241 3.823 30 40 FHEB COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 72305035 IJAXEOFHPVWMIY-ICSRJNTNSA-N 356.466 3.533 30 40 FHEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409234502 LDROZIBPTBEIEJ-IEMQHYRPSA-N 368.414 3.786 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 18077919 PTPNUYVYQOZKIP-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3F)sc2c1 814055 JYNMTRPUVGIMJT-UHFFFAOYSA-N 354.366 3.518 30 40 FHEB Cc1n[nH]c(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1 101296473 UVROYZCIPZHRDT-UHFFFAOYSA-N 361.401 3.990 30 40 FHEB COc1ccc([C@@H]2C[C@H]([C@H]3C(=O)CCC[C@@H]3O)C3=C(CCCC3=O)O2)cc1 704347 QRSLYQPONMQITO-QMKUDKLTSA-N 370.445 3.510 30 40 FHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2cccc(F)c2)c1C#N 871994 UVOTUWPZFKBLBZ-UHFFFAOYSA-N 371.437 3.946 30 40 FHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 101231705 UJTVIKMRNQNSLS-LFVOPCPISA-N 363.413 3.611 30 40 FHEB CCSc1ccccc1C(=O)OCC(=O)N(CC#N)c1ccccc1 24872381 OAICTOLCZCAPCO-UHFFFAOYSA-N 354.431 3.512 30 40 FHEB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1sccc1C#N 25244651 WDJBEUYPVBZFJZ-JTQLQIEISA-N 361.496 3.590 30 40 FHEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccccc1 2263124 HNBIZUNLNXVIDE-HZHRSRAPSA-N 355.397 3.858 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 9949635 BZRFJXKLRHHADM-CYBMUJFWSA-N 360.460 3.581 30 40 FHEB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 75109975 YAYCMMXIXWEOKO-HZPDHXFCSA-N 358.442 3.516 30 40 FHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc2ccccc12 408739528 CLLIXSVSAWRLPU-NEIHUHTASA-N 373.437 3.606 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2cccnc2Oc2ccccc2)cc1 41863836 FYYWJQLTADWOOO-UHFFFAOYSA-N 360.369 3.981 30 40 FHEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1Cl 1045444 WCVQMHTZKSEZTB-CQSZACIVSA-N 359.838 3.588 30 40 FHEB COCC/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643570419 FIAVRFHFAKXHMP-UHFFFAOYSA-N 369.465 3.809 30 40 FHEB COc1cccc([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1 20029524 XQWXNFLYYDSKJD-GFCCVEGCSA-N 364.430 3.541 30 40 FHEB Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccc(Cl)cc1 2889078 MBDWRQVPGVTQHI-UHFFFAOYSA-N 366.837 3.960 30 40 FHEB Cc1nc(CC(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cs1 105085884 UFCIICLYGJIPSV-HTXNQAPBSA-N 359.520 3.904 30 40 FHEB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCS/C1=N\Cc1ccccc1 2642104 UPUYMYMPUUJINC-QCOBJIBASA-N 366.442 3.560 30 40 FHEB CCOc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 12994017 VNIQQDNXWWXDLD-ZIAGYGMSSA-N 366.417 3.686 30 40 FHEB CN(C(=O)COc1ccccc1Br)C1(C#N)CCCCC1 14197949 MDYBAIQDTWWOBZ-UHFFFAOYSA-N 351.244 3.513 30 40 FHEB CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cn2)CC1 95468933 CHKQPZSDYFDWST-QGZVFWFLSA-N 373.460 3.695 30 40 FHEB COc1cc(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(C)C 193442882 SMUZJGZWDNLGLP-UHFFFAOYSA-N 358.463 3.994 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2 9359177 RHDFSFOXMIXPND-FOIQADDNSA-N 360.392 3.833 30 40 FHEB COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OCCC(C)C 3277327 VPUSHTNQCNYPIE-LPYMAVHISA-N 366.417 3.750 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccco1 4919900 MIAKANQSXNUVFG-YWZLYKJASA-N 370.401 3.616 30 40 FHEB N#Cc1ccccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 5646737 PCMHYWZVBROPFW-ODLFYWEKSA-N 369.405 3.589 30 40 FHEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2ccccc2O)cc1 5664420 AHOIFVMTLJCNSD-UCQKPKSFSA-N 355.397 3.960 30 40 FHEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CCCC2)NC1=O 8490633 NGRYGYXKKNFHHS-AWEZNQCLSA-N 365.886 3.507 30 40 FHEB COCCn1c(C)cc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)c1C 9596506 PBUFWINQNHMOPP-QZQOTICOSA-N 370.522 3.690 30 40 FHEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1cccs1 13136118 RRXCQTIWJNRWFD-RKMUFHOUSA-N 355.488 3.811 30 40 FHEB COc1ccc(C2(C/N=C/c3ccc(O)cc3)CCOCC2)cc1OC 18122361 UUTRDSKWQOIDLJ-HYARGMPZSA-N 355.434 3.577 30 40 FHEB biogenic CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1cccc(F)c1C#N 29531099 XRESUSQFOANVPR-UHFFFAOYSA-N 365.330 3.626 30 40 FHEB N#Cc1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 32609692 BEIOSAXRPGTWAQ-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB N#CCN(C/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 40155681 LQMDGAYVOLBRBN-UHFFFAOYSA-N 358.785 3.862 30 40 FHEB COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)CC(c2ccccc2)CC1=O 100584905 CJPGLVCSXSEGNM-UHFFFAOYSA-N 366.373 3.615 30 40 FHEB C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768303 ACQKFMVDLAKPLO-MRXNPFEDSA-N 370.880 3.602 30 40 FHEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225028588 ZQAIUJNGHPUQRW-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@H]2CCSC2)c1 225720411 PYJPCVYMBHZJCP-AWEZNQCLSA-N 359.838 3.743 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@@H](OC)[C@@H](OC)C=C3)S2)cc1 256055480 IFLBYDHUEBHJIN-CVAFCFIJSA-N 370.474 3.510 30 40 FHEB COc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408816873 MJAMORQMYNFLDP-WQRHYEAKSA-N 365.227 3.638 30 40 FHEB CCOC(=O)c1sc(NC(=O)c2ccccc2OCC)c(C#N)c1C 994638 VNKDNPNPJWVFTF-UHFFFAOYSA-N 358.419 3.756 30 40 FHEB COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 24134259 ZQOXBCGODJLSDG-GOSISDBHSA-N 353.378 3.825 30 40 FHEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccc(O)cc1 1244201 MSBOGGFWWCVUHU-OEAKJJBVSA-N 371.396 3.563 30 40 FHEB N#Cc1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 10139707 FMACUKSQBCYIHJ-UHFFFAOYSA-N 358.445 3.858 30 40 FHEB N#Cc1cc(F)c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 58250543 MBHZGVXNUBSTEH-UHFFFAOYSA-N 361.367 3.549 30 40 FHEB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 58420557 XEIKELJOIOQRIF-LJQANCHMSA-N 362.408 3.942 30 40 FHEB Cn1c(-c2ccc(Br)cc2)cs/c1=N/N=C/c1cccnc1 5242423 ATZSONHLSCDTIH-QZAMUAOBSA-N 373.279 3.846 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCCC2 4699730 XABNZRXBVZEYMC-UHFFFAOYSA-N 359.451 3.764 30 40 FHEB COc1cc(CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC 6653104 KMOATADMPOWOPW-UHFFFAOYSA-N 374.824 3.809 30 40 FHEB COc1ccc(Br)cc1/C=N/c1ccc2c(c1)nc(CO)n2C 6740817 LTIDMUFKWVECPI-DJKKODMXSA-N 374.238 3.587 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1 5800689 NMUPXGZROVNVQD-GOSISDBHSA-N 371.396 3.568 30 40 FHEB CC/N=C1/S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1CC 408931293 JPTDTWOMLMWYLU-IRYZSLSISA-N 370.434 3.698 30 40 FHEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 38175376 YDWXELOINWWRDU-REZTVBANSA-N 364.745 3.925 30 40 FHEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1 46084898 QDSWZAADFWUIDZ-HKWRFOASSA-N 365.216 3.906 30 40 FHEB C=CCc1ccc(OCCN2C(=O)[C@H](C)CNc3ccccc32)c(OC)c1 82087132 HBZKTGFCVRJEJM-MRXNPFEDSA-N 366.461 3.897 30 40 FHEB CN1/C(=C\C(=O)COC(=O)c2cccc(F)c2)C(C)(C)c2ccccc21 12546749 KMSRXKKJILIEJZ-UNOMPAQXSA-N 353.393 3.863 30 40 FHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(F)cc1 2487258 PQHGYSBJKMVMGD-GOEBONIOSA-N 374.437 3.594 30 40 FHEB COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCC4)cc1 4599916 DHNOWYSIHGTOFN-UHFFFAOYSA-N 369.471 3.560 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 4909971 LNPXOWKEEQTJHE-GHJLDSRNSA-N 367.474 3.858 30 40 FHEB CCCNc1c(/N=C(\O)c2ccc3c(c2)OCO3)c(=O)oc2ccccc12 6917538 WYPSELZNTNGQEZ-UHFFFAOYSA-N 366.373 3.980 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 7836150 YUIWOCAUQCTOBC-HNNXBMFYSA-N 364.445 3.702 30 40 FHEB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)csc2C1 8669600 GDRVPWORNLIBJD-LBPRGKRZSA-N 354.431 3.540 30 40 FHEB N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12876473 PXDCBVBYPZEBGN-SFHVURJKSA-N 372.446 3.827 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 13496535 AVCBRLPBAJRNON-HYARGMPZSA-N 370.368 3.854 30 40 FHEB Cc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 14165006 KRCXDGREQPWMQR-MEBBXXQBSA-N 362.355 3.873 30 40 FHEB CCNC(=S)N/N=C\c1ccc(-c2ccc(C)cc2Br)o1 33862397 AUYCQGNKCDAOBP-NVMNQCDNSA-N 366.284 3.835 30 40 FHEB CC1(C)CO/C(=C\C(=O)c2ccc(F)cc2)N1C(=O)c1ccc(F)cc1 36625110 GWTFZMLRXPAYLO-WQRHYEAKSA-N 357.356 3.940 30 40 FHEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCOc1ccccc1 46084883 HMWPMFHIWZULPO-RGEXLXHISA-N 351.189 3.597 30 40 FHEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)CCc2cccc(Cl)c2)c1 48560612 TUGGEFMAMTUQPB-UHFFFAOYSA-N 365.838 3.821 30 40 FHEB C=CCN(Cc1ccccc1F)C(=O)c1csc(-c2cnn(C)c2)n1 58180146 MPHHOAJOJFIOHF-UHFFFAOYSA-N 356.426 3.511 30 40 FHEB C=CCOC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 85346858 ZJSDULJTNPNMSM-UHFFFAOYSA-N 352.140 3.960 30 40 FHEB COc1ccccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 95215268 MEPLQFZXHHENRW-DARPEHSRSA-N 370.412 3.914 30 40 FHEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(F)c(Cl)c2)cc1 97229769 KGMABSNRPBMQIX-YCRREMRBSA-N 353.802 3.747 30 40 FHEB CC(C)(C1=CC(=O)c2ccccc2C1=O)C1OCC2(CO1)C[C@@H]1C=C[C@@H]2C1 102451880 TTZJTCPHAMSKFF-JIFPUWNNSA-N 364.441 3.974 30 40 FHEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2cc(F)ccc2N1C1CSC1 223753459 AFWHDDVPOAMCOT-PGMHBOJBSA-N 361.829 3.757 30 40 FHEB COc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1[N+](=O)[O-] 408977366 DANOIXFLWJLAOL-UHFFFAOYSA-N 360.373 3.925 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1Sc1ccccc1 409405468 HGBOZZZONRUKMY-HZVDNRATSA-N 374.465 3.979 30 40 FHEB O=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@H](c2ccc(F)cc2)N1 3175259 XKJQUBQQCPBECX-HNNXBMFYSA-N 364.298 3.722 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccnc2)n1 58266885 FANPVDZEPUYTQA-UHFFFAOYSA-N 365.433 3.549 30 40 FHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 14158413 PJZSSDIACJOTPW-GOSISDBHSA-N 363.392 3.595 30 40 FHEB CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 4540725 TVNZVRNXLLEPQN-LJQANCHMSA-N 359.425 3.990 30 40 FHEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O 409124573 IGCOKCUBTUOLMG-ZECSTPGPSA-N 364.829 3.605 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccccc1 16737261 KPZYRTMMBCWDLD-IBGZPJMESA-N 363.413 3.850 30 40 FHEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 409130459 HXXYFRWDDRHSCA-SFQUDFHCSA-N 368.820 3.998 30 40 FHEB C=CCN1CC[C@@]2(CN(Cc3ccc(C)s3)C[C@H]2c2nccs2)C1=O 306129967 ISTBVOOOWJHWNR-LPHOPBHVSA-N 373.547 3.517 30 40 FHEB N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)s1 573592978 VYJXBSPUOAFWER-KRWDZBQOSA-N 365.462 3.933 30 40 FHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccccc1 224665720 MXHASZLYIWBCAN-UHFFFAOYSA-N 352.253 3.830 30 40 FHEB NS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1227825 RYYKDXCWLZFTCU-HYARGMPZSA-N 366.442 3.664 30 40 FHEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1Cc1ccco1 3187140 ALUFFCOZYZAAOR-UHFFFAOYSA-N 371.849 3.769 30 40 FHEB Cc1nnc(/N=C(\O)CN2CCC(c3c[nH]c4ccccc34)CC2)s1 24335418 GLWPOFDIXQCKCQ-UHFFFAOYSA-N 355.467 3.795 30 40 FHEB CCCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CCC)n2cnnc2S1 4518251 NODQGWZIUWPDDA-UHFFFAOYSA-N 370.478 3.695 30 40 FHEB O=C(O)COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1Cl 59679493 ABPNAIBRGKPWNZ-KEBDBYFISA-N 355.781 3.798 30 40 FHEB C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 12796741 CNNRYLAGPMGWKV-UHFFFAOYSA-N 372.490 3.550 30 40 FHEB N#Cc1cccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c1 3354757 JGYNMNJPMMFJJR-UHFFFAOYSA-N 371.396 3.828 30 40 FHEB C#CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409087332 CEHFZLZARWQNLW-RGEXLXHISA-N 373.408 3.780 30 40 FHEB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=Nc2ccc(C)cc2)NC1=O 408965187 UKRBUPOGGJHPQR-MHWRWJLKSA-N 369.402 3.803 30 40 FHEB CCOc1ccccc1-n1nc(C#N)c(N2CC[C@@H](c3ccccc3)C2)n1 256047802 OUHGMNURECQVRX-QGZVFWFLSA-N 359.433 3.532 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 1015268 NJJQFALMVCLFSX-UKTHLTGXSA-N 367.268 3.737 30 40 FHEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2=O)cc1 7325188 JQQRNYUTNXZYDW-MDWZMJQESA-N 357.413 3.895 30 40 FHEB CCCCOc1ccc(/C=N/Nc2cc(-n3cc(C)cn3)ncn2)cc1 4595709 SUVPECMQOIYETB-WSDLNYQXSA-N 350.426 3.596 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)c1ccccc1 36398110 UXUJLDYBAOWYSU-INIZCTEOSA-N 352.434 3.646 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(I)cc2)cc1 3555973 ABHOBGZDHIRFTJ-UHFFFAOYSA-N 363.154 3.520 30 40 FHEB CCCCCCCCCS(=O)(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3140793 WEPPRKDCHDCPTB-SAPNQHFASA-N 355.460 3.599 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](C)n2cnc3ccccc32)n1 52779044 UZHJQPUIWQHKBZ-GFCCVEGCSA-N 362.393 3.679 30 40 FHEB CN(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 809035 SOLKDPXJGDYOJQ-UHFFFAOYSA-N 356.219 3.978 30 40 FHEB C=CCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 2485393 DWBFLVGEOZKHCO-UHFFFAOYSA-N 359.398 3.618 30 40 FHEB COC[C@@H](C)n1c(SCc2ccccc2C#N)nc2ccccc2c1=O 3542481 VWNIXMFYYSWQJX-CQSZACIVSA-N 365.458 3.768 30 40 FHEB C=CCc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)oc12 4263111 KICWUFCOQSEIFG-UHFFFAOYSA-N 350.330 3.682 30 40 FHEB CCCCc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 5182959 QFUINTPUBGYNSJ-UHFFFAOYSA-N 360.461 3.633 30 40 FHEB CCOc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1 15108106 BOLTUAVIIQAYPV-JXMROGBWSA-N 356.374 3.727 30 40 FHEB O=c1c(/C=N/Cc2ccccc2)c(NCc2ccccc2)nc2ccccn12 18193914 WEEQZZWITDXJGY-JJIBRWJFSA-N 368.440 3.926 30 40 FHEB COc1c2c(c(C(=O)/C=C/c3ccc(C)cc3)c3c1OCO3)CCN(C)C2 20112908 GJNZTNYOBNYMLN-CMDGGOBGSA-N 365.429 3.616 30 40 FHEB biogenic C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1-c1ccco1 58209163 JPVCMKSRUXAARX-UHFFFAOYSA-N 368.462 3.718 30 40 FHEB CCOc1cc(/C=C2/Cn3cccc3C2=O)cc(Br)c1OC 96941986 IDLDDKCUTMYQSM-GHXNOFRVSA-N 362.223 3.938 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(OC)ccc21 100875899 TXWXHPBIDRTABL-MRCUWXFGSA-N 350.443 3.703 30 40 FHEB COc1ccccc1C(=O)[C@H](C#N)C(=O)c1cnn(-c2ccccc2C)c1C 103503184 OSLHKIFCXPAAPS-KRWDZBQOSA-N 373.412 3.703 30 40 FHEB C(=N\NC(=N/N=C/c1ccccc1)N/N=C/c1ccccc1)\c1ccccc1 104128833 SSXKGMZGFGMDHX-YLPNSXJCSA-N 368.444 3.624 30 40 FHEB N#CCCN(C(=O)CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1 2619437 DVAQZDSSPVYBLS-UHFFFAOYSA-N 372.381 3.508 30 40 FHEB C=CCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 5664237 HUSVMZIKWFAXQK-OJXGSEEGSA-N 368.483 3.886 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc2c(c1)OCO2 6763832 PQFVBFOLDZHDGD-LJQANCHMSA-N 350.374 3.549 30 40 FHEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 7217454 DSTARGFSNGUFCI-MRXNPFEDSA-N 369.471 3.694 30 40 FHEB CC(C)CSc1nnc(SCC(=O)Nc2sccc2C#N)s1 7231693 PUPMHOOKFFEDGG-UHFFFAOYSA-N 370.550 3.950 30 40 FHEB N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccco1 19900855 LZBOBIXSMDCUFY-UHFFFAOYSA-N 360.398 3.642 30 40 FHEB C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c(CC(C)C)csc21 32073737 QDSMUDVYJXTSKQ-UHFFFAOYSA-N 354.435 3.750 30 40 FHEB COc1ccccc1[C@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)n1C 68355924 JBKSWEWTSQYWFA-KRWDZBQOSA-N 363.392 3.834 30 40 FHEB C#CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408593009 NXEHSNWZCHLNHX-RGVLZGJSSA-N 374.780 3.820 30 40 FHEB CCOc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 891579 UDLQXINKNMAIQJ-UHFFFAOYSA-N 367.430 3.507 30 40 FHEB CCOc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1O 1196897 NHDKWVPPTYJAPH-KGENOOAVSA-N 359.857 3.600 30 40 FHEB N#Cc1c(NC(=O)CO/N=C/c2ccccc2)sc2c1CCCCC2 2289500 VXUNSTVHVWFTJW-CIAFOILYSA-N 353.447 3.878 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2cccs2)sc2c1CCCCC2 3246708 BOCHFRPCWHIGMO-UHFFFAOYSA-N 360.460 3.746 30 40 FHEB Cc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)c(C)n1-c1ccccc1 3248199 NEZLCXNDTWKXBD-UHFFFAOYSA-N 373.412 3.761 30 40 FHEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCCO 6181239 SSECTKMPQBYUTG-CIAFOILYSA-N 356.447 3.629 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348006 VZZAQIQKMSQOAV-QGZVFWFLSA-N 363.442 3.792 30 40 FHEB Cc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2OCC(C)C)c(C)c1 18166926 QUUVGBNUVKEXEJ-WSDLNYQXSA-N 364.449 3.544 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/n2c(CCc3ccccc3)n[nH]c2=S)cc1 27526005 GUTONJXTZGUZBH-LDADJPATSA-N 353.407 3.516 30 40 FHEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NC[C@H]1CCCO1 39404126 OGMQYHLJKTUTPD-OAHLLOKOSA-N 365.389 3.976 30 40 FHEB N/C(=N\OCc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)nc1 60212857 XZYXVBIMXICKTG-UHFFFAOYSA-N 362.836 3.702 30 40 FHEB CCCCn1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1=O 65453244 FTDCRTSBCAKEIO-AWEZNQCLSA-N 370.478 3.690 30 40 FHEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C)cc32)c1 223721557 LEJWWMQDWHRSOC-QOCHGBHMSA-N 351.475 3.890 30 40 FHEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(F)cc3)o2)cc1 408771940 LOERZJZGAMJNRL-CIAFOILYSA-N 372.421 3.956 30 40 FHEB COc1cc(Br)cc(C=C2C(=O)c3ccccc3C2=O)c1OC 408913074 KNGXKYFZPRUNAH-UHFFFAOYSA-N 373.202 3.929 30 40 FHEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409072290 MYLMWZGUUNGZOR-PXLXIMEGSA-N 352.434 3.759 30 40 FHEB COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409187310 OSRROYCEYXYDDN-JAIQZWGSSA-N 372.377 3.684 30 40 FHEB O=C(c1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358848 UNBPXRXKDDBJCO-UHFFFAOYSA-N 359.241 3.539 30 40 FHEB N#CC1(C(=O)N2CC(c3ncn4ccc(-c5ccoc5)cc34)C2)CCCC1 1565555092 RDLJAYMOGNOIMM-UHFFFAOYSA-N 360.417 3.604 30 40 FHEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2c1 1354428 IZANFAPZGBKJLQ-UHFFFAOYSA-N 352.419 3.751 30 40 FHEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c(OC)c1 4870670 VCJXFIOWKVEYNF-IBGZPJMESA-N 367.401 3.501 30 40 FHEB C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 5032036 LKNUMYQWQYTHSW-ZHZULCJRSA-N 358.829 3.794 30 40 FHEB C=CC[C@@]1(C#N)C(S)=NC(C)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 6763813 DBEONQBTUKNBMO-WMZOPIPTSA-N 355.419 3.969 30 40 FHEB C[C@@H](NC(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 12974844 YMCPOJHHPCZBMI-AYPRBGQRSA-N 367.361 3.569 30 40 FHEB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c1 12987279 SRCPVOHSYLLFLS-RGFVMQALSA-N 362.429 3.952 30 40 FHEB CCc1cc(C#N)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 95364932 DBQLKUJDEYTCRW-LBPRGKRZSA-N 373.865 3.827 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(CC)cc2)C1=O 98050536 CRVKPKPMMINFKN-HXUWFJFHSA-N 359.470 3.565 30 40 FHEB Cc1ccc2c(c1)N/C(=C/C(=O)c1cccc(Br)c1)C(=O)O2 100820621 ZGGCXXSRNRIUHB-NTEUORMPSA-N 358.191 3.855 30 40 FHEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793011 OOUVOTMMQLOWHO-UHFFFAOYSA-N 361.463 3.702 30 40 FHEB COc1ccc([C@H](/N=C(/O)N2CCO[C@H](C(C)(C)C)C2)C(F)(F)F)cc1 331309804 GIZLHPPVPLNJAV-GJZGRUSLSA-N 374.403 3.960 30 40 FHEB CCOC(=O)COc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1 408979947 OVKPGURIPISXAZ-UHFFFAOYSA-N 373.412 3.642 30 40 FHEB Cc1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585294602 SFTQXWATWMOIND-KRWDZBQOSA-N 365.462 3.814 30 40 FHEB CCOc1ccc(OCCO/N=C/c2ccc(OCC)c(OC)c2)cc1 6625732 IMUFXYQRFPNMIG-RCCKNPSSSA-N 359.422 3.922 30 40 FHEB O=C1N/C(=N\N=C/c2ccc(Br)cc2)S[C@@H]1c1ccccc1 9189495 FNAWFUVYZDQEOE-FNHQQPGVSA-N 374.263 3.743 30 40 FHEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2n1C 59303447 OXYCLTRQWOVSMT-VCHYOVAHSA-N 353.338 3.749 30 40 FHEB N#Cc1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3318530 CCUNCPYPQNOTSD-UHFFFAOYSA-N 361.401 3.544 30 40 FHEB CCN(C(=O)COc1ccccc1C#N)c1nc2c(C)cccc2s1 3407582 ZXCCQYQMJSQHLF-UHFFFAOYSA-N 351.431 3.908 30 40 FHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 4186953 UIUNWMXQKVVVBW-LIXBPZJASA-N 368.458 3.979 30 40 FHEB COc1ccccc1OCCn1c(C#N)cc(N)c1Cc1cccc(C)c1 225862740 HBUMSBSXZQXMSU-UHFFFAOYSA-N 361.445 3.929 30 40 FHEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2cc(F)c(F)cc2F)n1 95474790 IBACUBNSLIDGJG-UHFFFAOYSA-N 362.311 3.728 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4O[C@]4(C(C)C)C[C@]3(O)CC[C@H]21 5086735 NIVDSAIYKQNARX-VNRGXTSDSA-N 350.499 3.701 30 40 FHEB CN(C)c1ccc(/[N+]([O-])=C/c2ccc(Br)cc2[N+](=O)[O-])cc1 13409600 GUEMGAMTWVTTTQ-ZDLGFXPLSA-N 364.199 3.684 30 40 FHEB Cc1cc(Cl)ccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 5009223 SKTRAIDRIMYCBH-UHFFFAOYSA-N 355.850 3.975 30 40 FHEB COc1cccc2cc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c(=O)oc12 3911106 RHLONGAWQSGSOH-CMDGGOBGSA-N 351.314 3.606 30 40 FHEB CCN(CC)CCCNc1oc(/C=C/c2cccc(OC)c2)nc1C#N 7263581 MQHJLCXWKZVDSK-ZHACJKMWSA-N 354.454 3.869 30 40 FHEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5306480 OCYJNRBKNOXALJ-YCRPNKLZSA-N 372.428 3.702 30 40 FHEB O=C(O)/C(=N\c1ccccc1C(=O)NCc1ccccc1)c1ccccc1 20428747 VHNXBORBYSLEKG-GFMRDNFCSA-N 358.397 3.822 30 40 FHEB C=C(C)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(C)c(C)sc21 32088236 XTAUKFJYDIUDSP-UHFFFAOYSA-N 364.474 3.889 30 40 FHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(O)c2)C1=O 1171818 QACUBQWCGAZUDO-RVDMUPIBSA-N 353.399 3.546 30 40 FHEB C=CCc1cccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)c1O 2268794 DVWWGENHESMPMP-FOKLQQMPSA-N 358.401 3.503 30 40 FHEB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1ccc(C#N)cc1 8390371 KPQCCHJCHJXWPS-BUHFOSPRSA-N 369.424 3.822 30 40 FHEB COc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1S(=O)(=O)O 11612600 CXHADBHCKVFEFS-GRSHGNNSSA-N 363.435 3.830 30 40 FHEB Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1C 12463105 CITPYDZJKKFHTQ-MBOBHEEDSA-N 367.474 3.894 30 40 FHEB C=C(C)COc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 13731544 LMRXYTFZJQLYGE-UHFFFAOYSA-N 355.419 3.683 30 40 FHEB Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 17945186 QDFUONQEBFMDOP-GOSISDBHSA-N 350.466 3.985 30 40 FHEB CCc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c2c1CCCC2 20120569 NSCBAAFUNDZPBU-UHFFFAOYSA-N 368.458 3.781 30 40 FHEB N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(C(N)=O)cc2)cc1 22416235 IGJZFEFPFCDUPY-UHFFFAOYSA-N 356.381 3.681 30 40 FHEB COc1ccc(CCNc2oc(-c3cccs3)nc2C#N)cc1OC 27662947 BAFHEAQGTJIQKW-UHFFFAOYSA-N 355.419 3.947 30 40 FHEB CCc1cc(N2CC[C@@H](CN(C)CC)C2)n2c(nc3ccccc32)c1C#N 72302148 NDCZZNLIWIWJPJ-INIZCTEOSA-N 361.493 3.700 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 100054094 WCNOMTXXYDUQJZ-LKUXTKQQSA-N 374.440 3.770 30 40 FHEB COc1ccc(/N=C2/S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2C)cc1 100260714 BYDALXQNCNENDF-GDOHLEIWSA-N 370.430 3.643 30 40 FHEB CCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 101674238 FWOBZDGKAIXVGK-LJQANCHMSA-N 367.554 3.512 30 40 FHEB Cc1ccc2c(c1)N/C(=C\C(=O)c1ccc(Br)cc1)C(=O)O2 103742562 AKOBLMWLPLKJOB-ZROIWOOFSA-N 358.191 3.855 30 40 FHEB CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 118922965 FSKYYHQTBLJUML-ZXYIWLIBSA-N 360.494 3.811 30 40 FHEB C=CCN(C(=O)c1cc2c(s1)CCNC2)c1nc2c(s1)CCCC2 685938992 UUDYTRVEMORGBD-UHFFFAOYSA-N 359.520 3.562 30 40 FHEB C[C@H]1Cc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 105572677 LEENUWDLILAWHQ-YOEHRIQHSA-N 354.413 3.675 30 40 FHEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O 13402479 BWJQNYYVFLBUAY-MRXNPFEDSA-N 372.494 3.621 30 40 FHEB CCc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 13758177 FANWLXJOYIVBRZ-UHFFFAOYSA-N 361.465 3.843 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 6589134 KYWZEGCQXILPKC-UHFFFAOYSA-N 356.816 3.630 30 40 FHEB C=CCn1c(-c2cccnc2)nn(CN2CCc3ccccc3C2)c1=S 6985894 QZNVEVJDKLVVRZ-UHFFFAOYSA-N 363.490 3.678 30 40 FHEB C=C(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 16246700 HBWYEHYXSRXDHM-UHFFFAOYSA-N 365.385 3.619 30 40 FHEB CCc1cc(N2CC[C@H](CN(C)CC)C2)n2c(nc3ccccc32)c1C#N 72302147 NDCZZNLIWIWJPJ-MRXNPFEDSA-N 361.493 3.700 30 40 FHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224860488 LTGRCQGNNCCNAI-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccncc3)n2)cn1 585295280 SOBNTOWQGOVHPD-HXUWFJFHSA-N 356.433 3.824 30 40 FHEB O=[N+]([O-])c1ccc(Cl)c(/C=N\n2c(S)nnc2-c2ccccc2)c1 4680295 YWGVZRGVOKBRJO-MFOYZWKCSA-N 359.798 3.678 30 40 FHEB COc1ccc(OC)c(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c1 4491624 CZSQEMRDXQRHDH-GZTJUZNOSA-N 354.431 3.904 30 40 FHEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)o1 32999863 LAJMBWRQUYIQIT-UHFFFAOYSA-N 366.421 3.667 30 40 FHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)cc1 823642 DDYAHWPXOJULFD-IBGZPJMESA-N 355.434 3.616 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 1920824 NSYGLUPWFMHDRB-UHFFFAOYSA-N 357.391 3.637 30 40 FHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n([C@@H](C)c3ccccc3)c2)c1 3292130 NSZNMFRBXOKLGO-HNNXBMFYSA-N 358.397 3.574 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C 3383344 WXYKNCSOMDQAAF-UHFFFAOYSA-N 350.513 3.938 30 40 FHEB Cc1nc(SCC(=O)N2CCc3ccccc3C2)c(C#N)c(C)c1C 5172622 GFGKCUVIHYYUHD-UHFFFAOYSA-N 351.475 3.556 30 40 FHEB COc1ccccc1-n1c(SCC#N)nc2cc(Cl)ccc2c1=O 5216724 HQMXLQRGTBGUTG-UHFFFAOYSA-N 357.822 3.663 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)C1=C(N2)c2ccccc2C1=O 6664571 XSLCJNBVGDBGBE-IBGZPJMESA-N 371.392 3.717 30 40 FHEB C=CCn1c(=O)n(C2CCCCC2)c(=O)c2cc(Br)ccc21 6759130 BZHZECZROCIZFO-UHFFFAOYSA-N 363.255 3.617 30 40 FHEB Cc1[nH]c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc1Cc1ccccc1 9946758 ZFDXFDLCDVTODK-FOIQADDNSA-N 370.522 3.844 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 13389604 KADSIQVXWKKROW-YVLHZVERSA-N 352.415 3.869 30 40 FHEB Fc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F 17434122 SXFVOOSWOKCVKQ-UHFFFAOYSA-N 372.219 3.504 30 40 FHEB Cc1cc(NCC(=O)NC2(C#N)CCCCCC2)ccc1Br 32906652 MDZMORQMAWCRIN-UHFFFAOYSA-N 364.287 3.902 30 40 FHEB Cc1nc(NC(=O)CCC(=O)c2cccs2)sc1SCC#N 44789113 LTEXJVJWVUOESG-UHFFFAOYSA-N 351.478 3.730 30 40 FHEB C[C@H]1CCCCN1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 57993102 NLQVPRJQLCSIHJ-KRWDZBQOSA-N 354.498 3.506 30 40 FHEB CC(C)(C)c1nc(CO/N=C(/N)c2cccnc2N2CCCCC2)cs1 58498089 VTSAJGRVMAFVHE-UHFFFAOYSA-N 373.526 3.663 30 40 FHEB N#Cc1ccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 95349084 GPSOUHBKDDYANB-UHFFFAOYSA-N 356.429 3.767 30 40 FHEB CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1-c1ccccc1 409117308 LILIXRZPPGJQDH-UHFFFAOYSA-N 368.336 3.964 30 40 FHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 9356420 FJSPVYUOGFJKEE-UHFFFAOYSA-N 368.252 3.815 30 40 FHEB C/N=c1\scc(-c2ccccc2Br)n1/N=C/c1ccco1 12657200 WWKWEQDKKQOFIM-OAHHMDGGSA-N 362.252 3.985 30 40 FHEB Cc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1[N+](=O)[O-] 13424429 GLWJFXBBQMLMOD-DHDCSXOGSA-N 357.366 3.934 30 40 FHEB N#Cc1cccc(Cn2cc(-c3cnn(Cc4cccc(C#N)c4)c3)cn2)c1 49605867 JDGKJQRGCNXLHZ-UHFFFAOYSA-N 364.412 3.587 30 40 FHEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1O 75260554 WHMZJICXBLKBFH-DOXJHMMXSA-N 354.431 3.943 30 40 FHEB C=CCOc1ccc(/C=C2\CS(=O)(=O)c3ccc(Cl)cc3C2=O)cc1 96931819 JDPRPOURFOVRIN-GXDHUFHOSA-N 374.845 3.958 30 40 FHEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106692525 ZJWIQNWLQMVMLH-BOPFTXTBSA-N 368.389 3.965 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475477 GGZICSKIXLMAQP-HXUWFJFHSA-N 354.425 3.608 30 40 FHEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccc(F)cc2)n1 227129496 CAFJDMDZGJULPZ-WYRIXSBYSA-N 352.413 3.552 30 40 FHEB COC(=O)c1cccc(/N=C\c2ccccc2I)c1 408552020 RJEZFVWKFYZCMO-YVLHZVERSA-N 365.170 3.828 30 40 FHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C)s1 408799586 ZNPHAFIXIMJLPD-MRXNPFEDSA-N 351.427 3.798 30 40 FHEB COc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Cl 408882270 OEXXCVSITVZJSB-GIJQJNRQSA-N 373.261 3.623 30 40 FHEB Cc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cn1 585294164 OXODNOQHVOHGLA-FQEVSTJZSA-N 371.448 3.527 30 40 FHEB Cc1c(CCOC(=O)C23C[C@@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1CC#N 100586917 WYESXHHXQSLESP-JZFKGDSASA-N 359.515 3.560 30 40 FHEB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccncc1 9265037 GKASPBXQMGBJPS-UKTHLTGXSA-N 360.236 3.736 30 40 FHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 104570964 YMYQKNCRYXTGEQ-VDWFFLBBSA-N 366.804 3.741 30 40 FHEB COC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 96193733 MDGHTTXZMNRAKR-UHFFFAOYSA-N 351.410 3.541 30 40 FHEB N#CC1(NC(=O)CN(Cc2cccs2)Cc2cccs2)CCCC1 9048968 AVNSOUWXAXTCNB-UHFFFAOYSA-N 359.520 3.764 30 40 FHEB Cc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408959918 AKLMBSBLJOMPPW-OEAKJJBVSA-N 361.445 3.559 30 40 FHEB C=CCSc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 219820497 APNGQQYWJWGGAA-UHFFFAOYSA-N 367.518 3.969 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 6269002 PLTXNMKSVVVVJL-XDHOZWIPSA-N 370.365 3.950 30 40 FHEB C=C(C)Cn1cnc2c(sc3nc4c(cc32)CO[C@](C)(CC)C4)c1=O 32103256 WWKHTFWKGHZHNA-LJQANCHMSA-N 355.463 3.824 30 40 FHEB O=C1/C(=N\c2cccc(Cl)c2)C(N2CCOCC2)=C(O)c2ccccc21 102925624 HCPOZIRDEFIJMM-XLNRJJMWSA-N 368.820 3.868 30 40 FHEB N#C[C@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@H]12 1272730 NJIMBDNRCFGZTG-VQIMIIECSA-N 350.381 3.762 30 40 FHEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O 13769556 HVIIVDXWQLGFCU-WJDWOHSUSA-N 371.414 3.504 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(S)C[C@@H](O)C[C@@H](S)[C@]34C)[C@@H]1CC[C@H]2O 118934956 KIBKUPGGOWPDIJ-AVZGNNOMSA-N 356.597 3.712 30 40 FHEB COc1cccc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1O[C@H](C)C(=O)O 409222033 BHKPCXBVBZSXIO-FGHSJCFPSA-N 358.350 3.514 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 409073866 JBBIBCXDWXOZMU-RVDMUPIBSA-N 355.375 3.608 30 40 FHEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 225643479 JNOQANVBTQBXFA-OWCLPIDISA-N 362.248 3.529 30 40 FHEB CCCc1nc(SCc2ccc(Br)cc2)nc(N)c1C#N 225892068 SAZMYGGSTXHLBF-UHFFFAOYSA-N 363.284 3.938 30 40 FHEB COc1cc(OC)c(C(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 17352250 TVKGYMYAOVADOP-VURMDHGXSA-N 358.390 3.626 30 40 FHEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20028809 XMLVJBHHFAJVSH-FQEVSTJZSA-N 368.452 3.806 30 40 FHEB Cc1nccc(-c2cccc(NCC(=O)N(C)C3(C#N)CCCCC3)c2)n1 42120895 ACJAMRZRUICWJR-UHFFFAOYSA-N 363.465 3.549 30 40 FHEB Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 100164503 KQKIASXYHXCNJG-RGVLZGJSSA-N 370.796 3.797 30 40 FHEB CCCCCCCCCS(=O)(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2190086 KRGGELMCCCTDAX-SAPNQHFASA-N 355.460 3.599 30 40 FHEB C=CCc1ccccc1OCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 27983995 KMLCWRMTNLXLIW-IYBDPMFKSA-N 355.434 3.837 30 40 FHEB C=CCn1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21 409220787 FUMOBGMOPZGGOO-SFQUDFHCSA-N 356.447 3.900 30 40 FHEB N#Cc1ccc(OCCOC(=O)c2csc(-c3cccs3)n2)cc1 14117872 XJXIREQRNNKMKR-UHFFFAOYSA-N 356.428 3.979 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 30856030 JGEZJSFUIYTIGD-SFHVURJKSA-N 356.397 3.538 30 40 FHEB CCc1nnc(Nc2ccc(OCCCOC)c(OC)c2)c(C#N)c1CC 561359417 VTLLUECXFPFFLY-UHFFFAOYSA-N 370.453 3.641 30 40 FHEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCOc1ccccc1Cl 46085213 SSYYJUSSYBAQLS-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 2396201 VJSVPNMTRZBNQN-MHWRWJLKSA-N 367.382 3.623 30 40 FHEB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N 18435201 HFKGRZFJUZNSHV-LBPRGKRZSA-N 365.462 3.650 30 40 FHEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O 20504064 YEKOVBDKFFIYOR-YQNUULROSA-N 350.418 3.778 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(Cl)c21 100909920 ZMLRSXHEABHGSU-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C 32850568 IHNOSKUEEDWEFD-UHFFFAOYSA-N 356.378 3.547 30 40 FHEB N#Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 3222607 ZNWYILASFSVMKC-UHFFFAOYSA-N 374.469 3.825 30 40 FHEB COc1ccc(OCc2nnc(S[C@H](C)C#N)n2-c2ccccc2)cc1 3354676 HIQMVESLIROEFW-CQSZACIVSA-N 366.446 3.859 30 40 FHEB O=C(/C=C/c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1ccccc1 4610461 RKZOLUFQUQJXJG-IMRLSRLASA-N 369.420 3.894 30 40 FHEB C/C(=N\Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 4964518 CJSKVDMYHFCXNB-REZTVBANSA-N 358.232 3.951 30 40 FHEB COc1ccc(Cc2nnc(SCc3cccc(C#N)c3)o2)cc1OC 20759994 XLJUMQWWQGBZGD-UHFFFAOYSA-N 367.430 3.842 30 40 FHEB C=CCN(CC=C)[C@@H](CNCc1c[nH]nc1-c1ccc(OC)cc1)C(C)C 48301496 CXKRHBWLCIZPPP-NRFANRHFSA-N 368.525 3.874 30 40 FHEB Cc1nnc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c(C#N)c1C 52407359 INEBZIZLHJDLIT-UHFFFAOYSA-N 365.414 3.590 30 40 FHEB Cc1cncc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c1 585295042 YHCNSHNXLWFVQI-HXUWFJFHSA-N 371.448 3.527 30 40 FHEB COc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3CCC[C@H]3C#N)c2)cn1 619806262 UIQITQPGGMIDAI-RDJZCZTQSA-N 350.422 3.879 30 40 FHEB N/C(=N\C1CCCCC1)c1cc(/C(N)=N/C2CCCCC2)cc([N+](=O)[O-])c1 3062728 WSGMETRWNJLEFE-UHFFFAOYSA-N 371.485 3.671 30 40 FHEB Cc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 4370571 JLVLIYRYNFAHNL-DJKKODMXSA-N 361.236 3.918 30 40 FHEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1ccc(O)cc1 4786006 ZOZJZCZSQAPROD-WBRURWICSA-N 372.515 3.960 30 40 FHEB Cc1cc(C)cc(/N=C2/NC(=O)[C@H](CC(=O)Nc3cccc(C)c3)S2)c1 5126902 KVGMFAJWSVGADW-KRWDZBQOSA-N 367.474 3.860 30 40 FHEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C)C[C@H](C)C1 5592031 BNJHKNQUWDOONF-SXYFACHFSA-N 371.403 3.972 30 40 FHEB C=CCNc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 5784284 ZTEQJCSCUKDFAI-CYBMUJFWSA-N 373.507 3.563 30 40 FHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)cn1 6490267 AWAHEPABJXJFGJ-MWVXYVBVSA-N 371.510 3.665 30 40 FHEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1Br 6736685 XRVXZTZKCCGTPI-LZYBPNLTSA-N 351.156 3.822 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 9361194 DCOSWCVEFAJWSB-JLTOFOAXSA-N 360.392 3.833 30 40 FHEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1ccnc1 169804818 BVGWKKIRRSZPDX-UHFFFAOYSA-N 358.160 3.726 30 40 FHEB C=CCOc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1 225827599 IHGAGXCQVJTITL-UHFFFAOYSA-N 372.475 3.850 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@H](OC)[C@@H](OC)C=C3)S2)cc1 256055481 IFLBYDHUEBHJIN-IKXUVQCLSA-N 370.474 3.510 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)cc1Cl 5012160 DHQREOGJOHBBIJ-UHFFFAOYSA-N 359.216 3.586 30 40 FHEB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 8429760 CSRGAPXQGRCWTE-NRFANRHFSA-N 365.408 3.835 30 40 FHEB N#Cc1ccc(NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1Cl 11721700 BJVFZTTXQLXCHD-UHFFFAOYSA-N 365.723 3.584 30 40 FHEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)Nc1nonc1N2 12389093 TVHQTECTFYYQIP-BTDLBPIBSA-N 366.352 3.781 30 40 FHEB CCC(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 13109417 MSSJGZMRGCCCEI-QZQOTICOSA-N 366.490 3.974 30 40 FHEB O=C(/C=C\N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)c(Cl)c1 16478664 KALJBRLAFRTEMZ-QWGSZXSUSA-N 364.228 3.975 30 40 FHEB CN1/C(=C\C(=O)COC(=O)Cc2ccsc2)C(C)(C)c2ccccc21 18169128 QOXSSIXBOUXVBZ-WQRHYEAKSA-N 355.459 3.714 30 40 FHEB N#Cc1ccc(OCCSc2nncn2-c2cccc(Cl)c2)cc1 25026480 NUPRYTDZENZYPF-UHFFFAOYSA-N 356.838 3.963 30 40 FHEB C=CCN(CC=C)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 27970007 WIZWKRAPXYHIKG-UHFFFAOYSA-N 360.255 3.508 30 40 FHEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccc(F)c3)nc2c1 35291539 MUFRACVFTXBDDU-UHFFFAOYSA-N 362.408 3.704 30 40 FHEB COc1ccc(S[C@@H](C)/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1 53528374 UEGJSZNHZBCEKT-NSHDSACASA-N 355.423 3.644 30 40 FHEB C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CC(=O)C[C@H]12)CC(=O)O 67913338 XKXZAYIPFRBKHT-YIPSCSJGSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3OC)c2)CCCO1 72345655 PBXSJQDEOLSJNV-QFIPXVFZSA-N 351.446 3.756 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1[N+](=O)[O-] 226817949 CMSMQQSFBYRQKE-KDOFPFPSSA-N 355.346 3.507 30 40 FHEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(N2CCCCC2)o1 409050418 VNDGUVBGASHQDH-WNFQYIGGSA-N 361.261 3.984 30 40 FHEB COc1cc(OC)c2ncc(C#N)c(OCc3nnc(C(C)C)s3)c2c1 418959667 BCOOSCAALRKGNX-UHFFFAOYSA-N 370.434 3.678 30 40 FHEB COc1ccc(-c2nc(SCCOC(C)(C)C)nc(O)c2C#N)cc1 58017312 JTAAIMSKYHVHRW-UHFFFAOYSA-N 359.451 3.637 30 40 FHEB CC/N=C1\S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC 4699837 FYXSZKMLJVUXCJ-ZNZSVTJWSA-N 374.293 3.662 30 40 FHEB O=C(O)c1ccccc1N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5555002 OLKJTWGACSNCPM-YBFXNURJSA-N 351.318 3.999 30 40 FHEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 6610162 RGSVMQAXLUAWAS-FQEVSTJZSA-N 370.474 3.935 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4839999 NZIGNPMLUUQZBE-UHFFFAOYSA-N 365.389 3.814 30 40 FHEB O=C(O)C[C@@H]1S/C(=N\N=C2CCCCCC2)N(c2ccccc2)C1=O 4834148 AYIUNZPZLKTQJH-ZJYNUGOYSA-N 359.451 3.676 30 40 FHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 8059744 FCJWEOPFKPXSGA-UHFFFAOYSA-N 359.433 3.986 30 40 FHEB CCOc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)c1 22608416 INFHUAROCBCSFN-GTNSWQLSSA-N 370.478 3.667 30 40 FHEB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 32910827 UCNPYCLWINOWEZ-HNNXBMFYSA-N 362.385 3.925 30 40 FHEB COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1C#N 6229957 PXIPEVNQKOTWHX-UHFFFAOYSA-N 352.459 3.917 30 40 FHEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102690992 IUYNOHCDQWSYCD-JYJNAYRXSA-N 366.465 3.671 30 40 FHEB CCOc1cc(C#N)ccc1OC(=O)CCc1c(C)nc(SC)nc1C 57819160 GRCJMBIFFKIZMC-UHFFFAOYSA-N 371.462 3.624 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccsc1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348406 CVHQIRCPOXQLJA-MRXNPFEDSA-N 363.442 3.792 30 40 FHEB Cc1ccc(C(=O)ON=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4053260 GNDTZADVJAPKKZ-UHFFFAOYSA-N 353.378 3.716 30 40 FHEB COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1 4679373 WZDXQKARZZCUSH-XNTDXEJSSA-N 356.378 3.504 30 40 FHEB CCCCCCCC(=O)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 8454091 IXIOGPPKPZYKJQ-INIZCTEOSA-N 357.376 3.629 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409020432 PEUZSWKHOSMJES-UDWIEESQSA-N 358.394 3.707 30 40 FHEB COC(=O)c1ccccc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409188085 WWYQAMWRUDTNSK-MTJSOVHGSA-N 355.390 3.554 30 40 FHEB COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2C)c1C 409065141 GQDTWYYPNFZTKQ-HYARGMPZSA-N 352.434 3.677 30 40 FHEB CC[C@@H](C#N)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 574009428 KKKWCPHOECRGGU-ZDUSSCGKSA-N 350.827 3.713 30 40 FHEB CCOc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)cc1 256048258 RUWACGBIEPMVSN-KRWDZBQOSA-N 359.433 3.532 30 40 FHEB O=[N+]([O-])c1ccccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4481355 JWIIOURVGSNDLG-QGMBQPNBSA-N 354.244 3.968 30 40 FHEB N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 3348229 SDNWAJDTXIFMRM-UHFFFAOYSA-N 371.643 3.775 30 40 FHEB Cc1cc(C)n(-c2cc(N/N=C/c3c(O)ccc4ccccc34)ncn2)n1 4713138 LBBYCHOMBORVFK-FOKLQQMPSA-N 358.405 3.584 30 40 FHEB O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cccc(OC(F)F)c1 12741787 FAJNUBWAUCHJTP-FNORWQNLSA-N 359.307 3.904 30 40 FHEB N#Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 12824205 CYXACTCHHXLXML-MRXNPFEDSA-N 365.389 3.969 30 40 FHEB CCOc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 12994019 VNIQQDNXWWXDLD-UONOGXRCSA-N 366.417 3.686 30 40 FHEB N#C[C@H](C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2s1 48824865 PPJVCQJLYMZCOT-GFCCVEGCSA-N 367.396 3.747 30 40 FHEB Cc1c(O)ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1O 4851671 JXUPGUKIUPYORV-FSJBWODESA-N 371.400 3.857 30 40 FHEB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)O/N=C(/N)Cc1ccccc1Cl 78696005 ZHXCHAWYIKNMKX-UONOGXRCSA-N 371.868 3.538 30 40 FHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 223053244 BESYKDKVUZGDQK-NRFANRHFSA-N 364.489 3.729 30 40 FHEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCCOc1ccccc1Cl 46085222 GTQRQMYWPJORSU-SILNSSARSA-N 365.216 3.987 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)COC)cc1 225656251 ZXLUHYLSZXMKSA-HKBOAZHASA-N 369.486 3.654 30 40 FHEB CC(=O)N1CCC2(CC1)C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc12 96156832 RSBVPLZMWHGESW-HXUWFJFHSA-N 373.456 3.564 30 40 FHEB C=CCN(C(=O)c1coc(-c2cccnc2)n1)c1nc2c(s1)CCCC2 585106360 VMBAJTFQXOLOHZ-UHFFFAOYSA-N 366.446 3.905 30 40 FHEB COc1ccc(N/N=C2/C(=N)N(c3ccc(C)cc3)N=C2C)cc1OC 7168312 JHOJCMKCXWRKCC-SMQOAZLNSA-N 351.410 3.653 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C/c1ccccc1O 4322563 POEFVJPSRJUCHZ-CNHKJKLMSA-N 370.243 3.673 30 40 FHEB COc1ccc(C(=O)O/N=C2\CCCc3c2ccc(OC)c3C)cc1OC 5361021 SRCCABZIECOTDH-OQKWZONESA-N 369.417 3.918 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102577826 YEPHVBYZWSGFCC-GOSISDBHSA-N 357.413 3.730 30 40 FHEB COc1ccc(Nc2oc(COc3ccc(OC)cc3)nc2C#N)cc1 646631 SRKAWZRPVROWFZ-UHFFFAOYSA-N 351.362 3.886 30 40 FHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@@H]1c1ccccc1 5347056 DAMQWNHUFUPKJX-QGZVFWFLSA-N 372.384 3.772 30 40 FHEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1ccccn1)[C@H]1CCCN21 5689860 LVBJAXYKDWSGLN-IRLDBZIGSA-N 355.445 3.562 30 40 FHEB C=CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)SC1=S 113830930 YAMGOPCPDUXOJN-XYOKQWHBSA-N 355.868 3.744 30 40 FHEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC[C@@H](C)C1 225855480 OFEBCWNMHLQMDV-VLIAUNLRSA-N 358.438 3.798 30 40 FHEB C[C@@H]1c2nnc(C3CCCC3)n2CCN1/C(O)=N/[C@@H](C1CC1)C(F)(F)F 329586436 WVCCIRMOJUNUTB-MFKMUULPSA-N 371.407 3.567 30 40 FHEB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 36866412 FWGUIYIJIHCDTA-HNNXBMFYSA-N 350.418 3.525 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)o1 5814032 UVBVCLCPDAMADK-UHFFFAOYSA-N 360.782 3.585 30 40 FHEB C=CCc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c(OC)c1 12603578 DTPKBGCAUZKDNS-KRWDZBQOSA-N 352.434 3.522 30 40 FHEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(C[C@@H](C)CC1=O)N2 19959568 ASAMBBYHVUAXDZ-PIGZYNQJSA-N 370.478 3.667 30 40 FHEB N#CCN(Cc1ccccc1)C(=O)Cc1csc(Cc2ccccc2)n1 40155093 ASZUGCOTWDGTRR-UHFFFAOYSA-N 361.470 3.829 30 40 FHEB CCOc1cc(/C=N/c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O 681001 QZQJIXKIENZQGL-AUEPDCJTSA-N 366.339 3.719 30 40 FHEB N#Cc1cc2ccccc2nc1SCC(=O)N1CCc2ccccc2C1 1331059 JTMHKHGASFNKMH-UHFFFAOYSA-N 359.454 3.783 30 40 FHEB C=CCc1cccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)c1O 1478114 KRRCRWDNHAYMLG-UDWIEESQSA-N 366.446 3.933 30 40 FHEB Cc1nc(-c2cccs2)sc1/C(O)=N/c1nc(C(F)(F)F)n[nH]1 36714238 ZUBRMCSUXHVSTQ-UHFFFAOYSA-N 359.358 3.953 30 40 FHEB Cc1cc(C)c(/C=C/C(=O)OCC(=O)Nc2sccc2C#N)cc1C 46465290 RTXNRXXRIDDDPA-SNAWJCMRSA-N 354.431 3.740 30 40 FHEB CC(=O)Nc1ccc(OC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 95349826 JSLCAWJXTQAPQP-UHFFFAOYSA-N 369.446 3.535 30 40 FHEB C=CCOC(=O)c1ccc(-c2ccc(I)cc2)o1 216768720 CHFDRQYHMYADOG-UHFFFAOYSA-N 354.143 3.894 30 40 FHEB CC1(C)OB([C@@H]2CCN(Cc3cccc(OC(F)F)c3)C2)OC1(C)C 1776007768 WMLMGBBANZBCLN-CQSZACIVSA-N 353.218 3.956 30 40 FHEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OC(F)F 3320829 VSWYELQPZFVPPO-DJKKODMXSA-N 352.293 3.756 30 40 FHEB CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 4327515 MGOBKWAROVUNBE-MRXNPFEDSA-N 366.465 3.865 30 40 FHEB COCc1cc(C)nc(N/N=C/c2cccc(Br)c2)c1C#N 4750626 PEWITYRUXVQZEA-DJKKODMXSA-N 359.227 3.617 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5559317 XCYHZNZLVLQCAT-INIZCTEOSA-N 371.780 3.759 30 40 FHEB N#CCc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 8127108 MKEDQMNCHSTJMJ-UHFFFAOYSA-N 350.353 3.513 30 40 FHEB O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc([N+](=O)[O-])cc1 28294281 JBERCQKCXNTOOZ-CQSZACIVSA-N 361.810 3.710 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccccc1)n1ncnc1N2 28464428 GUAFLLGHXZSNPN-OAQYLSRUSA-N 372.428 3.879 30 40 FHEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)NCc1cccs1 90610478 MKPUCCDUYRWOPP-UHFFFAOYSA-N 368.380 3.649 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101081381 SZUXHYIDXWMGHZ-JOCLTSDHSA-N 371.300 3.540 30 40 FHEB CC/N=C1\S/C(=C\c2ccc(OC)c(Br)c2)C(=O)N1CC 408856898 LWVBFMKNDOKRRB-VYFZMYBASA-N 369.284 3.770 30 40 FHEB COc1cc(/C=N/O)c(Br)cc1OCc1ccccc1F 409086972 SHWAXOUCJOBQAH-QGMBQPNBSA-N 354.175 3.984 30 40 FHEB Fc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1N1CCOCC1 409148250 PEVKCYYURWJQLA-RMORIDSASA-N 368.334 3.522 30 40 FHEB C=CCc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)oc12 841025 KYFMFDSYOJAGIR-UHFFFAOYSA-N 350.330 3.682 30 40 FHEB COc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)c(OC)c1OC 1478054 LMYJIBGEKYFRCA-ODLFYWEKSA-N 370.434 3.516 30 40 FHEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872831 SSXLGZBOPGGONP-GFCCVEGCSA-N 367.478 3.544 30 40 FHEB Cc1ccc([C@H]2CC(=O)C(/C=N/Nc3nc(C)cc(C)n3)=C(O)C2)cc1 9108800 FROSMJKAGSMFCP-BTZNOAQDSA-N 350.422 3.758 30 40 FHEB Cc1cccc(N2N=C(/C(O)=N/c3nnc(C(C)C)s3)CCC2=O)c1 21669676 LRQUVTOZPKYIIH-UHFFFAOYSA-N 357.439 3.741 30 40 FHEB Cc1ccc2c(c1C)N(CCCOc1ccccc1Cl)C(=O)/C2=N\O 46084648 FNFJYDVAJGZUHW-FXBPSFAMSA-N 358.825 3.951 30 40 FHEB O=C(CC/C(O)=N/c1nc(-c2ccccn2)n[nH]1)c1ccc2c(c1)CCC2 47342881 QHBYVUCCPXONDO-UHFFFAOYSA-N 361.405 3.607 30 40 FHEB CCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)s1 48496516 NWAXJGCATMQHBM-UHFFFAOYSA-N 358.872 3.751 30 40 FHEB N#CC1CCN(C(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 58210244 SRRGMCZDGPYQBI-UHFFFAOYSA-N 363.461 3.849 30 40 FHEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)C1(c2ccc(F)cc2)CCC1 66867287 BBYBOVYSYZOPFT-SFHVURJKSA-N 374.419 3.919 30 40 FHEB NC1=N/C(=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 100431895 OLVORKOOPWSYGY-UHFFFAOYSA-N 353.838 3.956 30 40 FHEB CCOC(=O)c1oc2c(c1C)/C(=N\Nc1ccc([N+](=O)[O-])cc1)CCC2 100731542 RXMNXFORZCWSCL-ZHZULCJRSA-N 357.366 3.825 30 40 FHEB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 4628790 QAGUHPZMIFAYBW-BNOWGMLFSA-N 360.479 3.964 30 40 FHEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 4909600 GWKGJNDKCUCJBS-QAEBVTEASA-N 355.438 3.988 30 40 FHEB COCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccccc1 5879643 SIPQXQXMNOSSRL-YWKYIXQJSA-N 354.431 3.643 30 40 FHEB CC1=NN(c2ccc(C)cc2)C(=N)/C1=N\Nc1ccc(Cl)cc1C(=O)O 7167356 FOXMEXPQJIQKSU-CWOJTYOFSA-N 369.812 3.988 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 7836154 YUIWOCAUQCTOBC-OAHLLOKOSA-N 364.445 3.702 30 40 FHEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc2c(c1)Cc1ccccc1-2 8286057 QZVJRDXAAKWWCZ-TTXZLZEXSA-N 365.502 3.625 30 40 FHEB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 9199046 ZKPLXEWQQNFBLV-UHFFFAOYSA-N 364.430 3.571 30 40 FHEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(C#N)c1 10516517 WSPHFDXEMGMDOU-UHFFFAOYSA-N 369.428 3.942 30 40 FHEB C=CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 12349034 PYDISDHXFQZNDA-SFHVURJKSA-N 350.422 3.501 30 40 FHEB CC1=C(/C=C/C(C)=N/Nc2ccc(S(N)(=O)=O)cn2)C(C)(C)CCC1 46098646 NOIGAWVAAXULQK-PRTVPTKRSA-N 362.499 3.600 30 40 FHEB CC[C@@H](C)[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 57304390 IVYQHLLPLZTLRC-KGLIPLIRSA-N 370.453 3.573 30 40 FHEB C#CCOc1ccccc1CNC(=O)Nc1ccnn1C1CCCCC1 72285296 CLIXQUUXAOPQNR-UHFFFAOYSA-N 352.438 3.722 30 40 FHEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(SC)cc1 224982562 CDYHKTMYZCRNHQ-UHFFFAOYSA-N 363.460 3.519 30 40 FHEB CC(C)CCn1ncc(N=C(O)N2CCCC[C@@H]2c2nc[nH]n2)c1C(C)C 330187461 SYWVAFFCBGBQGZ-MRXNPFEDSA-N 373.505 3.943 30 40 FHEB CC(=O)c1cnc2c(C#N)c(-c3ccc(Br)cc3)nn2c1C 408922152 NRBWMUXTARJTKU-UHFFFAOYSA-N 355.195 3.542 30 40 FHEB COC(=O)c1ccc(Oc2nc(C#N)cc(-c3ccc(OC)cc3)n2)cc1 2210122 UHNYWLZBPSOZBM-UHFFFAOYSA-N 361.357 3.603 30 40 FHEB O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccccc1 4537244 KZIVHEADLFJBOP-UKKZPSIRSA-N 363.442 3.546 30 40 FHEB COCCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 5937161 MCQAZCVZKDTTFM-INIZCTEOSA-N 359.882 3.928 30 40 FHEB C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2c(s1)CCCC2 6309924 ITRHXEBFOKCQFU-UHFFFAOYSA-N 358.463 3.872 30 40 FHEB COC(=O)COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196986 VVTARSLEOMRQKL-AWQFTUOYSA-N 367.232 3.669 30 40 FHEB Cc1ccccc1-n1c(C)nnc1SCCOc1ccc(C#N)cc1 10346942 BRNOUTDKTOTHOK-UHFFFAOYSA-N 350.447 3.927 30 40 FHEB C=CCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1 15356955 WSRDNOHXKVILDI-UHFFFAOYSA-N 355.829 3.704 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2O)C[C@H]1c1ccc(OC)cc1 34600536 DXKGQBZQPLPKPY-RXVVDRJESA-N 366.413 3.720 30 40 FHEB Cc1csc([C@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 78992817 RCAANTLRYVNFGW-LBPRGKRZSA-N 367.396 3.882 30 40 FHEB Cc1nc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)ccc1C#N 96001217 FIJNBTJVDTZVNB-MRXNPFEDSA-N 353.426 3.526 30 40 FHEB C#CCCCCCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 96001669 GMOFSGQPUYXVMJ-UHFFFAOYSA-N 352.478 3.654 30 40 FHEB C[C@]12CN(C(=O)c3ccccc3Br)[C@]3(C#N)C[C@@H]1CC[C@@]23C 100920917 CVHMQGJZIHCCGG-JUKXBJQTSA-N 359.267 3.994 30 40 FHEB COc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 103608770 HHQNAWZBKGNJDO-UFWORHAWSA-N 369.204 3.828 30 40 FHEB Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c1C#N 245237508 LHYHHWZUYMUFST-KFNAQCHYSA-N 358.511 3.710 30 40 FHEB N#Cc1cc2cccnc2nc1N[C@@H](CO)c1cccc(C(F)(F)F)c1 1187315355 JSJUTNRBDINVEM-HNNXBMFYSA-N 358.323 3.666 30 40 FHEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@@H](C(C)(C)OC(C)=O)C3 898340 AWMHMGFGCLBSAY-GOSISDBHSA-N 356.418 3.902 30 40 FHEB endogenous,in-man O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccccc1 2240228 XGHRRSWFWLPVEM-UHFFFAOYSA-N 350.399 3.689 30 40 FHEB O=C1C(SCc2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21 3202665 XFULQOSEPCANFN-UHFFFAOYSA-N 365.454 3.543 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C#N)cc2)NC(=O)N1 6378323 YRBJVKUCTKBJQC-KRWDZBQOSA-N 351.793 3.722 30 40 FHEB Oc1ccc(/C=N/Nc2nnc(SCc3ccc(Cl)cc3)[nH]2)cc1 20457951 LCWKXCIHDKZBOC-GIJQJNRQSA-N 359.842 3.902 30 40 FHEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)OCO4)s2)cc1 24990486 OVSIYNQZOPDRNN-UHFFFAOYSA-N 363.398 3.587 30 40 FHEB CCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 58712888 LYLIAUAGKBYQNZ-CQSZACIVSA-N 366.417 3.561 30 40 FHEB COc1ccccc1OCC(=O)Nc1ccccc1SC[C@H](C)C#N 65453439 CYROFGLYZLWCTH-CQSZACIVSA-N 356.447 3.964 30 40 FHEB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)CC1(C#N)CCCCC1 95942004 ICSSDRPGZHXZDQ-OAHLLOKOSA-N 352.525 3.861 30 40 FHEB Oc1ccc(-c2cs/c(=N/C3CC3)n2/N=C/c2ccccc2)c(O)c1 102836285 ANVHXPOSGHVYEK-UCLIPEMJSA-N 351.431 3.573 30 40 FHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223480067 LFRNEQUJMNLFKI-NRFANRHFSA-N 368.452 3.998 30 40 FHEB O=S(=O)(c1ccc(/N=C/c2ccco2)cc1)N1CCc2ccccc2C1 408730951 WWUZUDXCFAPXAD-KGENOOAVSA-N 366.442 3.777 30 40 FHEB Cc1nc([C@@H](C#N)c2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1 1345210 QAIOEVJUALJVID-INIZCTEOSA-N 374.835 3.887 30 40 FHEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(C)nc4c32)cc1 5345394 QUEYDGFCGDVCKR-KRWDZBQOSA-N 374.444 3.909 30 40 FHEB COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccc(C)cc1)N(C)CC3)OCO2 6029540 MVDDOMAAIMLAQN-DBZAVIBRSA-N 368.433 3.530 30 40 FHEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 6576966 LUDYOKCZETWCOX-FDFHNCONSA-N 367.445 3.987 30 40 FHEB Cc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCC2)s1 6650331 HENKPAWCRBRHSZ-UHFFFAOYSA-N 373.507 3.635 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 9420635 QIRACBCSBVYVCM-ODLFYWEKSA-N 368.385 3.643 30 40 FHEB biogenic CC[C@@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 48344371 SUHYLVAIKLVIKW-OAHLLOKOSA-N 350.418 3.793 30 40 FHEB CCN(CC)c1ccc(NC(=O)[C@H](C#N)c2nc3ccccc3s2)cn1 58166128 PYUPNTWIJJPTFE-AWEZNQCLSA-N 365.462 3.783 30 40 FHEB N#CC1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 58419516 VWWMGEMHJPVYCT-UHFFFAOYSA-N 362.520 3.696 30 40 FHEB N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](c2noc(C3CC3)n2)C1 95406121 FQQRAINLXXHMQA-LBPRGKRZSA-N 363.343 3.616 30 40 FHEB N#Cc1ccc(NS(=O)(=O)c2cccc(COc3ccccc3)c2)cc1 96182574 DZWIRRMZNRTZCX-UHFFFAOYSA-N 364.426 3.938 30 40 FHEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCOc1ccccc1Cl 101102018 CPFHCVUEMQECFW-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB N#Cc1cccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)c1 217879354 PGLOBFCLDAIGNT-UHFFFAOYSA-N 362.458 3.791 30 40 FHEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCC(C)CC1 225857121 CBQMDJLZHCXJBF-UHFFFAOYSA-N 358.438 3.798 30 40 FHEB COc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1Cl 409223474 ZQAGHNRKFMZUPC-JZOCJUILSA-N 363.797 3.960 30 40 FHEB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@@]1(c1ccccc1)[N+](=O)[O-] 2159173 HFYDFNXJRQJRDP-NRFANRHFSA-N 358.353 3.720 30 40 FHEB C=CCN(Cc1ccccc1)C(=O)c1sc(-c2ncccn2)nc1C 55277570 KUELSHZRMQDWNJ-UHFFFAOYSA-N 350.447 3.737 30 40 FHEB N#CC1(C#N)[C@@H](c2cccc(F)c2)O[C@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 102717397 GVGVMAUFZVITNQ-SMOSDQRPSA-N 364.380 3.725 30 40 FHEB CCSc1ccccc1C(=O)OCC(=O)NC1(C#N)CCCCCC1 13004600 VYGSNSCLFSXIPM-UHFFFAOYSA-N 360.479 3.688 30 40 FHEB CC(C)c1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1CCCC2 13722101 VXBZNHHTZZHQJK-UHFFFAOYSA-N 363.461 3.651 30 40 FHEB Cc1nn(-c2ccccc2)c(C)c1CN(C)c1ccc([N+](=O)[O-])cc1C#N 8204855 QVIFTDIWFCIWIR-UHFFFAOYSA-N 361.405 3.905 30 40 FHEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968516 ZYWNAPZFHQFHMU-WSDLNYQXSA-N 371.437 3.631 30 40 FHEB CCCCCCCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 408560174 CKRKCBRSIIDQSY-LBPRGKRZSA-N 367.544 3.904 30 40 FHEB Cc1cc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2cc1C 34791569 RVRRHVXQNAJMHQ-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB C[C@@H]1CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 33691479 LWHTZJIOBCVPPM-NSHDSACASA-N 373.806 3.759 30 40 FHEB Cc1cccc(COc2nn(Cc3ccccc3Cl)c(N)c2C#N)c1 225839628 BVAGZEFXTCGGRW-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888125 OJPWPGWFZZCLLE-UHFFFAOYSA-N 358.463 3.643 30 40 FHEB CC(C)OC(=O)c1ncc(Br)cc1C/N=C(/O)OC(C)(C)C 328578401 KKRZVRBLFWOVOF-UHFFFAOYSA-N 373.247 3.638 30 40 FHEB O/C(Cn1ccc2cc(Br)ccc21)=N\c1nc(C2CC2)n[nH]1 95474715 CWHVOHUKTWVMCP-UHFFFAOYSA-N 360.215 3.688 30 40 FHEB C#CCCC1(CCC(=O)N[C@H](CC2CCCCC2)c2ncccn2)N=N1 1615613368 TULNINSLROQALT-QGZVFWFLSA-N 353.470 3.960 30 40 FHEB COc1cc(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1O 16194971 WMAJWYDNMWUTLX-PXNMLYILSA-N 366.171 3.518 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc(I)cc2)c(F)c1 408620590 HODASDJJIWFZLL-UHFFFAOYSA-N 366.133 3.554 30 40 FHEB N#C[C@H](C(=O)CCc1ccc(F)cc1)c1nc(O)c2ccc(Cl)cc2n1 40150583 LWFLPCUTRQYIBG-OAHLLOKOSA-N 369.783 3.937 30 40 FHEB C=CC[C@]1(C#N)C(S)=NC(C)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 6763801 DBEONQBTUKNBMO-FUHWJXTLSA-N 355.419 3.969 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504566 BFGNQQLSJQWZGL-UHFFFAOYSA-N 363.461 3.845 30 40 FHEB COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2328122 LFYQWIAMDUHOJN-UFFVCSGVSA-N 366.808 3.730 30 40 FHEB CCCCCCCCCCOC(=O)CCN[C@@H](CCSC)C(=O)O 103007076 ADONMAVBEZCYLV-INIZCTEOSA-N 361.548 3.856 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 3535159 OCNIHDCSCOSJSR-NRFANRHFSA-N 366.417 3.690 30 40 FHEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccc2O)C1=O 15946401 PRCJRVAFCZPZTE-QBFSEMIESA-N 363.369 3.692 30 40 FHEB CCc1cc(C#N)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 95364931 DBQLKUJDEYTCRW-GFCCVEGCSA-N 373.865 3.827 30 40 FHEB N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccccc2[N+](=O)[O-])cc1 43243451 YJEQWABXGJFQGS-UHFFFAOYSA-N 363.295 3.671 30 40 FHEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCCOc1ccccc1Cl 46084693 YQHLRIILMXAWPX-HKWRFOASSA-N 365.216 3.987 30 40 FHEB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)CC#N)cs2)cc1 225252054 JBNWDEPLMQEJTI-MHWRWJLKSA-N 372.475 3.683 30 40 FHEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 4403983 SUFJHQFIKDZJAJ-VQHCNBGJSA-N 372.505 3.979 30 40 FHEB COc1ccc(CC/N=C(/S)NCCc2c[nH]c3ccccc23)cc1 13684818 NZPJCBWBZFOEEK-UHFFFAOYSA-N 353.491 3.837 30 40 FHEB COc1ccc(C(=O)O/N=C2\CCCc3cc(O)c(C)cc32)cc1[N+](=O)[O-] 4481827 PPCAYVQCOSVMJB-HMMYKYKNSA-N 370.361 3.515 30 40 FHEB C=CC[C@@H]1S/C(=N\N=C\c2ccc(OCc3ccccc3)cc2)NC1=O 8336944 SCGSWNHBPLTURS-LANLRWRYSA-N 365.458 3.763 30 40 FHEB CCOc1ccccc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 20171905 URTWBKXLPPUMHF-XQNSMLJCSA-N 351.494 3.854 30 40 FHEB CCCCCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 20533547 LVFKNMLXQWWKDM-UHFFFAOYSA-N 371.458 3.991 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 852325 KLRXIUIRVCCKFE-SFHVURJKSA-N 355.821 3.867 30 40 FHEB Cn1c([C@@H](C#N)C(=O)c2ccccc2Br)nc2ccccc21 1041948 GDBJHOUZVNOFOS-LBPRGKRZSA-N 354.207 3.826 30 40 FHEB Cc1cc(C)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c1C#N 7615861 BYMVOTJWVBXOPN-UHFFFAOYSA-N 373.412 3.768 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccccc2)n1 8074824 VQVFITLBCAZXPU-UHFFFAOYSA-N 358.854 3.811 30 40 FHEB CC1=C[C@H](C)[C@@H](/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)[C@H](C)C1 8743546 NCQAORGGTQHOSV-JAJYJAKESA-N 364.449 3.964 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 9361191 DCOSWCVEFAJWSB-VLIAUNLRSA-N 360.392 3.833 30 40 FHEB Cc1ccc(Sc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)cc1C 14143701 PXYCHUUKDOYLJZ-UHFFFAOYSA-N 363.446 3.557 30 40 FHEB CC1=CC(=O)C(C(C)C)=C/C1=N\OS(=O)(=O)c1ccc(Cl)cc1 16779871 CIKCYSYRBFMXEG-OBGWFSINSA-N 353.827 3.513 30 40 FHEB COc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C)o2)n1 58246020 XFOHUKUMHLRFIM-UHFFFAOYSA-N 353.403 3.773 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([N+](=O)[O-])cc1F 63446878 AHUCRWJUGAZMCB-UHFFFAOYSA-N 354.297 3.550 30 40 FHEB CCN(C(=O)[C@@H](C)N(C)C/C(O)=N/c1cccc(F)c1)C1CCCCC1 82071270 LKFBPJQPQADXBK-OAHLLOKOSA-N 363.477 3.915 30 40 FHEB Cn1c(N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)nc2ccccc21 408669150 WXBKHBYSSHKCRK-CIAFOILYSA-N 360.373 3.978 30 40 FHEB O=[N+]([O-])c1ccc(O)c(/C=N\c2cccc(I)c2)c1 409094193 CVUGJPXGLFVMCR-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 409105876 JNBRTSBPFOKRTD-LFIBNONCSA-N 369.398 3.956 30 40 FHEB Cc1ccc(C)c2[nH]c(=O)c(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)cc12 883080 NKVXSNWZHKZFIJ-HNNXBMFYSA-N 363.392 3.605 30 40 FHEB N#Cc1cc(Oc2ccc(C=O)cc2)c(-n2nnc3ccccc32)cc1C#N 1107677 OJJZODKCEJKBNB-UHFFFAOYSA-N 365.352 3.769 30 40 FHEB N#CCCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1 2624350 SPJOEDKJLJHSOK-UHFFFAOYSA-N 370.459 3.837 30 40 FHEB C=CCNC(=S)/C(=C(/O)c1ccc(OC(F)F)cc1)[n+]1ccccc1 12655426 YSRGQRVMKCGGEW-UHFFFAOYSA-O 363.409 3.562 30 40 FHEB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 13139766 CLANNKVTZCMZTB-GASCZTMLSA-N 356.495 3.547 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 20036447 NMKRTUNGKYRWPO-MRXNPFEDSA-N 352.434 3.625 30 40 FHEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 21596412 ITGYBRVIGIWOSP-UHFFFAOYSA-N 355.488 3.798 30 40 FHEB N#Cc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1 150309905 AHBRLGAFMUOESP-NVMNQCDNSA-N 359.410 3.885 30 40 FHEB CCOC[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218424649 MUIJAPLNNCMAGK-HKBOAZHASA-N 369.486 3.735 30 40 FHEB O=C(O)c1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 409239708 IOUDGMSSLNLTKB-XDHOZWIPSA-N 350.334 3.530 30 40 FHEB COCCOc1cccc(-c2noc(CSc3ccc(C#N)cc3)n2)c1 545665992 XROBHNDKQUFWSK-UHFFFAOYSA-N 367.430 3.926 30 40 FHEB Cc1ccc(C)c2nc(SCC(=O)NCc3ccco3)c(C#N)cc12 1354276 CLTQVEUSSWCOLB-UHFFFAOYSA-N 351.431 3.725 30 40 FHEB C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 43740504 QPAWKFRFRXVAJB-UHFFFAOYSA-N 372.852 3.994 30 40 FHEB CCc1ccc(C2=NN/C(=N\c3cccc(NC(C)=O)c3)SC2)cc1 26144815 SRCILHYDKTZDRH-UHFFFAOYSA-N 352.463 3.936 30 40 FHEB Cn1cccc1/C=C1/S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O 2419909 BRHSBBGXEPHUSG-UKTHLTGXSA-N 351.353 3.936 30 40 FHEB Cc1nc(-c2ccc(CNC(=O)COc3ccc(C#N)cc3)s2)cs1 7820796 COISPZNAQGUIOO-UHFFFAOYSA-N 369.471 3.747 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c(C)c1 8410564 SELFGWBGKYMBHU-MSUUIHNZSA-N 363.442 3.542 30 40 FHEB C/C(=N\OCC(=O)N(C)C1CCCCCCC1)c1ccc2c(c1)OCO2 98055689 QQTXPGHCHHNGNJ-RCCKNPSSSA-N 360.454 3.727 30 40 FHEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)ccc1O[C@H](C)C(=O)O 409021185 YUOOVMRYAQKWPZ-AINDZBIGSA-N 358.350 3.514 30 40 FHEB CC(C)(C)C1=CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N[C@@H](S)N1 31829883 BVDFOKKUVTWZAG-MRXNPFEDSA-N 362.455 3.501 30 40 FHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1 218612210 BDZVSWXPAQYQSM-CEXWTWQISA-N 373.861 3.551 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(N(C)C)cc1 4821542 VUXJHYQFPWFCAW-XLIONFOSSA-N 353.418 3.665 30 40 FHEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2c1C 4849120 NMDMJDOHCFZCNL-UHFFFAOYSA-N 354.460 3.911 30 40 FHEB C[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 4955827 HGWFUJJHSWCXAE-WCFOROSUSA-N 366.490 3.607 30 40 FHEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCC(C)C)cc1 6307965 FYTAGSDYCGSRMV-SFHVURJKSA-N 374.506 3.634 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)c3cnn(-c4ccccc4)n3)c2C#N)C1 7717883 POAHJSJSFSEWMB-LBPRGKRZSA-N 363.446 3.578 30 40 FHEB CC(C)(C1=CC(=O)c2ccccc2C1=O)C1OCC2(CO1)C[C@H]1C=C[C@@H]2C1 8816139 TTZJTCPHAMSKFF-ZQQMMGLGSA-N 364.441 3.974 30 40 FHEB Cc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165030 QCWAXUZXDUVBQP-RFAUZJTJSA-N 362.355 3.873 30 40 FHEB CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 17206004 HEXHXAKNHAEIKN-UHFFFAOYSA-O 364.444 3.729 30 40 FHEB CCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Oc3ccccc3)cc2)n1 20503073 WYPFDDVKTYZYNW-UHFFFAOYSA-N 363.421 3.573 30 40 FHEB Cc1sc(NC(=O)c2cccnc2OCC(F)(F)F)c(C#N)c1C 32796790 ORSDGWFIMVORCR-UHFFFAOYSA-N 355.341 3.825 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 35351900 ARLAOQRYFNFFCZ-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB CCCC(=O)C1=C(c2ccccc2)N(C(=O)CCC)n2c(C)nnc2S1 4518263 QWVHOCSXSNBEGX-UHFFFAOYSA-N 370.478 3.695 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 13995767 UDVSUPSHKCHBKW-GOSISDBHSA-N 352.434 3.707 30 40 FHEB CC(C)c1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 20636055 NRDNTMBDNZRUCO-UHFFFAOYSA-N 356.227 3.736 30 40 FHEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 51366809 GWKGJNDKCUCJBS-WNSZDWCQSA-N 355.438 3.988 30 40 FHEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 72322093 DKTVJFFSRSQAPE-FQEVSTJZSA-N 362.408 3.661 30 40 FHEB biogenic,in-vitro CCCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OCC 96193673 LKLKBYNPNIZTIX-GHXNOFRVSA-N 368.227 3.953 30 40 FHEB Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C4CC4)ccc3C#N)C2=O)cc1 100583462 PGSIDRWXJUSZHW-QGZVFWFLSA-N 363.442 3.563 30 40 FHEB COC(=O)COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408932898 FPIMFNSDVCABLJ-FBHDLOMBSA-N 352.312 3.703 30 40 FHEB CCOc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 409066392 ONJIXNRFHUBXEJ-IFRROFPPSA-N 370.287 3.559 30 40 FHEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)CC)cc2)c1O 5614552 RKXMYLKTWKONMA-YBFXNURJSA-N 357.366 3.798 30 40 FHEB N#CCn1c(CNc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 7382922 WZONINFIXRAOQA-UHFFFAOYSA-N 368.437 3.612 30 40 FHEB CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1 8214591 UGJWZYARKOFRDB-UHFFFAOYSA-O 363.522 3.554 30 40 FHEB world CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@@H](C)C(=O)OC)cc1)C2=O 8823713 LGSCXLBKSPHQMC-JFENUBAZSA-N 368.385 3.642 30 40 FHEB CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)OC)ccc2C1=O 9575473 MWQPBHGEOBWTLI-LPXFMOJISA-N 368.385 3.642 30 40 FHEB C=CCn1c(C)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 12868633 ZUNPLPVTAPKING-KRWDZBQOSA-N 374.510 3.720 30 40 FHEB N#Cc1c(NC(=O)COC(=O)CCc2ccco2)sc2c1CCCCC2 24981870 CPYWAIVNTLXOIW-UHFFFAOYSA-N 372.446 3.596 30 40 FHEB CN(C)/C=N\C(=S)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 29763543 ZRJIKZNBWMZSSW-ZBKNUEDVSA-N 360.792 3.810 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C 57996467 TYDXTMFYZSRNGV-DIFFPNOSSA-N 364.902 3.762 30 40 FHEB Cc1cn2c(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)c(C)nc2s1 58381589 XGCHCQMCZKHDMT-BQYQJAHWSA-N 367.474 3.745 30 40 FHEB CC#CCN(Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585261329 JLPYMSCSADXRPQ-WXFUMESZSA-N 362.517 3.536 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O 981928 SBWABEALMCRVCO-UKTHLTGXSA-N 353.827 3.970 30 40 FHEB C=CCc1ccccc1OCC(=O)Nc1ccc(C(=O)OCCC)cc1 1791483 UMVYXBXSPSZHMO-UHFFFAOYSA-N 353.418 3.999 30 40 FHEB Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2N2CCCC2)cc1 12565412 NIJBQGZLZZAXKB-MRXNPFEDSA-N 366.494 3.712 30 40 FHEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc2ncccc2c1 58297762 MEPKCTBVBQNJFB-HNNXBMFYSA-N 370.368 3.750 30 40 FHEB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 45034486 INRWUECPWDQWBI-LIRRHRJNSA-N 350.418 3.845 30 40 FHEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926596 JMYVEDXVIHUVFC-LLQANNADSA-N 357.538 3.898 30 40 FHEB N#Cc1ccsc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 29299814 QIAPRTHVENLCPK-UHFFFAOYSA-N 350.325 3.627 30 40 FHEB C#CCN(Cc1ccco1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 63390205 GIAYETXUJBOBOL-UHFFFAOYSA-N 360.797 3.762 30 40 FHEB N#Cc1cc2c(nc1SCC(=O)Nc1nc3ccccc3s1)CCC2 13739369 KAOBLSOSHJTHHZ-UHFFFAOYSA-N 366.471 3.782 30 40 FHEB N#Cc1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCCCC2 6828854 AEPKYJYWCWCOQZ-UHFFFAOYSA-N 372.421 3.823 30 40 FHEB CCOc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408939465 MPRSGDVWBSIQMJ-VCHYOVAHSA-N 369.826 3.623 30 40 FHEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1 408788286 DOJGMXXAXUKGFB-JAIQZWGSSA-N 364.409 3.855 30 40 FHEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029298 YGYKYDCRHTUTIZ-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1coc(-c2ccccc2)n1 40159325 MHYAHPWLXDUNIA-RQZCQDPDSA-N 356.447 3.874 30 40 FHEB C=CCc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC 222692630 HAOPSFMXHVLJEC-AWEZNQCLSA-N 353.418 3.686 30 40 FHEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Cl)cc1Cl 96532139 CRGMHXSWRZGCHK-UHFFFAOYSA-N 361.275 3.969 30 40 FHEB Cc1c(-c2ccccc2)oc(=O)c(C#N)c1N1CCN(c2ccccc2)CC1 585145646 NYYDEMBJARONCT-UHFFFAOYSA-N 371.440 3.814 30 40 FHEB CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5002563 JGAAUYYCEGPTTO-LDADJPATSA-N 357.370 3.795 30 40 FHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1650321 OLFBCAHNOFQEPC-HYARGMPZSA-N 370.368 3.854 30 40 FHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)c(Cl)c1 5012153 OBXTVZPNVZDYET-UHFFFAOYSA-N 359.216 3.586 30 40 FHEB COc1cc(OC)cc(C(=O)O/N=C2\C[C@@H](C)Cc3cc(O)ccc32)c1 4474136 LZCWPEMJBLFAQC-AYOJFOFBSA-N 355.390 3.553 30 40 FHEB C#CCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543484 MHJQFURTGLTILH-MRXNPFEDSA-N 359.429 3.589 30 40 FHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 13654330 QFOQOJWPSGZFFX-CVCOPPNTSA-N 350.370 3.801 30 40 FHEB C/N=c1/scc(-c2ccc(OC)cc2OC)n1/N=C/c1ccc(C)o1 103461303 BHNCIYFZIWXTLV-KFAUUUOZSA-N 357.435 3.548 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 6654231 LUAOTVHKSNPFGF-MFKMUULPSA-N 374.487 3.671 30 40 FHEB N#Cc1cccc(OCC(=O)Nc2ccccc2OCC(F)(F)F)c1 25044691 RGKCSZHTIQOACK-UHFFFAOYSA-N 350.296 3.517 30 40 FHEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 25360186 LTSGXQXNYYLBQI-HXUWFJFHSA-N 351.425 3.909 30 40 FHEB N#CCN(C(=O)COc1ccc(Br)cc1F)c1ccccc1 21276167 STBQMFMSMBTDNU-UHFFFAOYSA-N 363.186 3.524 30 40 FHEB CCOc1ccccc1OCCCC(=O)N(C)Cc1cccc(C#N)c1 25102607 WTSMLXTZJQAEMD-UHFFFAOYSA-N 352.434 3.775 30 40 FHEB COc1cccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)c1OC 5100804 ZGUBICKOAUDOEQ-WJDWOHSUSA-N 354.431 3.904 30 40 FHEB NC(=S)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 5236842 KGBZFNHMMCGDOY-UFWORHAWSA-N 354.262 3.740 30 40 FHEB CCn1cc(-c2c(N)sc(NC(=O)c3ccccc3)c2C#N)c(C)n1 4742597 RWGVPKWCNFEIST-UHFFFAOYSA-N 351.435 3.646 30 40 FHEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(Cl)cc3)c3n2CCC3)cc1 17015746 BXJKJSDFTTUXDG-UHFFFAOYSA-O 366.872 3.989 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccc(C)cc1 32930866 HJRVIQYOINBHDH-UHFFFAOYSA-N 352.434 3.693 30 40 FHEB C[C@H]1CC[C@@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 95996099 GDIKYKHXTOMNAY-DZGCQCFKSA-N 369.421 3.754 30 40 FHEB C[C@H]1CCN(C(=O)COC(=O)c2ccc(C#N)cc2)c2ccccc2S1 5507039 ZADQWXBQUHLKDQ-AWEZNQCLSA-N 366.442 3.633 30 40 FHEB O=c1cc(/C(O)=N/c2nnc(Cc3ccccc3)s2)c2ccccc2[nH]1 16051106 HSPLHYCCINLMJK-UHFFFAOYSA-N 362.414 3.607 30 40 FHEB N#Cc1ccc(COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3260823 UOMGINPCGDBDKN-UHFFFAOYSA-N 371.392 3.911 30 40 FHEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cc1 969980 FTFJMVBDKXTHEH-INIZCTEOSA-N 370.478 3.667 30 40 FHEB C=CCNc1nnc(SCCC(=O)Nc2ccc3c(c2)CCC3)s1 32870964 WZZMKBZWCUJJGP-UHFFFAOYSA-N 360.508 3.746 30 40 FHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 2219401 CQRVAOVGELNQBP-KFNXNMOMSA-N 353.447 3.549 30 40 FHEB COc1cc(/C=N/n2cnnc2)ccc1OCc1c(F)cccc1Cl 5461216 OVKYBTWTYXNHQN-GZIVZEMBSA-N 360.776 3.540 30 40 FHEB CNC(=S)N/N=C(\C)c1ccc(Nc2nc3ccccc3s2)cc1 5693757 XRUOIODVQUGIKN-SRZZPIQSSA-N 355.492 3.858 30 40 FHEB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(C#N)cc1 8324215 BBPBTKNHDYZMTP-IBGZPJMESA-N 361.401 3.666 30 40 FHEB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C#N)c1)O[C@@H](C)C2 12564902 OGDZWQFACILHGL-UONOGXRCSA-N 365.433 3.719 30 40 FHEB N#Cc1cccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1 32609696 ZSKCPCXKXJSMRK-UHFFFAOYSA-N 354.772 3.848 30 40 FHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccccc2Cl)s1 32891698 JOTWKLAIHFRMPM-UHFFFAOYSA-N 372.859 3.504 30 40 FHEB CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366045 NURNUALDLDBKNZ-ACRUOGEOSA-N 357.388 3.942 30 40 FHEB N#C[C@@H](C(=O)c1ccc(F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 46706938 FRXQWXGYNZAUKL-ZDUSSCGKSA-N 367.405 3.905 30 40 FHEB CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc2cccnc12 76059530 JOVKUGDCMDYMIA-UHFFFAOYSA-N 366.446 3.729 30 40 FHEB CCn1cnnc1[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc23)C1 91627377 ROQKDLHKNBKWPK-CQSZACIVSA-N 364.428 3.549 30 40 FHEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2ncc(C#N)c2N1 101470878 SYGHDZGHBAQFOP-QGZVFWFLSA-N 361.430 3.744 30 40 FHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccccc3F)s2)C(=O)O1 102500439 QOFFQFORTBLQEZ-JHTBKMLMSA-N 356.374 3.782 30 40 FHEB Cc1ccc(-c2nsc(NC(=O)Cc3ccc(OCC#N)cc3)n2)s1 110276606 NMMRYZQXESKNPM-UHFFFAOYSA-N 370.459 3.659 30 40 FHEB C/N=C1/S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C(=O)N1C 408928376 ANVSVFRPOLALPA-VVKTXGKCSA-N 370.430 3.574 30 40 FHEB O=C(/C=C/c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 4610463 HDMHSGCTVDZECL-JXPSDAJQSA-N 369.420 3.894 30 40 FHEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 5161580 PRBIHIPJKDFIAH-KGENOOAVSA-N 352.463 3.969 30 40 FHEB N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)sc2c1CCC2 5628325 VRYPOKIZFPVDIW-UHFFFAOYSA-N 354.460 3.716 30 40 FHEB N#Cc1cc(NC(=O)c2cccs2)c(=O)n2c1sc1ccccc12 6785377 MEJBEKHQROPFGV-UHFFFAOYSA-N 351.412 3.700 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4cc(Cl)cc(Cl)c4)CC3=O)[nH]c2c1 8844104 AUZNJKNEICPTMZ-UHFFFAOYSA-N 373.243 3.895 30 40 FHEB C=CCC1(CC=C)CCN1C(=O)c1cc(-c2c(C)nn(CC)c2C)n[nH]1 12147550 MEZLLUWPGYZMLJ-UHFFFAOYSA-N 353.470 3.647 30 40 FHEB COc1ccc(Cc2nnc(SCc3ccc(C#N)cc3)o2)cc1OC 20759958 HKYHJPMSHOVQGK-UHFFFAOYSA-N 367.430 3.842 30 40 FHEB C=CCn1c(=O)n2nc(-c3ccncc3)nc2c2c(CC(C)C)csc21 31817396 BNJOBDLQVHOQFU-UHFFFAOYSA-N 365.462 3.552 30 40 FHEB Cc1ccccc1-n1c(C)nnc1SCCOc1cccc(C#N)c1 53286546 BZJVRUDLBVXGLJ-UHFFFAOYSA-N 350.447 3.927 30 40 FHEB Cc1nc(SCC(=O)OCc2ccc(C#N)cc2F)c(C#N)c(C)c1C 54155178 GWCZZMOKCOOBMI-UHFFFAOYSA-N 369.421 3.725 30 40 FHEB Cc1cccc2cc(/C=N/NS(=O)(=O)c3ccccc3)c(Cl)nc12 58633775 GUZNDFQUBUSCJO-YBFXNURJSA-N 359.838 3.509 30 40 FHEB CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 112264156 DOVSJEXORMUUSC-NAMSLIHLSA-N 361.445 3.501 30 40 FHEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)c1C 408966324 ZTMWOPSZWYQIPF-SXGWCWSVSA-N 369.402 3.809 30 40 FHEB Cn1cc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)c2ccccc21 1642407 QRSQPLAOVPDPAZ-UHFFFAOYSA-N 363.826 3.547 30 40 FHEB COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1959790 NDXHYCNMEAHEGY-LBPRGKRZSA-N 356.447 3.771 30 40 FHEB N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCCC2 4088507 JIUVSOYBEFOPCC-MRXNPFEDSA-N 354.431 3.667 30 40 FHEB C=CCn1c(C)nnc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 4936507 NLTBZZBNOLEKQJ-SNVBAGLBSA-N 361.496 3.541 30 40 FHEB COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1OC 6847203 XILWXLJREWGOKE-MHWRWJLKSA-N 358.394 3.735 30 40 FHEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(Br)cc1 7013363 BHUQHJVRFJYQEL-XDHOZWIPSA-N 362.296 3.837 30 40 FHEB C=CCOc1c(Cl)cc(CNCc2ccc(C(=O)O)cc2)cc1OC 7525115 CBMQJLXZXAHTTQ-UHFFFAOYSA-N 361.825 3.901 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C=C(C)CC(C)(C)C2)nc1 7785131 QRMVSUVASFTPIO-HMMYKYKNSA-N 364.515 3.646 30 40 FHEB C=CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 14164799 UKCAICXYSTZKFU-UHFFFAOYSA-N 358.401 3.904 30 40 FHEB Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 17945183 QDFUONQEBFMDOP-SFHVURJKSA-N 350.466 3.985 30 40 FHEB COc1cc(/C=N\Nc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 36129858 VXALRMIGDXRPDS-MFOYZWKCSA-N 358.379 3.668 30 40 FHEB CCN1CCC[C@H]1Cn1c(C)cc(/C=N/Nc2ccc(C(=O)O)cc2)c1C 36393619 OBSIQZQNHNJRBC-BOURKTIISA-N 368.481 3.733 30 40 FHEB C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1O 409012084 IYZZJJABLIANPH-SFQUDFHCSA-N 364.401 3.617 30 40 FHEB O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1cccnc1 2429894 DZSXEOSIELMLPY-QPEQYQDCSA-N 360.236 3.736 30 40 FHEB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 4702441 AKHMNMOMPXRKMO-CQSZACIVSA-N 353.809 3.512 30 40 FHEB Fc1ccc(N/N=C/Cc2nnnn2-c2ccc(Cl)c(Cl)c2)cc1 5944836 JDSHCSGBPRWRTB-UFWORHAWSA-N 365.199 3.749 30 40 FHEB N#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5959815 ONVCBQXNEQCRAV-QGZVFWFLSA-N 361.430 3.664 30 40 FHEB C[C@@H](OC(=O)C1=C(Nc2ccccc2)OCC1=O)c1ccccc1Cl 6654287 JTSLYNWADJSWQC-GFCCVEGCSA-N 357.793 3.867 30 40 FHEB Cc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1C 6979286 NKUPANQEWQLPPJ-LJQANCHMSA-N 356.495 3.636 30 40 FHEB C/C(=N\OCC(=O)Nc1c(C)cc(C)cc1C)c1ccc2c(c1)OCCO2 12528716 XZUCMCNLYSLBSE-XQNSMLJCSA-N 368.433 3.762 30 40 FHEB N#Cc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 12887235 JMMBKPLVHLVNCF-UHFFFAOYSA-N 357.816 3.954 30 40 FHEB N#Cc1c(OCC(=O)N2CCCC2)nc(-c2ccccc2)c2c1CCCC2 13689587 HPDUQNWUWKTVFQ-UHFFFAOYSA-N 361.445 3.500 30 40 FHEB COc1cc(CCC2CCN(C[C@H](C#N)CCC#N)CC2)cc(OC)c1 25307388 PACDXTMNYZFGGL-IBGZPJMESA-N 355.482 3.792 30 40 FHEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCC1CC1)C2 49171833 OQYMWESQKDOQRS-PMACEKPBSA-N 365.521 3.955 30 40 FHEB biogenic,in-vitro C=CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cccc(OC)c21 100909780 FJRJGIBCLTYVNK-MRCUWXFGSA-N 367.474 3.705 30 40 FHEB C[C@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 107445296 YJRVMIDXXXLGRA-NHIYIPSRSA-N 366.408 3.579 30 40 FHEB Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)o1 187947180 FMADGORZHXFGPZ-LBPRGKRZSA-N 372.494 3.627 30 40 FHEB COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408786193 GRCWPOPYBVOLNX-DEDYPNTBSA-N 370.430 3.517 30 40 FHEB CCCCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1 3325661 VKUREIXYEAJZBP-XSFVSMFZSA-N 360.479 3.795 30 40 FHEB Cc1ccc(/C=C2\S/C(=N\n3cnnc3)N(c3ccccc3)C2=O)cc1 5698439 PFUKITCBJOTLHX-BBBBUXBTSA-N 361.430 3.527 30 40 FHEB COc1ccc(/C=N/Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 7763202 BEJUYBDFQUTOPJ-DJKKODMXSA-N 353.403 3.993 30 40 FHEB CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 12797053 INLUWLFHKGZOAN-GFCCVEGCSA-N 358.442 3.786 30 40 FHEB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 22608373 VLOAVPZSDFKZFY-VFZGTOFNSA-N 360.870 3.921 30 40 FHEB COc1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 32905219 CCEJAVOJHJHNAC-UHFFFAOYSA-N 358.397 3.508 30 40 FHEB Sc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 35679002 WSLNNSRQRQVFGN-NGYBGAFCSA-N 369.233 3.928 30 40 FHEB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895399 NURNUALDLDBKNZ-NJDAHSKKSA-N 357.388 3.942 30 40 FHEB N#Cc1ccccc1Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 90610232 DZALHUTYUFOWIC-UHFFFAOYSA-N 370.368 3.854 30 40 FHEB C#C[C@]1(O)C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@@H](C)O)[C@]21C 118925603 RZPXETGGKJXNQJ-UJWSNDPISA-N 358.522 3.569 30 40 FHEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961637 CWIMWIHYUNWEDP-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB C=CCSc1nnc(NC(=O)c2ccc(Cn3ccnc3C)cc2)s1 225301119 XNDQHNFUSUTIOL-UHFFFAOYSA-N 371.491 3.622 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(c3)OCCO4)S2)cc1 408964025 FFUUVHYDIJALCZ-GZTJUZNOSA-N 352.415 3.658 30 40 FHEB CC(C)c1[nH]ccc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 586762346 YUCGMVOAJNWZDR-UHFFFAOYSA-N 373.460 3.520 30 40 FHEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2Cl)N=N1 1616033017 ZBLIYFYUECNNPW-AWEZNQCLSA-N 368.220 3.591 30 40 FHEB C#CCO[S@](=O)O[C@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 2038704 ZYHMJXZULPZUED-NXMSCROESA-N 350.480 3.919 30 40 FHEB in-vitro C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 2265370 UEWCKGKRVKIHNI-UHFFFAOYSA-N 373.459 3.579 30 40 FHEB COc1ccc([C@@H]2C[C@@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 4114497 QRSLYQPONMQITO-LXDRIQHSSA-N 370.445 3.510 30 40 FHEB COc1cc2nc(C)n(/N=C/c3ccc(C(C)C)cc3)c(=O)c2cc1OC 5100445 VWEOHEOSJQHSIE-WSDLNYQXSA-N 365.433 3.728 30 40 FHEB COc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl 7974731 PSVASXRSOZZZIY-UHFFFAOYSA-N 350.205 3.924 30 40 FHEB CCN(CC)c1ccc(/C=N/N=C(\S)NCc2ccc(OC)cc2)cc1 8691969 LNWZCAHWHXGGAY-PXLXIMEGSA-N 370.522 3.951 30 40 FHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 12032393 NIEDZLXXWIJTQE-LFIBNONCSA-N 369.402 3.885 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)C[C@@H](C(=O)O)c3ccccc3)c2C#N)C1 13255073 SBGIFQHBXFKOGP-SWLSCSKDSA-N 368.458 3.942 30 40 FHEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Br)cc1 40268047 ZKXPEWFTDPFPPG-INIZCTEOSA-N 369.222 3.539 30 40 FHEB N#Cc1cc(NCC(=O)N2CCCCCCC2)ccc1OCC(F)(F)F 55849755 DBMBQNGFHQDOMN-UHFFFAOYSA-N 369.387 3.704 30 40 FHEB COc1cc(CNC(=O)N2CCC(C#N)CC2)ccc1OCCC(C)C 57993259 LAAYNJXAARVLTJ-UHFFFAOYSA-N 359.470 3.565 30 40 FHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 102578163 SOTVCXIYJWBPPE-WOOAAIBNSA-N 365.429 3.917 30 40 FHEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2cccc(F)c2)c1N 225842101 AQGFRYKIBLSIJS-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB Cc1cccc2c1OC[C@@H](/N=C(/O)N1CCC(c3nccs3)CC1)C2 329625097 OKEWXMDFNACGNM-INIZCTEOSA-N 357.479 3.549 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 408532648 OKPIBZPMJNKZPD-DHDCSXOGSA-N 355.375 3.500 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409100341 UOLQMETXQWPIFM-LFIBNONCSA-N 369.398 3.956 30 40 FHEB C/C(C=Nn1c(C)nc2ccc(Br)cc2c1=O)=C\c1ccco1 409277531 AVVLDEADISRVQW-FYBWIROUSA-N 372.222 3.998 30 40 FHEB CCCOc1cc(Cl)c([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4503827 XZJBUYDXJRDQDN-KRWDZBQOSA-N 366.845 3.744 30 40 FHEB Cn1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cn1 58192191 KWBHSPYIFKFNGJ-BQYQJAHWSA-N 355.401 3.564 30 40 FHEB C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 13465898 LFGUOKSONBHVJF-PQFGKWTMSA-N 370.365 3.745 30 40 FHEB CCCCCN1C(=O)/C(=N\Nc2nncc3ccccc23)c2ccccc21 8472005 INRQKLHEJASIHE-NMWGTECJSA-N 359.433 3.983 30 40 FHEB COc1ccccc1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408856334 FUAPUIBRRFZTDH-BOPFTXTBSA-N 354.431 3.904 30 40 FHEB C=CCN1c2ccc(C(=O)NC(C)(C)C)cc2-c2ccccc2S1(=O)=O 33271871 IFLIYMLMBFEKBH-UHFFFAOYSA-N 370.474 3.577 30 40 FHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)OCO3 35315319 ZXUAKGZXLYIKST-UHFFFAOYSA-N 363.398 3.566 30 40 FHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223118311 YUINZJSVHCWFKR-HXUWFJFHSA-N 370.880 3.602 30 40 FHEB CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 96019696 YBQBLWYMTOXAKT-UHFFFAOYSA-N 366.531 3.532 30 40 FHEB CCOCC(C)(C)[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O 299888372 HCTZKPLQIGQRPR-WJTARPICSA-N 364.482 3.539 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 14396137 WQOMXNUOKGGBSV-UHFFFAOYSA-N 352.434 3.709 30 40 FHEB N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 2650010 HZCKFPVKFLKWJY-UHFFFAOYSA-N 374.371 3.946 30 40 FHEB COc1ccc(Nc2nc(C#N)c(C#N)nc2Nc2ccc(OC)cc2)cc1 24840013 FTVAAUHHHXMKPY-UHFFFAOYSA-N 372.388 3.724 30 40 FHEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc2c(c1)OCO2 3092387 VHADANNCHQAOQF-XMHGGMMESA-N 368.499 3.809 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(F)c1 1408941 WEKNMYZIDMXBTJ-UHFFFAOYSA-N 357.348 3.684 30 40 FHEB COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)c1ccccc1 36398111 UXUJLDYBAOWYSU-MRXNPFEDSA-N 352.434 3.646 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 3535303 IIQPGEIXXDAUSV-OAQYLSRUSA-N 350.418 3.565 30 40 FHEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OC(F)F)c([N+](=O)[O-])c1 5159158 WOTNFYJLDFEBAI-CAOOACKPSA-N 352.253 3.550 30 40 FHEB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1(C#N)CCCCC1 7108950 YCIBUFGIEBPWKN-NSHDSACASA-N 369.248 3.881 30 40 FHEB Cc1nc(N2CCc3c(sc(N)c3C#N)C2)c2c3c(sc2n1)CCC3 18175309 BJEVLEYYPODUKW-UHFFFAOYSA-N 367.503 3.567 30 40 FHEB Cc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1[N+](=O)[O-] 18272426 GLWJFXBBQMLMOD-OQLLNIDSSA-N 357.366 3.934 30 40 FHEB CCOc1cc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408730146 FSPXPTSZGJYYRZ-HXUWFJFHSA-N 366.417 3.925 30 40 FHEB COc1cc(Cl)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 22276931 UDVBLCDORAVDAQ-CIAFOILYSA-N 360.841 3.637 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)COC)cc1 218410184 ZXLUHYLSZXMKSA-NJDAHSKKSA-N 369.486 3.654 30 40 FHEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 83316240 CCYPVLNXMHQBLV-PXNMLYILSA-N 366.171 3.518 30 40 FHEB Cc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccc(Cl)cc1 40397575 UFBAANVYYPHWMQ-UHFFFAOYSA-N 370.865 3.603 30 40 FHEB CC/C(O)=N/C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(F)cc2)N1 2257614 QGQLJVJCWYLQET-KRWDZBQOSA-N 363.396 3.820 30 40 FHEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 5897536 LMIIDBUTDNKZTA-AWBCAMRRSA-N 370.474 3.740 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 9361192 DCOSWCVEFAJWSB-VBKZILBWSA-N 360.392 3.833 30 40 FHEB C=C(C)Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 4997940 WVJICJORZJYSBD-UHFFFAOYSA-N 365.458 3.703 30 40 FHEB O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc(C(F)(F)F)c1 1453157 HAAREUIAIMREHT-LBPRGKRZSA-N 351.353 3.562 30 40 FHEB CC(C)(C)N/N=C/c1cc(Br)cc(Br)c1O 3254887 FWPWZWJDZIYOEJ-MKMNVTDBSA-N 350.054 3.639 30 40 FHEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12350655 ALJDGBQIAAKFDF-XENGFHBVSA-N 354.362 3.940 30 40 FHEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCCOc1ccccc1Cl 101102049 KRLILPBGZIVORG-SILNSSARSA-N 365.216 3.987 30 40 FHEB Cc1ccccc1/C=N/N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 3404641 POAUQHAAWHHJBC-SRZZPIQSSA-N 359.341 3.687 30 40 FHEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 3563088 SXRAEHYAICIIJA-RDJZCZTQSA-N 370.522 3.918 30 40 FHEB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 5864505 PBSABDCRSWGEJX-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 408742714 SHDYUPRPMHPMMV-FSJBWODESA-N 373.372 3.886 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 227105690 NURNUALDLDBKNZ-HBMCJLEFSA-N 357.388 3.942 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccco1 97104979 KUNIDKNJJNODQH-OXQOHEQNSA-N 370.401 3.616 30 40 FHEB C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(OCC(F)(F)F)o1 594051505 NVFJSTBTWBSMDK-NSHDSACASA-N 352.312 3.926 30 40 FHEB CS/C(=N\S(=O)(=O)c1cccs1)Nc1cccc(SC)c1 18166771 PNRSMQKXJGBHEA-UHFFFAOYSA-N 358.535 3.990 30 40 FHEB COc1ccc(-c2nc(N(C)Cc3ccccc3C)nc(O)c2C#N)cc1 40122662 VUHJGYYYVSBBEE-UHFFFAOYSA-N 360.417 3.674 30 40 FHEB Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 41540835 FJWIRIBMDQTKQK-HNNXBMFYSA-N 360.348 3.951 30 40 FHEB Clc1ccccc1/C=N\N1CCN(/N=C\c2ccccc2Cl)CC1 4990744 CGFZMCHSQQTWHJ-JZTLMNBPSA-N 361.276 3.979 30 40 FHEB Cc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 95953366 BESUEBYJAKQTNB-JTQLQIEISA-N 364.521 3.972 30 40 FHEB NC(=S)N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1 4511034 PINGSYOKLBXDNZ-YBFXNURJSA-N 365.911 3.678 30 40 FHEB C=CCCC[C@@H](C)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 95459863 WVIJSLBEHNOWLA-QGZVFWFLSA-N 370.497 3.608 30 40 FHEB Cc1ccccc1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409365813 YOZOIYXZMXOLQH-UHFFFAOYSA-N 372.428 3.700 30 40 FHEB Cc1cc(C)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1 7779747 XFYFWQRZDCNMNM-UHFFFAOYSA-N 368.458 3.829 30 40 FHEB COc1ccc(/C(C)=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19901670 CLNVGGPDUKAMRT-NKFKGCMQSA-N 367.493 3.554 30 40 FHEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccco1 409062440 UYZPEWONHNYWQI-GIJQJNRQSA-N 357.391 3.718 30 40 FHEB COc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1O 408863351 NLUGRYDNIBLBRU-YVLHZVERSA-N 370.430 3.609 30 40 FHEB N#CC1(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCCC1 8157135 LZZHGKXVYTTWAM-FQEVSTJZSA-N 365.502 3.648 30 40 FHEB C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc2c(s1)CCC2 560590370 PBAFWGXHJWCOOL-AWEZNQCLSA-N 352.507 3.823 30 40 FHEB N#CC1CCN(Cc2cc(Br)ccc2Br)CC1 1140632106 KIRMBULOMOIMJW-UHFFFAOYSA-N 358.077 3.947 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1C 5789225 DQAYUZQUMHXJHL-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB C[C@]12C=CC(=O)C(Cl)=C1[C@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 605692573 WGVLKKXLCOUHPO-MNPQAXFZSA-N 350.886 3.583 30 40 FHEB in-vitro CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5785147 NZIRHXYSBULUOW-MRXNPFEDSA-N 371.780 3.759 30 40 FHEB C=C(C)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 20869852 LDUFEKGCVIGSKF-UHFFFAOYSA-N 366.490 3.928 30 40 FHEB C=C(C)CN(CC)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 40159124 PASHROYSAZLKNU-UHFFFAOYSA-N 370.522 3.721 30 40 FHEB COc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1OC 1427481 JYDXRGNIBUGOEF-GIJQJNRQSA-N 366.211 3.931 30 40 FHEB Cc1cc(N/N=C/c2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1 4855756 AIIJJVAYRCPRSD-FYJGNVAPSA-N 362.393 3.751 30 40 FHEB Cc1ccc2nc(C3=C(N)N(c4cccc5ccccc45)CC3=O)[nH]c2c1 8844099 LAAKMZIZHCJLLE-UHFFFAOYSA-N 354.413 3.741 30 40 FHEB C=CCOc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1OC 11516106 SPKSWASGNIDXBY-UHFFFAOYSA-N 363.360 3.791 30 40 FHEB C#CCOc1cccc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1 12188844 HMCRTSWEMFFAKB-QFIPXVFZSA-N 353.437 3.711 30 40 FHEB N#Cc1ccc(Cc2cnc(NC(=O)Cc3noc4ccccc34)s2)cc1 12807281 RSZZAOMMCLIMNK-UHFFFAOYSA-N 374.425 3.928 30 40 FHEB N#Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 40145614 RLQUXGMNTNSJLF-UHFFFAOYSA-N 363.804 3.674 30 40 FHEB N#CC1(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCCCCC1 51797835 ZRYHUZKGKSECBH-UONOGXRCSA-N 374.403 3.631 30 40 FHEB C=CCc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc(OC)c1O 57789013 RZFGQTGAIAZMED-WJDWOHSUSA-N 358.463 3.632 30 40 FHEB Cc1ccc(-c2n[nH]c(/N=C(\O)C3=NO[C@H](c4ccccc4)C3)n2)s1 58228368 GHPFVNSLLPQZRO-ZDUSSCGKSA-N 353.407 3.947 30 40 FHEB N#Cc1c(COC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cn2ccccc12 61436314 PSAZEUMJXGXNCF-UHFFFAOYSA-N 369.380 3.523 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 102792067 XAFNCYACATWAMF-HXUWFJFHSA-N 357.454 3.608 30 40 FHEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccccc1 224678048 YMBVQTQFUXMURG-UHFFFAOYSA-N 359.447 3.553 30 40 FHEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224750540 HESKHKBXJNQLMI-UHFFFAOYSA-N 366.826 3.938 30 40 FHEB CSc1nncn1/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408820388 VSUDBOMHRSBTQE-FOKLQQMPSA-N 372.457 3.757 30 40 FHEB COc1cccc(-n2c(C)cc(/C=N\Nc3ncccc3[N+](=O)[O-])c2C)c1 409108725 XKDWFYYZRQRWQM-MTJSOVHGSA-N 365.393 3.852 30 40 FHEB N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1 869725 SBVZFHPYQWDMCZ-UHFFFAOYSA-N 366.380 3.935 30 40 FHEB N#CCSc1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 2948987 FMGUJJAKOHNBJR-UHFFFAOYSA-N 350.403 3.586 30 40 FHEB COc1ccc(NCc2nnc(SCC#N)n2-c2ccc(C)cc2)cc1 4126526 AWWFAHKOKXCOLE-UHFFFAOYSA-N 365.462 3.812 30 40 FHEB Cc1nnc(S[C@@H](C)C(=O)Nc2sccc2C#N)n1-c1ccccc1 7171477 DJBHVGZNKPCHIA-NSHDSACASA-N 369.475 3.628 30 40 FHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 7217452 PWOGHYISXZDGCW-MRXNPFEDSA-N 369.471 3.694 30 40 FHEB CN(Cc1ccccc1N1CCCCC1)C(=O)COc1ccc(C#N)cc1 12550203 NSKUSIDYXBFAEA-UHFFFAOYSA-N 363.461 3.586 30 40 FHEB COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 17837215 QGBUWAJLMMCNQF-ZROIWOOFSA-N 358.191 3.676 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 19138344 UGLDUBMLYUPQIV-SFHVURJKSA-N 351.377 3.898 30 40 FHEB CCOc1ccc([C@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 25049099 ZLXLIIDTMULNQS-HNNXBMFYSA-N 368.481 3.622 30 40 FHEB CC[C@H]1c2ccsc2CCN1S(=O)(=O)CC1(C#N)CCCCC1 95942005 ICSSDRPGZHXZDQ-HNNXBMFYSA-N 352.525 3.861 30 40 FHEB C#CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(OC)c21 100909839 QAIWTEUIQPMZEA-ZZEZOPTASA-N 356.834 3.739 30 40 FHEB O=C1/C(=N/Nc2nc3ccccc3[nH]2)c2ccccc2N1Cc1ccccc1 102977656 ZYSHTLMQLCOOQT-LKUDQCMESA-N 367.412 3.926 30 40 FHEB COC(=O)/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118913141 MVLYYRYIEZOWIZ-FLMHVLNXSA-N 356.462 3.797 30 40 FHEB in-vitro C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=S 409238473 AIBISCDHVSXDGQ-PTNGSMBKSA-N 355.488 3.876 30 40 FHEB CC(=O)n1nc(/N=C(/C)O)nc1SCc1ccc(Br)cc1 59475070 VOIWHZHXIRYFRS-UHFFFAOYSA-N 369.244 3.601 30 40 FHEB Cc1c(C(=O)/C=C/c2cccc3c2OCCCO3)nnn1-c1ccccc1 58380523 WPLBZMICUQRFHN-VAWYXSNFSA-N 361.401 3.633 30 40 FHEB O=C(OCC#CCSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 2459051 ZFRZNOBNNTUPJQ-UHFFFAOYSA-N 368.370 3.689 30 40 FHEB C[C@@H]1CCc2c(sc(NC(=O)CN3CCc4ccccc43)c2C#N)C1 2726597 DOBFHQAFBXHYLK-CYBMUJFWSA-N 351.475 3.746 30 40 FHEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5901484 HQGBEXGFWUNAHY-PXAZEXFGSA-N 373.478 3.899 30 40 FHEB N#CCCSc1ccccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 95953408 KXRXASAWESBAGK-INIZCTEOSA-N 352.415 3.933 30 40 FHEB CCOc1cc2c(cc1O)/C(=N/OC)C[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 61879111 UEBKXOVVEDPLRF-VIFFSEQLSA-N 359.466 3.816 30 40 FHEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224838195 KUAPXKCHMABMHP-UHFFFAOYSA-N 373.474 3.764 30 40 FHEB COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257198368 DLURJPMDGSFIIF-ZCNZEQCVSA-N 374.521 3.663 30 40 FHEB biogenic,in-vitro CCSc1nc(-c2ccc(Br)cc2)c(C#N)c(=O)n1CC 12413629 QDAHJILLWIBOJD-UHFFFAOYSA-N 364.268 3.676 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(F)c1)c1ccco1 96336098 SFZFHOQDHGYGTI-CQSZACIVSA-N 370.361 3.658 30 40 FHEB Cc1ccccc1-c1noc(CSCC(=O)Nc2ccc(C#N)cc2)n1 31423011 XWMVTKWUWRXLNZ-UHFFFAOYSA-N 364.430 3.789 30 40 FHEB Cc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(C)s2)s1 1003316 FVSIUUSARNIQLN-NXVVXOECSA-N 350.490 3.812 30 40 FHEB CCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccccc1 3097511 MSWJUYGUVCRTOG-CAPFRKAQSA-N 360.479 3.958 30 40 FHEB Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 3251318 DBAUJOKFSLRHRA-UHFFFAOYSA-N 364.788 3.608 30 40 FHEB aggregator CCOC(=O)C1CCN(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)CC1 2790254 XXVXFIOFARVXKA-VMPITWQZSA-N 356.249 3.965 30 40 FHEB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Oc3ccc(C#N)cc3Cl)ccc21 13024247 TWQDKYGAILCHJW-GFCCVEGCSA-N 368.820 3.771 30 40 FHEB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C#N)c(C)c1C 7058680 SWQZGDRDIRHTNU-UHFFFAOYSA-N 371.418 3.946 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc2c(c1)OCO2 409097519 IUXZOKYTOHDHLY-MTJSOVHGSA-N 354.406 3.783 30 40 FHEB NC(=O)C(=NNc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 368147598 GJAXQLTVQJRPNM-UHFFFAOYSA-N 365.245 3.905 30 40 FHEB COc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 6924768 AMUSYDVGRGMDKP-FLFQWRMESA-N 370.412 3.914 30 40 FHEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc(OC)c1OC 13692875 NZPOXDZKAOJHSE-QGZVFWFLSA-N 370.405 3.573 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2ccccc2)no1 102803865 ASLIIZSNVKRLJS-HVESIFNPSA-N 364.357 3.511 30 40 FHEB COc1ccc(S(=O)(=O)N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1 947573 VHRWWWJWQJZFPM-UHFFFAOYSA-N 361.463 3.572 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N2CC=C(c3ccccc3)CC2)n1 7096874 NUGQDUPADGMDMQ-UHFFFAOYSA-N 363.486 3.978 30 40 FHEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC 7744400 MBWOUYGUUKACAI-RMKNXTFCSA-N 358.390 3.626 30 40 FHEB biogenic C=CCSc1nnc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)s1 9302888 VZTIYQJEIQGTDE-UHFFFAOYSA-N 373.459 3.792 30 40 FHEB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1cccc(C#N)c1 12104708 GQRVREQWVZSIBF-CYBMUJFWSA-N 369.494 3.918 30 40 FHEB C=CCn1c(SCCc2ccncc2)nnc1-c1ccccc1OC 58012653 SXMGGZUXAXCUGC-UHFFFAOYSA-N 352.463 3.870 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1[N+](=O)[O-] 226817957 CMSMQQSFBYRQKE-RDTXWAMCSA-N 355.346 3.507 30 40 FHEB Cc1cc(C#N)nc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1 582318179 CVJYGHDVJFNPPW-UHFFFAOYSA-N 362.264 3.680 30 40 FHEB O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)OC(F)(F)F 3149864 GGAWFDFCOVSBRY-UHFFFAOYSA-N 362.226 3.999 30 40 FHEB N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCC1 3334186 WBJZYTYAQMYBLF-UHFFFAOYSA-N 355.825 3.829 30 40 FHEB C#CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 4944158 CYNOINIFCIZBFS-INIZCTEOSA-N 373.412 3.571 30 40 FHEB N#Cc1ccc(NC(=O)COc2ccccc2Br)cc1Cl 5037976 MXCQLYHAWNCYDY-UHFFFAOYSA-N 365.614 3.992 30 40 FHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 5129032 TWJJATUTUQUXEW-LJQANCHMSA-N 367.445 3.725 30 40 FHEB COc1ccccc1-n1c(SCCC#N)nc2cc([N+](=O)[O-])ccc21 5355422 APWHIVDJKXMSIZ-UHFFFAOYSA-N 354.391 3.948 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1Br 8554509 DPNZNIRGIIQZPB-UHFFFAOYSA-N 359.223 3.617 30 40 FHEB N#C[C@@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccccc1 12322145 GEIRPHIWQKUAFL-ZIAGYGMSSA-N 354.456 3.916 30 40 FHEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@@H](C)O2 18054440 LRYIVOPPHVXKTP-ZUOKHONESA-N 350.418 3.771 30 40 FHEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc21 19820165 LPAOSYLDXUDJEI-UHFFFAOYSA-N 371.462 3.706 30 40 FHEB COc1c2c(cc3c1[C@H](C/C(=N\O)c1ccc(C)cc1)N(C)CC3)OCO2 20113167 MVDDOMAAIMLAQN-JMMZKRSASA-N 368.433 3.530 30 40 FHEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 20533356 KAJKZBLKVVOJQQ-SXGWCWSVSA-N 374.234 3.833 30 40 FHEB COc1ccc([C@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1 27793004 UVDVFRUCUOPZIZ-INIZCTEOSA-N 368.462 3.998 30 40 FHEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1 46084940 WRRDBHGPRMEKKZ-HKWRFOASSA-N 365.216 3.906 30 40 FHEB CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@@H]1c1ccccc1 57878127 VTWLZJNCEFUYFH-QGZVFWFLSA-N 365.385 3.510 30 40 FHEB CCN(CC)c1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cn1 58244915 IRGCXEUZFNLTQN-UHFFFAOYSA-N 361.496 3.561 30 40 FHEB N#C[C@@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 72308612 FHPABCBPODTRGR-VQTJNVASSA-N 351.425 3.926 30 40 FHEB O=C1CSC(=S)N1/N=C\c1ccccc1OCc1ccccc1F 409328804 BBEFTBDTMVHFJU-OCKHKDLRSA-N 360.435 3.599 30 40 FHEB CCCOc1c(Cl)cc(C(=O)N(CCC#N)CCC#N)cc1OCC 54546542 PSSHUQLFNRMTMZ-UHFFFAOYSA-N 363.845 3.797 30 40 FHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccccc3)c2C#N)C1 6824563 DQNJJOGOUGTXPX-LBPRGKRZSA-N 369.515 3.800 30 40 FHEB Cc1ccc(C2=NN(C[C@H](C)C#N)C(=O)c3cc4ccccc4n3C2)cc1 57720545 BQCLZJZJHGFFMW-MRXNPFEDSA-N 356.429 3.970 30 40 FHEB N#CC1(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)CCCC1 58160461 ZLDCCYMONAZXGT-INIZCTEOSA-N 368.506 3.776 30 40 FHEB C=CCNC(=S)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 4180485 MXZVJGKJQPOABA-UHFFFAOYSA-N 356.491 3.767 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCC3 6112719 JYCAGUNQAAVLQC-ADLMAVQZSA-N 374.535 3.715 30 40 FHEB COc1cc(C#N)ccc1OCc1cc2c(cc1Br)OCO2 6880541 SEHYULYAGFSECE-UHFFFAOYSA-N 362.179 3.637 30 40 FHEB C[C@](C#N)(NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 83862117 RGYOVCWGKROJLT-GOSISDBHSA-N 358.467 3.709 30 40 FHEB Cc1cc(C(F)(F)F)nc(S[C@H](C)C(=O)NCc2ccco2)c1C#N 32117745 USMYQSYLBPKCSD-SNVBAGLBSA-N 369.368 3.671 30 40 FHEB COc1cc(OC)c(/C=N/NC(=S)Nc2c(C)cccc2C)c(OC)c1 3271987 LTTSPTMATJGTMK-RGVLZGJSSA-N 373.478 3.650 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 6879584 WIJJUUMISPBVST-INIZCTEOSA-N 367.836 3.703 30 40 FHEB Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)c1 14143703 JOIQYYZSBMMNLK-UHFFFAOYSA-N 363.446 3.557 30 40 FHEB COc1ccc(/C=C2\Oc3cc(OC(C)=O)cc(C)c3C2=O)cc1OC 6624009 AEWZAERYUSPBIU-NVMNQCDNSA-N 354.358 3.554 30 40 FHEB biogenic Cc1ccc2cc(C#N)c(NCCCNC(=O)c3cccs3)nc2c1 35315465 CPHGXYVMAPTMAW-UHFFFAOYSA-N 350.447 3.708 30 40 FHEB Cc1cccc(N2CCN(C(=O)c3ccccc3SCC#N)CC2)c1C 30778063 ZLRREQXPJAYWLM-UHFFFAOYSA-N 365.502 3.882 30 40 FHEB CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccc(F)cc3)S2)cc1 16754312 ABIFMUOUQSTRFY-QGZVFWFLSA-N 372.421 3.717 30 40 FHEB COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O 6073994 VSSBZPALBIVFAK-NCUBORBFSA-N 368.385 3.560 30 40 FHEB biogenic CCOC(=O)c1sc(N)c(C#N)c1COc1ccc(F)cc1Cl 7123115 ICSDPVAZGLTDSO-UHFFFAOYSA-N 354.790 3.750 30 40 FHEB C#CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccncc1 54702481 JKFSDEFEPOMDRY-OAQYLSRUSA-N 355.397 3.865 30 40 FHEB COc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 27664190 URHQKVLNXQPQAJ-UHFFFAOYSA-N 374.805 3.708 30 40 FHEB CCC1([C@@](O)(C#CCN(CCO)C(C)(C)C)c2ccccc2)CCCC1 2287398 CJJYLXAXGQLGEN-HSZRJFAPSA-N 357.538 3.941 30 40 FHEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccnc3)S2)cc1 110706931 IHKLFDYTKGEZGV-SFQUDFHCSA-N 352.463 3.819 30 40 FHEB C=CCOc1ccc(CN(C)Cc2nnc(-c3ccc(OC)cc3)o2)cc1 9114625 BJLRRVSWDHHILP-UHFFFAOYSA-N 365.433 3.942 30 40 FHEB COc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 4119043 OTQACOQMALUWFM-YPAWHYETSA-N 369.424 3.686 30 40 FHEB Cn1c(N/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 5072502 HOGNZVZTZCTNNN-DJKKODMXSA-N 361.308 3.529 30 40 FHEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\c2ccc3c(c2)OCO3)c1 409095942 JBRIPVZLZZLKAK-SOFYXZRVSA-N 365.139 3.542 30 40 FHEB N#Cc1c(OCC(=O)NC2CCCCC2)nc(-c2ccco2)c2c1CCC2 32094295 MOOBJWLZYJQAMK-UHFFFAOYSA-N 365.433 3.530 30 40 FHEB O=C1/C(=C/c2ccc(Br)cc2)N[C@@H](S)N1c1ccccc1 22079908 DIHVTMPCKXRCNE-SCOADAFUSA-N 361.264 3.640 30 40 FHEB COc1ccc(-c2ccc(C(=O)Nc3ccccc3C#N)o2)c([N+](=O)[O-])c1 5034603 FTQSEVBAEAVMET-UHFFFAOYSA-N 363.329 3.987 30 40 FHEB COc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OC 5128364 YLSDNJUKTJZLSY-UHFFFAOYSA-N 373.202 3.929 30 40 FHEB CN/C(S)=N/N=C\c1ccc(OCc2cccc(Cl)c2)c(OC)c1 12374317 KILHIODOEAWTRL-JMIUGGIZSA-N 363.870 3.767 30 40 FHEB COc1cccc(OCc2nnc(SCc3ccccc3C#N)o2)c1 19418180 MPASWNXCMKODDS-UHFFFAOYSA-N 353.403 3.821 30 40 FHEB CC(C)(C)c1cc(C(=O)O/N=C(\N)c2cccnc2)cc(C(C)(C)C)c1O 5379829 QKZBQAPUFYGARJ-UHFFFAOYSA-N 369.465 3.860 30 40 FHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 78549860 DPJCTGLYQYCOPQ-LJQANCHMSA-N 365.429 3.692 30 40 FHEB O=C1C(=Cc2ccccc2I)C(=O)c2ccccc21 847813 LCBXUCGCTUVOFJ-UHFFFAOYSA-N 360.150 3.754 30 40 FHEB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC(C)=O)[C@]3(C)C[C@H]3O[C@@]213 4280504 RTQHUAHEQACVGY-FTMCFMMZSA-N 370.445 3.520 30 40 FHEB COc1ccccc1/C=N/N=c1nc(O)c2ccccc2n1-c1ccccc1 408733327 XKOHPKUEWWQNBC-HZHRSRAPSA-N 370.412 3.675 30 40 FHEB C=CC[C@H]1S/C(=N/N=C\c2ccc(OCc3ccccc3)cc2)NC1=O 19791772 SCGSWNHBPLTURS-LZAZYHHXSA-N 365.458 3.763 30 40 FHEB N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6605493 PXDOMTJDEZUVQP-UHFFFAOYSA-N 370.408 3.950 30 40 FHEB C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768370 ACQKFMVDLAKPLO-INIZCTEOSA-N 370.880 3.602 30 40 FHEB CC1=C(N/N=C(\C#N)c2nc3ccccc3[nH]2)C(=O)[C@@H](c2ccccc2)[C@@H]1C 1554504425 IHMQAYQUPQIZFP-VCCZHBKSSA-N 369.428 3.657 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)CCCC2 5475123 QXIQZUOHQHRRTR-UHFFFAOYSA-N 368.820 3.886 30 40 FHEB CN(C)c1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 16922594 HRIDYGANUPTUKK-FYJGNVAPSA-N 356.539 3.519 30 40 FHEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 5372905 OYLWAGYDBVTEPA-WJDWOHSUSA-N 352.415 3.839 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(Cc2ccco2)c1C 3428636 CCHLTYSVCCWUNT-UHFFFAOYSA-N 364.401 3.888 30 40 FHEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2c1ccccc1 3203686 VTKFROIUIDRZBK-LJQANCHMSA-N 363.373 3.873 30 40 FHEB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1 3347473 XICBIZADABVLMF-UHFFFAOYSA-N 364.323 3.855 30 40 FHEB CC(C)COc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 4332969 LDFAVKQDFMQTGX-UHFFFAOYSA-N 372.465 3.563 30 40 FHEB CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4956558 XSJKQGKTYSCLDB-VZZUUUIUSA-N 367.474 3.939 30 40 FHEB CCCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1CC 7605527 UGGVTSDOUSIQBY-UHFFFAOYSA-N 363.874 3.506 30 40 FHEB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2 7619346 ULCTWASQOJDMIX-CYBMUJFWSA-N 351.475 3.888 30 40 FHEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(O)cc1 8564605 NFRKXHKKEPTCEV-FESQGUELSA-N 369.471 3.996 30 40 FHEB C#CCOc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1OC 12113875 DWTVEIKKQBMLKZ-UHFFFAOYSA-N 362.433 3.771 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2cccc(C)c2C)ccc1OC 33706731 QOIOOWQMSHMOQQ-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB CC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083806959 FSHSNCARVFDOTB-UHFFFAOYSA-N 356.131 3.696 30 40 FHEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1848168 ZXFSJSIQVPUEIZ-HZHRSRAPSA-N 355.397 3.954 30 40 FHEB O=C(N1CCCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 3145694 FJFMUPISFUAFFT-NSHDSACASA-N 373.215 3.584 30 40 FHEB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccccc2C#N)C1=O 3550829 VFKJFDSWDONBES-JOCHJYFZSA-N 355.397 3.679 30 40 FHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 4147898 YGNPPXGOFQXQIJ-KGENOOAVSA-N 367.430 3.642 30 40 FHEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 13424074 FLAGIZNIHPOYMH-BWORXHKJSA-N 371.437 3.806 30 40 FHEB N#Cc1ccc(Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1 32647207 MDGADAJSMJOSTA-UHFFFAOYSA-N 351.409 3.907 30 40 FHEB C#CCN1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 40158602 ZPRFPVADUVQIPR-UHFFFAOYSA-N 373.909 3.671 30 40 FHEB CCCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 44699420 MQLQZGCILBTUPB-HSZRJFAPSA-N 371.521 3.733 30 40 FHEB in-vitro O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/c1cc(Cl)c(O)c(Cl)c1 77024165 QNDTTXKNSMDCBN-UHFFFAOYSA-N 352.133 3.680 30 40 FHEB CS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(Cl)cc1Cl 95097904 YQFAFAPMMJYBAG-UHFFFAOYSA-N 359.259 3.619 30 40 FHEB C/C(=C\c1ccccc1)[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@]1(C#N)C(=N)O3 105304194 SLMBFNKRZZTIAJ-DZVPYJTHSA-N 372.428 3.926 30 40 FHEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409210003 IYCMOPVCJKLWNB-WSDLNYQXSA-N 373.368 3.545 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1)O[C@H](C)C2 12564896 OGDZWQFACILHGL-KGLIPLIRSA-N 365.433 3.719 30 40 FHEB COC(=O)C[N+]1=C(C)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1802985 ZWSKQYINLNUCMK-SFHVURJKSA-O 374.258 3.568 30 40 FHEB CCOc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)c1 22608413 INFHUAROCBCSFN-APPDUMDISA-N 370.478 3.667 30 40 FHEB C=CCNC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408977699 JPDYMBCYSUPBBM-UHFFFAOYSA-N 367.412 3.670 30 40 FHEB N#C[C@@H](COC(=O)c1cccc(NC(=O)C2CC2)c1)Cc1cccs1 89779601 SDUULMQCLRVFDG-ZDUSSCGKSA-N 354.431 3.636 30 40 FHEB COC(=O)/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 30729131 MVLYYRYIEZOWIZ-GYUZZIFOSA-N 356.462 3.797 30 40 FHEB CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 96122467 UMTKDOHWQRAILG-NRFANRHFSA-N 363.461 3.745 30 40 FHEB COc1cc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc(OC)c1O 1261531 KKQPACSTVTYRPJ-ZDLGFXPLSA-N 362.455 3.593 30 40 FHEB CCCn1nnnc1/N=C/c1cccc(OCC)c1OCc1ccccc1 100384234 CYSPEVKTBKZPFX-KGENOOAVSA-N 365.437 3.811 30 40 FHEB C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(F)cc1 12063455 YDMRYAKJXWYKMS-FQEVSTJZSA-N 363.392 3.961 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20482068 AHAABNZYXFUCNV-KRWDZBQOSA-N 366.461 3.934 30 40 FHEB C=CCN(CC=C)C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7985742 HKZKKKSVVKHFDP-UHFFFAOYSA-N 360.461 3.849 30 40 FHEB N#CCCCCNC(=S)N/C(=N/Cc1ccccc1)c1ccccc1 4265487 SELKKWSTUIIERR-UHFFFAOYSA-N 350.491 3.791 30 40 FHEB biogenic Cc1cc(=O)c(C(O)=Nc2ccc(N3CCCCC3)nc2)cn1C1CC1 329424714 GLBGVJXRCHQJEH-UHFFFAOYSA-N 352.438 3.513 30 40 FHEB S=C(N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 1682552 FUUVSZMLLGHFDE-VNIJRHKQSA-N 351.262 3.826 30 40 FHEB C=CCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OC 6441249 OWYIHNQLFJKFDI-YBFXNURJSA-N 366.369 3.663 30 40 FHEB biogenic,in-vitro C=CCc1cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)cc(OC)c1O 8091803 IKPMOMJSEZLDJL-SSDVNMTOSA-N 367.474 3.801 30 40 FHEB C=CCN1C(=S)N[C@H]2c3cc(Br)ccc3O[C@@]1(C)[C@H]2C 101243855 XLYHITJOWOETTH-RJIBLYRGSA-N 353.285 3.611 30 40 FHEB C=CCOc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 40095089 OKDPUPVVYUWPIP-UHFFFAOYSA-N 371.393 3.832 30 40 FHEB COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 1079988 PITPOKMPKVZPRG-QUCCMNQESA-N 369.392 3.676 30 40 FHEB CCCCCCCCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1 2051724 ZNEGOCGGTGQMGW-UHFFFAOYSA-N 374.481 3.635 30 40 FHEB CCOc1ccc2nc(NC(=O)COc3ccccc3C#N)sc2c1 2653102 IMWPBXVSFPHDCL-UHFFFAOYSA-N 353.403 3.584 30 40 FHEB O=C(CO/N=C/c1ccccc1OC(F)F)N[C@@H]1CCCc2ccccc21 5349149 SNTGFLHSXGZYIY-UXHMZNKVSA-N 374.387 3.832 30 40 FHEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 5643256 MCCMXPUEXHTHHR-HNNXBMFYSA-N 353.491 3.800 30 40 FHEB O=C1C(=Cc2cc3c(cc2Br)OCO3)C(=O)c2ccccc21 7740400 SGPVWXWTMPMIGN-UHFFFAOYSA-N 357.159 3.640 30 40 FHEB C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccccc1)C2 9936493 QAPHMAFCANIKSZ-KRWDZBQOSA-N 373.460 3.790 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccnc2)cc1 19138728 SSDLHAWEYWRYBI-SFHVURJKSA-N 350.418 3.624 30 40 FHEB Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3nc2C)n1 23055640 COOFGRWUCNASOX-GFCCVEGCSA-N 354.460 3.672 30 40 FHEB C[C@@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1 57514090 YOXUBACEJRISCP-HNNXBMFYSA-N 351.475 3.939 30 40 FHEB CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 58215060 JXHXSGDCHZSQLR-UHFFFAOYSA-N 362.477 3.890 30 40 FHEB N#Cc1cc([N+](=O)[O-])ccc1NCCNc1ncc(Cl)cc1Cl 84351052 CBGDXCIMVHYSQL-UHFFFAOYSA-N 352.181 3.692 30 40 FHEB CCCCCCCCCCN(CCOCCOCCO)C(=O)OCC 100934523 RHYBJLFVEVEOPK-UHFFFAOYSA-N 361.523 3.611 30 40 FHEB Cc1nnc(/N=C2/S/C(=C\c3cccc4cccnc34)C(=O)N2C)s1 102762492 VTKQAXQIZFNLLH-HNYWLZINSA-N 367.459 3.629 30 40 FHEB C=CCSc1nnc(NC(=O)CSCc2ccccc2F)s1 224990729 JDKCMDRNQNHCQB-UHFFFAOYSA-N 355.485 3.827 30 40 FHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)C 12407401 HRQMBLGPQXUSLB-UHFFFAOYSA-N 360.479 3.718 30 40 FHEB N#Cc1cccc(NC(=O)CSCc2nc(-c3cccs3)no2)c1 36398513 YSTKYKCDMOBDJF-UHFFFAOYSA-N 356.432 3.542 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/NC(N)=S)CC[C@@]43C)[C@@H]1CC[C@@H]2O 59409451 YSALUCJHTGLMGQ-HHTFACSVSA-N 363.571 3.579 30 40 FHEB C#CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 47406003 FQEQAMANRUGHQP-FQEVSTJZSA-N 364.401 3.584 30 40 FHEB CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 13423877 GGSYHZSDFMRETD-XAIYEJPOSA-N 373.865 3.930 30 40 FHEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Br)cc1 6084338 YXUBZXINQWIWLY-ZDUSSCGKSA-N 372.266 3.780 30 40 FHEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)O 98087042 QFUUKQLEPLGKDE-LICLKQGHSA-N 356.399 3.878 30 40 FHEB COCC#CCSc1nnc(-c2cccs2)n1Cc1ccccc1 89409632 KZIRLANBWNNLPJ-UHFFFAOYSA-N 355.488 3.797 30 40 FHEB O=C1C(c2ccccc2)=C(N2CCN(c3ccccn3)CC2)c2ccccc21 20509802 UGQNNDCQEPUCLP-UHFFFAOYSA-N 367.452 3.968 30 40 FHEB Cc1ccnc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c1 409094997 GYQABELSSPESRS-SRZZPIQSSA-N 350.382 3.547 30 40 FHEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc([N+](=O)[O-])cc1 409105502 KPRNWSZXDITJSP-MOSHPQCFSA-N 355.394 3.963 30 40 FHEB C=CCc1cc(C(=O)NCCCc2ccc(OC)c(OC)c2)ccc1OC 218657354 BQTZVHIUQAGBTR-UHFFFAOYSA-N 369.461 3.804 30 40 FHEB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\O 139297133 CYXDJMFPBWGONJ-NVMNQCDNSA-N 363.211 3.583 30 40 FHEB O=C1CCCC2=C1[C@@H](c1ccc(Br)s1)c1c(O)n[nH]c1N2 12348100 VOOMCYSLRQQDDE-LLVKDONJSA-N 366.240 3.504 30 40 FHEB C=CCCC(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217595669 KWEYIWQCPCRUCG-NRFANRHFSA-N 356.510 3.625 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102616143 RARZYWLDHNMAHD-WOOAAIBNSA-N 374.371 3.847 30 40 FHEB Cn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1cccc(Cl)c1 825416 MUASWDZOHCWOKE-KEBDBYFISA-N 354.797 3.782 30 40 FHEB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 1703563 GPZLCTGUAXHBDL-UHFFFAOYSA-N 356.488 3.846 30 40 FHEB O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccccc2)c2ccccc21 3123220 WBXHNIKNDYFSJC-CYVLTUHYSA-N 366.225 3.750 30 40 FHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 4498873 SZUXHYIDXWMGHZ-KCLQIIJJSA-N 371.300 3.540 30 40 FHEB COc1cc(N/N=C(\C)c2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 5289581 RVCLYDOWDKWIMG-LPYMAVHISA-N 363.377 3.897 30 40 FHEB C/C(O)=N\Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7905344 UIQNFDJCLWINMO-UHFFFAOYSA-N 370.478 3.942 30 40 FHEB CCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 8396865 UGPCEBSNSCYUST-CYBMUJFWSA-N 366.531 3.674 30 40 FHEB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1)O[C@@H](C)C2 12564898 OGDZWQFACILHGL-KBPBESRZSA-N 365.433 3.719 30 40 FHEB C=CCn1c(SCC(=O)OC)nnc1-c1csc2c1CC[C@@H](C)C2 17074806 HNEJGTZTOIYDFU-LLVKDONJSA-N 363.508 3.583 30 40 FHEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3ccccc32)cc1 39853902 AZFZDVXMIQYSNN-QOCHGBHMSA-N 352.434 3.978 30 40 FHEB Cn1c(Cc2cccs2)nnc1SCCOc1ccccc1C#N 58167591 NUZWTLBRPWSFPB-UHFFFAOYSA-N 356.476 3.510 30 40 FHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 61991161 MIVSQBNBIGTKAZ-YENQFGAYSA-N 359.510 3.600 30 40 FHEB biogenic CC(C)(C)Nc1ccc(/C(N)=N/OCCOc2ccccc2Cl)nc1 96003775 LSPNZASXAOSVNY-UHFFFAOYSA-N 362.861 3.661 30 40 FHEB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 100587064 YTXHYKSCSIKERP-BOURKTIISA-N 359.385 3.698 30 40 FHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 101662416 AGQXIEJCYFOSEN-OAQYLSRUSA-N 373.497 3.859 30 40 FHEB CN(C)c1ccc([N+]([O-])=C/C=C\C=[N+]([O-])c2ccc(N(C)C)cc2)cc1 104076402 DHDBZHMVWRZRPO-WRMXBQAQSA-N 352.438 3.500 30 40 FHEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951404 FOXIWUHAIFZMTN-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1 225914758 QBGFXBOHDQOAHF-UHFFFAOYSA-N 353.418 3.942 30 40 FHEB C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CCC(=O)O 256073308 PBKZPPIHUVSDNM-BXOMYGOZSA-N 358.478 3.890 30 40 FHEB N#CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 408970972 BUSROXYTPLAMHO-VBKFSLOCSA-N 371.318 3.937 30 40 FHEB C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=C(O)C(=O)[C@]3(C)[C@H]1C2 514288111 ORKFUAJHKSRPFC-PQHSHHISSA-N 360.450 3.838 30 40 FHEB biogenic,in-vitro C=CCOc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 4751356 LPHPEIFPJKJRKM-QGZVFWFLSA-N 360.365 3.615 30 40 FHEB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C#N)n2)cc1 5180332 KWRXEAOCSTZJOY-UHFFFAOYSA-N 363.446 3.637 30 40 FHEB CCN(CC)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 6078480 JTLPUORDCBYKIZ-FYJGNVAPSA-N 359.437 3.798 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1 7325163 IGHPQUVPCSSCPQ-BJMVGYQFSA-N 351.402 3.727 30 40 FHEB C/N=c1\scc(-c2ccccc2Br)n1/N=C/c1ccc[nH]1 12564144 ODAWGKHQYLMFEO-GSICKLFPSA-N 361.268 3.720 30 40 FHEB C=CCn1c(C)cc(-c2csc(NC(=O)[C@H](NC(C)=O)C(C)C)n2)c1C 12763692 SVESOAUQUZSWND-QGZVFWFLSA-N 374.510 3.514 30 40 FHEB CN(CCC#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 13985177 LNMBKFJCRMQSBL-UHFFFAOYSA-N 368.487 3.822 30 40 FHEB N#Cc1cc(C#N)c(SCc2cc3ccccc3nc2Cl)nc1N 25637421 CTPZFCFEHXUDCB-UHFFFAOYSA-N 351.822 3.901 30 40 FHEB CN(C)c1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1 27991011 RFXTXWUIVWGXIZ-QGZVFWFLSA-N 365.437 3.587 30 40 FHEB N#CC1(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CCCC1 55833701 NFTIPDMVESEYGZ-UHFFFAOYSA-N 365.408 3.778 30 40 FHEB NC(=O)CSc1ccccc1NCC#Cc1ccc(C(F)(F)F)cc1 89814332 IPESFJNMCUVJIZ-UHFFFAOYSA-N 364.392 3.746 30 40 FHEB C[C@@H]1COC[C@@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 89941339 BAUVLRXPACMVIN-UZLBHIALSA-N 366.486 3.780 30 40 FHEB Cc1ccc(S(=O)(=O)OCC2(C#N)CC(OCc3ccccc3)C2)cc1 96029349 YDMJYSMRANIJFP-UHFFFAOYSA-N 371.458 3.590 30 40 FHEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1cccc2ccccc12 104237966 XJVZORAIIARGCT-WOJGMQOQSA-N 359.341 3.879 30 40 FHEB C=CCN(c1ccc(C(=O)NCCCC)cc1)S(=O)(=O)c1ccccc1 224374214 CXYOBIHVEZHPTQ-UHFFFAOYSA-N 372.490 3.598 30 40 FHEB Cc1cccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)c1 871282 UTJHYZMAGLHULZ-UHFFFAOYSA-N 353.447 3.725 30 40 FHEB N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4020192 SXMURYUIKQGWGU-VZJWBNGJSA-N 356.381 3.662 30 40 FHEB C=CCNc1nc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cs1 26098485 MUEIUDRCAPIHCE-LLVKDONJSA-N 356.407 3.709 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8040876 PRPGMEVAHWNYIX-UHFFFAOYSA-N 366.461 3.917 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 9883555 GADGNIOCEVVQOQ-SNVBAGLBSA-N 363.874 3.509 30 40 FHEB CCOC(=O)c1sc(=S)n(C)c1/N=C(\O)c1ccc(OC)cc1 2234096 GNKFOBBYKBZUOF-UHFFFAOYSA-N 352.437 3.638 30 40 FHEB Cc1sc2ncn(/N=C/c3ccc(C(F)(F)F)cc3)c(=O)c2c1C 3343818 MQIBYEYDEFZCLE-QPSGOUHRSA-N 351.353 3.976 30 40 FHEB N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 62580331 ZKHRBEMKXVXXDD-IBGZPJMESA-N 373.378 3.951 30 40 FHEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 13718559 XGTPIFGKDGXQNB-OCTXWABXSA-N 369.442 3.695 30 40 FHEB C=CCN(C(=O)CCNC(=O)c1ccccc1)c1nc2ccccc2s1 14160918 ZJGRJQGPOVKJBT-UHFFFAOYSA-N 365.458 3.635 30 40 FHEB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)cc1 5641855 RCLCRUIIZAJHTO-AWEZNQCLSA-N 353.447 3.892 30 40 FHEB CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 7333681 FOVOUIKODUVQPH-QPJJXVBHSA-N 367.401 3.711 30 40 FHEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccc3C)nc2c1 35291538 GOGNJHGJOFOCAS-UHFFFAOYSA-N 358.445 3.874 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccc(C)o3)Nc3ccccc3N2)C(=O)O1 225392039 STTIUWJAIQUZLV-NXSRCCIVSA-N 350.374 3.841 30 40 FHEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc(Cl)c1C 13943131 AYNCUGFMUYCSDX-SILNSSARSA-N 371.784 3.747 30 40 FHEB O=[N+]([O-])c1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1Cl 6283334 YAQJTZQUJGVZTK-MFOYZWKCSA-N 359.798 3.678 30 40 FHEB C[C@H](CC[C@@]1(C)[C@@H]2CC(=O)C=C(C(=O)O)[C@@]2(C)CC[C@H]1C)CC(=O)O 253389960 XKXZAYIPFRBKHT-VFSPXGQHSA-N 350.455 3.920 30 40 FHEB biogenic,in-vitro C=CCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(NC(C)=O)ccc21 100874952 GWDGIYIEVYPPCQ-XDOYNYLZSA-N 365.458 3.517 30 40 FHEB COc1ccc(/C=N/NC(N)=S)cc1OCc1cccc2ccccc12 979636 BHTRWICHTZKREO-WSDLNYQXSA-N 365.458 3.595 30 40 FHEB N#C[C@H](/C(=N\N)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6512679 WZZDCVFKWCYXCM-BYPFCDSWSA-N 371.227 3.792 30 40 FHEB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)nn(CCC#N)c1C 12794090 ULHPJZWCNVMMJF-HNNXBMFYSA-N 368.481 3.541 30 40 FHEB CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 96013478 SDMOYKDWUFEIGG-OAHLLOKOSA-N 369.490 3.863 30 40 FHEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2F)cc1 6057156 NBBYAKQKVHMFEE-FYJGNVAPSA-N 355.394 3.772 30 40 FHEB Cc1csc(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)n1 13730570 IANSMQRIXHUOMW-UHFFFAOYSA-N 363.442 3.960 30 40 FHEB CC(C)C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5859126 UWDLVXSGNKSRKX-LBPRGKRZSA-N 374.293 3.566 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]21)c1ccccc1 409368900 RSXOGLUTSSUIDL-WKDRNLAYSA-N 366.420 3.953 30 40 FHEB CCn1c(N/N=C/c2cc(Br)ccc2O)nc2ccccc21 408692307 JMUPVQAPVUJWMN-VCHYOVAHSA-N 359.227 3.970 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)CNc3cccc([N+](=O)[O-])c3)c2C#N)C1 30284736 FCJDKIQCCAQGRB-NSHDSACASA-N 370.434 3.703 30 40 FHEB CSc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 20762071 YALLSRQOZOEILL-OAHLLOKOSA-N 350.395 3.772 30 40 FHEB biogenic C=CCN(Cc1ccccc1F)C(=O)c1sc(-c2ncccn2)nc1C 58197440 AMOGPKYKYVZMMH-UHFFFAOYSA-N 368.437 3.876 30 40 FHEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCOc1ccccc1 102433783 LITZRPNRQNSLJV-FLFQWRMESA-N 357.413 3.928 30 40 FHEB C=CCn1c(SCc2ccccn2)nc2sc3c(c2c1=O)CCC3 9368356 OTBDLHWVYPHVOY-UHFFFAOYSA-N 355.488 3.820 30 40 FHEB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1C 4714959 GFTBYIPAIZQSAX-RQZCQDPDSA-N 351.431 3.750 30 40 FHEB O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)o1 8687640 YWKQPLJCJREVRU-REZTVBANSA-N 358.301 3.527 30 40 FHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224862261 SNBQZDKEJREBQA-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB CCOC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242390291 AIUKZDUSEVHBEA-PWRODBHTSA-N 369.486 3.790 30 40 FHEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12 15223345 ZCXPEFFQDSPNJP-OAHLLOKOSA-N 374.396 3.661 30 40 FHEB COc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1OC 5169359 SGLQAEMYKWEDFP-UHFFFAOYSA-N 365.414 3.951 30 40 FHEB CCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C 711834 MYYVGYFZNZCJSO-UHFFFAOYSA-N 355.463 3.971 30 40 FHEB CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1O 780233 YMHXBOOUUICZKC-UHFFFAOYSA-N 367.445 3.834 30 40 FHEB Cc1c(CNCc2cccc(Cn3ccnc3C)c2)c2ccccn2c1C#N 79073539 YHXTYXSTYXHZIB-UHFFFAOYSA-N 369.472 3.962 30 40 FHEB Cc1cccc(OCc2nnc(SCC#N)n2Cc2ccccc2)c1 4169203 KPOUMXMCWNLXPI-UHFFFAOYSA-N 350.447 3.830 30 40 FHEB Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C#N)c1C 36619166 AQAFXXWUEMCQGQ-UHFFFAOYSA-N 374.429 3.594 30 40 FHEB O=[N+]([O-])c1cccc(/C=N\c2ccccc2I)c1O 110792900 HRIBLUPCMVBEIO-NVNXTCNLSA-N 368.130 3.656 30 40 FHEB Fc1c(F)c(F)c(/C=N/c2ccccc2N2CCOCC2)c(F)c1F 3238742 MQMAYSLZVVCHPL-NUGSKGIGSA-N 356.294 3.969 30 40 FHEB C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cs1 10134372 UDELDPHUBGXDQA-UHFFFAOYSA-N 370.430 3.821 30 40 FHEB O=[N+]([O-])c1ccc(/C(O)=N/c2nc(SCc3ccccc3)n[nH]2)cc1 8855580 BZTNSXUYXNGBJR-UHFFFAOYSA-N 355.379 3.642 30 40 FHEB Cc1ccc2nc(Cl)c(/C=N/NS(=O)(=O)c3ccccc3)cc2c1 408726911 CVAZTHAFFWECOX-YBFXNURJSA-N 359.838 3.509 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1 1436529 LKCMREMLEOKTFK-OQLLNIDSSA-N 352.131 3.950 30 40 FHEB C/C(=C\c1ccccc1)[C@@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 135686677 SLMBFNKRZZTIAJ-AGZUHXBUSA-N 372.428 3.926 30 40 FHEB O=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 695320 RCCCXMBNGUFOJT-CAOOACKPSA-N 363.653 3.959 30 40 FHEB O=C(O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 708327 GNQRCMMRCGJTNZ-MEUCICPISA-N 374.849 3.946 30 40 FHEB CSc1c(C#N)c(NC(=O)c2ccc(F)cc2)nn1-c1ccccc1 1986988 FFKZWGISHTUUSK-UHFFFAOYSA-N 352.394 3.857 30 40 FHEB COc1cccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c1O 4713169 KIRPRSAUJXFGNB-RGVLZGJSSA-N 354.797 3.957 30 40 FHEB C=CCn1c[n+](CC(=O)c2ccc(Br)s2)c2ccccc21 4797407 BPCKTMYBIIZWIM-UHFFFAOYSA-N 362.272 3.822 30 40 FHEB C=C(Br)Cn1c(=O)n(CC(=C)Br)c2ccccc21 1926939 KXMRURNEAABCTF-UHFFFAOYSA-N 372.060 3.620 30 40 FHEB C=CCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21 2295445 HMCFGJJWPQQLPJ-UHFFFAOYSA-N 357.417 3.913 30 40 FHEB CCN1C(=O)/C(=C\Nc2ccccc2)S/C1=N/Nc1nc(C)cs1 104302447 BAXTZWDZUGYMHF-OAAPSQRLSA-N 359.480 3.683 30 40 FHEB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(C#N)cc1 3448204 ZYWJGJNPMWHCLS-UHFFFAOYSA-N 355.825 3.621 30 40 FHEB Cc1cc(C)c2cc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)[nH]c2c1 9256999 FMHUXUQAHLDKKM-UHFFFAOYSA-N 367.449 3.626 30 40 FHEB CN(Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3)C1CCCCC1 9912944 JRXRACGFGQMNQW-UHFFFAOYSA-N 370.522 3.625 30 40 FHEB O=[N+]([O-])c1cccnc1N/N=C/c1c[nH]c2ccc(Br)cc12 409088414 LQEVLUJJWPNUPH-QGMBQPNBSA-N 360.171 3.680 30 40 FHEB CC(C)C[C@H](N/C(O)=N/CC(c1ccccc1)c1ccccc1)C(=O)O 82076664 VODJOHQYDIEASZ-IBGZPJMESA-N 354.450 3.821 30 40 FHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)cc3C)C2=O)s1 136463401 GUIRGMBAZWLNAZ-FOCIWHPXSA-N 359.476 3.835 30 40 FHEB N#Cc1cnn(C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1N 60470848 PTMIZEIXGYGTNO-UHFFFAOYSA-N 358.829 3.757 30 40 FHEB COc1ccc(Cl)cc1C1=NOC(=O)/C1=C\c1ccc(N(C)C)cc1 12414016 QQMNFJLETZXDBP-YBEGLDIGSA-N 356.809 3.759 30 40 FHEB Cc1ccc(/C=N/Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])o1 4356637 RZVKNDZNDWROBG-UBKPWBPPSA-N 358.232 3.869 30 40 FHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2ccccc2oc1=O 3911094 JYWUMORVNVBMKT-CMDGGOBGSA-N 366.369 3.715 30 40 FHEB biogenic C=CCn1c(SC[C@@H]2CCCCO2)nc2sc(CC)cc2c1=O 3318893 BQSOLAPQSKWPCN-LBPRGKRZSA-N 350.509 3.868 30 40 FHEB N#Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 3325647 IAVUGMBLCWYJGG-UHFFFAOYSA-N 359.351 3.539 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1Cl 3345568 UXLMRQCFMIBCTJ-UHFFFAOYSA-N 369.837 3.523 30 40 FHEB Oc1c(Br)cccc1/C=N/C[C@@H]1CCCN2CCCC[C@H]12 4026311 NICFMMXVUWIJMR-LOLXLMDRSA-N 351.288 3.838 30 40 FHEB biogenic N#CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 7787039 LACJJSRZOXKKQZ-UHFFFAOYSA-N 357.218 3.697 30 40 FHEB CC[C@@H](C)Nc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 8326054 ANTCOGUYTRQVMC-ABZNLYFFSA-N 357.410 3.953 30 40 FHEB C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1C1CCCCC1 8983221 SYLGAWIHVUVSTL-INIZCTEOSA-N 356.495 3.831 30 40 FHEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1cccc([N+](=O)[O-])c1 12428869 JVYWSMSDPZECQQ-ZROIWOOFSA-N 373.162 3.702 30 40 FHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2O)C[C@@H]1c1ccc(OC)cc1 34600538 DXKGQBZQPLPKPY-NQIIRXRSSA-N 366.413 3.720 30 40 FHEB C[C@H]1CC[C@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 95996097 GDIKYKHXTOMNAY-ZFWWWQNUSA-N 369.421 3.754 30 40 FHEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 106695842 HYKGVCOFFKARPN-BOPFTXTBSA-N 368.389 3.965 30 40 FHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224753617 IDECPEGFVXEUKE-UHFFFAOYSA-N 370.789 3.769 30 40 FHEB C=CCN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409065995 LHONAWJKPSZYNX-XYOKQWHBSA-N 354.225 3.680 30 40 FHEB NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 681084 PVVFOBYIGCGWRW-UFWORHAWSA-N 354.262 3.740 30 40 FHEB COc1ccc(C(=O)/C=C/N2CCc3cc(O)c(OC)cc3[C@H]2C)cc1 2110399 CLJHHIMFBPOUKU-CFRMROPGSA-N 353.418 3.725 30 40 FHEB biogenic N#Cc1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc1Cl 2726644 NXYADIIYHIOWEX-UHFFFAOYSA-N 351.837 3.939 30 40 FHEB Fc1c(F)c(F)c(/C=N/Nc2cc(N3CCCCC3)ncn2)c(F)c1F 5003231 YIHJJZXSLUUCNF-HCBMXOAHSA-N 371.313 3.608 30 40 FHEB Fc1ccccc1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 5626432 CMSGOLJYRCSSDS-RGVLZGJSSA-N 364.409 3.645 30 40 FHEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9233765 WWOOGJHGYNKGIS-MRXNPFEDSA-N 350.418 3.551 30 40 FHEB CCN(C)[C@@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 95461492 DRZKUDNSXNLTML-LJQANCHMSA-N 372.490 3.514 30 40 FHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)C(=O)O1 102500261 YCWNWTIWLGLHOX-FYCOFBDGSA-N 373.817 3.692 30 40 FHEB COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)o3)cc2)cc1 216779343 PYBVBPHXNYXVHC-UHFFFAOYSA-N 354.387 3.628 30 40 FHEB COc1cc2c(cc1OC)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)N2 223737231 HCCACOAZMCOVNI-UHFFFAOYSA-N 366.204 3.779 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C2\[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)cc1 6487380 KMLJCDIFQNRJOC-TZZKGHDJSA-N 354.475 3.843 30 40 FHEB N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccccc1)N1CCOCC1 27745074 KESDTTSPTFILSB-HXUWFJFHSA-N 374.444 3.699 30 40 FHEB C=CCSc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 3400178 VEJBDBWYUVZJQI-UHFFFAOYSA-N 370.297 3.760 30 40 FHEB N#Cc1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCCCC2 3900126 FYJSSXZPCOWMAI-UHFFFAOYSA-N 359.476 3.999 30 40 FHEB CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 39990636 WEEKBBVLQCUTSR-FQEVSTJZSA-N 367.518 3.942 30 40 FHEB CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccc(C)c(C)c1)C2 9419233 KJRXGTITKHQJPH-UHFFFAOYSA-N 368.462 3.730 30 40 FHEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409068757 VDDBNPIITFOJHL-CIAFOILYSA-N 355.390 3.899 30 40 FHEB Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 7702498 OFURCKVDXOXEHT-IBGZPJMESA-N 368.483 3.996 30 40 FHEB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 8130941 MQYABUDAACPFIB-CQSZACIVSA-N 355.413 3.555 30 40 FHEB CN1c2ccccc2C(=O)N2CCc3c(n(CCC#N)c4ccccc34)[C@@H]21 1772715870 DKBNPFHMQJDHEB-OAQYLSRUSA-N 356.429 3.702 30 40 FHEB N#Cc1cccc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)n1 1775995296 MKZIZUZGSRNFIS-UHFFFAOYSA-N 362.355 3.662 30 40 FHEB O=c1c(Br)c(N/N=C/[C@H]2CC=CCC2)cnn1-c1ccccc1 1276517 LORWOLWJXSRZSG-MDBUFAAASA-N 373.254 3.749 30 40 FHEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1c(Cl)ccc2c1OCO2 5600668 UVWUXGJDHPNDQF-RIYZIHGNSA-N 358.806 3.960 30 40 FHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 102623359 WOQNFIGANJVPAY-WOOAAIBNSA-N 365.429 3.917 30 40 FHEB COc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 6673705 VHTJUCJRFIBUMY-KRWDZBQOSA-N 355.463 3.767 30 40 FHEB CCOc1ccc(/C=N/OCc2nc3ccccc3nc2C)cc1OC 14124209 MKTSNNOAVBVDRZ-CIAFOILYSA-N 351.406 3.896 30 40 FHEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(SC(F)F)cc2)c1 47194870 FXDVUNMKTFVMFD-UHFFFAOYSA-N 374.412 3.693 30 40 FHEB N#CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 66343164 RNMNTSXMTYWKCV-INIZCTEOSA-N 352.413 3.540 30 40 FHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1 100765431 VQGQUXXOHUOLRP-OALUTQOASA-N 365.448 3.852 30 40 FHEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccccc3O)Nc3ccccc3N2)C(=O)O1 102442724 XDOYWLNHXJEQNF-TXCMAPRMSA-N 362.385 3.645 30 40 FHEB CCCCCCCCSCCOC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 104161911 KNFNYSLYXVWHQC-VGWMRTNUSA-N 358.500 3.502 30 40 FHEB N#Cc1c(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc2cc(Cl)ccn12 553213128 MPRLTHPZKGBSGI-BMIGLBTASA-N 372.778 3.755 30 40 FHEB C#CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(C)(C)OC3 2262026 DTNIDLCIUBHMSS-UHFFFAOYSA-N 360.504 3.611 30 40 FHEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4776966 MXECBZLIJPOJEN-YWZLYKJASA-N 360.392 3.833 30 40 FHEB Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc[nH]3)o2)c1C#N 10796862 WXZPZTNTWKZEMD-UHFFFAOYSA-N 362.418 3.723 30 40 FHEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 15016100 DFBCRGBYBJYDRL-PFONDFGASA-N 369.833 3.862 30 40 FHEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N/Nc1ccccc1[N+](=O)[O-] 17429736 DVOXHQUGCQWNED-UHFFFAOYSA-N 351.149 3.670 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 19315216 GMMXRBKMKLBEGT-SFHVURJKSA-N 355.434 3.616 30 40 FHEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20060621 QASLTCMLRFVYMB-FYJGNVAPSA-N 367.430 3.642 30 40 FHEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 31960611 IGCSJRFOTWRYFL-UHFFFAOYSA-N 354.431 3.527 30 40 FHEB CCCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OC 96193671 ICFTWLARMCCJNR-WDZFZDKYSA-N 354.200 3.563 30 40 FHEB O=C(OCC(F)(F)[C@@H](F)C(F)(F)F)OCC(F)(F)C(F)(F)F 169795656 FXFKLBUDNZVTJH-GSVOUGTGSA-N 358.103 3.873 30 40 FHEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)N1CC 408781780 DRPMCXSOISWBKE-WQZDFCHPSA-N 354.479 3.801 30 40 FHEB CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(Cc1ccc(C#N)cc1Cl)[C@@H]3C2 615172358 MGQJUXXMYOCWLI-QGPMSJSTSA-N 364.898 3.552 30 40 FHEB C[C@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3F)N2C1=O 1407018 FTSPFNIYQMEXCJ-BMLIUANNSA-N 364.401 3.808 30 40 FHEB O=[N+]([O-])c1cccc(/C=N/N=C(/Nc2ccccc2)c2ccccn2)c1O 1958581 UTYHHJZJVYFJLE-FYJGNVAPSA-N 361.361 3.588 30 40 FHEB CC(=O)n1nc(C)c(Br)c1C(F)(F)C(F)(F)C(F)(F)F 2379351 DMGMSKPXQRRFKD-UHFFFAOYSA-N 371.050 3.904 30 40 FHEB CC(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738547 STTCSXQUCAZWBA-ZTBJCTOSSA-N 367.380 3.551 30 40 FHEB Cc1cc(O[C@H](C)/C(O)=N/Cc2ccccn2)c2c(C)cc(=O)oc2c1 5322677 OWYCCKQAXBCYIR-CQSZACIVSA-N 352.390 3.729 30 40 FHEB CC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 9303026 MDFDEFGCSPMYBK-YYLUKMIBSA-N 362.381 3.978 30 40 FHEB N#Cc1c(NC(=O)CCSc2nncs2)sc2c1CCCCC2 11676332 LTOAIXZMHDIDQS-UHFFFAOYSA-N 364.521 3.861 30 40 FHEB O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc2[nH]c(=O)[nH]c2c1 12795996 GYUXUDUAOBXYJL-QHHAFSJGSA-N 361.170 3.654 30 40 FHEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3c(C)cccc3C)S2)cc1 15231743 RSVCNSSIEDEDGB-INIZCTEOSA-N 367.474 3.860 30 40 FHEB CSc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608324 PNUDYMLODGJNLJ-QLJPJBMISA-N 372.519 3.990 30 40 FHEB N/C(=N/OCc1ccc(Cl)s1)c1ccc(N2CCCCC2)nc1 58498603 BCDIQXSENXYHBO-UHFFFAOYSA-N 350.875 3.624 30 40 FHEB CC1=C/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C1=O 96486170 FCVCYXFFXXFOJA-NMWGTECJSA-N 357.413 3.748 30 40 FHEB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 331975884 MLEKGWKSKPMGMJ-OXQOHEQNSA-N 356.466 3.523 30 40 FHEB COc1cc(/C=N/Nc2nc3cc(Cl)ccc3[nH]2)cc(OC)c1OC 4855363 ZCQMEGXGDYFKDW-DJKKODMXSA-N 360.801 3.688 30 40 FHEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 6477858 FAFMDNUQEIAIBP-UHFFFAOYSA-N 371.491 3.627 30 40 FHEB COc1ccc(Cl)cc1/C=C\C=N\NS(=O)(=O)c1ccc(C)cc1 8637480 ITYQUAAVXBAENZ-CHIYZVDOSA-N 364.854 3.635 30 40 FHEB N#Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 12888214 GXNREGOGDVDFLJ-UHFFFAOYSA-N 360.442 3.830 30 40 FHEB COc1ccc(C)cc1S(=O)(=O)Nc1sc2c(c1C#N)CCCC2 28249082 BWZOVDIFVCJBPU-UHFFFAOYSA-N 362.476 3.616 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(F)cc2cccnc12 31607974 LKBSRPCRNCWUQJ-MFOYZWKCSA-N 358.438 3.906 30 40 FHEB N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 78758205 WYVIJGMIBKKDGL-JKSUJKDBSA-N 373.225 3.880 30 40 FHEB CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1CC=CCC1 96031329 JLKIQERNEYLJLA-KNQAVFIVSA-N 361.526 3.543 30 40 FHEB in-vitro Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 97941888 DEBUEDAIOKGCGG-UHFFFAOYSA-N 360.201 3.858 30 40 FHEB CCOc1c(OC)cc(C#N)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408581000 FWAAGWJTQSADJP-UHFFFAOYSA-N 373.792 3.659 30 40 FHEB C=CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)cc1 1705846297 ZMAVUUPWLQOMEF-UHFFFAOYSA-N 353.857 3.588 30 40 FHEB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N 3104735 LZGKGRXEIADYRD-UHFFFAOYSA-N 369.229 3.521 30 40 FHEB COC(=O)c1c(Cl)ccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 79071850 ZKEMXYJNTKFSMT-GFCCVEGCSA-N 372.808 3.713 30 40 FHEB C/N=C1\S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1C 9264538 GWPYTXZHYRTKIW-KDWIEBRMSA-N 368.506 3.692 30 40 FHEB C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 2334251 QPAYZNHQERKMKK-UHFFFAOYSA-N 350.370 3.876 30 40 FHEB biogenic C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccco1 2336063 BJCWYBPZDRUVRC-UHFFFAOYSA-N 354.435 3.763 30 40 FHEB O=C1C(Cl)=C(NCC[C@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21 104232745 KHKZPCAJCDWDIV-RHSMWYFYSA-N 372.896 3.760 30 40 FHEB N#Cc1ccccc1N1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 46848855 MRBZVSJSKOFIRP-UHFFFAOYSA-N 371.843 3.632 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1cccnc1 4075121 DIGBTGWZFZNKPY-LJQANCHMSA-N 371.444 3.998 30 40 FHEB N#CC1(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 6485711 IBNMYFNIGBDXSE-UHFFFAOYSA-N 364.401 3.588 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 7049458 NZPZQYOVVBLYSL-AWEZNQCLSA-N 357.454 3.848 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1 27390700 LHJKCDDNTMQGTF-UHFFFAOYSA-N 368.433 3.652 30 40 FHEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)c1ccc(C(C)(C)C)cc1 70038253 BLTDZRWDDHIDQU-UHFFFAOYSA-N 360.479 3.666 30 40 FHEB CCOc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)ccc1O 12895108 QQQUKHRVTWGFOB-CSKARUKUSA-N 351.402 3.814 30 40 FHEB C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC 3662695 SBMYQDMYJZOPGT-VBKFSLOCSA-N 372.490 3.650 30 40 FHEB CCOc1ccc(/C=N\n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 2695851 VBSOPLCTKKGXDL-UNOMPAQXSA-N 354.435 3.897 30 40 FHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 6466245 MAJHSNBKLUMKGT-ZIAGYGMSSA-N 362.385 3.621 30 40 FHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(O)c(Cl)c1 24506196 FNADQPLNASGSCV-UHFFFAOYSA-N 353.727 3.846 30 40 FHEB O=C(/C=C1/NCCc2cc3c(cc21)OCCCO3)c1cccc(Cl)c1 101370648 FQNTUNXXOHNNQC-SFQUDFHCSA-N 355.821 3.871 30 40 FHEB C=CCO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 58316624 WGESKKHZILATMK-ZDUSSCGKSA-N 368.462 3.740 30 40 FHEB Cc1sc2ncnc(SCC(=O)Nc3sccc3C#N)c2c1C 2679233 WNDWQMYUQLGZHQ-UHFFFAOYSA-N 360.489 3.972 30 40 FHEB Cc1oc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C 12816261 HOAOSOGVVPMHDS-UHFFFAOYSA-N 365.355 3.857 30 40 FHEB CCOc1ccc2c(c1)/C(=N/N=C1\C[C@H](c3ccccc3)N=N1)C(=O)N2C 4184947 LTSMYVCXOYZSDC-GTKRGHOYSA-N 361.405 3.762 30 40 FHEB C=CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OCC 409087121 GKACIDHIXZILTH-LGMDPLHJSA-N 370.449 3.876 30 40 FHEB O=C(/C=C/c1cc(O)c(O)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 7325178 CPLJBDYDXPNEBA-FPYGCLRLSA-N 357.793 3.774 30 40 FHEB C=CCc1cc(/C=N/c2cccc(C(C)=O)c2)cc(OC)c1OCC(=O)O 408846503 NSBRBRJTWKGQCG-WSDLNYQXSA-N 367.401 3.840 30 40 FHEB C=CCN(c1cccc(NC(=O)c2ccc(C)cc2C)c1)S(C)(=O)=O 225056771 MJQJLGRGRKUMCR-UHFFFAOYSA-N 358.463 3.508 30 40 FHEB Cc1ccc(S(=O)(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1 14611440 BKNSDBYJUGNUDL-UHFFFAOYSA-N 352.280 3.596 30 40 FHEB in-vitro O=[N+]([O-])c1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 5569055 UBYGSTJSVWMVEN-VIZOYTHASA-N 366.127 3.722 30 40 FHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 15162613 GSIFJTOVMZJUKV-QBEKEKFNSA-N 367.474 3.975 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 24050781 HBXIHMLVIXTNJZ-GFCCVEGCSA-N 371.510 3.566 30 40 FHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2 4944287 WGBLJFYZLMGXJZ-HNNXBMFYSA-N 363.442 3.675 30 40 FHEB CC(C)(C)OC(=O)N1CCCN(c2nc(-c3ccco3)ccc2C#N)CC1 22115467 LYCQZIIMWUEIPZ-UHFFFAOYSA-N 368.437 3.660 30 40 FHEB C=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCCC3 2221266 IKFWIWBSBSCIFT-UHFFFAOYSA-N 372.877 3.932 30 40 FHEB COc1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc(OC)c1 14086841 FOGKIXNMSKOACX-UHFFFAOYSA-N 369.446 3.822 30 40 FHEB COCCn1c(SCCC#N)nc2sc(-c3ccccc3)cc2c1=O 8757248 CAXQBVUERDGLMH-UHFFFAOYSA-N 371.487 3.777 30 40 FHEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@H]1COc2ccccc21 95974327 ZOILYAKJOJOCBF-DNVCBOLYSA-N 352.409 3.535 30 40 FHEB O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)Cc2ccccc21 409369462 OHZYRSYJDDWSAT-UXBLZVDNSA-N 360.163 3.885 30 40 FHEB O=C1C2=C(C(=O)c3ccccc31)C1(CCCC1)c1sc(=O)[nH]c1S2 32597829 AEKFTITXYMDCMA-UHFFFAOYSA-N 355.440 3.687 30 40 FHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccc(F)c1 409089970 PMBSCTOTVIONBM-SRZZPIQSSA-N 353.357 3.982 30 40 FHEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2nc3ccc(C)cc3s2)c1O 95116548 DPJRFZGKINPAOQ-CAOOACKPSA-N 358.379 3.673 30 40 FHEB C#CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1Br 15011378 LKPNEPWBIUTSHP-GXDHUFHOSA-N 354.203 3.954 30 40 FHEB N#Cc1ccc(CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 23510652 FFKZKXBNQCDOJQ-UHFFFAOYSA-N 362.351 3.748 30 40 FHEB Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 1093529 MTTMXINXJKCCLI-XDHOZWIPSA-N 361.239 3.742 30 40 FHEB C[S@](=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N 3104743 SADQDTDNTVDYGZ-JOCHJYFZSA-N 353.230 3.855 30 40 FHEB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(C[C@@H](C)CC1=O)N2 22608523 DGVQRGCIYICDLU-PIGZYNQJSA-N 370.478 3.667 30 40 FHEB N#CCCN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1 3235549 FKCQOYZYNZHTFX-UHFFFAOYSA-N 358.397 3.943 30 40 FHEB O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1c1ccccc1 3663438 OVQRISXFOYLSBF-MXVZNEBHSA-N 374.263 3.919 30 40 FHEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 100216209 OCKACAWHFDQREA-XKZIYDEJSA-N 368.433 3.517 30 40 FHEB CCN(CC)c1ccc(/C=N/OCC(=O)N2CCCc3ccccc32)cc1 5656686 SDFYIIAJHDVIAR-XQNSMLJCSA-N 365.477 3.863 30 40 FHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 18178187 YKXKZOBSRMVIIE-AWEZNQCLSA-N 359.838 3.588 30 40 FHEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 409137160 UGCOKWSYRNOSIQ-LPYMAVHISA-N 356.397 3.508 30 40 FHEB CC1(C)OB(C2CCN(c3ccnc4cc(F)cnc34)CC2)OC1(C)C 1776007593 ODQYMNSKSUWFRL-UHFFFAOYSA-N 357.238 3.832 30 40 FHEB N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)cc1 71890547 NDYTUSTUZDOSIT-QFIPXVFZSA-N 365.521 3.951 30 40 FHEB N#Cc1c(Cl)nsc1NCc1cccc(C(=O)N2CCCCC2)c1 52073390 GXOMZVVLYHCYIV-UHFFFAOYSA-N 360.870 3.906 30 40 FHEB O=[N+]([O-])c1cc/c(=N/N=C(/c2ccccc2)c2ccc(Cl)cc2)[nH]c1 2045483 WLSJBRREDWTPSV-PYCFMQQDSA-N 352.781 3.930 30 40 FHEB CC(C)(C)c1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4391838 YJWNHRLZCSAASF-UHFFFAOYSA-N 355.394 3.564 30 40 FHEB Cc1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(C#N)c1C 24361678 ZKZKJWBEMXCFDH-CQSZACIVSA-N 353.447 3.766 30 40 FHEB C=CCc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 1054945 ULKAGRADDPCMMI-HZHRSRAPSA-N 361.445 3.972 30 40 FHEB CCN(C[C@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 47534132 UMNWUULZMDRNCB-GFCCVEGCSA-N 367.478 3.627 30 40 FHEB CC(C)C1=CC(=NOC(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(C)C)C1=O 3077283 LVRDUZYNBMHIPF-UHFFFAOYSA-N 356.378 3.855 30 40 FHEB C=CCNC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc12 2237740 RIUICBKEGOZGCC-UHFFFAOYSA-N 351.454 3.663 30 40 FHEB O=C1/C(=N\Nc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 100417200 HVEZWAPZUJJJKB-XKZIYDEJSA-N 350.275 3.559 30 40 FHEB N#C[C@@H](C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl 11692172 NCDISMGNCKMIBY-CQSZACIVSA-N 354.841 3.897 30 40 FHEB N#Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 14738150 UTYQNQIGRFWZJF-UHFFFAOYSA-N 356.179 3.950 30 40 FHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 5898441 VHXTZTNMLKOBLF-LPXFMOJISA-N 368.385 3.642 30 40 FHEB biogenic C=CCNC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 7065431 JEPJBUPXKPLGTM-AWEZNQCLSA-N 367.474 3.817 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222701253 QYBSMSAFVUDZOF-UHFFFAOYSA-N 358.438 3.613 30 40 FHEB CC1CCN(c2ccc(C(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])CC1 15311860 XIAIWHCPLLNICH-UHFFFAOYSA-N 364.405 3.955 30 40 FHEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccco1)n1ncnc1N2 16996469 PQHRQKQFDLZTQA-KPZWWZAWSA-N 366.808 3.940 30 40 FHEB O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 96793950 GNIURVKIGJJOQX-MRXNPFEDSA-N 359.721 3.541 30 40 FHEB Cn1/c(=N\N=C\c2cc(Br)ccc2O)sc2ccccc21 100812892 OMKHBFPPMYCSQH-LMVCELQXSA-N 362.252 3.643 30 40 FHEB O=C(/C=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1 4031498 NQZMLPXZOUHUOQ-FNORWQNLSA-N 362.223 3.775 30 40 FHEB CC[C@H](C(=O)/C=C1\NCCc2cc(OC)c(OC)cc21)c1ccccc1 5429088 QQFLSAGZQBEUBL-FJSNCCPHSA-N 351.446 3.953 30 40 FHEB biogenic C=CCNC(=S)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 5631255 VOQWUIWZVUJFST-UHFFFAOYSA-N 368.289 3.676 30 40 FHEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(C)cc2[nH]1 6505804 KDRNKUXDTUDEMX-UHFFFAOYSA-N 372.475 3.856 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1O 7165084 MWMPGEXMSPFKMN-YBEGLDIGSA-N 354.431 3.909 30 40 FHEB C/C(=N\C(=N)Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)O 13623531 MYOCWKJGARYFFI-WSDLNYQXSA-N 361.405 3.801 30 40 FHEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccccc2F)o1 50679398 ZRTAJDZKXQJLFL-OAHLLOKOSA-N 354.381 3.857 30 40 FHEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(O)/C=C/c1ccc(Cl)cc1 58150873 MZXFBXHGNFOIAH-XBXARRHUSA-N 371.245 3.888 30 40 FHEB O=C1/C(=N/Nc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1 100005899 XVXCJDGUTVNNMM-BSYVCWPDSA-N 356.385 3.611 30 40 FHEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21 223738119 KZYKXFFSIPGICI-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc(OC)c1OC 35851617 IBCASAMHMVDEHM-UHFFFAOYSA-N 367.449 3.887 30 40 FHEB Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C 4675527 ANTRQWBHHBBJGG-RGVLZGJSSA-N 370.796 3.797 30 40 FHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 18197377 UYKUWYUJIRPQRY-BBATYDOGSA-N 366.421 3.894 30 40 FHEB O=C(O)c1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 409095033 GLKBHVQCUYYINN-FRKPEAEDSA-N 365.139 3.512 30 40 FHEB Cn1ncc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1C#N 567956915 DGQRUUBARRGESL-UHFFFAOYSA-N 363.248 3.618 30 40 FHEB CC/N=C1/S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC 5792233 RHJGSCJXSISQBL-SXFBWKAHSA-N 368.506 3.855 30 40 FHEB Cc1ccnc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)c1 5574741 GZGGVORJEKARLC-UHFFFAOYSA-N 357.460 3.699 30 40 FHEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@](C#N)(c1ccccc1)C2 751973 HKLVYGDGAFHARS-FQEVSTJZSA-N 368.458 3.833 30 40 FHEB COc1ccc2nc(SCC(=O)Nc3ncc(C)s3)c(C#N)cc2c1 917560 MDVXSYVYBKMJHN-UHFFFAOYSA-N 370.459 3.611 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 933890 SRMCSEJJMFIXHH-GUYCJALGSA-N 369.490 3.902 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1 1354798 BHWKAGPINRGWJK-UHFFFAOYSA-N 364.426 3.951 30 40 FHEB N#Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4578371 IGOFNCWSZSIRGA-DAFNUICNSA-N 365.396 3.777 30 40 FHEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2 4646566 BJRKVCNTDTWVOA-KBPBESRZSA-N 358.463 3.884 30 40 FHEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1OC 5376477 NFLYDTABRLWCIK-YBEGLDIGSA-N 358.394 3.735 30 40 FHEB Cc1cc(C)c(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)c1 5534737 QAJRWPUABJQUPZ-UHFFFAOYSA-N 368.502 3.858 30 40 FHEB CC/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 5563693 CBPLVKCMVOQJCC-XDOYNYLZSA-N 357.885 3.978 30 40 FHEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 10303350 HGMKSODHZJBUDL-UHFFFAOYSA-N 356.476 3.923 30 40 FHEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 15512035 SUKZATFJXWBNKZ-QGZVFWFLSA-N 355.397 3.703 30 40 FHEB COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 32908269 PTJLDAGPCKNCQD-UHFFFAOYSA-N 356.447 3.697 30 40 FHEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084900 YMHAKCXTIWYNPI-HKWRFOASSA-N 365.216 3.906 30 40 FHEB COc1ccccc1/C(N)=N/OCc1coc(-c2ccccc2Cl)n1 64387865 MTVYXFNLPPYIOR-UHFFFAOYSA-N 357.797 3.841 30 40 FHEB N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67062554 IEAPXMRATWBVEH-SFHVURJKSA-N 373.815 3.634 30 40 FHEB Cc1ccc(-c2nc(C)c(C(=O)N[C@]3(C#N)CCSC3)s2)c(C)c1 69118750 ALCOIJJLFPJZNH-SFHVURJKSA-N 357.504 3.864 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@]132 72330324 AWARIKSVYAKVLG-GDTQVEOYSA-N 361.526 3.634 30 40 FHEB O=C(NCC#Cc1ccccc1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89821632 OSIRNNJTCXFAFA-SFHVURJKSA-N 373.239 3.654 30 40 FHEB COc1ccc2c(c1)CC/C(=C1\Nc3ccc(Cl)cc3NC1=O)C2=O 104238109 WKUUUXXIJVWHDE-SAPNQHFASA-N 354.793 3.796 30 40 FHEB CCCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCCCC1 225852933 JOFXIEDXMPDSFP-UHFFFAOYSA-N 358.438 3.942 30 40 FHEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)cc([N+](=O)[O-])c1O 408692231 HVGTUJHKDRRPCU-YBFXNURJSA-N 369.381 3.515 30 40 FHEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 409104427 ZOWGNNLKRJXDQX-DVUKBREOSA-N 367.474 3.808 30 40 FHEB N#Cc1ccc(-n2nccc2NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)cc1 597228096 CZMAMGFBGVFZJB-MAUKXSAKSA-N 356.376 3.898 30 40 FHEB CC(=O)Nc1ccc(/N=C/c2ccc(I)o2)cc1 681021 XYSVENHXSBBFMU-OVCLIPMQSA-N 354.147 3.593 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 2263687 HQJOAVHLFQGPKP-MHWRWJLKSA-N 367.382 3.623 30 40 FHEB COc1cc(/C=N/OCc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 3320843 AKMAQUJYYIAEEV-DJKKODMXSA-N 352.293 3.756 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)c(C)c1 5376841 LWHBAHKNWNJTQG-YBEGLDIGSA-N 352.415 3.893 30 40 FHEB N#Cc1ccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 5970866 FLQDQLIUWHRWKA-UHFFFAOYSA-N 363.417 3.546 30 40 FHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2 9359167 RHDFSFOXMIXPND-YWZLYKJASA-N 360.392 3.833 30 40 FHEB N#Cc1c(NC(=O)CSc2nncn2C2CC2)sc2c1CCCCC2 11720752 SHMCUJSXGYXUOF-UHFFFAOYSA-N 373.507 3.546 30 40 FHEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 14359562 WIAUXVMZNRSWAF-GIJQJNRQSA-N 350.758 3.816 30 40 FHEB O=S(=O)(/N=C(\NCc1ccccc1)c1ccccc1)c1ccc(F)cc1 16779359 MZXACEMDJTWGEF-UHFFFAOYSA-N 368.433 3.751 30 40 FHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc(Cl)c1 18283806 MONYWSVACBEMIC-AWEZNQCLSA-N 359.838 3.588 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 20034890 QXAQFUZFDJICML-AWEZNQCLSA-N 370.474 3.730 30 40 FHEB CCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608344 ATORFYNNJGJSNH-APPDUMDISA-N 370.478 3.667 30 40 FHEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCOc1ccc(Cl)cc1 46085217 LRXHYDIAJKHNKQ-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)CC(F)(F)F 70920580 FQDKMLMZQQHZRW-LBPRGKRZSA-N 352.312 3.510 30 40 FHEB C[C@@H](OC(=O)CC[C@@H]1CCCO1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862124 YADRXVKJWWQTAI-METDLLNWSA-N 371.477 3.758 30 40 FHEB N#CCCSc1ccccc1NC(=O)C[C@H]1OC(=O)c2ccccc21 95953409 KXRXASAWESBAGK-MRXNPFEDSA-N 352.415 3.933 30 40 FHEB C#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 95961239 GTWLHLWUABNKNH-UHFFFAOYSA-N 363.392 3.893 30 40 FHEB C#CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(OCC)c21 100909894 MYULGQNWCTXQPA-VZCXRCSSSA-N 354.406 3.615 30 40 FHEB CC1(C)OB(c2cc(-c3ccccc3)nn2[C@@H]2CCCCO2)OC1(C)C 575157506 NOOWOXIDDJFPBH-SFHVURJKSA-N 354.259 3.548 30 40 FHEB CC(C)(C)C(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccc(C#N)c3)C2)C1 2055803785 UOKSQFZBKMXSDZ-LJQANCHMSA-N 361.436 3.668 30 40 FHEB CC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2404023 IAWYJEAIMIZEHT-UHFFFAOYSA-N 352.637 3.848 30 40 FHEB N#C/C(=N/Nc1cccc(C(F)(F)F)c1)c1nc(O)c2ccccc2n1 4701711 GATZMYJYTPPUTF-QFEZKATASA-N 357.295 3.694 30 40 FHEB C=CCN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccccc1 7229750 LUXLUHFKDNNOAU-UHFFFAOYSA-N 364.474 3.887 30 40 FHEB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)cc1 9984448 LHBOELJMARQNRK-IZZDOVSWSA-N 374.440 3.702 30 40 FHEB Cc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1[N+](=O)[O-] 12528015 ZEZOJRLLCNETSJ-UHFFFAOYSA-N 357.369 3.950 30 40 FHEB C#Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 95951178 CQIKKADFTBUPNV-UHFFFAOYSA-N 357.291 3.989 30 40 FHEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCC 103742462 IOCDDIXQYPIUNC-IZZDOVSWSA-N 354.200 3.563 30 40 FHEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)N1C 408929025 GMLWDHMVOUKAEJ-ABFYXFRKSA-N 370.434 3.534 30 40 FHEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccccc3C#N)o2)c1C#N 409006790 LAAJOLUCRYGPQA-WYMPLXKRSA-N 371.400 3.986 30 40 FHEB O=C(OC1=C(Br)C(=O)c2ccccc2C1=O)c1ccccc1 1717535 AYPOZZQDFDPAQG-UHFFFAOYSA-N 357.159 3.529 30 40 FHEB CCOc1ccccc1NC(=O)CSc1nc(C)cc(COC)c1C#N 6936083 SKRJGBMVSOXEBR-UHFFFAOYSA-N 371.462 3.538 30 40 FHEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658108 YVEXKOLTDDJUNU-BXYJTDFISA-N 357.494 3.522 30 40 FHEB biogenic Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccccc1 408592534 ZAFKKXHGKQPSAU-KXUDFYASSA-N 373.456 3.625 30 40 FHEB COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1 4481663 YVVJADWXBOPZND-JZJYNLBNSA-N 354.362 3.809 30 40 FHEB O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccc(F)cc1 14354321 NJKSJIYGVUAODN-UHFFFAOYSA-N 360.388 3.892 30 40 FHEB O=C1C[C@@H]2c3ccccc3CCN2C(=O)/C1=C/Nc1ccc(Cl)cc1 5668830 ZVPARHIXMDCHFW-XCMFGDQWSA-N 352.821 3.735 30 40 FHEB Cc1cc(=O)oc2cc(OCC(=O)Nc3sccc3C#N)c(Cl)cc12 16668208 PDYUXSSDVOCALP-UHFFFAOYSA-N 374.805 3.706 30 40 FHEB CCCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(OC)c(OC)c1 20196701 NEJKCDCHCROMMX-FYJGNVAPSA-N 373.409 3.525 30 40 FHEB N#Cc1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 8708687 QOHVMHQEBVOWCU-UHFFFAOYSA-N 358.800 3.921 30 40 FHEB COc1ccc(CN/N=C/c2ccc(OC(C)C)c(OC)c2)cc1OC 20196401 BLHQDFGVNRZEIR-LPYMAVHISA-N 358.438 3.623 30 40 FHEB O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccc(/C=N/O)o2)cc1 226306466 VHVQVRLONHELAH-YBFXNURJSA-N 360.366 3.695 30 40 FHEB CN(C(=NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 1889264635 WYRANDZRMSANKW-UHFFFAOYSA-N 366.442 3.664 30 40 FHEB COC(C[C@@](C)(O)C#CC[C@](C)(O)/C=C/C1=C(C)CCCC1(C)C)OC 4692566 IJDJVBPHFBCKAX-DMJAHJTRSA-N 364.526 3.974 30 40 FHEB COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 44027714 XCPGBZPPJPCBQO-BJMVGYQFSA-N 372.417 3.634 30 40 FHEB C[C@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1 57514095 YOXUBACEJRISCP-OAHLLOKOSA-N 351.475 3.939 30 40 FHEB C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 3253193 WDBQAPVWYVXBPB-HZHRSRAPSA-N 372.428 3.952 30 40 FHEB C=CCNc1nc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cs1 10136198 XZWCOOJZEKUULM-UHFFFAOYSA-N 359.451 3.534 30 40 FHEB C/C(=N\NC(=S)Nc1ccccc1C)c1ccc2c(c1)OCCCO2 13068769 SCWLLLJLJHYMJZ-KGENOOAVSA-N 355.463 3.867 30 40 FHEB N#Cc1c(-n2cccc2)sc2c1CCN(c1ccc([N+](=O)[O-])cc1)C2 4051967 PUZCWSZZLRHLMO-UHFFFAOYSA-N 350.403 3.881 30 40 FHEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)s1 14163768 JKLALTFWVWWTSA-UHFFFAOYSA-N 358.282 3.892 30 40 FHEB CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 6589785 CENCWRZNHWMTAP-GFCCVEGCSA-N 366.446 3.953 30 40 FHEB Oc1c(Cl)cc(/C=N/NC(=S)NCc2ccccc2)cc1Cl 4680494 XSTPKSHKFFMJCN-DJKKODMXSA-N 354.262 3.697 30 40 FHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1F 4739598 NVBHYZCYILVQNY-UFFVCSGVSA-N 353.357 3.982 30 40 FHEB Cc1cc2occ(CC(=O)OCC(=O)Nc3sccc3C#N)c2cc1C 5628000 MRNQEWBSQLCTFD-UHFFFAOYSA-N 368.414 3.707 30 40 FHEB N#Cc1c(SCCN2CCCC2)nc(N2CCCC2)c2c1CCCC2 6719969 ROVDGOTZMREVBD-UHFFFAOYSA-N 356.539 3.620 30 40 FHEB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 7122394 MQPBGYRUWWZZGO-AWEZNQCLSA-N 364.401 3.725 30 40 FHEB C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 13465902 LFGUOKSONBHVJF-WCUNLMCJSA-N 370.365 3.745 30 40 FHEB O[C@H](CNC1CCCCC1)CO/N=C1/CCSc2c(Cl)cccc21 17122241 QSXLOGLVOHQEID-GICLCMKGSA-N 368.930 3.840 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(OC)c3OC)S2)cc1 6136707 WBLSDXAXWKUDQQ-WJDWOHSUSA-N 370.430 3.604 30 40 FHEB N#Cc1ccc(OCCSc2nnc(COc3ccc(F)cc3)o2)cc1 11195505 DEVZJUKFFXJYPG-UHFFFAOYSA-N 371.393 3.830 30 40 FHEB CSc1ccc(/C=N/OCC(=O)N[C@H](C)CCc2ccccc2)cc1 3328847 WBJAISIXBMFWBM-ZFMLPXDISA-N 356.491 3.897 30 40 FHEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 4460955 JPFDQUXGLASESB-BWORXHKJSA-N 371.437 3.806 30 40 FHEB O=C(/C=C/c1cc2c(cc1C(=O)O)COCO2)c1cc(Cl)ccc1O 5749437 QAUAUXDGBFLDNC-HNQUOIGGSA-N 360.749 3.506 30 40 FHEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6032858 VTRUFSCFBTUTQA-NVMNQCDNSA-N 373.825 3.986 30 40 FHEB N#Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 6278095 AZZTULZANJKLIY-UHFFFAOYSA-N 357.417 3.795 30 40 FHEB CCCOc1ccc(/C=N/c2ccc(N3CCN(C)CC3)cc2C)c(O)c1 6651321 OQMMXJZXMCEEGF-XQNSMLJCSA-N 367.493 3.992 30 40 FHEB N#CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1 16841328 ALLWCTCJQORKBQ-UHFFFAOYSA-N 358.426 3.996 30 40 FHEB O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@@H]2CCc3ccccc32)ccc1Cl 35332209 QPWSYABODAIXIT-SMLKNPDNSA-N 374.853 3.734 30 40 FHEB N#Cc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3C#N)c2)cn1 49581402 JABBKLLERHWGCO-UHFFFAOYSA-N 364.412 3.587 30 40 FHEB N#CCOc1ccccc1C(=O)Nc1cnn(-c2ccccc2Cl)c1 106671203 YUYJCVASRRJBOT-UHFFFAOYSA-N 352.781 3.680 30 40 FHEB C=CCOc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225454975 FONZSKORYFFGEQ-UHFFFAOYSA-N 364.474 3.924 30 40 FHEB Cc1cccc(Cn2nc(OCc3ccc(Cl)cc3)c(C#N)c2N)c1 225845324 PPWNHPUPZVEJOR-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc2ccccc12 408739524 CLLIXSVSAWRLPU-KOWBDXASSA-N 373.437 3.606 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OC 409376935 CFUNRIAVECONFY-JAIQZWGSSA-N 362.813 3.737 30 40 FHEB N#CC1(CS(=O)(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CCCC1 574322354 OBIAUMCUOGIFBT-SFHVURJKSA-N 362.470 3.765 30 40 FHEB O=C1CCCC2=C1[C@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2 4737004 KWJRFJBYVQUZCR-ZDUSSCGKSA-N 370.281 3.597 30 40 FHEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c(OC)c1 4870669 VCJXFIOWKVEYNF-LJQANCHMSA-N 367.401 3.501 30 40 FHEB C=CCNC(=S)N/C=C(\c1ccccc1)[S@@](=O)Cc1ccccc1 5855626 LRDZDMAGNZCXSS-YLJZTEMXSA-N 356.516 3.584 30 40 FHEB CCOC(=O)c1sc(NC(=O)Cn2ccc3ccccc32)c(C#N)c1C 6026554 TYMLAEIACBRVCK-UHFFFAOYSA-N 367.430 3.698 30 40 FHEB Cc1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)c(C#N)c1C 8332680 AOGOOJNSVSCZPF-UHFFFAOYSA-N 369.475 3.548 30 40 FHEB C=CCSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12391393 HIXATSMTLNAXQG-UHFFFAOYSA-N 357.870 3.898 30 40 FHEB C=C1[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C 12559447 GWZQTOHOERXPOC-YKTUVVHCSA-N 372.468 3.744 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)no1 13127649 SXZJKCLGIIVLHL-INIZCTEOSA-N 366.398 3.827 30 40 FHEB C=CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(C(=O)OC)ccc21 100874196 CKFHYZYXNAJCDJ-VZCXRCSSSA-N 370.405 3.556 30 40 FHEB Cc1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(C#N)c1C 105589725 OHEGAOMRKBLJMZ-UHFFFAOYSA-N 365.462 3.956 30 40 FHEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1 223737642 QZHHSSYEKKRTML-FXBPSFAMSA-N 357.866 3.927 30 40 FHEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cccs1 225139531 VJMJAKAMPMMHDC-UHFFFAOYSA-N 371.867 3.569 30 40 FHEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 257331734 XUAOJOLRPYOTQY-QFIPXVFZSA-N 369.436 3.895 30 40 FHEB N#C[C@H]1CCCN(Cc2ccc(Br)c(Br)c2)C1 1144211796 JQXOHXUXXDUBPU-LLVKDONJSA-N 358.077 3.947 30 40 FHEB COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C/c2ccc(C)o2)C1=O 1405413 XWDZYKKARNYPGC-NTEUORMPSA-N 359.378 3.881 30 40 FHEB N#Cc1cccc(COC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 26243337 BKPMVPAKAWUKAZ-UHFFFAOYSA-N 351.793 3.813 30 40 FHEB N#Cc1cccnc1NCCNC(=O)Nc1ccc(OC2CCCC2)cc1 57991599 GENTXQALIXFFDB-UHFFFAOYSA-N 365.437 3.508 30 40 FHEB C[C@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)Cc1ccccc1Cl 58497870 VIRWPFIQWZZAHF-AWEZNQCLSA-N 371.868 3.539 30 40 FHEB CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)cc2OC)cc1 2270166 IFGPAUYOBPWPHN-VAWYXSNFSA-N 355.390 3.689 30 40 FHEB CCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 58712886 LYLIAUAGKBYQNZ-AWEZNQCLSA-N 366.417 3.561 30 40 FHEB O=c1[nH]cccc1/C(O)=N/c1nc2ccc(OC(F)(F)F)cc2s1 28835777 OHCHODPWMYGIOY-UHFFFAOYSA-N 355.297 3.520 30 40 FHEB C=CCc1ccccc1OCc1cc(=O)n2c3c(sc2n1)CCCC3 20859114 OPZNRJGDEASPJE-UHFFFAOYSA-N 352.459 3.942 30 40 FHEB Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 2751938 MSIIDSZEEOXIFR-UHFFFAOYSA-N 368.384 3.893 30 40 FHEB CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccco3)c2CS1 13763487 LSBBNIYVUQHPME-UHFFFAOYSA-N 355.463 3.618 30 40 FHEB C=CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 4511015 RQVAODSZPKRKIX-CIAFOILYSA-N 359.882 3.903 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 5490625 RBPJPLWDPXAXBC-LJQANCHMSA-N 374.396 3.762 30 40 FHEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)[C@@H](C#N)C(=N)O2 4859693 JKNAEKWEAVBGFU-MJGOQNOKSA-N 358.401 3.587 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccccc1 5888569 XKZCGFUZTXRXIQ-INIZCTEOSA-N 362.410 3.926 30 40 FHEB Cc1ccc(-c2cc(C(=O)OCc3cn4ccccc4c3C#N)n[nH]2)s1 84205742 VURNOPFVOKTCJJ-UHFFFAOYSA-N 362.414 3.928 30 40 FHEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)ccc1OC 33702609 RMRWPQNAELPLDJ-MTJSOVHGSA-N 356.422 3.700 30 40 FHEB CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC(=O)[C@]3(S)[C@@]2(C)CC1 4706027 AQIYOMKPFQCODB-NHUSPQTBSA-N 374.502 3.807 30 40 FHEB biogenic,in-vitro Cc1cccc(COc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)c1 225840440 LBDWNODTGFXCQF-UHFFFAOYSA-N 352.825 3.926 30 40 FHEB CCN(CCC#N)c1ccc(CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(C)c1 12691710 ZFCFQLJCPKEUQI-HTAPYJJXSA-N 367.493 3.652 30 40 FHEB C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\c1nccs1 13496539 PIHOWQJICAPRGD-ZDFMDHJUSA-N 357.460 3.942 30 40 FHEB CC(C)c1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)c(C#N)cc2c1 15935913 PVJTWQCZQKEYPS-KRWDZBQOSA-N 369.490 3.617 30 40 FHEB Nc1nc(N)c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 17418878 VSLWSTSTUSVHGC-YJXKLHOCSA-N 360.377 3.632 30 40 FHEB C=CCc1cccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc12 783455 ANSWVWYGMLPFQQ-UHFFFAOYSA-N 365.385 3.791 30 40 FHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)NC2=O)c(C)c1 13896116 GUHBLVFQRVRFCV-MRXNPFEDSA-N 353.447 3.551 30 40 FHEB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)nc(C)c1C#N 12919345 NOHRNZDQIMWNAS-GFCCVEGCSA-N 368.462 3.662 30 40 FHEB Cc1cccc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2OC(C)C)c1 5451862 AQDOQLMCNQXURN-MRXNPFEDSA-N 360.417 3.971 30 40 FHEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)cc(OC)c1O 6840471 QZJBGHJMZRUDCZ-MHWRWJLKSA-N 370.430 3.609 30 40 FHEB N#C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 95348919 DAPBDOMOSGVELD-LLVKDONJSA-N 364.236 3.557 30 40 FHEB N#Cc1ccccc1Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 408575614 WRWUXUMANRQRIY-UHFFFAOYSA-N 371.440 3.756 30 40 FHEB C=CCOc1ccc2ccccc2c1/C=C1\SC(NC(C)=O)=NC1=O 409025332 TYJRWHXVYLLWGN-BOPFTXTBSA-N 352.415 3.511 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(C)c2)cc1 225887385 ICTGVYDOWQOSTQ-UHFFFAOYSA-N 361.401 3.878 30 40 FHEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 224705089 VDLYPTXBJKOJBA-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB CC(=N/Nc1nc2ccccc2o1)/N=N/c1cccc(S(=O)(=O)O)c1 85932602 HGOAONCFDNMIQY-HMDIFATOSA-N 359.367 3.604 30 40 FHEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 684813391 IVWHAQKSLBOHAI-LNLFQRSKSA-N 360.502 3.634 30 40 FHEB COc1ccc(-c2nc(N(C)Cc3ccccc3F)nc(O)c2C#N)cc1 40122663 YTEZHZZPZXHKKK-UHFFFAOYSA-N 364.380 3.505 30 40 FHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 779035 SMDVWCMQSHYOCE-KRWDZBQOSA-N 370.836 3.969 30 40 FHEB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 78619945 MVZCTHVFKWFLAO-CYBMUJFWSA-N 355.360 3.998 30 40 FHEB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)nn(CCC#N)c1C 12794086 ULHPJZWCNVMMJF-OAHLLOKOSA-N 368.481 3.541 30 40 FHEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\[C@@H](C)CCC(C)C 8687973 XJIXBCUCRBQBJT-AWEZNQCLSA-N 371.572 3.768 30 40 FHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(-c2ccco2)on1 19368293 XQTDNOXZAAFJIG-UHFFFAOYSA-N 363.329 3.855 30 40 FHEB Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3cccc(C)c3)c(=O)c2C#N)cc1 409197155 XFLIRASGXGMKGA-KHPPLWFESA-N 371.396 3.590 30 40 FHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2)cc1OCC 33473467 UHNVKCFUYYDFJP-MTJSOVHGSA-N 360.385 3.612 30 40 FHEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc([N+](=O)[O-])c1O 409071725 RZTHCKVRJINTRF-IFRROFPPSA-N 370.287 3.559 30 40 FHEB C=CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 32422035 DTYVMQRFSOOODG-UHFFFAOYSA-N 350.462 3.777 30 40 FHEB CC(C)(C)c1nnc(C/N=C(/O)c2cccnc2N2CCCCC2)s1 329861911 QQRFFGUCZMXSLQ-UHFFFAOYSA-N 359.499 3.726 30 40 FHEB CCC/C(Nc1ccccc1OC)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 6026112 DJZRLLOTBOINEP-UWXVCKHVSA-N 373.449 3.519 30 40 FHEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 3098463 PCBFGNUQEMKSII-HXUWFJFHSA-N 367.445 3.846 30 40 FHEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 6654232 LUAOTVHKSNPFGF-ZWNOBZJWSA-N 374.487 3.671 30 40 FHEB O=S(=O)(c1ccc(NN=C2CCCCCCC2)nc1)N1CCCCC1 7780118 DNEXCNMEHLBVKR-UHFFFAOYSA-N 364.515 3.768 30 40 FHEB C[C@@H](NC(=O)CSCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 58227431 IGFVKKFHDVCRIC-CQSZACIVSA-N 368.462 3.765 30 40 FHEB Cc1nnc(NCc2ccc(COCC(F)(F)F)cc2)c(C#N)c1C 29441423 VPSNTUWOMFUODF-UHFFFAOYSA-N 350.344 3.656 30 40 FHEB CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN(CCC#N)CC1CCC1 72308440 UMRRZXFYKCYRQH-UHFFFAOYSA-N 359.489 3.969 30 40 FHEB Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 20591630 VSZJSQRZCJZECU-PDGQHHTCSA-N 350.418 3.698 30 40 FHEB O=C(O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2C(F)(F)F)N=C1O 5630898 DNMRZNDKUVMIFG-QMMMGPOBSA-N 352.721 3.893 30 40 FHEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 30691606 ZSAMZEYLGUEVJW-TTYLFXKOSA-N 360.881 3.957 30 40 FHEB in-man N#Cc1c(F)cccc1N1CCN(Cc2ccccc2Br)CC1 32913816 XSUVMYOWUORQPB-UHFFFAOYSA-N 374.257 3.782 30 40 FHEB Cc1ccc([C@H]2O[C@@]34CCCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5054397 PKDKTLASUVQSFI-XWDORNJCSA-N 360.417 3.894 30 40 FHEB COc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 15010311 NMZYIIFZQKCJMB-GDOHLEIWSA-N 355.463 3.884 30 40 FHEB CN(c1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 3094642 GQKBZHWKVBTLDE-LTGZKZEYSA-N 365.458 3.767 30 40 FHEB CC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1 4516880 FUNOXGRYJDAHTP-UHFFFAOYSA-N 364.430 3.980 30 40 FHEB CCN1C=C(C(=O)/C=C/c2ccc(OC)cc2)[C@H](c2ccccc2)NC1=O 6604186 MTPMFTWSVKBGSS-KVDXNUTJSA-N 362.429 3.948 30 40 FHEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)NC1CCCCC1 6743995 MVKGFECTNFVZML-UHFFFAOYSA-N 370.453 3.776 30 40 FHEB C=CCOc1c(Cl)cc(CNn2c(CCC)n[nH]c2=S)cc1OC 7602243 HYNKBSIDVINECT-UHFFFAOYSA-N 368.890 3.864 30 40 FHEB C=CCOc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1OC 9983757 KYPWSQCBPVCUMI-UHFFFAOYSA-N 368.477 3.512 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 32505035 LJOXWLAVRXPDCX-HNNXBMFYSA-N 361.850 3.698 30 40 FHEB CCCCCCCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 199409188 WENFJNPTPPMBLA-UHFFFAOYSA-N 374.403 3.747 30 40 FHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484543 KOINWRRPMOSCPM-HXUWFJFHSA-N 368.452 3.854 30 40 FHEB COc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1 933888 SRMCSEJJMFIXHH-SUMWQHHRSA-N 369.490 3.902 30 40 FHEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4794041 YVWBACPZDDNQBJ-RQHKDAMNSA-N 360.370 3.542 30 40 FHEB N#Cc1ccccc1OC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 7780773 ZGMVJDUCDQXHDP-VOTSOKGWSA-N 355.777 3.992 30 40 FHEB C=CCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2290259 QRCKFLRTHONPSG-UHFFFAOYSA-N 371.444 3.689 30 40 FHEB CSc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5155981 UWHCNSHJYGFCSE-AWNIVKPZSA-N 361.488 3.555 30 40 FHEB C=CCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC 5311121 JLLUSCHCJJCATG-UHFFFAOYSA-N 365.524 3.509 30 40 FHEB COc1ccc(/C=N/Nc2ncnc3sc(C)c(C)c23)c(OC)c1OC 6685257 MMSMAUDPFVYYCC-ODCIPOBUSA-N 372.450 3.780 30 40 FHEB C=CCn1c2ccccc2c2nnc(SCn3nnc4ccccc43)nc21 9668851 CZIZIVFXPZMGLE-UHFFFAOYSA-N 373.445 3.660 30 40 FHEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccco1 408721908 BHIGBANXLNUCFY-JZJYNLBNSA-N 350.330 3.992 30 40 FHEB COc1ccc([C@H](/N=C(/O)N2CCO[C@@H](C(C)(C)C)C2)C(F)(F)F)cc1 331309803 GIZLHPPVPLNJAV-CABCVRRESA-N 374.403 3.960 30 40 FHEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@]12C 253530021 UFEOMHFPJREVTP-RBHHUKDOSA-N 366.457 3.883 30 40 FHEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 20028898 JLDALSCATHGLCF-HXUWFJFHSA-N 368.452 3.806 30 40 FHEB CC(C)(C)C1CCC(C(=O)OCC(=O)N(CC#N)c2ccccc2)CC1 23866966 IYXJXISPEGEPQO-UHFFFAOYSA-N 356.466 3.939 30 40 FHEB C=CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC 36398799 DUQMYSWUCXQEBG-UHFFFAOYSA-N 353.422 3.508 30 40 FHEB CCN(CCC#N)c1ccc(CNC[C@H](c2ccco2)N(C)C)c(C)c1 89969185 RLPNWGWHHVPNLX-HXUWFJFHSA-N 354.498 3.721 30 40 FHEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1 225945118 ZBDLRHJFYZCDJJ-UHFFFAOYSA-N 366.417 3.826 30 40 FHEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2cccc(F)c2)c1N 225842122 UZNSLPZRVHQXFE-UHFFFAOYSA-N 356.788 3.757 30 40 FHEB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776457 CXPLRKDKEYSZPJ-UHFFFAOYSA-N 368.408 3.783 30 40 FHEB CC1=C/C(=N\OS(=O)(=O)c2ccc(Cl)cc2)C(C(C)C)=CC1=O 16779874 FSJKVMWGBSIWIT-OBGWFSINSA-N 353.827 3.513 30 40 FHEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3C)NC2=O)ccc1O 4492130 FDCDJCPFWFUXJK-GZTJUZNOSA-N 354.431 3.991 30 40 FHEB COC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 4839300 NXFNMFQEHPUXLW-IRXDYDNUSA-N 358.781 3.772 30 40 FHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCC4=CCCCC4)[C@H]3[C@@H]3O[C@@]132 12661435 CBJRUAZKWGJCSM-ADPNAPNMSA-N 373.537 3.992 30 40 FHEB biogenic C=CCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@H]1c1ccccc1 28405701 UCQWCRQEFMHHDY-GOSISDBHSA-N 352.459 3.946 30 40 FHEB N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2C2CC2)c1 48356025 LPERHELRZHLTKS-UHFFFAOYSA-N 363.442 3.774 30 40 FHEB CN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 100552023 WYRANDZRMSANKW-QZQOTICOSA-N 366.442 3.664 30 40 FHEB CCc1ccccc1NC(=O)CSc1nc(C)cc(COC)c1C#N 409063518 MCNRQIRVZQCDEP-UHFFFAOYSA-N 355.463 3.701 30 40 FHEB CCOC(=O)C(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC 2088046 KINMIXKDAYOZSB-UHFFFAOYSA-N 367.616 3.541 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)CN3CCc4ccccc43)c2C#N)C1 2726596 DOBFHQAFBXHYLK-ZDUSSCGKSA-N 351.475 3.746 30 40 FHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(N(C)C)cc1 4821539 VUXJHYQFPWFCAW-YLJYHZDGSA-N 353.418 3.665 30 40 FHEB CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1 6788697 DCKAJDVMJMXXMK-UHFFFAOYSA-N 369.475 3.629 30 40 FHEB C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@@](C)(CC)OC2 8691040 ZNWWFVSDWQOFOT-QGZVFWFLSA-N 368.524 3.639 30 40 FHEB Cc1ccc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 35291536 NVCXRDZTYDWKRO-UHFFFAOYSA-N 358.445 3.874 30 40 FHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccccc2)no1 102804962 WOBQVFUSKVFRSL-IBOXJLQUSA-N 366.398 3.671 30 40 FHEB N#CC[C@@H]1CCCN(Cc2cccc(CN3CCC[C@@H](CC#N)C3)c2)C1 595620026 JVBKLGOOKJNBAV-PMACEKPBSA-N 350.510 3.938 30 40 FHEB COc1nc(C(=O)Nc2nc(C)c(SCC#N)s2)cc2ccccc12 58218290 MSLZANFUZGGDAG-UHFFFAOYSA-N 370.459 3.876 30 40 FHEB C/N=C1\S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1C 9323313 RPLVEXNKRWOQBT-SMSCYPBYSA-N 356.422 3.937 30 40 FHEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)o2)cc1 2619397 DHUHMTWFVVILPY-UHFFFAOYSA-N 368.418 3.677 30 40 FHEB N#Cc1c(NC(=O)COc2c(F)c(F)cc(F)c2F)sc2c1CCC2 2782870 CPDZQTMDDIVQSN-UHFFFAOYSA-N 370.327 3.682 30 40 FHEB N#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 48288990 KBGXMOKKPSEVOP-UHFFFAOYSA-N 362.477 3.583 30 40 FHEB CCN1C=C(C(=O)/C=C/c2ccc(OC)cc2)[C@@H](c2ccccc2)NC1=O 6604194 MTPMFTWSVKBGSS-QGFLDLQWSA-N 362.429 3.948 30 40 FHEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4859794 KYCXKIJFPCVASP-YBFXNURJSA-N 351.318 3.999 30 40 FHEB C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1 8748459 OJMQZVBQQCIMOP-INIZCTEOSA-N 368.437 3.589 30 40 FHEB C=CCn1c(C)cc(C(=O)COc2cc(C(C)=O)ccc2NC(C)=O)c1C 8937920 PFAWQWRUCPYXNQ-UHFFFAOYSA-N 368.433 3.714 30 40 FHEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(OC)c3)S2)cc1 35043443 SBQLREBHPANEHR-GZTJUZNOSA-N 354.431 3.855 30 40 FHEB CCc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 5393636 RTGPUQQACOMTTQ-UHFFFAOYSA-N 358.259 3.674 30 40 FHEB O=C(O)c1ccnc([C@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1 16778483 DNRABLMEJVUCPH-QIIGAIICSA-N 368.462 3.780 30 40 FHEB O=C(NC1CCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 2147482 DSXFWEWRTUHFOG-NSHDSACASA-N 373.215 3.630 30 40 FHEB Cc1n[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 4170141 IZWCARISQFIWHX-INIZCTEOSA-N 352.394 3.827 30 40 FHEB CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2367036 WQQIXFOUKOQUCN-JKSUJKDBSA-N 366.465 3.817 30 40 FHEB aggregator COc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1OC 2428100 WLZFOHOTRBTTSJ-UHFFFAOYSA-N 361.401 3.793 30 40 FHEB C=CCOc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OC 4048032 RJRAIONHHMIVNN-DJKKODMXSA-N 362.773 3.663 30 40 FHEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CCCCC2)n1 8843585 RPXVLCLQPHLBEH-UHFFFAOYSA-N 357.401 3.822 30 40 FHEB N#Cc1ccsc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 14253610 PWZIWAZNMOIMFL-UHFFFAOYSA-N 359.414 3.665 30 40 FHEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC2)C1=O 20624283 SENRZSWPAUUHJY-UNOMPAQXSA-N 351.402 3.613 30 40 FHEB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N(CCC#N)c1ccccc1 23550374 YIQKSGGIEPTXCU-HNNXBMFYSA-N 361.401 3.660 30 40 FHEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c(C)c(C)sc21 32104916 JHOOFOYPFMCPTA-UHFFFAOYSA-N 350.447 3.966 30 40 FHEB C=CCN1C(=O)[C@]2(Nc3cc(Cl)ccc3C(=O)N2CC)c2ccccc21 58167462 BGXHMXXHZSUPSW-FQEVSTJZSA-N 367.836 3.613 30 40 FHEB COc1ccc(CCN2C(=O)CS/C2=N/c2ccccc2)cc1OC 103733516 MKMUIALLRJEONL-FMQUCBEESA-N 356.447 3.509 30 40 FHEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408773571 RKUWBTLYHKTRKC-KGENOOAVSA-N 367.474 3.715 30 40 FHEB CN(C)c1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1 27991006 RFXTXWUIVWGXIZ-KRWDZBQOSA-N 365.437 3.587 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(C)(C)C)ccc1OC 3415542 NDQDVGZAJYRQGI-UHFFFAOYSA-N 374.510 3.809 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)NC1CCC(C(C)(C)CC)CC1 13001169 HESRETVPKBXASB-UHFFFAOYSA-N 364.559 3.976 30 40 FHEB N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 5507965 ZFKXBAZLWLVNRC-UHFFFAOYSA-N 356.381 3.807 30 40 FHEB CCOc1ccc(/C(C)=N\Nc2nc3ccccc3n2C)cc1[N+](=O)[O-] 408647303 BPHXOPHGADFCLJ-NDENLUEZSA-N 353.382 3.716 30 40 FHEB CC[C@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409406158 QAUFDYNMHSPJKN-TUEPYVCHSA-N 372.852 3.658 30 40 FHEB CN(CC#CCNC(=O)Cc1cccc2ccccc12)Cc1ccccc1 75165138 PHBXNRFSAOKSGZ-UHFFFAOYSA-N 356.469 3.634 30 40 FHEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)Nc1ccccc1 225859826 MYLNCPBUFZVEEP-UHFFFAOYSA-N 364.836 3.825 30 40 FHEB CCOc1ccc(C#N)cc1NC(=O)C1(c2ccccc2)CCOCC1 57375295 TVZYCAHJAWTFPL-UHFFFAOYSA-N 350.418 3.644 30 40 FHEB CCN(CC)c1ccc(/C=N\n2c(S)nnc2-c2ccccc2)c(O)c1 1473752 ATSJUPWBIADYLG-MOSHPQCFSA-N 367.478 3.668 30 40 FHEB COc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1Br 7956102 CHCCMWKMGHYVOP-UHFFFAOYSA-N 361.195 3.590 30 40 FHEB Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3c(C)c(O)ccc23)n1 10266852 SFEFWJZRJQELQU-UHFFFAOYSA-N 352.415 3.983 30 40 FHEB biogenic CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(C)c(Br)c1 100005507 HMFAFBMMTBUUCH-CAPFRKAQSA-N 371.238 3.948 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C1/C[C@@H]2CC=C[C@H]12 32699305 XHPDWJSGYWOSEX-XZRZPWDOSA-N 356.260 3.886 30 40 FHEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCOc1ccc(Cl)cc1 101102019 VUIRFJIRMQPUBJ-CYVLTUHYSA-N 351.189 3.597 30 40 FHEB N#Cc1cnn(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1N 72273686 LKMQHCMLGYFJTF-UHFFFAOYSA-N 372.306 3.837 30 40 FHEB C[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[nH]c1=S 65478198 FKVXSOAIEOZXJA-JTQLQIEISA-N 355.448 3.741 30 40 FHEB Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(C)n1-c1ccccc1 6415001 UWWIMWFQGHIPHF-UHFFFAOYSA-N 373.412 3.761 30 40 FHEB C#CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC 6410284 RDEUZKNHLFLXSY-VMPITWQZSA-N 364.397 3.765 30 40 FHEB CC(C)c1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCC3)NC2=O)cc1 5408172 HADZGZUVNVSFBJ-MRXNPFEDSA-N 372.494 3.656 30 40 FHEB COc1ccc(OC)c(-c2cc(-c3ccccc3OC)c(C#N)c(N)n2)c1 19804652 NIQXMCJOKGWWKV-UHFFFAOYSA-N 361.401 3.895 30 40 FHEB C=CCSc1nnc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)s1 8739626 XMEBLHCLTSPYCT-UHFFFAOYSA-N 373.459 3.792 30 40 FHEB Cc1c(NCc2cc(F)ccc2C#N)cccc1C(=O)N1CCSCC1 95965810 VBTXQCOXGHEHKZ-UHFFFAOYSA-N 369.465 3.807 30 40 FHEB O=S(=O)(OC[C@@H]1CC2CCC1CC2)c1ccc(Br)cc1 5046186 YACWBNJPMFWCGW-BPCQOVAHSA-N 359.285 3.981 30 40 FHEB O=S(=O)(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 2766955 ZNPQMRPEGNZMPQ-XDHOZWIPSA-N 360.822 3.912 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C[C@@H](C)CC(C)(C)C2)nc1 5701601 CZPZTCSFVIPQNW-MYKQLWFJSA-N 366.531 3.726 30 40 FHEB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 57352491 SLEIBKAHQKCXLA-OAHLLOKOSA-N 370.522 3.974 30 40 FHEB Cc1ccc([C@H](CNc2oc(CC(C)C)nc2C#N)N2CCOCC2)cc1 27793536 DKDAGSLYZJMDNC-IBGZPJMESA-N 368.481 3.539 30 40 FHEB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797116 HQHOCDVUOAJOPM-FQEVSTJZSA-N 363.417 3.931 30 40 FHEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc([N+](=O)[O-])o1 3238083 XHPXBAZDGWJAFK-UFWORHAWSA-N 366.358 3.508 30 40 FHEB C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 5556932 YNAJZMLCYSHVJK-JTQLQIEISA-N 370.507 3.683 30 40 FHEB C#CCN(Cc1cccnc1)C(=O)NCC1(c2cccs2)CCCC1 72270206 PREGONLEXGPKQY-UHFFFAOYSA-N 353.491 3.800 30 40 FHEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccc(F)cc2)cc1 225860365 ZTOGKMVGWTUBHK-UHFFFAOYSA-N 362.408 3.619 30 40 FHEB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119704 XSGHPWWFLHERDM-PZBABLGHSA-N 364.726 3.527 30 40 FHEB CC(C)CCNc1c(C#N)c2c(c3nncn13)CN(Cc1ccccc1)CC2 20677452 RVIWNJJUEGWGCF-UHFFFAOYSA-N 374.492 3.617 30 40 FHEB N#Cc1c(F)cccc1N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 52427608 HFFHXMQBEFWVOZ-UHFFFAOYSA-N 373.815 3.911 30 40 FHEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(OC(F)(F)F)cc1)OCO2 1231129 WWODQCLWPHRASC-FBCYGCLPSA-N 354.240 3.973 30 40 FHEB Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C#N)c(C)c1C 7060009 QKGQIZXFYQNKMB-HNNXBMFYSA-N 356.495 3.702 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 9095015 SLNQLLNIDKNYDT-ZDUSSCGKSA-N 358.825 3.662 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 12906709 DBZPMFZVTCIYNQ-SFHVURJKSA-N 355.365 3.612 30 40 FHEB O=C1N/C(=N/C2CCCCC2)S/C1=C\c1cc(F)cc2c1OCOC2 14092871 NFRGPZLTGBRSHI-NVNXTCNLSA-N 362.426 3.585 30 40 FHEB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 18195079 JSXXQXZRVNPVPX-IBGZPJMESA-N 365.458 3.750 30 40 FHEB CCOC(=O)c1ccc(C#N)c(SCCOc2ccccc2C(C)=O)n1 32899301 WOMQRLFFDVAWDD-UHFFFAOYSA-N 370.430 3.504 30 40 FHEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12 73641946 BNTIAESOZZNTFZ-UHFFFAOYSA-N 356.721 3.846 30 40 FHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(O)c2)S1 408753801 QJPZZQMMEOEPGV-OQLLNIDSSA-N 355.375 3.500 30 40 FHEB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c2c1 4406475 RGGHQOKHZCTTET-NSHDSACASA-N 352.419 3.562 30 40 FHEB C#CCOc1ccc(C[C@H]2SC(=O)N(CCCC)C2=O)cc1Cl 6647714 JKILLFDWTMLRQT-OAHLLOKOSA-N 351.855 3.759 30 40 FHEB CC(C)N(C)c1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1F 60511128 NJYFZOFQSLKIST-OAHLLOKOSA-N 360.477 3.813 30 40 FHEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C#N)cc1 13140749 ABROOMNTJMHZAC-UHFFFAOYSA-N 371.190 3.810 30 40 FHEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 6748091 OWVPJQAXEJWJAG-UHFFFAOYSA-N 355.876 3.635 30 40 FHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1 19087968 QWDKGXLQSWSZAF-FQEVSTJZSA-N 360.413 3.695 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2cc(C)ccc2C)c1C#N 409178051 IMDXGTKYUPRQHG-UHFFFAOYSA-N 355.463 3.756 30 40 FHEB C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 331623570 YCYWCJQSDJNDAH-WMLDXEAASA-N 350.459 3.622 30 40 FHEB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1 575620003 HJMSMXOYPUJKOO-CYBMUJFWSA-N 356.472 3.682 30 40 FHEB C=CCOc1ccccc1/C=C1/SC(=O)N(CN2CCCCC2)C1=O 20036462 GPYXPTAXXFZUMJ-GHRIWEEISA-N 358.463 3.731 30 40 FHEB COCCNc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N 20891016 MFUXAQONYWVKTD-UHFFFAOYSA-N 353.378 3.752 30 40 FHEB C/C(=C\c1ccccc1)[C@@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 4837015 SLMBFNKRZZTIAJ-JQFJVXODSA-N 372.428 3.926 30 40 FHEB Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6914491 ZWJYWPGNXFGRSS-GFCCVEGCSA-N 368.458 3.849 30 40 FHEB Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1sccc1C#N 12533660 QHSSNCABTLEOTJ-GFCCVEGCSA-N 369.475 3.628 30 40 FHEB CCN1C=C(C(=O)/C=C/c2ccccc2)[C@@H](c2ccc(OC)cc2)NC1=O 12321195 AADJGNWQRMEIBQ-ZGQNHIEXSA-N 362.429 3.948 30 40 FHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C)nc3)c2)c1 12987225 IDWGFYICEVEGPJ-UHFFFAOYSA-N 370.408 3.829 30 40 FHEB COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(Br)c1O 6380672 QBSCWFYYXPRNHD-QPJJXVBHSA-N 358.191 3.931 30 40 FHEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 408731036 KCHVFISBJVAKBR-GOSISDBHSA-N 351.362 3.729 30 40 FHEB Cc1ccc(/N=C\c2cn(CC(N)=O)c3ccccc23)c(Br)c1 409385155 JPUZQVYTDAQMOJ-NKVSQWTQSA-N 370.250 3.948 30 40 FHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218472007 YRKGDMLBZLAJFA-SLFFLAALSA-N 373.449 3.620 30 40 FHEB Cc1cccc(OCCCNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 12397746 WXWDXOAYAHPFLI-UHFFFAOYSA-N 363.417 3.758 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 169684102 WCNOMTXXYDUQJZ-DWMJDHIJSA-N 374.440 3.770 30 40 FHEB COC(=O)[C@@H]([C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] 4839301 NXFNMFQEHPUXLW-IAGOWNOFSA-N 358.781 3.772 30 40 FHEB Cc1cc(Cl)ccc1OC(=O)C1CCN(c2ccc(C#N)cn2)CC1 23075067 INNSACYVKDZIGV-UHFFFAOYSA-N 355.825 3.737 30 40 FHEB C=CCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 23596017 SIQIOLQKKDQQBH-UHFFFAOYSA-N 359.451 3.892 30 40 FHEB Cc1c(-c2ccccc2)[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn12 1824449 WQRLBWSOQUFXSF-UHFFFAOYSA-N 372.404 3.993 30 40 FHEB CCCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 22608067 YKIJJGOJJCNEOW-BLVKFPJESA-N 352.438 3.643 30 40 FHEB CCCCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 4073148 SXRCHGAIVHKOIV-IRYBIPSUSA-N 360.450 3.522 30 40 FHEB biogenic C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 5100930 CWZRZRUGZHWFKL-UHFFFAOYSA-N 353.407 3.727 30 40 FHEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1O 5164014 QPSHUKGRWZETMY-UFWORHAWSA-N 355.272 3.774 30 40 FHEB N#CCCN(Cc1ccco1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 14095726 JQJIYSLZMBRGBW-UHFFFAOYSA-N 374.853 3.844 30 40 FHEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NC[C@@H]1CCCO1 408799185 GWNUALRMCAUUAK-ZIHVZMLCSA-N 372.852 3.765 30 40 FHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)o2)C1=O 409002558 OPCZDCAPFKSNNC-KAMYIIQDSA-N 371.414 3.832 30 40 FHEB CCCCCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 97944161 KYHNXXCFZSEJAU-UHFFFAOYSA-N 366.531 3.674 30 40 FHEB COc1ccccc1N/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 4354544 KAVVVQMLJCAMRJ-FSJBWODESA-N 371.400 3.828 30 40 FHEB Cc1ccc(-c2cs/c(=N/N=C/c3ccccc3[N+](=O)[O-])n2C)cc1 1415365 DXQGCQOAXLWQFX-DSTXHIGZSA-N 352.419 3.905 30 40 FHEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(Cl)cc1 4828086 AAAFKGHMLYMVJD-LBPRGKRZSA-N 370.792 3.620 30 40 FHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 8935429 YGXQVYDTOFUAKM-AWEZNQCLSA-N 368.462 3.694 30 40 FHEB Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1-c1ccc2c(c1)OCO2 12631598 MFSZOVBRRWGXMR-UHFFFAOYSA-N 374.396 3.956 30 40 FHEB C[C@H](/N=C(\S)NC1CCCCC1)[C@@H](c1cccs1)N1CCOCC1 13878781 NMOMXTJEULRUFE-YOEHRIQHSA-N 367.584 3.718 30 40 FHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(N(C)C)cc3)C2=O)s1 33666577 JNPPKXGUMXGJCP-QNORNXTCSA-N 358.492 3.584 30 40 FHEB COc1ccc2c(c1)C(=O)/C(=C/c1csc(-c3ccccn3)n1)CO2 40139838 FHUHMZNXPBFRNR-XYOKQWHBSA-N 350.399 3.872 30 40 FHEB N#Cc1ccccc1NC(=O)C(=O)NCc1cc(-c2ccsc2)cs1 1775969965 USYTUOAIMBIIKK-UHFFFAOYSA-N 367.455 3.603 30 40 FHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Br)cc1 950988 XOUNBXYBUMMNBR-OAHLLOKOSA-N 373.254 3.699 30 40 FHEB CN(C)c1ccc(/C=N/c2nonc2/N=C/c2ccc(N(C)C)cc2)cc1 3028945 XWDZSYYMIJIPBE-JFMUQQRKSA-N 362.437 3.703 30 40 FHEB COc1ccc2nc(SCC(=O)N(CCC#N)c3ccccc3)[nH]c2c1 3337329 GRXGNCDEOCRQSB-UHFFFAOYSA-N 366.446 3.610 30 40 FHEB Cc1cc(SCC(=O)NC(C)(C)C)n2c(nc3ccccc32)c1C#N 4485065 LHRQJJIJKJVTDI-UHFFFAOYSA-N 352.463 3.674 30 40 FHEB Cc1cc2cc(C#N)c(NCCNC(=O)Cc3cccs3)nc2cc1C 4964477 WZDFUNVMRVVGOO-UHFFFAOYSA-N 364.474 3.556 30 40 FHEB COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCCCC2)cc1 5262172 OEPJTIFGJLKJRQ-NRFANRHFSA-N 363.461 3.524 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 6181192 LKYIOBHXCXQYPS-UHFFFAOYSA-N 350.296 3.603 30 40 FHEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3C)S2)cc1C 7883370 JFAGSQYWUFROHH-QGZVFWFLSA-N 367.474 3.860 30 40 FHEB C#CC(CC)(CC)NC(=O)CSc1nc(C)nc2sc3c(c12)CCC3 9154421 QVEAKXGHYRXAIH-UHFFFAOYSA-N 373.547 3.889 30 40 FHEB CCOc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC 11334757 YVCZYXSSAFNUBV-ZHACJKMWSA-N 367.445 3.827 30 40 FHEB C=CCn1c(SCCn2c(=O)oc3ccccc32)nc2ccccc21 32777010 OHTZAYOKAWJISI-UHFFFAOYSA-N 351.431 3.923 30 40 FHEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1Cl 89823143 HKAQTRGGWQWXFU-INMHGKMJSA-N 355.781 3.599 30 40 FHEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1Cl 89823147 HKAQTRGGWQWXFU-UXLLHSPISA-N 355.781 3.599 30 40 FHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(F)c1)c1ccco1 96336099 SFZFHOQDHGYGTI-AWEZNQCLSA-N 370.361 3.658 30 40 FHEB COc1cc(/C=C2/CCOc3c(C)cccc3C2=O)cc([N+](=O)[O-])c1O 98004199 DVWZHINXQASZHP-JYRVWZFOSA-N 355.346 3.666 30 40 FHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224663399 SWLCESHHQBXYNS-UHFFFAOYSA-N 352.253 3.830 30 40 FHEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccc(F)cc1 225886545 XRMRVAYVHRIABB-UHFFFAOYSA-N 351.337 3.650 30 40 FHEB C#CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1 408779708 IMQZYLMYMBWXGL-PHJXOXRPSA-N 364.470 3.861 30 40 FHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccccc12 3244315 NYUVSLVSEVSSQT-UHFFFAOYSA-N 354.822 3.886 30 40 FHEB C=CCn1c(N)c(C(=O)N[C@@H](C)c2ccccc2)c2nc3ccccc3nc21 2290365 VOZDADSJZDHJFL-AWEZNQCLSA-N 371.444 3.844 30 40 FHEB C=CCn1c(C)nnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 36661734 NBXNAINRRKYKBD-ZDUSSCGKSA-N 374.535 3.782 30 40 FHEB Clc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 4576116 HBFGDOKXJZPAPN-KGENOOAVSA-N 370.888 3.776 30 40 FHEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 409047439 OPVRKHZKOGSKIN-NTEUORMPSA-N 365.838 3.805 30 40 FHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)o1 409292405 GQVJURSZPQGEHW-UHFFFAOYSA-N 360.211 3.505 30 40 FHEB CCOc1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1OC 253616950 CEAFSWQAMYWBDV-UHFFFAOYSA-N 360.483 3.904 30 40 FHEB NC(=O)CCn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 7098645 MMCNDVPYKGSIEX-SRZZPIQSSA-N 363.446 3.572 30 40 FHEB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2c1CCC2 14137273 GSOXWBLYWVYMNG-UHFFFAOYSA-N 358.854 3.530 30 40 FHEB C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c(CC(C)C)csc21 32101012 WCZSTMYOWBISNR-UHFFFAOYSA-N 365.462 3.552 30 40 FHEB O=C(N1CCCCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 3145695 FJFMUPISFUAFFT-LLVKDONJSA-N 373.215 3.584 30 40 FHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 8959561 JTQRFXIYWBUVEH-UHFFFAOYSA-N 370.474 3.867 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4O[C@@]4(C(C)C)C[C@@]3(O)CC[C@H]21 104133755 NIVDSAIYKQNARX-TUPTUZDRSA-N 350.499 3.701 30 40 FHEB Cc1cccc(-n2nnnc2SCc2cn3ccccc3c2C#N)c1C 12978642 ZKFGLDFEBARYAU-UHFFFAOYSA-N 360.446 3.696 30 40 FHEB COc1ccc(OCc2nnc(SCC#N)n2-c2ccccc2F)cc1 4246833 YIQMHIDPAVTUFA-UHFFFAOYSA-N 370.409 3.610 30 40 FHEB Cc1cc(SCC(=O)N2CCCCC2)n2c(nc3ccccc32)c1C#N 4270131 UMUWDBOCZUEYAQ-UHFFFAOYSA-N 364.474 3.772 30 40 FHEB COc1ccc(C/N=C/c2cc(Br)ccc2O)cc1OC 5287961 MRVOSBCLQGLTCA-VCHYOVAHSA-N 350.212 3.791 30 40 FHEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408708140 HDDIYFAEDDIECT-UHFFFAOYSA-N 352.434 3.630 30 40 FHEB COc1cc(CNC(=O)N[C@H]2CCCC[C@H]2C#N)ccc1OC1CCCC1 1615555845 XZPZSAUPIVLFDQ-WMZOPIPTSA-N 371.481 3.898 30 40 FHEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 4082589 LYALGFDSSRNLPA-MNPUUQJQSA-N 363.571 3.579 30 40 FHEB biogenic CC(=O)c1nnn(-c2cc(C#N)c(C#N)cc2/C=C/c2ccccc2)c1C 78549763 UUEAXHUVSSNXFH-CMDGGOBGSA-N 353.385 3.692 30 40 FHEB COc1cccc([C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 40033609 XFPBIZKCLMAWDX-KRWDZBQOSA-N 355.463 3.794 30 40 FHEB C=CCOc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)c1 20736061 PYDBUSGZMDQREC-MRXNPFEDSA-N 361.405 3.659 30 40 FHEB Cc1noc(C)c1COc1ccc(CC(=O)NCC#Cc2ccccc2)cc1 22416875 CPKMZCHMHUMURK-UHFFFAOYSA-N 374.440 3.581 30 40 FHEB CCOc1ccccc1OCCCC(=O)Oc1ccc(C#N)cc1OC 6310127 XLSRAYGNFQGZLR-UHFFFAOYSA-N 355.390 3.730 30 40 FHEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cc2c(s1)CCC2 7777461 TXAPLTYMWSDEPZ-UHFFFAOYSA-N 366.398 3.650 30 40 FHEB C=CCNc1nc(C(=O)OCc2cc(-c3ccccc3OC)no2)cs1 9498632 KVRHVZAZJQUWFK-UHFFFAOYSA-N 371.418 3.762 30 40 FHEB CCOC(=O)c1ccccc1N/C(=C\C(=O)C(F)(F)F)c1cccnc1 408751412 NYOOFLRYYRHGAH-GDNBJRDFSA-N 364.323 3.843 30 40 FHEB NC(=O)Cn1cc(/C=N\c2ccccc2Br)c2ccccc21 409386153 QULCPAHCVKEXNK-UKWGHVSLSA-N 356.223 3.640 30 40 FHEB N#CC1CCC(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 1617420880 PZFUPINNPDZQPJ-UHFFFAOYSA-N 352.404 3.552 30 40 FHEB O=S(=O)(/N=C(\O)Cc1cccc(F)c1F)c1ccc(Cl)cc1F 95410285 LAUTVXZAOLOVNG-UHFFFAOYSA-N 363.744 3.645 30 40 FHEB COc1ccc(CNc2nnc(Sc3ncccc3C#N)s2)cc1 12548859 HXJVXZGBSXSSAS-UHFFFAOYSA-N 355.448 3.577 30 40 FHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 4902630 UVXWUJAVHGYHCK-CYBMUJFWSA-N 370.434 3.906 30 40 FHEB COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)c(OC)c2)cc1OC 1615074 KNSUGJPUWURPHN-OAHLLOKOSA-N 355.390 3.601 30 40 FHEB biogenic C=CCOc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 12925115 DLFZKIVXWTVEAB-UHFFFAOYSA-N 358.825 3.902 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 6786359 GHGQUZNMXXTRLD-KRWDZBQOSA-N 371.820 3.565 30 40 FHEB CNc1ccc(C(=O)N2CCS/C2=N\c2ccccc2C)cc1[N+](=O)[O-] 6831909 CLEYDHROIFTJKF-ZZEZOPTASA-N 370.434 3.822 30 40 FHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409048982 PPISPKSCZFPMGX-MHWRWJLKSA-N 368.370 3.833 30 40 FHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OCC 409071638 OUJPPJIUUPXYTG-LGMDPLHJSA-N 359.447 3.934 30 40 FHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)o1 409315239 IOPQRVBLBPRSNG-UHFFFAOYSA-N 374.238 3.895 30 40 FHEB Clc1ccc(/C=N/N2CCN(/N=C/c3ccc(Cl)cc3)CC2)cc1 1700815 NHCAXMHWFOFFLT-JFMUQQRKSA-N 361.276 3.979 30 40 FHEB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 4332820 WVEOZCYNARGWFJ-MRXNPFEDSA-N 372.465 3.609 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)o1 1464709 POMPOWFIQKSVMX-LJQANCHMSA-N 374.396 3.762 30 40 FHEB N#Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 9367219 GBPSVCUQCICZMP-UHFFFAOYSA-N 352.394 3.818 30 40 FHEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5901492 HQGBEXGFWUNAHY-SJKOYZFVSA-N 373.478 3.899 30 40 FHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 7172121 YYRQUBPXTQVYIG-SNVBAGLBSA-N 366.874 3.554 30 40 FHEB CC(C)=C[C@H]1[C@@H](/C(O)=N/S(=O)(=O)c2cccc3nsnc23)C1(C)C 71808808 HNLRTLJMQIIPHU-GWCFXTLKSA-N 365.480 3.575 30 40 FHEB COC(=O)c1cc(/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)ccc1Cl 408742651 XLXOSXUXHFFVRZ-XYHOIZSOSA-N 369.808 3.868 30 40 FHEB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772494 XAARWBNIHUHGCQ-UHFFFAOYSA-N 350.418 3.562 30 40 FHEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1cccs1 225139808 NJJVWZHBPDYJJF-UHFFFAOYSA-N 371.867 3.569 30 40 FHEB CCOCC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 5189100 GGRLJIDECNWEAX-SDXDJHTJSA-N 358.354 3.746 30 40 FHEB CCOC(=O)Nc1snc(C)c1/C(C)=N/Nc1ccccc1C(=O)O 32869062 NIJOBDVUDVCDIC-GIJQJNRQSA-N 362.411 3.554 30 40 FHEB Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 873394 KGHJEBZTSROLKA-JTQLQIEISA-N 372.519 3.882 30 40 FHEB N#Cc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6756510 CAEOUJJNPIEJCR-UHFFFAOYSA-N 354.207 3.914 30 40 FHEB Cc1cc(C=O)c(C)n1N(Cc1ccccc1C#N)C(=O)c1ccccc1 9324270 HYHDTHSARWKLEM-UHFFFAOYSA-N 357.413 3.768 30 40 FHEB COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 4045750 RQSXVMSFJWLNRG-SOFGYWHQSA-N 358.390 3.626 30 40 FHEB biogenic Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4488230 NMEDTCYMUVXYCB-DJJJIMSYSA-N 364.380 3.734 30 40 FHEB Cc1nc(-c2ccc(CNC(=O)COc3ccccc3C#N)cc2)cs1 15191774 HRIGAVNGCBEQFX-UHFFFAOYSA-N 363.442 3.685 30 40 FHEB N#Cc1cc(F)c(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(F)c1 89762083 HHSBAKDBWDHTGU-AWEZNQCLSA-N 357.408 3.538 30 40 FHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1C 409197407 DTXODTDTICFJAB-PKNBQFBNSA-N 371.396 3.590 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 15609522 UMOYCJQDQIANIX-ZDUSSCGKSA-N 358.825 3.662 30 40 FHEB CCOC(=O)C/C(=N\Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])OCC 16681937 ZERAZFIHQOELDX-SFQUDFHCSA-N 364.185 3.617 30 40 FHEB C#CCOc1ccccc1/C(Cl)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17124030 UHCMRSBGVNGZAE-KNTRCKAVSA-N 374.740 3.528 30 40 FHEB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)cc1 31673575 FRUQKSIFTLAVAJ-JTQLQIEISA-N 363.186 3.866 30 40 FHEB C[C@H](O/N=C/c1cccs1)C(=O)Nc1ccc(Br)cc1 21034559 QCARSAJVLXQWMZ-JSJZUPIVSA-N 353.241 3.888 30 40 FHEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1cc(Cl)ccc1O 102731012 YLVFELQILVMNLE-KAUTYAIWSA-N 367.796 3.518 30 40 FHEB N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 13108431 YUZBUEYGRDAFSB-XMHGGMMESA-N 373.166 3.532 30 40 FHEB C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(Cl)cc1 5478411 ZGKSLVBAVSCELC-UHFFFAOYSA-N 351.859 3.828 30 40 FHEB FC(F)Oc1ccc(N/C(S)=N\C[C@H]2COc3ccccc3O2)cc1 8685134 DQSUESGBYAWOHB-ZDUSSCGKSA-N 366.389 3.826 30 40 FHEB CN(C)c1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409094786 GGMQSNKZHIXIRS-MFOYZWKCSA-N 364.199 3.880 30 40 FHEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1C 33339412 STAYMMLVGNMTSS-RQZCQDPDSA-N 352.415 3.924 30 40 FHEB O=C1CC[C@]2(CCN1Cc1ccccc1)C/C(=N\O)c1ccccc1O2 13568870 HWKUWNOLQGULTD-VUZMPXBXSA-N 350.418 3.599 30 40 FHEB C#C[C@@](C)(CC)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1074422 OUDLPQBJJLBHOG-FQEVSTJZSA-N 368.387 3.866 30 40 FHEB N#Cc1c(Cl)nsc1NCc1nn(-c2ccccc2)c2c1CCC2 52473856 OJLFVLYKLRRFNF-UHFFFAOYSA-N 355.854 3.955 30 40 FHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)C(=O)O1 102500258 YCWNWTIWLGLHOX-MOEXGYKKSA-N 373.817 3.692 30 40 FHEB COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1OC 103504617 FSJCCECDLLSSIZ-KRWDZBQOSA-N 374.396 3.818 30 40 FHEB CCc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408531903 HLWPGHGSDKDTGV-HNNXBMFYSA-N 369.808 3.504 30 40 FHEB CNc1ccc(Br)cc(C(=O)/C=C/c2cccc(OC)c2)c1=O 4667401 KFDKMBIZEXPTMG-RMKNXTFCSA-N 374.234 3.756 30 40 FHEB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c1C 6930465 GFRXTKMSAKROMC-UHFFFAOYSA-N 373.412 3.773 30 40 FHEB CCc1sc(NC(=O)CC#N)nc1-c1ccc(Br)cc1 72333505 RJGJCUXIPKXCEP-UHFFFAOYSA-N 350.241 3.987 30 40 FHEB COc1cc2c(cc1OC)[C@@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)CN1CC2 33741567 HAPOKUSVNOKHRF-HREXAKDCSA-N 374.481 3.588 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225098037 HNXOLAJHMVZGPK-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCC[C@@H](C)C1 225855553 CQQNAFQTFWVQAZ-VLIAUNLRSA-N 358.438 3.798 30 40 FHEB CCOc1cc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)ccc1O 19095844 IZMWJOBNYDISIX-UHFFFAOYSA-N 361.401 3.982 30 40 FHEB COCCn1c(C)cc(C2=NN/C(=N\c3ccccc3F)SC2)c1C 5862661 DHXSHESWLZVTEU-UHFFFAOYSA-N 360.458 3.619 30 40 FHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl 32832134 UWTAFYJQTNKADF-PXAZEXFGSA-N 356.297 3.868 30 40 FHEB Cc1ccc(S(=O)(=O)N(C[C@H]2CO2)c2cc(Cl)ccc2Cl)cc1 864105 MQBXVORPPVAXHF-ZDUSSCGKSA-N 372.273 3.896 30 40 FHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(CCCC)C2=O)cc1Cl 6647623 JKILLFDWTMLRQT-HNNXBMFYSA-N 351.855 3.759 30 40 FHEB C=CC[C@]1(C#N)C(S)=NC(C)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] 6763858 DBEONQBTUKNBMO-SJLPKXTDSA-N 355.419 3.969 30 40 FHEB CCOC(=O)c1cc(C#N)c(SCCOc2ccc(C)cc2)nc1C 7149361 BKIINJBSOMREHB-UHFFFAOYSA-N 356.447 3.918 30 40 FHEB Oc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F 59475481 VBAQLOUJFNIGGG-WSDLNYQXSA-N 350.340 3.998 30 40 FHEB Cn1c([C@H](C#N)C(=O)c2c(F)c(F)c(F)c(F)c2F)nc2ccccc21 13739094 XENAOAOXLJDCAC-SSDOTTSWSA-N 365.261 3.759 30 40 FHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccs2)no1 16742377 NWRFJHZAFTUDKO-CQSZACIVSA-N 372.427 3.889 30 40 FHEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C1CC1 95953384 BFHCDMXUDIPEFO-LBPRGKRZSA-N 373.507 3.738 30 40 FHEB C=CCN1CC[C@]2(CN(Cc3ccc(C)s3)C[C@H]2c2nccs2)C1=O 306129968 ISTBVOOOWJHWNR-QFBILLFUSA-N 373.547 3.517 30 40 FHEB C=CCSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 219801574 JSNJFIUGTBHXSO-UHFFFAOYSA-N 352.503 3.923 30 40 FHEB CCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1OC 252429377 IQFOHRXBCFHWEQ-UHFFFAOYSA-N 354.435 3.523 30 40 FHEB COc1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1OC 5335593 OCILNKKQDNEMSC-JLHYYAGUSA-N 351.402 3.727 30 40 FHEB Cc1nc(N2CCC[C@@H](COc3ccncc3)C2)c(C#N)c(C)c1Cl 1889109997 SVUBFPAZOYOKSU-OAHLLOKOSA-N 356.857 3.914 30 40 FHEB CCCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2OC)c1CC 20329729 OMBXHSDJJFXWKU-UHFFFAOYSA-N 355.438 3.743 30 40 FHEB C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)cn2N)c1C 2662847 YMHAMJJJFOWVCV-UHFFFAOYSA-N 366.490 3.843 30 40 FHEB N#CCCN(C(=O)COC(=O)Cc1cccc2ccccc12)c1ccccc1 3235720 VLZORJFXLTVWCH-UHFFFAOYSA-N 372.424 3.872 30 40 FHEB C[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br 12750356 RHVTYGYYOOPVTA-JTQLQIEISA-N 364.268 3.672 30 40 FHEB N#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccncc2)nc1N 13005285 IDJXWFLQPRKMEK-UHFFFAOYSA-N 351.753 3.826 30 40 FHEB Cc1ccc(-n2cnnc2SCC(=O)Nc2sccc2C#N)c(C)c1 6105340 RLUNPNOBOWHYBK-UHFFFAOYSA-N 369.475 3.548 30 40 FHEB CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O 4387420 NUYGJCAWOIDLJS-OAHLLOKOSA-N 363.255 3.788 30 40 FHEB C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 16741399 TXOULCOFFOGVQL-MRXNPFEDSA-N 355.415 3.521 30 40 FHEB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(C[C@H](C)CC1=O)N2 22608515 DGVQRGCIYICDLU-APPDUMDISA-N 370.478 3.667 30 40 FHEB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S 409347477 PWUVSMBFSDHQSO-WJDWOHSUSA-N 369.471 3.545 30 40 FHEB O=C(/C=C/Nc1cccc(CN2CCCC2)c1)c1ccc2c(c1)OCO2 44842465 IADNIDYZHVEBKD-CMDGGOBGSA-N 350.418 3.820 30 40 FHEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1NC(=O)c1ccccc1 1101678 FUVDVLPGSULEMM-UHFFFAOYSA-N 370.408 3.951 30 40 FHEB C=CCc1cc(CN2CCN(c3ccccc3F)CC2)c(O)c(OC)c1 12597815 GECVTSLELOPNPV-UHFFFAOYSA-N 356.441 3.591 30 40 FHEB CN(C(=O)CSc1nc2ccccc2n1CCC#N)c1ccccc1 12549859 RULMVXXECPDKFW-UHFFFAOYSA-N 350.447 3.705 30 40 FHEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20060617 HYSUBWNZSQESAI-FYJGNVAPSA-N 351.431 3.941 30 40 FHEB N#Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 22277345 XMPWZXFLIGIOGM-NRFANRHFSA-N 362.454 3.821 30 40 FHEB COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O 409400765 AVTAJBSUYLXBTK-UHFFFAOYSA-N 371.396 3.660 30 40 FHEB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 5862194 FTLBNFMLAYNJML-QGZVFWFLSA-N 356.809 3.859 30 40 FHEB CN(C)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 8813853 PBUGWTSGEQYYOK-VCHYOVAHSA-N 358.243 3.837 30 40 FHEB CC[C@H](C)n1ncc(N=C(O)N2CCCN3c4ccccc4C[C@H]3C2)c1C 329816480 FLEHMNIFRGUWJS-YJBOKZPZSA-N 367.497 3.845 30 40 FHEB Cc1c(C(F)(F)F)nn(C)c1N=C(O)c1cc(C)n([C@@H](C)C2CC2)n1 329664405 PLTDNDWJIYFQAU-JTQLQIEISA-N 355.364 3.860 30 40 FHEB CC[C@@H](C)n1ncc(N=C(O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C 329816477 FLEHMNIFRGUWJS-CRAIPNDOSA-N 367.497 3.845 30 40 FHEB CS[C@H]1CCC[C@@H]1N(C)CC(=O)N(CCC#N)c1cccc(C)c1C 76089926 BJXBKVWZUYQBLC-OALUTQOASA-N 359.539 3.766 30 40 FHEB CSc1nc(NC[C@@H](C)O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820379 PDHXXSOFSCEAGC-GFCCVEGCSA-N 356.495 3.827 30 40 FHEB N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCCC2 13254995 USAVKBJXMFOQMQ-CQSZACIVSA-N 354.431 3.696 30 40 FHEB N#Cc1cnn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c1N 632448 BSEZIXWUTFGFIK-UHFFFAOYSA-N 354.373 3.575 30 40 FHEB C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc21 4485619 BFGATNRMQRPZJE-UHFFFAOYSA-N 354.460 3.584 30 40 FHEB C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@H]3c3cc(C(=O)OC)c(o3)C1)OC2=O 5158340 PPHCYWKQJLNLQQ-GXNLFKTRSA-N 372.417 3.667 30 40 FHEB N#Cc1ccc(COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(F)c1 12906713 DBZPMFZVTCIYNQ-GOSISDBHSA-N 355.365 3.612 30 40 FHEB C=CCSc1nnc(NC(=O)CSc2ccc(F)c(F)c2)s1 14094325 JKHDFCQOEKTRSL-UHFFFAOYSA-N 359.448 3.825 30 40 FHEB N#Cc1ccccc1COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 31318064 SZUUTLLMWLKZGS-UHFFFAOYSA-N 363.413 3.885 30 40 FHEB CCc1nc(C#N)c(NC[C@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594254 YWBDWUOXXMRSOS-CQSZACIVSA-N 352.360 3.842 30 40 FHEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)cc1 59292769 ZPSDSCBCZRZXRE-DHDCSXOGSA-N 360.822 3.946 30 40 FHEB C#CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 65579049 RMHMRYFGQRDZAP-XNTDXEJSSA-N 372.468 3.562 30 40 FHEB Cc1nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)ccc1C#N 79103375 YZJXNPSXUJSTCJ-INIZCTEOSA-N 351.406 3.513 30 40 FHEB Cn1cnnc1Sc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 1421239 OVVHEOSJBURQFM-UHFFFAOYSA-N 360.446 3.518 30 40 FHEB C=CCSc1nsc(NC(=O)Nc2ccc(C(=O)OCC)cc2)n1 4898398 REOQSXBCANMPGD-UHFFFAOYSA-N 364.452 3.637 30 40 FHEB Fc1c(F)c(F)c(/N=C/c2ccc(N3CCOCC3)cc2)c(F)c1F 3253709 WWFWLEAVGMWTAI-NUGSKGIGSA-N 356.294 3.969 30 40 FHEB CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@H](c2ccccc2)C[C@@]1(C)O 107173224 KKHGJDYWHZQWDQ-YUMYIRISSA-N 358.441 3.947 30 40 FHEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCCC1=CCCCC1 9452698 FXPWKPCGIQONKJ-WSDLNYQXSA-N 352.381 3.645 30 40 FHEB C=CCNC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975342 AOJRDNXESJXLSA-UHFFFAOYSA-N 358.405 3.928 30 40 FHEB C#CCOc1ccc(Cl)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408947078 ZKZBCBBRDPRIQI-ZDLGFXPLSA-N 374.740 3.614 30 40 FHEB CC(=O)Nc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409187230 NTRBMOAQKGQLTR-CIAFOILYSA-N 354.406 3.726 30 40 FHEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccccc1F 225886504 PXGDWWQHBOMLJG-UHFFFAOYSA-N 351.337 3.650 30 40 FHEB COCCOc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 44027667 QYJWRCNKLPIEOC-KPKJPENVSA-N 362.429 3.853 30 40 FHEB C[C@@H](OC(=O)c1cccc2cccnc12)C(=O)N(CCC#N)c1ccccc1 83888370 JTHBKIVLLXWBQZ-MRXNPFEDSA-N 373.412 3.727 30 40 FHEB COC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCN(C)C2 694792 DSCCMMKJKLMOFB-UFWORHAWSA-N 364.854 3.632 30 40 FHEB N#Cc1c(N)nc2c(/N=N\c3ccccc3)c(N)nn2c1Nc1ccccc1 16958773 HXZORFDKKMYCHG-QPLCGJKRSA-N 369.392 3.924 30 40 FHEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 19928766 KDDGOMCQTUGGCS-UHFFFAOYSA-N 369.837 3.728 30 40 FHEB Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O 2099353 IMJLZJHWZATEQY-GRSHGNNSSA-N 352.386 3.942 30 40 FHEB biogenic O=[N+]([O-])c1ccccc1/C(=N\c1ccccc1)c1c(O)cc(O)cc1O 102856005 AUHFOUMTECBUMR-FMQUCBEESA-N 350.330 3.881 30 40 FHEB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 6046484 DFSCDWBDHULLMG-KRWDZBQOSA-N 356.809 3.859 30 40 FHEB C=CCn1c(SCc2nccn2C(F)F)nc2sccc2c1=O 9366959 GSBWMIAFRFNJES-UHFFFAOYSA-N 354.407 3.528 30 40 FHEB CCn1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1cccs1 14198421 XDLUILSMVKGODI-UHFFFAOYSA-N 357.420 3.958 30 40 FHEB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/Nc3ccccc3)o2)c1 15226306 KQSSUSVJXRXARX-RGVLZGJSSA-N 350.330 3.789 30 40 FHEB CCC(=O)N(c1nnc(S[C@H](C#N)Cc2ccc(C)cc2)s1)C1CC1 9516315 SYKFWEIRCXPBHT-HNNXBMFYSA-N 372.519 3.979 30 40 FHEB COc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550692 GJYLUEKXHMKQES-UWVJOHFNSA-N 369.204 3.828 30 40 FHEB C[C@H]1COC[C@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 89941338 BAUVLRXPACMVIN-OXJNMPFZSA-N 366.486 3.780 30 40 FHEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020144 VTPFZZBQUCGPLF-UHFFFAOYSA-N 352.799 3.630 30 40 FHEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1 225887497 IOTDCKMCMRNUSY-UHFFFAOYSA-N 365.364 3.708 30 40 FHEB N#Cc1c(COc2ccc(Br)cc2C=O)cn2ccccc12 14902012 YUBZNXYEEPSUAV-UHFFFAOYSA-N 355.191 3.965 30 40 FHEB C/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1085375 NXABUWDSNFAARK-UDWIEESQSA-N 368.414 3.961 30 40 FHEB C=CCc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC 5248526 WRBWCVNUJXWIKE-WOJGMQOQSA-N 356.338 3.686 30 40 FHEB COc1ccc(N/N=C2\C(=N)N(c3nc4ccccc4s3)N=C2C)cc1 5603286 QECKFZBUFFMMSL-FGNFRUFOSA-N 364.434 3.946 30 40 FHEB COc1cc(/C=N/Nc2ccccc2)c(Br)cc1OCC#N 6490526 XXUJKZHNPCDLSS-YBFXNURJSA-N 360.211 3.806 30 40 FHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 9437830 NMEDVJZVEYDNDR-HNNXBMFYSA-N 360.413 3.976 30 40 FHEB C=CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 12349027 PYDISDHXFQZNDA-GOSISDBHSA-N 350.422 3.501 30 40 FHEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)cc(OC)c1OC 15225191 LXRMLRSCQNNWMA-KEBDBYFISA-N 372.812 3.755 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19315179 APURBVYJKSWMFZ-GOSISDBHSA-N 370.405 3.514 30 40 FHEB CC(=O)Nc1ccc(C(=O)/C=C\c2c(C(F)(F)F)nn(C)c2Cl)cc1 33376509 FFUIDYNAKXSQNZ-FPLPWBNLSA-N 371.746 3.947 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1SCC(F)(F)F 36702486 RWLNZHOUNXCJPC-OAHLLOKOSA-N 359.417 3.807 30 40 FHEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCNC1 72391929 GYKQZZHEFADJJH-JOCHJYFZSA-N 352.453 3.707 30 40 FHEB C[C@H](Nc1cccc(F)c1C#N)c1cc(F)ccc1N1CCC(O)CC1 78559892 FGLLOMBCTXZAKC-ZDUSSCGKSA-N 357.404 3.971 30 40 FHEB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)/C(O)=N/c1ccccc1 82067898 ATHRXBRSKBTVHI-UHFFFAOYSA-N 365.355 3.656 30 40 FHEB Cc1cc(C)c(C#N)c(N2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)n1 100641535 PYTNRBTXYHLVRQ-ROUUACIJSA-N 351.425 3.728 30 40 FHEB CC(C)=CC[C@@H](OC(=O)C=C(C)C)c1cc(O)c2c(c1O)C(=O)C=CC2=O 102967580 ZWYUHJQQLXNNSY-QGZVFWFLSA-N 370.401 3.940 30 40 FHEB biogenic Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)c1 223757708 WQHBWFIESDLVMS-XLNRJJMWSA-N 355.438 3.721 30 40 FHEB O=S(=O)(N/N=C\c1ccc(Cl)s1)c1ccc2ccccc2c1 408965449 HOHXLAVTLVRAKN-YVLHZVERSA-N 350.852 3.867 30 40 FHEB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)[C@@](C)(N=C(C#N)C#N)O1 3058509 PTGYOVVYWIEVNT-XLIONFOSSA-N 351.406 3.620 30 40 FHEB N#Cc1cccc(NC(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1 96002748 QFMFIRVRFDOERF-CQSZACIVSA-N 363.343 3.516 30 40 FHEB C/C(=N\O)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 100937492 ZNXYMEVBZWGVTR-AWQFTUOYSA-N 358.195 3.720 30 40 FHEB COc1cc2c(cc1OC)[C@@H]1C/C(=N\OC(C)=O)[C@H](CC(C)C)CN1CC2 12401414 HAPOKUSVNOKHRF-KCWFZBIGSA-N 374.481 3.588 30 40 FHEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)n1C 68355925 JBKSWEWTSQYWFA-QGZVFWFLSA-N 363.392 3.834 30 40 FHEB CCCCCCCC(=O)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 408751573 ZOCWIYOFUXYWAV-MRXNPFEDSA-N 357.376 3.629 30 40 FHEB C=CCN(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2 89919504 PXTNAKDVSWOYJK-UHFFFAOYSA-N 350.462 3.718 30 40 FHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1 218612364 BDZVSWXPAQYQSM-GUDVDZBRSA-N 373.861 3.551 30 40 FHEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)C2(C#N)C#N)cc1 218339944 WEPIZKFGYOWMFQ-IRXDYDNUSA-N 356.834 3.622 30 40 FHEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)N1CCCCCC1 225859598 HIHHVLGVSLVJJB-UHFFFAOYSA-N 370.884 3.589 30 40 FHEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955775 QJSCGVBSERXOGW-UHFFFAOYSA-N 367.854 3.739 30 40 FHEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)cc1 5551649 QOKRBMARRQTDMZ-ATVHPVEESA-N 354.431 3.986 30 40 FHEB Cc1nc(Cl)nc([C@H](C#N)c2nc3ccccc3[nH]2)c1Br 2559119 WADAVXDYEVLUNS-QMMMGPOBSA-N 362.618 3.733 30 40 FHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC)C2=O 20624382 RPBKKXXUAGBFBY-UNOMPAQXSA-N 353.418 3.859 30 40 FHEB C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2ccccc2c1C#N 32898789 MPCRGGPHQZCEJD-ZDUSSCGKSA-N 354.793 3.975 30 40 FHEB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102874313 QNKQKNXWQCIHQG-WOOAAIBNSA-N 374.371 3.847 30 40 FHEB CCN/C(S)=N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1929351 QSWRXFBAFOKDGR-FYJGNVAPSA-N 357.479 3.894 30 40 FHEB CN(C)c1ccc(/C=N/N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 3065854 CPBHDZCKMMBPJH-XYGMCREWSA-N 367.499 3.988 30 40 FHEB CC(C)(C)C(=O)Oc1ccc(OC(=O)C(C)(C)C)c2c1C(=O)C=CC2=O 4273518 ZIJIRATZFGASFD-UHFFFAOYSA-N 358.390 3.525 30 40 FHEB biogenic c1ccc(CN2CCC(=NNc3nnc4c(n3)[nH]c3ccccc34)CC2)cc1 4564953 MKSQHKNYFULNLM-UHFFFAOYSA-N 371.448 3.570 30 40 FHEB C#CCOc1ccc(Br)cc1C(=S)N1CCC(C)CC1 6272939 LANJPXJDBYDHNM-UHFFFAOYSA-N 352.297 3.869 30 40 FHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(Cl)cc2c1OCOC2 6466556 WJVJADONSNCUSA-LBPRGKRZSA-N 373.792 3.589 30 40 FHEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCCC1 12629820 FFZXTWZODONBGX-AWEZNQCLSA-N 356.495 3.879 30 40 FHEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 12935034 HSMHVTUMIMDKCI-UHFFFAOYSA-N 371.843 3.699 30 40 FHEB CC(=O)c1ccc(OCCCC(=O)N(C)Cc2cccc(C#N)c2)cc1 25293467 LRQSJKPUYORUNQ-UHFFFAOYSA-N 350.418 3.578 30 40 FHEB C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(CC)cc2)n[nH]1 42212301 DNZJCXIXCFHAHI-CQSZACIVSA-N 358.511 3.939 30 40 FHEB COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 59457331 GBKGHBSNCPSLCQ-LICLKQGHSA-N 365.414 3.673 30 40 FHEB CCc1ccc(CN(C)CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1 96524742 WLJPKRXNRHGDRO-LJQANCHMSA-N 370.456 3.918 30 40 FHEB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13OC[C@@H](C[C@@H]12)[C@]1(C(C)C)O[C@H]13 104135415 JUHNXYHDDHYJAM-HOMGOPOBSA-N 362.510 3.965 30 40 FHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O 169684100 WCNOMTXXYDUQJZ-RAVCAQFDSA-N 374.440 3.770 30 40 FHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2cc(Cl)ccc21 1320485 USLVDJSHDUCUQT-HXUWFJFHSA-N 355.821 3.642 30 40 FHEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nnc1C1CCCCC1 9456815 GGEBLQMDOGHSKF-CQSZACIVSA-N 350.532 3.765 30 40 FHEB COc1ccc([C@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12350633 ALJDGBQIAAKFDF-YZJQUUSSSA-N 354.362 3.940 30 40 FHEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(C)O 118934639 DWOBOIHVETVJBV-HXODDKHPSA-N 350.474 3.578 30 40 FHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccs1 4186938 UIUNWMXQKVVVBW-LSKLOWJMSA-N 368.458 3.979 30 40 FHEB COc1cc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc(OC)c1OC 4679636 RSNQWMDHXXEHPQ-ODCIPOBUSA-N 372.450 3.780 30 40 FHEB C=CCOc1cccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 4611325 VCDFVAHLQRTGBQ-BOPFTXTBSA-N 364.357 3.813 30 40 FHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1ccc2ccccc2c1 7779237 QSNHOSMDACULNY-HXUWFJFHSA-N 370.474 3.530 30 40 FHEB O=C1CCCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 18196717 XUYWGKHIKMRKON-LJQANCHMSA-N 364.357 3.888 30 40 FHEB CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19227844 LMZJTHGBXDKALU-SFHVURJKSA-N 354.450 3.637 30 40 FHEB N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1 84525300 DMYUCWVYQWJQIW-HXUWFJFHSA-N 358.445 3.947 30 40 FHEB CC1CC[N+]2(CC1)CC(=O)O[C@H](Cn1c3ccccc3c3ccccc31)C2 95116857 GEPQFVCCNMJBPU-JXHCQPQMSA-N 363.481 3.967 30 40 FHEB CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(F)ccc21 585164794 WJPUUSBACLODRF-UHFFFAOYSA-N 361.222 3.863 30 40 FHEB CC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 31082196 ULFYHKAYFCSTHP-UHFFFAOYSA-N 370.408 3.702 30 40 FHEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102543309 WUXMDTAQSWQOMK-LFVOPCPISA-N 359.381 3.902 30 40 FHEB Cc1csc([C@@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)n1 41517604 OXQZCGZMJWVRAZ-AWEZNQCLSA-N 356.838 3.840 30 40 FHEB COc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1 917566 DPIQNLQVBXACBC-GUYCJALGSA-N 369.490 3.902 30 40 FHEB N#Cc1c(NC(=O)CSc2ncnc3ccccc23)sc2c1CCC2 3252940 ZIQSMBMNOSEEQU-UHFFFAOYSA-N 366.471 3.782 30 40 FHEB Cn1ccnc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 9367245 ZBMFAYWGSQVLTM-KRWDZBQOSA-N 351.341 3.541 30 40 FHEB C=CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 4436256 FGZMPYPUEQXASG-MRXNPFEDSA-N 356.426 3.717 30 40 FHEB C=CCNc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 5783894 YJSPPVLCUVPNRS-NWDGAFQWSA-N 360.508 3.594 30 40 FHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1 5800641 NMUPXGZROVNVQD-SFHVURJKSA-N 371.396 3.568 30 40 FHEB Cc1ccsc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409306588 QEEKUVZEPSVACW-UHFFFAOYSA-N 362.252 3.720 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O 981926 BBKSGEGQZIMOMT-UKTHLTGXSA-N 353.827 3.970 30 40 FHEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 5872335 JKUHIOZKUHEMIM-RGEXLXHISA-N 360.413 3.903 30 40 FHEB Cc1nn(-c2ccccc2)c(COc2cc(F)ccc2[N+](=O)[O-])c1C#N 18250163 PCTDDMBURYMWEQ-UHFFFAOYSA-N 352.325 3.679 30 40 FHEB N#Cc1ccc(N2CCC(C(=O)OCc3cccc(Cl)c3)CC2)nc1 22226236 OYFWMBNQVHFWOU-UHFFFAOYSA-N 355.825 3.566 30 40 FHEB Cc1ccc(S(=O)(=O)N(C[C@@H]2CO2)c2cccc3ccccc23)cc1 864115 SPACVELASPQXOA-QGZVFWFLSA-N 353.443 3.742 30 40 FHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1C 6223402 XELFTNMRZZNSBF-UHFFFAOYSA-N 370.522 3.981 30 40 FHEB Cc1cc(Nc2ccc(N/N=C3\C=CC(=O)c4ncccc43)cc2)nc(C)n1 100327166 KOHDKXMQYZAGIW-OVVQPSECSA-N 370.416 3.801 30 40 FHEB C=CCN(CC=C)C(=S)NC(=O)C(c1ccccc1)c1ccccc1 2136573 XNDVDOXKTRQCOY-UHFFFAOYSA-N 350.487 3.894 30 40 FHEB CC(C)c1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1 6050035 GFUFMIZBTAOYRK-AGKWGAAGSA-N 367.474 3.680 30 40 FHEB COc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCC3 14119817 QRLVAMWPEUCMLX-UHFFFAOYSA-N 369.471 3.560 30 40 FHEB CCOc1cc(C#N)ccc1OC(=O)c1ccn(-c2cccc(F)c2)n1 67538923 BGJBPKOTYXWQTO-UHFFFAOYSA-N 351.337 3.501 30 40 FHEB N#CCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8328896 MGBJRWSNEJQZHC-INIZCTEOSA-N 351.431 3.506 30 40 FHEB Cc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccco1 409297609 UGFQSLGRTDJGRV-MPGSHMRJSA-N 358.195 3.608 30 40 FHEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3F)CC1)O2 225823514 VSFHUKQGSOYBGC-UHFFFAOYSA-N 350.393 3.697 30 40 FHEB Cc1ccc(-c2nc(C#N)c(N(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1775975112 DTTMBGSEOUVTLY-UHFFFAOYSA-N 367.430 3.655 30 40 FHEB CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/C)N(C)C3=O)o2)cc1 5598613 SQGJGOPJORHCHF-NIPZQEADSA-N 370.430 3.655 30 40 FHEB CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2ccc(C#N)cc2)c1 32797242 PTKFWYCBVLHLSE-UHFFFAOYSA-N 357.479 3.509 30 40 FHEB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2C#N)cs1 12564490 XBURPCDOLBQLOU-UHFFFAOYSA-N 374.469 3.991 30 40 FHEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C(C)C)cc1 5690187 SPOHOLGIFJAILQ-MRXNPFEDSA-N 359.451 3.509 30 40 FHEB O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 409033650 GAPBJIYIYHDWPC-PVOVUMCXSA-N 367.608 3.962 30 40 FHEB C=CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(C#N)cc1 7122419 LJVHQYCDJCJGAU-UHFFFAOYSA-N 374.849 3.645 30 40 FHEB COc1cc(C#N)ccc1OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 7813866 OHRXIEPYGQQVRU-QPJJXVBHSA-N 358.737 3.747 30 40 FHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(O)cc1 409107698 UBEHYIWVQKNOMQ-RGVLZGJSSA-N 351.366 3.549 30 40 FHEB OC(=Nc1n[nH]c(C2CCC2)n1)c1cc2sc(N3CCCC3)nc2s1 330001971 AQOWRHHVSGQHLW-UHFFFAOYSA-N 374.495 3.980 30 40 FHEB N#Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 11620742 OTJYDCUOTUBRQR-UHFFFAOYSA-N 354.841 3.862 30 40 FHEB Cn1c(/C(C#N)=N/Nc2ccc(Br)cc2)nc2ccccc21 5337973 YBINFWBYIPNNLU-KGENOOAVSA-N 354.211 3.676 30 40 FHEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(Br)cc2)o1 8227844 PPCSHFDVPFCNHM-LZYBPNLTSA-N 363.240 3.780 30 40 FHEB Cc1ccc(N2C(=O)C[C@H](Sc3nc(C4CC4)ccc3C#N)C2=O)cc1 18197707 PGSIDRWXJUSZHW-KRWDZBQOSA-N 363.442 3.563 30 40 FHEB C=CCn1c(SCc2nc(-c3ccco3)no2)nc2sccc2c1=O 32754517 LAYRINSYBPNQIX-UHFFFAOYSA-N 372.431 3.579 30 40 FHEB COc1ccc([C@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)cc1 4350344 QBQSTUROZAEQBD-DEOSSOPVSA-N 368.432 3.563 30 40 FHEB N#Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 15567470 QUXJZHLEYMYSBI-UHFFFAOYSA-N 367.364 3.611 30 40 FHEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 16405561 ZNTALZWKJXOKFB-UXBLZVDNSA-N 358.390 3.626 30 40 FHEB Cc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)c(C)c1 21688697 FBULJOVPVDZGOX-LJQANCHMSA-N 356.495 3.636 30 40 FHEB N#Cc1ccc(F)c(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 30590405 HOWXJMDCBXLHCK-IBGZPJMESA-N 366.440 3.874 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1coc(-c2ccccc2)n1 36858715 MHYAHPWLXDUNIA-MFOYZWKCSA-N 356.447 3.874 30 40 FHEB Cc1noc2c1[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(CC(C)(C)CC1=O)N2 72332307 YZHQJENTUMVBBD-MRXNPFEDSA-N 369.377 3.797 30 40 FHEB N#Cc1cccc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 79051076 ZFESXXSRCPXONM-UHFFFAOYSA-N 371.893 3.653 30 40 FHEB CCOc1ccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)cc1OCC 96635045 VVKJUTIAQXQXLL-GZTJUZNOSA-N 362.385 3.700 30 40 FHEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 408537569 WIBNUBFTICMQAW-OAHLLOKOSA-N 369.808 3.558 30 40 FHEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc(C)o1)C2 585106970 MMTSMAZHGQTHBS-QFIPXVFZSA-N 374.444 3.521 30 40 FHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 47642560 SDCCTDRINQFXQD-KUHUBIRLSA-N 368.481 3.721 30 40 FHEB O=C(N(O)c1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 1648069 BXRDPFUDDFOFSK-UHFFFAOYSA-N 353.805 3.998 30 40 FHEB N#CCCSc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 95953569 UFXDRABFEGNTIV-UHFFFAOYSA-N 354.431 3.992 30 40 FHEB Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccs1 48356454 MCGGTWMWAPERRT-UHFFFAOYSA-N 371.443 3.916 30 40 FHEB CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409130213 ITHHWBGQRVATSM-HYARGMPZSA-N 356.397 3.590 30 40 FHEB C=CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)SC1=S 409108726 VOUSMLRPMARXEF-PTNGSMBKSA-N 370.455 3.563 30 40 FHEB COc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)cc1 16217387 OVIKNVFKHHFMNE-UHFFFAOYSA-N 370.456 3.769 30 40 FHEB COCc1cc(C)nc(N/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N 16267759 ZREPKBHVHHWNSG-IFRROFPPSA-N 365.220 3.867 30 40 FHEB CN(C)c1ccc(/C=N/Nc2nc3ccccc3n2C)cc1Br 7343384 TXXQEFBBHXUCFJ-YBFXNURJSA-N 372.270 3.848 30 40 FHEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1C[C@H](C)C[C@@H](C)C1 5592027 BNJHKNQUWDOONF-SPGKDHHISA-N 371.403 3.972 30 40 FHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102497216 TUFCJRJHWYSTKJ-NHFXJNLRSA-N 370.408 3.704 30 40 FHEB O=C(/C=C/C(=O)c1ccccc1O)OCc1ccc(Br)cc1 24835279 HWLCFQMGVBNEAR-MDZDMXLPSA-N 361.191 3.637 30 40 FHEB CC(=O)n1cc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc23)c2ccccc21 2035101 DNICPMNSMMDTEO-INIZCTEOSA-N 357.365 3.940 30 40 FHEB COc1ccc([C@@H](C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1OC 2124054 MFEONICBEYWTEG-OAHLLOKOSA-N 357.406 3.579 30 40 FHEB biogenic COc1ccc(/C=C\C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1OC 4648789 UJNOJIPDRNVLCM-DAXSKMNVSA-N 366.369 3.720 30 40 FHEB CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 229937292 JJEBKVFRHNKOBW-PIZFTLQDSA-N 374.477 3.838 30 40 FHEB CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 672367 MSOBSEFNQYOFBK-HMMYKYKNSA-N 358.463 3.620 30 40 FHEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(N2CCOCC2)s1 3273512 QNDQQFUYZCZHJW-XDHOZWIPSA-N 374.535 3.522 30 40 FHEB C=CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(OC)c21 100909558 OOVIITYBWASBSY-HNENSFHCSA-N 369.402 3.547 30 40 FHEB Cc1nc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2s1 23883133 WOOBHROQRFIONW-UHFFFAOYSA-N 367.478 3.903 30 40 FHEB C[S@](=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N 3104726 YYISMIRYLIQPGG-XMMPIXPASA-N 352.337 3.567 30 40 FHEB Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3n2CCC#N)o1 12531808 WYDRONXHRUDNGH-UHFFFAOYSA-N 368.462 3.602 30 40 FHEB Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 24983721 JUHAOXARSBCANU-UHFFFAOYSA-N 366.446 3.782 30 40 FHEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S1 59364452 MJVUTRGUVGLBRQ-YVLHZVERSA-N 370.405 3.511 30 40 FHEB N#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c1 60135441 MISNYTVNHMNZKT-QZTJIDSGSA-N 372.428 3.814 30 40 FHEB CCCOc1nc2nc(-c3ccco3)n(Cc3ccco3)c(N)c-2c1C#N 2591585 IDUDBGSXGVNPES-UHFFFAOYSA-N 363.377 3.527 30 40 FHEB C=CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 12785143 NQZROEZKLWVPQZ-VGOFMYFVSA-N 365.429 3.615 30 40 FHEB C#CCOc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OCC 96032380 LYHPAWJSBXBIFJ-QGOAFFKASA-N 370.474 3.600 30 40 FHEB Cc1ccccc1/N=C1\SCCN1C(=O)c1ccc2c(c1)OCCO2 3345922 PIUKINLGIVJZFS-VXPUYCOJSA-N 354.431 3.643 30 40 FHEB COc1ccc(C(=O)/C=C/N2CCc3cc(O)c(OC)cc3[C@@H]2C)cc1 4028230 CLJHHIMFBPOUKU-MARXPDLDSA-N 353.418 3.725 30 40 FHEB CC/N=C1\S/C(=C\c2cccn2-c2ccc(OC)cc2)C(=O)N1CC 4704734 CTTXVUORKGUYPK-CJGMICOPSA-N 355.463 3.798 30 40 FHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccnc1)c1c(O)n[nH]c1N2 18196567 YOIXQZVDIRDSSA-NHYWBVRUSA-N 364.430 3.530 30 40 FHEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 225053466 MYLWWDAEQQEPBP-UHFFFAOYSA-N 367.426 3.950 30 40 FHEB CCc1ccc2c(c1)/C(=N/Nc1ccccc1C)C(=O)N2C1CSC1 223724647 ZTHRLISVGIKNRR-QOCHGBHMSA-N 351.475 3.836 30 40 FHEB C=CCn1c(-c2ccccc2)csc1=Nc1ccc(S(=O)(=O)O)cc1 254307612 LULYBIHFXKWWBQ-UHFFFAOYSA-N 372.471 3.882 30 40 FHEB O=C(C[C@H]1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccc(Cl)cc1 5813694 QUSLOWPOENELTJ-OAHLLOKOSA-N 360.822 3.538 30 40 FHEB C/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc2ccccc2oc1=O 5535822 AWAFYSYYNBXRTB-OEAKJJBVSA-N 373.412 3.732 30 40 FHEB N#Cc1ccccc1-c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 22415008 XSJHHHMBTSSYHL-UHFFFAOYSA-N 374.421 3.570 30 40 FHEB COC(=O)C1=C(SC)N(c2ccccc2)[C@H](c2ccccc2)CC1=O 707798 YJQAUBWMXFNMRG-INIZCTEOSA-N 353.443 3.955 30 40 FHEB C=CCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1cccs1 1366371 QDAFHSRKAPLKQG-AWEZNQCLSA-N 374.428 3.815 30 40 FHEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 6022265 FIHQRDOWAQYTBT-KRWDZBQOSA-N 358.825 3.802 30 40 FHEB Cn1cc(/C=N/OCc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 10842241 IUMVRRSEUKCYDH-LPYMAVHISA-N 363.417 3.799 30 40 FHEB C=CCN/C(S)=N/N=C\c1ccc(OCCc2ccccc2)c(OC)c1 12374203 GBZWIMBVNXTEMJ-JCMHNJIXSA-N 369.490 3.712 30 40 FHEB N#Cc1ccccc1-c1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1 14187293 MUBBVOUEWUFOSR-UHFFFAOYSA-N 359.429 3.980 30 40 FHEB CC(=O)Nc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1 6686811 MNSSGCRKEJBXDX-YBFXNURJSA-N 351.435 3.757 30 40 FHEB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@H]21)c1ccccc1 409370155 MCFPMGBBVDJZAI-MCEIDBOGSA-N 366.420 3.953 30 40 FHEB CSc1nc(NC[C@H](C)O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820381 PDHXXSOFSCEAGC-LBPRGKRZSA-N 356.495 3.827 30 40 FHEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(Cl)c1O 137317961 UWRGRKNMDJRUJF-QRIYPMNQSA-N 366.851 3.929 30 40 FHEB N#Cc1cccc(C2(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)c1 610975707 RGWAIFFLDPEOPC-OAHLLOKOSA-N 352.821 3.568 30 40 FHEB Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cn1 585294171 OXODNOQHVOHGLA-HXUWFJFHSA-N 371.448 3.527 30 40 FHEB C[C@H](NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@@H]21)c1ccccc1 12885487 UARIRGJWHKWMHN-OUQIQMHSSA-N 369.505 3.863 30 40 FHEB biogenic O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccco1)n1ncnc1N2 16996467 PQHRQKQFDLZTQA-XIKOKIGWSA-N 366.808 3.940 30 40 FHEB O=C(/C=C/c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 100508864 RKZOLUFQUQJXJG-ZONUCSCSSA-N 369.420 3.894 30 40 FHEB CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4436278 ANBUWIJDJADGSB-INIZCTEOSA-N 354.479 3.967 30 40 FHEB COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2)cc1 4889387 CQRVAOVGELNQBP-IHQJQDDPSA-N 353.447 3.549 30 40 FHEB CN(C)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5151422 QRIPSMJYNDDUNL-OBGWFSINSA-N 357.262 3.691 30 40 FHEB O=C1N/C(=N/c2ccccn2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 6475623 CMWNAQQAYNOKHR-GFCCVEGCSA-N 352.246 3.850 30 40 FHEB COc1ccc(C(=O)/C=C/c2ccc(I)o2)cc1 7939546 XOIFDJPJFFFKEE-SOFGYWHQSA-N 354.143 3.789 30 40 FHEB N#Cc1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCC2 7990014 OWKKXNBSNPMPJV-CQSZACIVSA-N 357.504 3.946 30 40 FHEB COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 24992558 LYGGSXJVRAYJTF-LBPRGKRZSA-N 370.478 3.731 30 40 FHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2c(=O)[nH]1 32908467 PJQCRWWLXRWRST-UHFFFAOYSA-N 365.392 3.575 30 40 FHEB Cc1cc(C)c2nc(NCCNC(=O)c3ccccc3F)c(C#N)cc2c1 35289000 KETCEIDZZYDXPO-UHFFFAOYSA-N 362.408 3.704 30 40 FHEB O/C(CCCc1nc(-c2cccs2)no1)=N\c1nc(C(F)(F)F)n[nH]1 48312106 DAXKENSXJVVWPM-UHFFFAOYSA-N 372.332 3.546 30 40 FHEB Cc1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c(C)o1 85474060 YOABOGAMXPKOTI-UHFFFAOYSA-N 351.324 3.727 30 40 FHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223057842 HCXXEBNTYIGYRR-NRFANRHFSA-N 364.489 3.585 30 40 FHEB CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242390290 AIUKZDUSEVHBEA-NJDAHSKKSA-N 369.486 3.790 30 40 FHEB N#Cc1ccc(CN2[C@H]3CC[C@H]2[C@@]2(CCN(c4ccccc4)C2=O)C3)cc1 306132026 KVWJLMPCTLXTRT-QNWVGRARSA-N 357.457 3.718 30 40 FHEB CC1=C(N/N=C(\C#N)c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)[C@@H]1C 1554504427 IHMQAYQUPQIZFP-WIZODGAUSA-N 369.428 3.657 30 40 FHEB COC(=O)c1cccc(-c2ccc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)o2)c1 100278551 ZADWMMUVSXNCNP-SRZZPIQSSA-N 361.357 3.653 30 40 FHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632496 OPCBTWZIBXRBKH-JUXOCIIHSA-N 362.429 3.552 30 40 FHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCC 12390835 IUQFCMURUYDVAH-UHFFFAOYSA-N 360.479 3.862 30 40 FHEB COCC(C)(C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 95463848 KXTYQFOANFOPGF-UHFFFAOYSA-N 371.525 3.598 30 40 FHEB Cc1nc(-c2ccccc2)nc(SCC(=O)Nc2nccs2)c1C#N 27789349 BQGUJBGGBHCCND-UHFFFAOYSA-N 367.459 3.511 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)CN3CCn4cccc4[C@@H]3C)c2C#N)C1 12871973 HOZOLXLZYLTADS-KBPBESRZSA-N 368.506 3.561 30 40 FHEB COc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)c(OC)c1OC 3911098 AYENLEHJVYOYCP-CSKARUKUSA-N 366.369 3.715 30 40 FHEB biogenic O=C(/C=C/c1ccco1)c1cccc(NS(=O)(=O)c2ccccc2)c1 60101651 UXRKEEQXWILITP-VAWYXSNFSA-N 353.399 3.977 30 40 FHEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 20533500 VQPIQPNNLWOARI-AXLWCPOOSA-N 350.418 3.778 30 40 FHEB C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O 409094277 DEFMTBVHROYJJL-RIYZIHGNSA-N 353.827 3.970 30 40 FHEB CCOC(=O)c1ccc(N/C(=C\C(=O)C(F)(F)F)c2ccncc2)cc1 408738701 MQWKLDRZYSBZGL-PTNGSMBKSA-N 364.323 3.843 30 40 FHEB N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 14250108 AHAXZEFTZCCOSG-UHFFFAOYSA-N 372.833 3.950 30 40 FHEB C=CCN1CCC[C@](C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1 19530065 IKDMKALNULPKOB-HRAATJIYSA-N 374.456 3.540 30 40 FHEB O=C1Nc2ccccc2[C@H]1/N=C(\S)Nc1ccc(Br)cc1 5594013 FYRDIMCQJWYQOS-CYBMUJFWSA-N 362.252 3.840 30 40 FHEB C=CCNc1nc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cs1 26098492 MUEIUDRCAPIHCE-NSHDSACASA-N 356.407 3.709 30 40 FHEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C(\C)c1ccc(O)cc1O 101156919 CZVJEVNVHSVYQB-JZMJZRGMSA-N 357.410 3.570 30 40 FHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 4460971 JPFDQUXGLASESB-VFOOBRQFSA-N 371.437 3.806 30 40 FHEB C/C(=N\O)c1cc2cc(Br)cc(Br)c2oc1=O 4592860 DQDYBUIXPXXNMQ-LHHJGKSTSA-N 360.989 3.516 30 40 FHEB Cc1cccc(OCCSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 5238204 UTWDWUMQRSWLGX-UHFFFAOYSA-N 363.442 3.788 30 40 FHEB CCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(C)c1 5452234 OLFWQCIUBSRCEA-INIZCTEOSA-N 360.417 3.973 30 40 FHEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C)C[C@@H](C)C1 5592026 BNJHKNQUWDOONF-QVAKCACLSA-N 371.403 3.972 30 40 FHEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 5861017 AWPVFTSSMYIHRD-HNNXBMFYSA-N 367.474 3.835 30 40 FHEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@H](C)C(=O)O 5881211 IWMFBNHAWNXIBA-VBYYMIJXSA-N 356.399 3.877 30 40 FHEB COc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 12631533 HPULYGDDRKJDDA-UHFFFAOYSA-N 369.467 3.957 30 40 FHEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1cccc(Cl)c1 13096049 PNWCZEPZIRXSLB-YBEGLDIGSA-N 353.871 3.751 30 40 FHEB N#Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl 15623788 IAMILYDUNYRKSW-UHFFFAOYSA-N 355.781 3.538 30 40 FHEB O/C(CN1CCC[C@@H]1Cn1cccn1)=N\c1nnc(C2CCCCC2)s1 19714152 KFQUXWRBOCOHDN-OAHLLOKOSA-N 374.514 3.535 30 40 FHEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccccc1F 20029528 JPCGBHOAFKVTOZ-SNVBAGLBSA-N 352.394 3.672 30 40 FHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC 20107363 OYWQZJCIZFVBIW-HNNXBMFYSA-N 352.434 3.571 30 40 FHEB N#Cc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 23718617 CAGZLKOCKYAFSO-VMPITWQZSA-N 371.893 3.631 30 40 FHEB C#CCOc1ccc2ccccc2c1/C=N/S(=O)(=O)c1ccc(C)cc1 100387354 YXHUOJYFSLZDSP-PXLXIMEGSA-N 363.438 3.968 30 40 FHEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccco1)c1ccco1 796025 WZWXEEOMFQTLAH-GOSISDBHSA-N 363.369 3.694 30 40 FHEB CCCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CCC)n2cnnc2S1 4518261 JGAWGTMDMBCOAG-UHFFFAOYSA-N 374.441 3.526 30 40 FHEB Cc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 5446308 ITKZKPWOBLYASJ-HNNXBMFYSA-N 372.218 3.623 30 40 FHEB Cn1/c(=N\C(=O)c2ccc(C#N)cc2)sc2cc(Br)ccc21 13208429 UGODTGUXZSFALR-KNTRCKAVSA-N 372.247 3.615 30 40 FHEB CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 26807967 NFSHPOFMBFJDFL-AWEZNQCLSA-N 350.871 3.535 30 40 FHEB COc1ccc(CCCN(C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 72312065 MVKDGMWJIQFFIK-UHFFFAOYSA-N 371.506 3.748 30 40 FHEB C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)OCC)nnc1C1CC1 77216724 VSYOPBQDUSVGPA-INIZCTEOSA-N 357.479 3.608 30 40 FHEB COc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc([N+](=O)[O-])c1O 96925170 DWTPRSKGMSKZFD-YHYXMXQVSA-N 361.350 3.820 30 40 FHEB C=CCN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1 257173782 WYVOFARKNQWTCF-UHFFFAOYSA-N 353.441 3.576 30 40 FHEB C=CCn1c(CCCC)nnc1SCC(=O)N[C@@H](C)c1ccccc1 408560170 CGNXTFSNJDJHKQ-HNNXBMFYSA-N 358.511 3.776 30 40 FHEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C 408929449 JPTLKUZBQLHIAW-WZOFUNJYSA-N 356.422 3.937 30 40 FHEB N#Cc1cccc(C2(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 610975706 RGWAIFFLDPEOPC-HNNXBMFYSA-N 352.821 3.568 30 40 FHEB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(C#N)cc2)c(OC)c1 49546045 KNGLWPFMPRHMCE-MRXNPFEDSA-N 374.400 3.885 30 40 FHEB O=S(=O)(/N=C(/Nc1cccnc1Cl)c1ccccc1)c1ccccc1 6140594 BMEACOBQSQPOHW-UHFFFAOYSA-N 371.849 3.983 30 40 FHEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1 4436057 WRTQBTBRPXLROP-OAHLLOKOSA-N 358.492 3.744 30 40 FHEB CC(C)(C)c1ccc(OCCOc2ccc(/C=N/NC(N)=S)cc2)cc1 4511055 ATFDOYKVOIKCOH-HYARGMPZSA-N 371.506 3.609 30 40 FHEB C[C@H](c1ccccc1)N(C)CC(=O)NCCSCc1ccccc1C#N 16695768 OIKFOAZJRDTISB-QGZVFWFLSA-N 367.518 3.601 30 40 FHEB Brc1ccc(-c2cs/c(=N\N=C\c3cccnc3)[nH]2)cc1 18254977 GDQLKPLBVSEWKS-GIJQJNRQSA-N 359.252 3.836 30 40 FHEB N#Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br 95081272 DSFRBPUOCSVAIB-UHFFFAOYSA-N 356.267 3.643 30 40 FHEB Cc1cc(N2CCC(C3(NC(=O)[C@H](C)CC(C)C)CC3)CC2)c(C#N)cn1 1775992208 PZACKYJKMMMYMG-MRXNPFEDSA-N 368.525 3.809 30 40 FHEB Cc1nc(N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc1C 6200931 NOZZCBRPXZKSMW-LHHJGKSTSA-N 371.216 3.582 30 40 FHEB CCOc1ccc(NC(=O)c2cn[nH]c2/N=C/c2ccccc2O)cc1 21658601 VXCHZVQUAKJWLK-RGVLZGJSSA-N 350.378 3.517 30 40 FHEB COc1cc(OC)c(/C=N\n2c(-c3ccccc3)n[nH]c2=S)c(OC)c1 684046 CLJWGOFDPZICCW-ODLFYWEKSA-N 370.434 3.516 30 40 FHEB COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCCCC2)cc1 3438789 OEPJTIFGJLKJRQ-OAQYLSRUSA-N 363.461 3.524 30 40 FHEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 4115474 BERDWZSQGYIDJR-WOJGMQOQSA-N 368.408 3.584 30 40 FHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 6907725 UFGKNKALAUSVDW-CQSZACIVSA-N 365.462 3.645 30 40 FHEB C#CCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543498 MHJQFURTGLTILH-INIZCTEOSA-N 359.429 3.589 30 40 FHEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1OC 14398760 ZNSCPLQHUUOWCW-UHFFFAOYSA-N 364.445 3.912 30 40 FHEB C=C(C[C@H](CN1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 20791612 RDQKZBUUAHHHIL-OAQYLSRUSA-N 363.457 3.647 30 40 FHEB COC[C@H](C)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 24754977 SMNSAWDLAJFFFJ-AWEZNQCLSA-N 365.458 3.768 30 40 FHEB N#Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c1 60135435 MISNYTVNHMNZKT-HDICACEKSA-N 372.428 3.814 30 40 FHEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3O)S2)c(C)c1 408721454 QUPHRFUAHKVOLL-DHDCSXOGSA-N 369.402 3.809 30 40 FHEB CC(C)CNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3273385 TYAPBPVBIUPYCO-UHFFFAOYSA-N 368.458 3.638 30 40 FHEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(-c2ccccc2)c1C 8705591 NBMYKWVNLBZSHG-UHFFFAOYSA-N 369.475 3.548 30 40 FHEB C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1ccc2c(c1)CC(=O)N2 98054882 BFNGQNYIRUCIHQ-LSHDLFTRSA-N 351.435 3.639 30 40 FHEB CCOc1cc2c(cc1O)/C(=N\OC)C[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 38180745 UEBKXOVVEDPLRF-MGOOYTPNSA-N 359.466 3.816 30 40 FHEB C=CCOc1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 225317105 BUPVWZCXTBYTJY-UHFFFAOYSA-N 372.490 3.798 30 40 FHEB N#Cc1cccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 96261334 TUAJLPJFOMSXME-FCHUYYIVSA-N 360.457 3.811 30 40 FHEB N#Cc1cccc(C2(NC(=O)CC3CCC(F)(F)CC3)CCOCC2)c1 585123934 QMXHDPHGCMKJFZ-UHFFFAOYSA-N 362.420 3.896 30 40 FHEB C[C@@H]1Cc2cc([C@H](O)CN3CCC(C#N)(c4ccccc4)CC3)ccc2O1 13999868 YZOLXXUFBBCWAZ-DYESRHJHSA-N 362.473 3.601 30 40 FHEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc2c(c1)OCCO2 6251617 WPBDFGNAZJDXHK-AWQFTUOYSA-N 367.283 3.831 30 40 FHEB COc1ccc(C)cc1/N=C1\SCC(C)(C)N1C(=O)C1CCOCC1 23271008 VBSLBGZBWXTRIN-ZZEZOPTASA-N 362.495 3.772 30 40 FHEB COCCCNC(=S)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2770848 YMJXMGWKCYGBCM-UHFFFAOYSA-N 364.286 3.585 30 40 FHEB N#Cc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3316354 SHEAHQVKXYYWDZ-UHFFFAOYSA-N 370.408 3.621 30 40 FHEB O=c1[nH]c(N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 4158765 QQPOPYVTSLVVNO-DJKKODMXSA-N 360.204 3.585 30 40 FHEB CCc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 5477347 PTPFQACVIHNIFF-FYJGNVAPSA-N 364.405 3.706 30 40 FHEB O=C(O)C[C@H]1S/C(=N/c2ccc(Cl)cc2C(F)(F)F)N=C1O 5630900 DNMRZNDKUVMIFG-MRVPVSSYSA-N 352.721 3.893 30 40 FHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 6813188 NZJBEITWUKRMOI-QGZVFWFLSA-N 371.458 3.671 30 40 FHEB C=CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccco1 7341764 CLDAJTDUZCHKKE-UHFFFAOYSA-N 357.435 3.904 30 40 FHEB CC1=NN(c2ccccc2)C(=N)/C1=N/c1c(C)nn(-c2ccccc2)c1N 16249337 JSAHBDBSERNJIA-XTJHJXNWSA-N 357.421 3.709 30 40 FHEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 19859110 OQHVLVVUWZWDAA-YBEGLDIGSA-N 370.836 3.708 30 40 FHEB COc1cc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1O 57525114 AHRTYILNRPALTE-LBPRGKRZSA-N 364.323 3.741 30 40 FHEB CSc1c(C#N)c(N)nc2c(/N=N/c3ccc(Cl)cc3)c(N)nn12 104824296 UFUFIRWPMJJMFM-QZQOTICOSA-N 358.818 3.556 30 40 FHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223118373 YUINZJSVHCWFKR-FQEVSTJZSA-N 370.880 3.602 30 40 FHEB CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)Cc1cccc(C#N)c1 507386768 WGDHMCVJZGQKNG-UHFFFAOYSA-N 368.380 3.539 30 40 FHEB N#Cc1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)c(Cl)c1 1565522640 MGDMHVCZUZGFKF-UHFFFAOYSA-N 369.856 3.569 30 40 FHEB COc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2C#N)ccc1OC1CCCC1 1615555842 XZPZSAUPIVLFDQ-AEFFLSMTSA-N 371.481 3.898 30 40 FHEB CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C[C@H](OC)[C@H]1C 2332243399 QTXLWZOBBNIAHP-NZNBWNTHSA-N 366.498 3.746 30 40 FHEB C[C@H]1CCc2c(sc(NC(=O)Cn3cnc4ccccc43)c2C#N)C1 12551448 QDKIKOKDUMSHIZ-LBPRGKRZSA-N 350.447 3.733 30 40 FHEB C#CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 4997984 HQPBQGCSTSLTAI-LFIBNONCSA-N 367.788 3.705 30 40 FHEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 6295380 DWONKDYHJKZAIQ-GOSISDBHSA-N 351.427 3.505 30 40 FHEB Cc1ccc(-c2noc(SCC(=O)Nc3ccccc3C#N)n2)cc1 7605517 CDFKTRKHIKVDPJ-UHFFFAOYSA-N 350.403 3.648 30 40 FHEB CCOC(=O)/C(=C/n1c(=S)[nH]c2ccccc21)C(=O)c1ccccc1 8651900 PLJNLLYOTQEQHN-WYMLVPIESA-N 352.415 3.986 30 40 FHEB N#Cc1c(CN2c3cccc4cccc(c34)S2(=O)=O)cn2ccccc12 58050389 PJZNRRWSCNCLJR-UHFFFAOYSA-N 359.410 3.673 30 40 FHEB CCOc1cccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)c1 107935842 MSJLPSJZSOHBQO-QNORNXTCSA-N 359.476 3.917 30 40 FHEB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H]1O/C(=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1=O 100367430 RSIBIUSOHOXXOW-ZHOOBCBISA-N 370.489 3.875 30 40 FHEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5559318 XCYHZNZLVLQCAT-MRXNPFEDSA-N 371.780 3.759 30 40 FHEB Cc1noc(C)c1/C=N/NC(=S)Nc1ccc(SC(F)F)cc1 5687974 ZJCLKNYNJIORJC-REZTVBANSA-N 356.423 3.927 30 40 FHEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)Nc1ccc(Cl)cc1 4786021 WIYKUELSOJSGPU-SFQUDFHCSA-N 359.706 3.992 30 40 FHEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 6786234 GHGQUZNMXXTRLD-QGZVFWFLSA-N 371.820 3.565 30 40 FHEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCO3)cc1 4868921 GKWZWVHIVBIIST-UDWIEESQSA-N 357.435 3.525 30 40 FHEB C#CCN(Cn1c(-c2ccccn2)csc1=O)[C@H]1CCc2ccccc21 68614299 DMIGBCZEJJLUSY-IBGZPJMESA-N 361.470 3.552 30 40 FHEB N#Cc1ccccc1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422547 GFFUCTRGFGZJHT-UHFFFAOYSA-N 360.383 3.684 30 40 FHEB CCCCCCCC(=O)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 8454090 IXIOGPPKPZYKJQ-MRXNPFEDSA-N 357.376 3.629 30 40 FHEB CCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nc2ccccc21 8719709 LAJFJKYQTYURCE-UHFFFAOYSA-N 354.435 3.869 30 40 FHEB COc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408729898 DZUVMBVOKOTNJE-IBGZPJMESA-N 368.458 3.700 30 40 FHEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225924332 LWUBVPONTAPEMY-UHFFFAOYSA-N 369.494 3.732 30 40 FHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1Cl 1045446 WCVQMHTZKSEZTB-AWEZNQCLSA-N 359.838 3.588 30 40 FHEB CC(=O)c1cc(/N=N/c2ccc(C#N)cc2C#N)c(N2CCOCC2)s1 16321891 UDNQGXMGQZOWAF-QURGRASLSA-N 365.418 3.946 30 40 FHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 5372899 WLTIQQVPQMDHJP-WJDWOHSUSA-N 352.415 3.839 30 40 FHEB N#Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364487 WEJQKFKYEOGSPU-SFHVURJKSA-N 355.397 3.717 30 40 FHEB CCCn1c(C)cc(C(=O)CO/N=C/c2ccc(C(=O)OC)cc2)c1C 20988280 ULUGTWUJOCBOGA-CIAFOILYSA-N 356.422 3.535 30 40 FHEB CCCCCCC[C@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 102792068 XAFNCYACATWAMF-FQEVSTJZSA-N 357.454 3.608 30 40 FHEB CC(=O)Nc1cccc(OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 33414635 AZKLAVZPMHYNOT-BKUYFWCQSA-N 364.445 3.904 30 40 FHEB COc1cc(CCC2CCN(C[C@@H](C#N)CCC#N)CC2)cc(OC)c1 25307392 PACDXTMNYZFGGL-LJQANCHMSA-N 355.482 3.792 30 40 FHEB COc1cccc(-c2nc(COC(=O)C3(C#N)CCCC3)cs2)c1OC 58030086 UVRNLHVYJDUVPA-UHFFFAOYSA-N 372.446 3.954 30 40 FHEB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(C#N)c1 58226624 MJSTYDAPDVMRKE-UHFFFAOYSA-N 352.344 3.642 30 40 FHEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N 2333153 BBJNNPKWRIYBNX-UHFFFAOYSA-N 361.854 3.792 30 40 FHEB Nc1nc(N)c(/N=C\C=C\c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 104079954 VSLWSTSTUSVHGC-LYYUBLGWSA-N 360.377 3.632 30 40 FHEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546919 OOHMWAADHZSAJO-IENJSVCTSA-N 356.429 3.854 30 40 FHEB Cc1ccc(OCc2nc(C(=O)NCC#Cc3ccccc3)cs2)cc1 12874165 GXCGGYBAZBJOJC-UHFFFAOYSA-N 362.454 3.812 30 40 FHEB C=C(C)COc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1OC 49545960 MPORNKNSPZGZJU-QGZVFWFLSA-N 359.451 3.808 30 40 FHEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cccc(Cl)c1 5389215 FQNTUNXXOHNNQC-ATVHPVEESA-N 355.821 3.871 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccn2)cc1 4811882 GIMLPRYIRCIURM-KGENOOAVSA-N 351.431 3.941 30 40 FHEB COc1ccc(Nc2oc(COc3ccc4c(c3)OCO4)nc2C#N)cc1 32069813 RACOBACLAKEDMO-UHFFFAOYSA-N 365.345 3.606 30 40 FHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223724503 BNDQKECYCYUBKD-UHFFFAOYSA-N 351.855 3.726 30 40 FHEB C=CCn1c(C)cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c1C 5399343 ZGEOXNSJCMATLP-UHFFFAOYSA-N 350.418 3.741 30 40 FHEB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 12823071 ZXTMKWRNXIWIIA-NKSUMMKUSA-N 371.396 3.690 30 40 FHEB O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 2684615 PXJDTGBWXDIDBO-VOTSOKGWSA-O 373.432 3.554 30 40 FHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@H]4C)cnc3c2c1 4028803 QTBQTTBAAXXJAQ-VKSDIDONSA-N 364.449 3.959 30 40 FHEB biogenic CCOc1ccc([C@H](C)NC(=O)COc2ccc(C#N)cc2OCC)cc1 10978850 WXNSNIDAFUICLX-HNNXBMFYSA-N 368.433 3.612 30 40 FHEB CC(=O)/C(=C/NC(=S)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 16958474 LHNZGACOOBUERQ-WJDWOHSUSA-N 373.865 3.738 30 40 FHEB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(C[C@@H](C)CC1=O)N2 22608527 DGVQRGCIYICDLU-DIFFPNOSSA-N 370.478 3.667 30 40 FHEB N#CC1(NC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCC1 32777453 LVNUZZBWXUYKGL-UHFFFAOYSA-N 365.399 3.622 30 40 FHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 224912381 BZCRPHWWYNKYBB-UHFFFAOYSA-N 355.818 3.869 30 40 FHEB COc1ccc(OC)c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c1 7365980 GCJMVSAVGUTUGH-SFHVURJKSA-N 353.378 3.825 30 40 FHEB CCOc1ccc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 8323885 AQYACTRLZYFNDM-RMKNXTFCSA-N 363.421 3.814 30 40 FHEB N#Cc1ccc(OCCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 32747386 YQBLVVKEVVIFLA-UHFFFAOYSA-N 354.793 3.667 30 40 FHEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)C[C@@H](C)C#N 48363425 XMFYWWBTQZCQQF-HBWSCVEGSA-N 370.884 3.833 30 40 FHEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccccc3o1)C2 96039749 KZIDOBSEQSAOPA-TZIWHRDSSA-N 355.434 3.647 30 40 FHEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 97978073 UFEOMHFPJREVTP-WKZKVMAPSA-N 366.457 3.883 30 40 FHEB biogenic,in-vitro CC/N=C1/S/C(=C/c2cc(Cl)c(O)c(OCC)c2)C(=O)N1CC 408929248 IQQNRPKHCFSHFE-PKOZXGCMSA-N 354.859 3.756 30 40 FHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409335845 ZDCXSSLACLPFHM-UHFFFAOYSA-N 370.250 3.994 30 40 FHEB CC[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409356822 HNRLOMUFDBXJBU-GFCCVEGCSA-N 371.824 3.815 30 40 FHEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2ccc[nH]2)C1=O 664792 SOUGNQDMUTYHMY-PTNGSMBKSA-N 370.430 3.567 30 40 FHEB C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 6065083 DRTPYRAANKIQPY-UTSBKAFOSA-N 354.793 3.795 30 40 FHEB CCCCCOc1ccc(/C=N/n2c(S)nnc2CCC)cc1OC 6067024 GJSTUKBRFDXAEW-CPNJWEJPSA-N 362.499 3.979 30 40 FHEB Cc1c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cnn1C 6275649 PAUPBXGVXWRNPT-LJQANCHMSA-N 361.449 3.736 30 40 FHEB C=CCC1=C[C@](OC)([C@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O 13480172 SMOHLDSEWHACKE-SZNDQCEHSA-N 356.418 3.595 30 40 FHEB biogenic,in-vitro N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 27745083 KESDTTSPTFILSB-FQEVSTJZSA-N 374.444 3.699 30 40 FHEB N#CCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 40145073 ZOKOIHDFSABWOU-UHFFFAOYSA-N 369.384 3.551 30 40 FHEB CCOc1cc(/C=N/c2c(C)n[nH]c2C)c(Br)cc1OC 101549911 BTARXENWTPFWSX-CAOOACKPSA-N 352.232 3.947 30 40 FHEB C=CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257236834 HDZTXHZAHIMYJG-UHFFFAOYSA-N 354.425 3.529 30 40 FHEB N#Cc1ccsc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 58158116 VHYXEAKWLFVYKA-UHFFFAOYSA-N 367.455 3.864 30 40 FHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2 9359173 RHDFSFOXMIXPND-QRWLVFNGSA-N 360.392 3.833 30 40 FHEB CCCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 2244569 MGOBKWAROVUNBE-INIZCTEOSA-N 366.465 3.865 30 40 FHEB N#Cc1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 3300008 HGCIGFXWUZZHLS-UHFFFAOYSA-N 364.206 3.790 30 40 FHEB C=CCn1c(S[C@H]2CCCC[C@@H]2O)nc2sc(C)c(C)c2c1=O 89565203 HNUDOOHXSFTJHO-STQMWFEESA-N 350.509 3.656 30 40 FHEB CC(C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 509545899 UKTUOQGTFFOVOU-KRWDZBQOSA-N 364.371 3.949 30 40 FHEB CN(C)c1ccc(/C=N\Nc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 30769985 ZGSKHJYQECWTGV-ZHZULCJRSA-N 353.426 3.707 30 40 FHEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1cncn1 79143167 PIIAQEFWEWSHRV-NWDGAFQWSA-N 357.483 3.562 30 40 FHEB C#CCOC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 226235863 WSNMEAWTBNPQMP-UHFFFAOYSA-N 355.191 3.782 30 40 FHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C)cc1 13139669 RCXLVYBBCZDNSA-HNNXBMFYSA-N 367.474 3.755 30 40 FHEB CCOCC(C)(C)[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 205007322 HCTZKPLQIGQRPR-GYCOGAPNSA-N 364.482 3.539 30 40 FHEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 1424129 AYTAKYRWGVPCKS-KRWDZBQOSA-N 354.450 3.639 30 40 FHEB CN(CCC#N)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 1677759 MZNKYLVKPLWIBF-UHFFFAOYSA-N 352.825 3.577 30 40 FHEB O=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@@H](c2ccc(F)cc2)N1 3175257 XKJQUBQQCPBECX-OAHLLOKOSA-N 364.298 3.722 30 40 FHEB C=CCNc1nc(C(=O)OCc2cc(C(C)=O)ccc2OCC)cs1 3527732 KTCQRICUEWRKAT-UHFFFAOYSA-N 360.435 3.699 30 40 FHEB C=CCOc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 3999958 UFANDRWZJOAHAT-MDRMPYQZSA-N 360.457 3.889 30 40 FHEB biogenic CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)OC)cc2)S1 5376869 IOSLSZNJQFKWLC-ATVHPVEESA-N 366.442 3.927 30 40 FHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 6295389 DWONKDYHJKZAIQ-SFHVURJKSA-N 351.427 3.505 30 40 FHEB CC1(C)Cc2cccc(OCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c2O1 6313649 PQXRPTWXDKPOHZ-AWEZNQCLSA-N 361.401 3.532 30 40 FHEB C=CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(Cl)ccc21 8047989 YUPLAHOFBMTIPE-IBGZPJMESA-N 370.836 3.629 30 40 FHEB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 40050773 YQQWSULLVIBAPC-UHFFFAOYSA-N 365.414 3.855 30 40 FHEB N#Cc1ccc(OCC(=O)c2cnc(N3CCCCC3)s2)c(Cl)c1 57547306 ZRCPLGHNNYUGNU-UHFFFAOYSA-N 361.854 3.920 30 40 FHEB N#CC1(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CCCC1 84525299 DMYUCWVYQWJQIW-FQEVSTJZSA-N 358.445 3.947 30 40 FHEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085215 LGXSTHNLYSKVPC-UHFFFAOYSA-N 368.361 3.563 30 40 FHEB COCc1cc(C)nc(NN=Cc2ccc(Br)cc2)c1C#N 254301695 CVCLOAQHJCVGAT-UHFFFAOYSA-N 359.227 3.617 30 40 FHEB Cc1c(/C=N/NC(N)=S)c2ccccc2n1Cc1ccccc1Cl 409383748 DOZMPNPIIHKJQA-UFFVCSGVSA-N 356.882 3.819 30 40 FHEB