smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)Cc1nc(Nc2ccccc2C#N)c2nnn(Cc3ccccc3)c2n1 1331224 WGHDRBAGOQTISQ-UHFFFAOYSA-N 383.459 4.083 30 40 GIEB CC1(C)Cc2cccc(OCC(=O)[C@H](C#N)c3nc4ccccc4s3)c2O1 2649198 TXMRJPUPGXCTPB-AWEZNQCLSA-N 378.453 4.265 30 40 GIEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3390019 DZQHJBBRPCBHBL-INIZCTEOSA-N 396.512 4.285 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)cc1 6001811 ZFBISEKNIAPWQS-INIZCTEOSA-N 395.528 4.391 30 40 GIEB CN(C)c1ccc(N/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)cc1 12524708 MXSMPAWQJYKXAL-UHFFFAOYSA-N 385.514 4.062 30 40 GIEB O=C(O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(F)cc2)S1 13552290 ILMPJKSFCKNTQC-XAIYEJPOSA-N 392.839 4.086 30 40 GIEB Cc1ccccc1CN1CCN(/C=C/C(=O)c2ccc(OC(F)F)cc2)CC1 20028621 IWGRGNPEQIPHRM-ZHACJKMWSA-N 386.442 4.111 30 40 GIEB N#CCn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 59106028 KKADFBXTTXOJRF-WOJGMQOQSA-N 376.416 4.196 30 40 GIEB CCCCCCCCNC(=S)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 59662309 JTHLICRPOKYGOQ-UHFFFAOYSA-N 388.581 4.202 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 78547335 PTYKLAJCSKOYEU-OAQYLSRUSA-N 393.483 4.388 30 40 GIEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccccc1O 408742484 RFUMZONGPOQYQR-ZSOIEALJSA-N 375.247 4.046 30 40 GIEB C[C@@H](NC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 2370428 JHAUZUIBRFOYAR-IEBWSBKVSA-N 399.498 4.105 30 40 GIEB C=CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1cccc(C)c1 2635003 GYYDQKRESNFZHK-UHFFFAOYSA-N 378.501 4.195 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 3166259 VXKGDCOMRDIQGL-RBBKRZOGSA-N 380.440 4.023 30 40 GIEB O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 6485582 YMOCKJOIASMJTF-OVCLIPMQSA-N 382.412 4.490 30 40 GIEB Cc1ccc(/N=C2/S[C@H](Cc3cc4c(cc3Cl)OCO4)C(=O)N2C)cc1 8371718 IBTDZWXBKSVNIZ-RWNPKEDZSA-N 388.876 4.181 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CS)[C@H]2c1ccco1 13637137 JKWCPHQNFLFRJN-FQEVSTJZSA-N 382.485 4.352 30 40 GIEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3)[nH]2)cc1 20555650 GYJCNXCVJBERLH-UHFFFAOYSA-N 399.907 4.082 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)cs1 24050708 UBWBUECKGQAHCG-UHFFFAOYSA-N 379.489 4.108 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCN2CCCC[C@H]12 36389873 LMRLEVMGMCWNEG-RBUKOAKNSA-N 377.513 4.066 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 58017667 FTVGCDUZPSCRDJ-NRFANRHFSA-N 396.918 4.065 30 40 GIEB O=C1CC(c2ccccc2)CC(=O)C1=CNc1cc(Br)ccc1O 100641758 HHPGZLNSXHCFQY-UHFFFAOYSA-N 386.245 4.166 30 40 GIEB COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1Br 108087817 CGFGQQNHCLVLQD-HGAWGFJMSA-N 395.303 4.332 30 40 GIEB Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccco2)cc1 5345312 AGZNRAJXNULASY-LJQANCHMSA-N 398.422 4.224 30 40 GIEB O=c1oc2ccccc2c(O)c1C1=N/C(=N/N=C\c2ccc(Cl)cc2)SC1 5760817 SRJBDQQFADAFDI-HPKKIPIHSA-N 397.843 4.078 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)no1 8856423 KJAGRZNELDOZMF-MRXNPFEDSA-N 384.775 4.012 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1)Nc1nonc1N2 40286819 GNEXLBWRECTLQB-AUUYWEPGSA-N 376.391 4.188 30 40 GIEB C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1OC 41076800 NDQUXYGUKGFINI-GFCCVEGCSA-N 382.485 4.350 30 40 GIEB CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccccc1 102533105 LFIKRFLDYDHRAV-WNAAXNPUSA-N 398.466 4.329 30 40 GIEB C/C(=N\NC(N)=S)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917678 AKPCCIPQFSCLFK-UWUHCDOQSA-N 389.609 4.135 30 40 GIEB O=[N+]([O-])c1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409069047 VPVIZIVYNILOKY-ZHZULCJRSA-N 382.397 4.113 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)c(C#N)cc2c1 1354637 BCWYQLGBUUSNDC-UHFFFAOYSA-N 391.452 4.048 30 40 GIEB C=CCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCC4 1806646 RBZLINLWDBOHOV-UHFFFAOYSA-N 394.525 4.170 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)COc3c(F)c(F)cc(F)c3F)c2C#N)C1 2747731 FOVOJVOAGQTLKJ-QMMMGPOBSA-N 398.381 4.318 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(N(C)C)cc1 4821522 CHJLTHKXQTVZKQ-JTHBVZDNSA-N 393.483 4.081 30 40 GIEB C=C(Br)CNC(=O)c1cc(Cl)c(OCCC)c(OCC)c1 57987039 KSQMWLDSJNITBP-UHFFFAOYSA-N 376.678 4.166 30 40 GIEB COc1ccc2c(c1)C[C@@H](C)N(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]2C 96005921 BPEGBDSBSODPTN-FABOKFROSA-N 376.456 4.145 30 40 GIEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(O)c3)N(C)C1=O)S2 100505353 XULBGXJQMOHXEJ-FRKBGCJLSA-N 399.497 4.005 30 40 GIEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccccc3Cl)o2)cc1 408773995 KVHPNQYPEULKLW-CIAFOILYSA-N 388.876 4.471 30 40 GIEB N#C[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 527827902 GSPXOEPOXJVDIU-KSZLIROESA-N 387.252 4.463 30 40 GIEB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 16311733 FOMRPGDIFWLCAL-UHFFFAOYSA-N 385.402 4.300 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1C 5532387 KAHDDSHQSMOTNB-INIZCTEOSA-N 387.892 4.205 30 40 GIEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc([N+](=O)[O-])c2)cc1 17779345 WEYZYKXQMOEAEF-XTQSDGFTSA-N 387.395 4.211 30 40 GIEB O=C1NC(=Nc2ccccc2Br)S/C1=C/c1ccccc1O 408748914 IZMOGWUUIMMCNZ-NTEUORMPSA-N 375.247 4.046 30 40 GIEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C(C)(C)C)cc3)C(=O)NC2=S)cc1 408764192 QMRVONAINIVMLA-XNQWGTPPSA-N 393.512 4.059 30 40 GIEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 17160156 RGBYLGMAIQCSJR-SXGWCWSVSA-N 379.170 4.102 30 40 GIEB Cc1cccc(NC(=S)N/N=C/c2cc(Br)ccc2O)c1C 3238299 UHZYKFSCJFHWKE-GIJQJNRQSA-N 378.295 4.092 30 40 GIEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 695426 HOLNKZAVVXWNJR-GIJQJNRQSA-N 377.680 4.349 30 40 GIEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N/N=C1\CC(=O)c2ccccc21 1415318 PHCUJYHVSCSYSA-MTCNYLKESA-N 389.480 4.303 30 40 GIEB COc1cc(/C=N/n2cnnc2S)ccc1OCc1ccc(C(C)(C)C)cc1 4136566 VQONVZFHMUSYLZ-FSJBWODESA-N 396.516 4.334 30 40 GIEB C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1 8784493 PQHMUHYRPRWJRQ-AWEZNQCLSA-N 389.484 4.221 30 40 GIEB O=[N+]([O-])c1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19682414 UWDNFNLEWLBWJO-KOEQRZSOSA-N 398.466 4.316 30 40 GIEB N#Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 24924080 FGUPZWGUNNGKSH-MRXNPFEDSA-N 383.498 4.084 30 40 GIEB COc1cc(C#N)ccc1OC(=O)[C@@H](C)Oc1ccc(C)cc1Br 40140837 MWXUSNGETXVYNW-GFCCVEGCSA-N 390.233 4.011 30 40 GIEB C=CCOc1ccc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1 54164388 UHANGNRACVOFDC-WQRHYEAKSA-N 394.452 4.340 30 40 GIEB N#Cc1c(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)sc2c1CCC2 58175521 CJKOEZLHKVTYGK-FQEVSTJZSA-N 393.537 4.488 30 40 GIEB COc1cc2c(cc1OC)-c1cc(-c3sccc3C)c(C#N)c(=N)n1CC2 101341401 DYYJNCSMMJJOSA-UHFFFAOYSA-N 377.469 4.116 30 40 GIEB O=C1C(Cc2ccccc2)=C(O)c2cccc3c(=O)n(-c4ccccc4)c(O)c1c23 101492314 LLXFBUACHFYDPI-UHFFFAOYSA-N 395.414 4.404 30 40 GIEB C=CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 224500169 OGLJLPIGTVEGTF-PGMHBOJBSA-N 388.423 4.254 30 40 GIEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1C 408560623 MAEPTEXSMLLQMR-UHFFFAOYSA-N 376.526 4.067 30 40 GIEB Cc1sc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(C#N)c1C 408628214 QXXVZUZTGCSUGO-VMPITWQZSA-N 375.906 4.416 30 40 GIEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(Br)cc1O 409102609 BJKNNODVPUZABU-CGOBSMCZSA-N 390.159 4.023 30 40 GIEB COc1cccc(/C=N\c2ccc(Br)cc2C)c1O[C@@H](C)C(=O)O 409239854 RAYRBVVMFFKJLY-XGTDKWECSA-N 392.249 4.369 30 40 GIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409298541 ZSESKRWTOVUUEY-UHFFFAOYSA-N 395.260 4.036 30 40 GIEB Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccnc2)c(C)c1 852294 SCRJCXYVJRXDPF-OAQYLSRUSA-N 399.450 4.185 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C 2733663 QQAJADBLXRANEE-UHFFFAOYSA-N 389.908 4.245 30 40 GIEB C=CCSc1nnc(NC(=O)/C=C/c2cccc(Br)c2)s1 6559943 QUMXPHHEYLPKQI-VOTSOKGWSA-N 382.308 4.231 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC(F)F 7586688 WZVPAXJHFIMASP-BJMVGYQFSA-N 377.387 4.267 30 40 GIEB CC(C)(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(C#N)c1 520262848 VKFHLZOMGGPWDG-UHFFFAOYSA-N 388.364 4.162 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)no1 1451115 XEYNJIDNOBQVAA-INIZCTEOSA-N 384.775 4.012 30 40 GIEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(Br)c3)S2)c1 5532981 MVTMDQUYMNZDMW-DHDCSXOGSA-N 389.274 4.355 30 40 GIEB COc1cccc(NC(=S)[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 8642154 NJNGZTHIUKXWTB-HNNXBMFYSA-N 393.390 4.232 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)no1 13127713 BAIVYMSJICTNMJ-GOSISDBHSA-N 396.349 4.044 30 40 GIEB CCN(CC)CCO/N=C1/C[C@H](c2ccc(OC)c(OC)c2)Oc2ccccc21 17142217 OZKALSSMVORYTB-BQMBHYSLSA-N 398.503 4.290 30 40 GIEB C#CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(Br)ccc21 100875285 SQDLBTLZHVAHMT-ZPHPHTNESA-N 377.307 4.106 30 40 GIEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cccc1OC 408528601 GQVIQMDSBCNBQS-AQTBWJFISA-N 381.453 4.497 30 40 GIEB C[C@@](C#N)(NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1 571832195 KTOSELTZMPLMBJ-FQEVSTJZSA-N 383.473 4.131 30 40 GIEB Cc1ccc(-c2oc(=O)c(C#N)c(N3CCN(Cc4ccccc4)CC3)c2C)cc1 585145669 VGVVFAWDUMJTRY-UHFFFAOYSA-N 399.494 4.118 30 40 GIEB COc1cccc([C@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)c1OC 1653754 NGNMWZBDERUOGF-MJGOQNOKSA-N 390.501 4.444 30 40 GIEB Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC(=O)N2CCOCC2)cc1 4898952 GRPDNBSICBFWCU-SOFGYWHQSA-N 385.847 4.376 30 40 GIEB COc1ccccc1NC(=O)COc1nc(CC(C)C)c2c(c1C#N)CCCC2 32095100 WCDHTYWZICGZEZ-UHFFFAOYSA-N 393.487 4.057 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102522797 CWRWZHYADFSXEG-LFVOPCPISA-N 390.464 4.073 30 40 GIEB Cc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 2662162 UTPAWHNKHSAXLE-CMDGGOBGSA-N 382.470 4.255 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 102627553 HEVTVQBOSJKRHD-NHFXJNLRSA-N 379.456 4.225 30 40 GIEB C=CCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21 7098371 JPYNTDCLTRCKIT-UHFFFAOYSA-N 390.512 4.155 30 40 GIEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224924642 YLWGUNUUEVSPFB-UHFFFAOYSA-N 397.855 4.037 30 40 GIEB COc1ccccc1NC(=O)/C(=C\n1c(=S)[nH]c2cc(C)ccc21)C(C)=O 5504088 ZNLHOLFJUABDLR-KAMYIIQDSA-N 381.457 4.085 30 40 GIEB C#CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1 226326413 ITBNBSIDWXZBFC-UHFFFAOYSA-N 389.245 4.217 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 36389872 LMRLEVMGMCWNEG-RTBURBONSA-N 377.513 4.066 30 40 GIEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100250315 HBRBBCPACXHGRX-NVMNQCDNSA-N 395.209 4.143 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2Cl)n1 8558935 SLVIDVJJQWMJBG-LJQANCHMSA-N 382.895 4.456 30 40 GIEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc(OC)c1OC 20267423 MUMPCNGVUAKPOL-UHFFFAOYSA-N 375.428 4.204 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1C 2219286 YGMUFQFRZCZVCX-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB CCOC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3cccc(Cl)c3)SC2)c1C 5864332 RNMBUROXTFEIFD-UHFFFAOYSA-N 390.896 4.190 30 40 GIEB CCCc1ccc(S(=O)(=O)/N=C(\O)CCOc2ccc(OCC)cc2)cc1 78564621 JUQPECWQXWGCML-UHFFFAOYSA-N 391.489 4.152 30 40 GIEB COc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1OC 408762623 KOCZTLSVMSPJKE-GUXCAODWSA-N 377.400 4.310 30 40 GIEB CNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 40139555 HQUNVSZIPOLMDF-XVNBXDOJSA-N 394.254 4.023 30 40 GIEB O=C1/C(=N\Nc2cc(Cl)cc(Cl)c2)c2cc(F)ccc2N1C1CSC1 223753117 WLDNVCVTKWSHRS-JWGURIENSA-N 396.274 4.411 30 40 GIEB Brc1cccc(/C=N/n2nnnc2Nc2cccc3ccccc23)c1 1085414 SWLIQPPQJQKSOE-UDWIEESQSA-N 393.248 4.215 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1nc(-c3ccc(O)cc3)nc1N2 4279852 YUVGAGBCVHWDID-IBGZPJMESA-N 392.846 4.326 30 40 GIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1085837 OVXZFXOPYORVNX-GOSISDBHSA-N 394.427 4.418 30 40 GIEB O=C(C[C@H]1S/C(=N\N=C\C=C\c2ccccc2)NC1=O)c1ccc(Cl)cc1 2589873 OTXXXOCLUVZRFE-DFMHBSKISA-N 397.887 4.200 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F 4904631 VWBAYPZVCVNMJW-YTFSRNRJSA-N 381.447 4.224 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1cccc(F)c1 4919797 HTODJKLWUQUWLA-XMSQKQJNSA-N 398.430 4.162 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 6482584 ATLJNLYIJOCWJE-BTZIUSOPSA-N 384.516 4.258 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(Br)s1 12348085 MVPKHLRITSCELW-GFCCVEGCSA-N 394.294 4.140 30 40 GIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1F 15910271 LLLYLVCDPURQLG-ALSYLCBWSA-N 377.391 4.370 30 40 GIEB Cc1c(/C=N/c2cccc(/C=C/C(=O)O)c2)c(O)n2c(nc3ccccc32)c1C#N 17970258 LPTYUCOPJWYEMG-BJRNYMFBSA-N 396.406 4.222 30 40 GIEB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 32900385 UXDZLUKKCSASPD-UHFFFAOYSA-N 397.828 4.301 30 40 GIEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 59417078 UKWLVITWKHGCQQ-OEAKJJBVSA-N 386.411 4.237 30 40 GIEB CC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 65567412 SBZYVNCPSAMUQW-HSZRJFAPSA-N 399.450 4.219 30 40 GIEB Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)c1 101650949 LQHFURDYYZKMEF-KHOFPDMRSA-N 381.501 4.202 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 102928675 RJHFTKYSFIARLX-YDJIHCHBSA-N 391.398 4.349 30 40 GIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 223952150 DSCIYQDXBAGIIY-GFCCVEGCSA-N 375.519 4.101 30 40 GIEB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2 225682109 KNDFHPUGUCTKRH-SFHVURJKSA-N 381.501 4.350 30 40 GIEB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2C#N)cc1 1404360 GIAPBUMFHVPQMG-UHFFFAOYSA-N 390.464 4.260 30 40 GIEB CCOc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1 2246852 BVJDPRDDUBDGGN-KAMJJXHCSA-N 377.488 4.242 30 40 GIEB N/C(=N\OC(=O)c1cc(Cl)nc(Cl)c1)c1c(Cl)cccc1Cl 4280842 GGIHANZFULJJGQ-UHFFFAOYSA-N 379.030 4.173 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1cccc(C(=O)O)c1 4509011 JZJJQTARSCYCGP-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)SC1=S 4575511 FOCOGUXQDJMJFG-YBEGLDIGSA-N 385.466 4.340 30 40 GIEB C/C(=N\c1cccc2ccc(S(=O)(=O)O)cc12)c1cc2ccccc2oc1=O 4701601 YMGPJAOQWFTPDX-LPYMAVHISA-N 393.420 4.334 30 40 GIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4814157 AEEFYCQCQQMPBH-YWZLYKJASA-N 376.847 4.347 30 40 GIEB CCCCCCCCCCCCCCC[C@H](O)[C@H](N)COP(=O)(O)O 8216762 YHEDRJPUIRMZMP-MSOLQXFVSA-N 381.494 4.265 30 40 GIEB biogenic,in-vitro Cc1cc(C(F)(F)F)nc(SCCCn2c(=O)[nH]c3ccccc32)c1C#N 8783264 JNKNPBRQLWBFMZ-UHFFFAOYSA-N 392.406 4.106 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc(Br)c1 12391664 QWSRDTAZIOUMCU-AWEZNQCLSA-N 389.253 4.054 30 40 GIEB C=CCn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc21 12628647 IALWDYKMGOIMQS-UHFFFAOYSA-N 394.475 4.400 30 40 GIEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)ccc1O 18197501 JUXNIMCVZILITM-OAQYLSRUSA-N 393.439 4.330 30 40 GIEB COc1cc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)ccc1O 19095744 OHKXNQTXFKBGNE-UHFFFAOYSA-N 396.244 4.346 30 40 GIEB C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cnn(-c2ccccc2)n1 31701212 UHLUKVWRDWSDHD-DHZHZOJOSA-N 384.892 4.210 30 40 GIEB N#Cc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 42022485 NZFFNAHSEMTYLP-RMKNXTFCSA-N 379.891 4.006 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 820507 HOAJJBKVSZFKHB-IBGZPJMESA-N 398.459 4.150 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(OC)cc4)[C@H]3C[C@@H]12 4043834 FJUTWCVPMLKPLN-WKKMNAASSA-N 383.532 4.142 30 40 GIEB biogenic CCC(=O)/C=C(O)/C(=C/C(=O)CC)NN=C(c1ccccc1)c1ccccc1 5285271 FUUHSYRFFONCBE-BMJUYKDLSA-N 376.456 4.313 30 40 GIEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 5389527 YQXCQOOCMWBICS-GIVPXCGWSA-N 376.610 4.338 30 40 GIEB COc1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1OC 5523555 XDUBGDWUNLEEGF-FSJBWODESA-N 377.366 4.365 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc(Oc2ccccc2)c1 7734864 XKCBSXVPGVVHOH-MDRMPYQZSA-N 392.455 4.090 30 40 GIEB Cc1ccc2c(c1)/C(=N/Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)C(O)=N2 7985071 STWNZQYRLDSUOX-UHFFFAOYSA-N 399.621 4.466 30 40 GIEB COC(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)c2cccs2)cc1 11667655 DFJGYSAEAGSBCZ-QOCHGBHMSA-N 376.437 4.142 30 40 GIEB COc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 19799169 PPMCBUNJHACFOX-UHFFFAOYSA-N 378.482 4.437 30 40 GIEB O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1cccs1)c1sc(=O)[nH]c1S2 32597805 LJRFVQFINVMGEF-LLVKDONJSA-N 383.475 4.069 30 40 GIEB N#CCCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 36832648 CSSILDQBKKMNJT-UHFFFAOYSA-N 395.454 4.278 30 40 GIEB CC(C)N(Cc1ccccn1)C(=O)c1ccc(COc2ccccc2C#N)o1 55739730 AQWLSDUJPVPDMP-UHFFFAOYSA-N 375.428 4.176 30 40 GIEB Cn1c(=O)n(C)c2cc(/C=C3/SC(O)=N/C3=N\c3ccc(Cl)cc3)ccc21 95474571 PTIFNMMIUCEMGY-MHWRWJLKSA-N 398.875 4.262 30 40 GIEB Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)cc3C)C(=O)N2C)c1 101650939 IJEKHIJYAMSLRV-KHOFPDMRSA-N 381.501 4.202 30 40 GIEB N#Cc1ccc(N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cn1 1889051532 PPNTZTCEWBQSIK-UHFFFAOYSA-N 392.466 4.342 30 40 GIEB N#Cc1cc2ccccc2nc1N1CCC(COc2ccncc2Cl)CC1 1889201598 ZIHRIVRPPBBHNK-UHFFFAOYSA-N 378.863 4.450 30 40 GIEB O=C1C=C(OC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)CCC1 1388188 IYHUJFJKVXVZKK-UHFFFAOYSA-N 384.741 4.338 30 40 GIEB N#CC1(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 4958786 RESKGXWSUAOTJP-UHFFFAOYSA-N 380.288 4.056 30 40 GIEB COc1cc(OC)c(/C=N/Nc2cc(C)c3ccc(OC)cc3n2)c(OC)c1 5552756 HIELKZNVQQYNOC-WSDLNYQXSA-N 381.432 4.024 30 40 GIEB C=CCNCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 6047831 ZREDZKWQKIVMMP-XMMPIXPASA-N 399.494 4.302 30 40 GIEB COc1ccc(-n2c(C)cc(/C=N/n3c(C)nc4ccccc4c3=O)c2C)cc1 6961817 IPEYPTMJNQYWAB-ZVHZXABRSA-N 386.455 4.003 30 40 GIEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 8326851 PFVVUJLWJRPDCQ-MEDUHNTESA-N 385.489 4.126 30 40 GIEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OC)c(C)c3)C(=O)N2C)cc1 15010298 CUEIJLJOKHQWEI-NOQVSKCTSA-N 396.468 4.024 30 40 GIEB C[C@H](/N=C(/S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1 25326843 QSKSMRTWUDKMPO-KXBFYZLASA-N 389.952 4.500 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 31166353 OLDFOHABNQZMKB-ZMMCYVGWSA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2ncc(C#N)c2N1 101475056 YREDYJZCNUOTDU-GOSISDBHSA-N 375.457 4.052 30 40 GIEB COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1cccc(C(=O)O)c1 408847477 NDDUPKLAFSRKCY-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB C#CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1Br 409118223 NMVWFTZSMYRURL-VBKFSLOCSA-N 382.257 4.368 30 40 GIEB O=C(/N=C1\S/C(=C/c2cccnc2)C(=O)N1c1ccccc1)c1ccccc1 4514262 SGXWELGGQQEDDL-GDBHHJMHSA-N 385.448 4.399 30 40 GIEB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C#N)c2=O)c1 5270027 IGDYIOUTIFKTKP-UHFFFAOYSA-N 391.858 4.291 30 40 GIEB C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O 5747260 CMRHQQMOQFXVLT-YVLHZVERSA-N 378.384 4.203 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 5791206 ZSQAYGRPPVGMCI-RCRZSSQQSA-N 385.464 4.078 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 5878293 PFANIINQHQIIBK-STQMWFEESA-N 376.547 4.040 30 40 GIEB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(C#N)c2)c(OC)c1 10950765 QJACNCAOPVWGGU-QFIPXVFZSA-N 385.423 4.347 30 40 GIEB Oc1ccc2ccccc2c1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 16922644 VQSMXXOIRBRSML-QRVIBDJDSA-N 379.529 4.312 30 40 GIEB Cc1ccc([C@H](CNc2oc(-c3cccs3)nc2C#N)N2CCOCC2)cc1 27750031 OEPLMPHQZDVBSL-SFHVURJKSA-N 394.500 4.069 30 40 GIEB CN(C)c1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1 27991018 VTCLHDJSHKSUDI-QGZVFWFLSA-N 381.505 4.056 30 40 GIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(F)(F)F)C1 84001867 CFMKXUUFCOZBSA-OLZOCXBDSA-N 399.482 4.490 30 40 GIEB CCCCCCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O 100923951 OTIFGSFSICEWGK-UHFFFAOYSA-N 388.574 4.033 30 40 GIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 102983913 APUBYPWWKNETJK-XEMWLZHMSA-N 387.545 4.270 30 40 GIEB CCOC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218456154 HWJWRIGEYHTQTL-AABGKKOBSA-N 389.904 4.135 30 40 GIEB C=CCc1cc(C(=O)NCc2cccc(CN3CCCCC3)c2)ccc1OC 224670234 YPWXNDKZTHZMME-UHFFFAOYSA-N 378.516 4.340 30 40 GIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3)o1)[C@H]1C=C[C@H]2C12CC2 408728488 NHXLWODGGKBSKX-GVRWEOJBSA-N 392.842 4.131 30 40 GIEB COc1cc(N(C)C)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409402322 DVCIHPDWMFOWJZ-UHFFFAOYSA-N 398.466 4.020 30 40 GIEB C=CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 4944155 WPUDWACEBJEBQX-MRXNPFEDSA-N 375.428 4.124 30 40 GIEB Cc1cc(=O)oc2cc(OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)ccc12 7736724 RCFIRYMBRPMDRJ-UUYOSTAYSA-N 389.451 4.361 30 40 GIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 5868837 QCRZGZYXTRIVOK-INIZCTEOSA-N 399.491 4.366 30 40 GIEB O=C(COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 408910463 KKPPLVWWCXILSO-HMAPJEAMSA-N 390.399 4.058 30 40 GIEB COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccccc2)NC1=O 38204982 DGAVRDSZCQPSHP-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB C=CCc1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)ccc1O 38162072 PFXPMZMUTXWDDU-AQTBWJFISA-N 376.412 4.190 30 40 GIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 225602693 PDMFNGYKINRHEF-GFCCVEGCSA-N 375.519 4.101 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)[C@H]1c1cccc(F)c1 1076131 FCOUKASFGHPMJS-NRFANRHFSA-N 392.430 4.143 30 40 GIEB CCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc2c1 1354811 JCUHEBBWPHLWHK-UHFFFAOYSA-N 389.480 4.187 30 40 GIEB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060403 QJJBOHPGHFXDPI-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1OC 5518120 DLOZGLGUEIUCES-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CCn3c(=O)sc4ccccc43)c2C#N)C1 6661741 MDIKJBZPMMKVLN-GFCCVEGCSA-N 397.525 4.150 30 40 GIEB Cc1ccc(C)c(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c1 35288673 ZVWGRUCKPBCBJY-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB O=C(NCC#Cc1ccccc1)N1CCC[C@@H]1c1cccc(Br)c1 89821646 QYKKTQZMSQFKPT-LJQANCHMSA-N 383.289 4.347 30 40 GIEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408862067 HZKRUARZGLIQLP-LPYMAVHISA-N 375.501 4.323 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N/C1CCCCCC1 103459127 SWKCBMPQBRLMNF-MLSMKVKPSA-N 387.549 4.366 30 40 GIEB N#CCCn1cc(C2=NN/C(=N\c3ccccc3F)SC2)c2ccccc21 24988254 ZBRNUGHCUUHCRZ-UHFFFAOYSA-N 377.448 4.422 30 40 GIEB Cc1ccc(-c2noc(CCCSc3nnc(C)c(C)c3C#N)n2)cc1F 12762710 VFMWNKDIQZPHAW-UHFFFAOYSA-N 383.452 4.188 30 40 GIEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(COCC(F)(F)F)cc1 89761586 XPTTTZZYMZUKIK-UHFFFAOYSA-N 379.382 4.446 30 40 GIEB N#C[C@@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 4325683 VKHLNGZODADABB-QGZVFWFLSA-N 378.476 4.103 30 40 GIEB aggregator COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 4695388 UMFOGANSYUVOOI-XDOVGWRTSA-N 394.496 4.478 30 40 GIEB Cc1[nH]c(=N)c(C#N)c(-c2ccc(O)c(Br)c2)c1-c1ccccc1 408977413 DFTDXCBJNVPMGD-UHFFFAOYSA-N 380.245 4.476 30 40 GIEB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(CC#N)cc3)cc2)C1 225690443 ZQVAOYJIEPTJPG-KRWDZBQOSA-N 378.545 4.476 30 40 GIEB N#Cc1cccc(-c2nnc(N3CCC4(CCCCC4)CC3)n2[C@@H]2CCOC2)c1 1548452887 WJRFRPUSCBGBRB-HXUWFJFHSA-N 391.519 4.329 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1cccs1 85409743 IZGNXQXIZQCTNO-AWEZNQCLSA-N 386.429 4.127 30 40 GIEB N#Cc1c(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c1CCCC2 2798337 PZAFWIZMPOUBNK-UHFFFAOYSA-N 396.447 4.123 30 40 GIEB CCCCC[C@H](CC)N(CNC(=O)CC)c1nc2ccccc2nc1CC#N 3197459 VDIMCKVRZIIMGE-KRWDZBQOSA-N 381.524 4.345 30 40 GIEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 5518415 YFJAOVWLJKZVFM-AUEPDCJTSA-N 398.488 4.042 30 40 GIEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1Cc1ccco1 6200455 TUHCPNCHLQVCSA-HXUWFJFHSA-N 389.407 4.067 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cn1 6525867 BDYWLFLGYFNMAY-ZOYKCYOISA-N 376.504 4.457 30 40 GIEB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)N(C)C1(C#N)CCCCC1 9157752 CPDMVSBNMTUPLR-CYBMUJFWSA-N 399.545 4.109 30 40 GIEB COc1ccc(-c2cc(NC(=O)COc3ccccc3C#N)ccc2OC)cc1 12035103 KDCHTFZHZMNKFY-UHFFFAOYSA-N 388.423 4.260 30 40 GIEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc(OC)c1OC 13721195 SLOHRBHYOMKKSM-SFHVURJKSA-N 398.459 4.209 30 40 GIEB CN1CCc2nc(SCc3cccnc3)c(C#N)c(-c3ccsc3)c2C1 19597317 XEDYHJIEOGJADV-UHFFFAOYSA-N 378.526 4.357 30 40 GIEB CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(C#N)cc2c1 20150295 DZAOCAVTPRLLJV-UHFFFAOYSA-N 389.459 4.047 30 40 GIEB COc1ccc(Cc2n[nH]c(/N=C(\O)CCn3ccc4ccccc43)n2)cc1 95480212 BCTRAFILSZJGEW-UHFFFAOYSA-N 375.432 4.037 30 40 GIEB O=[N+]([O-])c1ccc([C@H]2C3=C(CCC/C3=N\Nc3ccccc3)O[C@@H]2[N+](=O)[O-])cc1 100482565 PCCWWUSSXJZSRG-ZTCULGEBSA-N 394.387 4.218 30 40 GIEB O=[N+]([O-])c1ccc([C@@H]2C3=C(CCC/C3=N\Nc3ccccc3)O[C@H]2[N+](=O)[O-])cc1 100929261 PCCWWUSSXJZSRG-ASKSKZAFSA-N 394.387 4.218 30 40 GIEB C=CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OCC)c1 226321492 IPLXKVAJPWQRBJ-UHFFFAOYSA-N 392.249 4.165 30 40 GIEB CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC 408989418 KRPIAGIKMWOEFF-HXUWFJFHSA-N 387.524 4.302 30 40 GIEB CCOc1cc2c(cc1/C=N/c1ccccc1I)OCO2 409103403 YGKASPJWYQEAKM-GIJQJNRQSA-N 395.196 4.169 30 40 GIEB Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1C 662251 JEPRITQLTIPOTQ-SLNYWTKHSA-N 385.464 4.033 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 917544 NUYZVPKYMTZRRB-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB Oc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1O 1637951 LEEGNGSQQIHNKM-ZEELXFFVSA-N 398.054 4.076 30 40 GIEB C=CCN(CC=C)C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 2136587 VVBCFUWHMRLXQV-UHFFFAOYSA-N 387.332 4.228 30 40 GIEB Clc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 4119098 NGCRLXRXCBXLJY-HYARGMPZSA-N 393.882 4.315 30 40 GIEB COc1cc2c(cc1OC)/C(=C/C(=O)Cc1c(Cl)cccc1Cl)NCC2 5246579 WJWOWZXTIRBDEO-ZDLGFXPLSA-N 392.282 4.309 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1ccc(C)cc1 8362946 FQZUXKYFTLYSMU-WBCKRXDOSA-N 396.468 4.082 30 40 GIEB N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1 13087034 SOLQZDHSHUHUKY-NTEUORMPSA-N 393.402 4.126 30 40 GIEB Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)OCCO4)n2)cc1 32682254 NCOCTHQHYLNASX-INIZCTEOSA-N 376.437 4.380 30 40 GIEB CC(=O)[C@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366108 LKNUEHIZNUCUFJ-JBACZVJFSA-N 375.378 4.081 30 40 GIEB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C#N 36391826 NSTQSQCBZNTYLE-RBUKOAKNSA-N 391.515 4.016 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cccc1OC 100765958 IJQBDBKPVKTGSK-SFTDATJTSA-N 397.490 4.414 30 40 GIEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(CN5CCOCC5)c4)OCC[C@@]3(C2)[C@@H]1C 257307457 SYSFMHRSSNANJT-ODBMFVKLSA-N 383.532 4.207 30 40 GIEB CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408591746 KFYPQUSKNUJMTB-VCHYOVAHSA-N 379.210 4.307 30 40 GIEB COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409046550 KNMJUWHZEDAUPB-SDPNRITHSA-N 397.088 4.172 30 40 GIEB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)C(=O)C2=O 2172653 LYYBYAIJZIINMI-BJKOFHAPSA-N 387.435 4.095 30 40 GIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2307003 KEGSIMZKWZMLGT-UHFFFAOYSA-N 387.830 4.123 30 40 GIEB Cc1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cccc1[N+](=O)[O-] 3148209 ARXVCIGREMPHHF-FRKPEAEDSA-N 380.154 4.030 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 3641104 ZOEWKPRTNKQIKP-SFHVURJKSA-N 379.843 4.472 30 40 GIEB Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 5587468 BWVJZXQLIUQZDN-SRZZPIQSSA-N 379.372 4.157 30 40 GIEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc3c(c2)OCO3)ccc1O 5634298 NKIQTPIXCROGPK-FSJBWODESA-N 387.395 4.195 30 40 GIEB CCc1ccc([C@@H](NC(=O)COc2ccccc2C#N)c2cccs2)cc1 8062290 UOUSYFDSQOOKKY-JOCHJYFZSA-N 376.481 4.467 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1csc(-c2ccccc2)n1 10893942 DFSZKAOTBPQLKN-UHFFFAOYSA-N 388.452 4.304 30 40 GIEB COc1cccc(C2(C#N)CC[N+](C)(CC(=O)c3ccc(Cl)cc3)CC2)c1 12371969 XUJMRMMDUQDBCK-UHFFFAOYSA-N 383.899 4.233 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)CSc3ccccc3)s2)cc1 12766369 FUBJEQHQTIRFGY-UHFFFAOYSA-N 398.538 4.433 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C(=O)O)c2)C1=O 13881645 ZNFZGPFQONNYSM-LDADJPATSA-N 395.436 4.186 30 40 GIEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1 14112492 NLCKQPJTFBFMNK-CMDGGOBGSA-N 379.279 4.175 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1 17731709 UEQKOLCVHNJBEI-UHFFFAOYSA-N 379.416 4.187 30 40 GIEB biogenic C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22457096 WLDZQMGFZFFYMS-BAGYTPMASA-N 390.637 4.334 30 40 GIEB FC(F)(F)c1ccc(N/N=C\c2cc3c(cc2Br)OCO3)nc1 34878071 XSAZHRYLLPZXMD-SDPNRITHSA-N 388.143 4.038 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 39750381 YVLMKGXMTKNRQQ-UHFFFAOYSA-N 391.456 4.003 30 40 GIEB C=CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 226257065 LFPYYRHWDKKOCJ-VMPITWQZSA-N 378.178 4.360 30 40 GIEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c1 409098232 OUQNACZRHOSXLC-DJKKODMXSA-N 387.739 4.257 30 40 GIEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)cc1 409193537 FZWHSWGLZVFBSF-JYRVWZFOSA-N 399.450 4.405 30 40 GIEB CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(C)cc2)cc1 631827 KOKOKOMXVHSNCQ-XSFVSMFZSA-N 377.440 4.271 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 1457731 KANGWGLRBXICEZ-NRFANRHFSA-N 396.506 4.442 30 40 GIEB COc1ccc(C)cc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4849029 WMILRYGANYDCFH-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c1C 4984934 OOHMLPZLWBOANA-UHFFFAOYSA-N 380.517 4.214 30 40 GIEB COc1ccc(/C=C/C(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1 5678006 VPLVTFKNMDCSIJ-SDNWHVSQSA-N 384.439 4.313 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)n1c(nc3ccccc31)N2 7495985 IVDGEWPNUOIPNN-RCDICMHDSA-N 382.423 4.440 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(F)c1 8881930 HVRBSPHXQAAIIG-UHFFFAOYSA-N 378.432 4.117 30 40 GIEB Cc1oc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c(C#N)c1C 12766599 ICSSPTHQFLUARY-UHFFFAOYSA-N 376.460 4.068 30 40 GIEB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C#N)nccn3n2)cc1 17051661 WUIDNWLJJOURBR-UHFFFAOYSA-N 399.479 4.307 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1nnn(-c2ccccc2)c1C 58381325 INHQZUDJHFWUJL-CCEZHUSRSA-N 383.455 4.274 30 40 GIEB COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCO4)n2)cc1 66544315 PQDHUIXTLGLPEX-QGZVFWFLSA-N 376.437 4.244 30 40 GIEB O=[N+]([O-])c1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1[N+](=O)[O-] 100052798 QKHJFYNPGVPCLF-BGSCIDCASA-N 380.404 4.352 30 40 GIEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COC1=C[C@@H]2OC(=O)CC=C2C=C1 253477366 FKBRWBRHJLISDV-KKRIOZGLSA-N 384.516 4.468 30 40 GIEB CC[C@@H](C)Oc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409206 UKTIQBRUOPVVDZ-XZKAFTKBSA-N 388.467 4.158 30 40 GIEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3ccncc3)cs2)c1 585294921 LPTSKIQEHKMTGN-GOSISDBHSA-N 376.489 4.276 30 40 GIEB Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)c1C 1087734 XPDOKXYNZXNPFK-OAHLLOKOSA-N 393.512 4.107 30 40 GIEB COc1ccc(NC=C2C(=O)CC(c3cccc(Cl)c3)CC2=O)cc1OC 3637907 LIIOSJBFPBWTRL-UHFFFAOYSA-N 385.847 4.369 30 40 GIEB Cc1ccc(N2C(=O)CS/C2=N\C(=O)c2ccc(Br)cc2)cc1 4832306 INMPWYSCPZJUTM-ZPHPHTNESA-N 389.274 4.034 30 40 GIEB N#Cc1c(SCc2ccc(Br)cc2)sc2c(O)cc(=O)[nH]c12 4945407 VWFNDNVLBFTLHV-UHFFFAOYSA-N 393.287 4.222 30 40 GIEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 5860926 ZOCMQGWSCJSENO-INIZCTEOSA-N 395.528 4.471 30 40 GIEB N#Cc1c(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn2ccccc12 12267736 PAJZWJBPMFEWHZ-UHFFFAOYSA-N 387.351 4.336 30 40 GIEB C#CCOc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)cc1OC 13569002 JJSCHTAFQOOMAY-UHFFFAOYSA-N 390.458 4.444 30 40 GIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 15013718 XNJADVUJNIJGCG-QGOAFFKASA-N 389.436 4.067 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1F 33664310 YGEAOCUWVUKGLE-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#Cc1c(COC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cn2ccccc12 71837485 JHQWXSJLUKXPHO-UHFFFAOYSA-N 376.803 4.211 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)[C@@](C#N)(CC=C)[C@@H]1c1ccccc1Cl 100969382 SNVDSJZFACZEPJ-YLJYHZDGSA-N 386.904 4.443 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CC 408771750 CJBRIIPXSRMJFY-CMLHKUKGSA-N 398.444 4.094 30 40 GIEB COC(=O)c1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408851255 APXUHKSPJSOMAN-ODLFYWEKSA-N 377.238 4.180 30 40 GIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 5408127 JLSBZQASOQFPNG-GOSISDBHSA-N 385.847 4.280 30 40 GIEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(OC)c2OC(F)F)c1C 8321417 WVKJUSDRDHGYQU-MDZDMXLPSA-N 393.386 4.314 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nc2sccc2c1=O 32946290 RHKXZXLYOYYECL-SNVBAGLBSA-N 392.452 4.286 30 40 GIEB C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1C1CC1 48355337 ATYCGRHLTFUEST-UHFFFAOYSA-N 395.507 4.447 30 40 GIEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(Cl)c1 408764437 IQEFSOZIZJCBCO-FSJBWODESA-N 377.831 4.378 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C 408996785 DZLLBDANTPZFDI-HKWRFOASSA-N 389.451 4.124 30 40 GIEB CN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)SC1=S 409127595 OFVKNFFTIWVVOA-GRSHGNNSSA-N 389.505 4.392 30 40 GIEB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409157417 JELMSDAHUXORKJ-JXXFODFXSA-N 377.400 4.332 30 40 GIEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccncc1 409295742 OZWZXWFBFXPHMP-UHFFFAOYSA-N 394.356 4.360 30 40 GIEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1307304 KBPHAQYXXZVXNG-UHFFFAOYSA-N 396.366 4.173 30 40 GIEB N#CCSc1ccccc1NC(=O)COc1ccccc1Br 5037992 SBLNQWYSDACUNS-UHFFFAOYSA-N 377.263 4.082 30 40 GIEB C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1 8784494 PQHMUHYRPRWJRQ-CQSZACIVSA-N 389.484 4.221 30 40 GIEB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9049157 ZVSVQEIQZZEAIE-QVKFZJNVSA-N 388.423 4.352 30 40 GIEB CCOc1ccc(/N=C2\NC(=O)[C@H](CC(=O)c3ccc(Cl)cc3)S2)cc1 16754309 VAGWXKGRYKCILR-KRWDZBQOSA-N 388.876 4.231 30 40 GIEB C[C@@H]1CCCN(Cc2ccc(CNC(=O)CCc3ccc(C#N)cc3)cc2)C1 32930094 DQENCBRUXLGERV-LJQANCHMSA-N 375.516 4.039 30 40 GIEB Cc1c(/C(CSCc2cccc(C(F)(F)F)c2)=N\O)sc2ncnn12 100926864 ISYOXTQRQHVWBH-MTJSOVHGSA-N 386.424 4.230 30 40 GIEB Cc1ccc(/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1Cl 408857645 PBRJBWVQUMAZJL-CFRMEGHHSA-N 395.890 4.213 30 40 GIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 408913529 VJOMGTRGXHXEDV-ZDLGFXPLSA-N 394.225 4.211 30 40 GIEB COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1[N+](=O)[O-] 409050872 BSKMHRNCJKYCND-PGMHBOJBSA-N 396.424 4.469 30 40 GIEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl 2267068 AHHIRNSMRRXJDE-OAHLLOKOSA-N 396.270 4.094 30 40 GIEB O=C1COc2ccc(C(=O)/C=C/c3cccc(OCc4ccccc4)c3)cc2N1 5335782 SFKXSJOMNPCWFP-PKNBQFBNSA-N 385.419 4.493 30 40 GIEB CCc1ccc(/C=N/c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 6359122 DTUCSJRUQARUPZ-KGENOOAVSA-N 376.909 4.438 30 40 GIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NC[C@@H](C)NC(=O)[C@@]13CC[C@@H](C1)C(C)(C)C3=C)C2 6468849 CROQMTIRWFBSQR-ZQYGFBHCSA-N 398.591 4.372 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 8739856 SUFSUHRHXOWQEO-KRWDZBQOSA-N 380.425 4.136 30 40 GIEB N#Cc1ccsc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 12746090 QGXFRUKUUQMDIC-UHFFFAOYSA-N 395.444 4.320 30 40 GIEB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc(C#N)c1 16086190 IGSFHLHSKSEHJP-UHFFFAOYSA-N 398.509 4.019 30 40 GIEB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC#N 16694355 ZDABNHOKCHXWOK-BOPFTXTBSA-N 381.819 4.057 30 40 GIEB O=C(/C(=N/Nc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 17191661 ZXASDXFLOBWRET-ZBJSNUHESA-N 390.355 4.202 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)c1c(O)n[nH]c1N2 18200813 BJIUIXCCFFKENF-MEDUHNTESA-N 381.819 4.320 30 40 GIEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(OC)cc2OC)=NC1=O 35644789 HJRSSCXBZZTLQI-XDHOZWIPSA-N 396.468 4.351 30 40 GIEB CC1(C)Cc2c(C#N)c(OCc3ccc(F)cc3)nc(N3CCCC3)c2CO1 71283008 OIUYRTKONXUFSE-UHFFFAOYSA-N 381.451 4.123 30 40 GIEB C/N=C1/S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1C 101645548 GDPBFCNCOOJXKE-XTJABLFPSA-N 379.460 4.361 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)c1c([nH]n(-c3ccccc3)c1=O)N2 102045884 MDQMQPMNMZTKHN-GOSISDBHSA-N 391.858 4.384 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 408742193 NSRBCMFSIHKMGM-LPYMAVHISA-N 392.415 4.235 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 409075881 YWEKARJIBKMUTJ-RVDMUPIBSA-N 389.274 4.462 30 40 GIEB Cc1cc(C)cc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 2234886 HLWFTVBYQLNUGN-LJQANCHMSA-N 399.498 4.483 30 40 GIEB O=C(/C=C/N1CCCN(Cc2ccc(Cl)cc2Cl)CC1)C(F)(F)F 2570229 SFQZDDIGGMFERI-QPJJXVBHSA-N 381.225 4.146 30 40 GIEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1C1CCCCC1 3485566 CVAHCCPTTLRNKX-UHFFFAOYSA-N 388.512 4.059 30 40 GIEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)c1 4712083 KIZZFQSXCFUKOP-AWQFTUOYSA-N 386.751 4.047 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1cccc(F)c1 4919801 HTODJKLWUQUWLA-GCJKJVERSA-N 398.430 4.162 30 40 GIEB Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)c1 5347121 RSHYBHAETQTHME-IBGZPJMESA-N 398.422 4.224 30 40 GIEB C[C@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1 5780296 XLGYRJVRKBWJCV-HNNXBMFYSA-N 390.464 4.374 30 40 GIEB CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 8450004 SKYTZCGIAIQNAT-GQSCTRQFSA-N 383.488 4.488 30 40 GIEB CCOc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@@H]2c2ccc(C)cc2)cc1 12390969 OQSLCVUILMAUEW-UBLKFNIESA-N 376.456 4.256 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 13127806 MUTNBANEJCEGOY-GOSISDBHSA-N 395.436 4.128 30 40 GIEB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 19535738 LZPFGFSGHZBJCD-FQEVSTJZSA-N 383.488 4.251 30 40 GIEB C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 57363111 IYCCDZZPIKAZME-JOCHJYFZSA-N 391.471 4.360 30 40 GIEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 57600743 BTIQAQKFOTYDAV-JRGCBEDISA-N 394.600 4.478 30 40 GIEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(F)(F)F)cc32)c1 223744098 LURTXQRTDOVCJJ-ULJHMMPZSA-N 391.418 4.292 30 40 GIEB Cc1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 100822966 PTTPDVGSVDDBOJ-UHFFFAOYSA-N 380.407 4.100 30 40 GIEB CCSc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccn1 53051817 UROLJDIARRHAAL-UHFFFAOYSA-N 381.379 4.259 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12938646 RYECYLFLIUTCKA-VBKZILBWSA-N 380.444 4.432 30 40 GIEB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 6559771 BWOGPFVVDUHXKU-LBPRGKRZSA-N 381.486 4.273 30 40 GIEB N#Cc1c(NC(=O)c2ccc(OCC(F)(F)F)nc2)sc2c1CCCCC2 84425469 RZCGQKLQCLXPQN-UHFFFAOYSA-N 395.406 4.477 30 40 GIEB COc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1Br 13343681 RIPSUAIFQXWAII-QGMBQPNBSA-N 383.629 4.255 30 40 GIEB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC#N 15008439 IJWOCQQXFCLBFD-LDADJPATSA-N 396.493 4.312 30 40 GIEB CC(C)(C)[C@H]1CCc2nc(SCC(N)=O)c(C#N)c(-c3cccs3)c2C1 6305146 JGKGKHMKAMPMKD-LBPRGKRZSA-N 385.558 4.410 30 40 GIEB COc1ccc(CCNc2ncc3c(c2C#N)Nc2ccccc2C3)cc1OC 20392901 YJMPJSBLGXCVHA-UHFFFAOYSA-N 386.455 4.273 30 40 GIEB COC(=O)C(C(=O)CSc1ccc(F)c(Cl)c1)=C1Nc2ccccc2N1 22848070 JDPMVDOCZHMGGL-UHFFFAOYSA-N 392.839 4.063 30 40 GIEB CCSc1nnc(/N=C(\O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)s1 7782483 NZHJBYUTGQWVJX-UHFFFAOYSA-N 389.506 4.038 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccccc2)c(C)c1 16741367 BBTLIAHZBOGMFG-NRFANRHFSA-N 389.451 4.324 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccs1 5408228 FSUTWRVEACIHOV-GOSISDBHSA-N 391.496 4.428 30 40 GIEB COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(Br)c1O 96988697 RIQSMTSMXAAJBX-WDZFZDKYSA-N 393.208 4.351 30 40 GIEB COc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccccc34)SC2=S)cc1 77024426 HIQMJDIXAQPFCI-VCHYOVAHSA-N 394.477 4.308 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1cccc(C(=O)O)c1 35669350 VCBPEIXRLGPTIO-OUYOUGTCSA-N 382.441 4.017 30 40 GIEB CC(=O)Oc1ccc(/N=C2/NC(=O)S/C2=C\c2ccccc2OC(C)=O)cc1 32594633 ZCNLOLRIPNGLPU-WQRHYEAKSA-N 396.424 4.065 30 40 GIEB COC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218473465 YLYWCXQADYNOIR-SQNIBIBYSA-N 396.295 4.089 30 40 GIEB Cc1cccc(OCc2nc(SCc3cccc(F)c3)nc(N)c2C#N)c1 223685308 QFLZJKRBBPUXHO-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)SC1=S 15013496 FOCOGUXQDJMJFG-MHWRWJLKSA-N 385.466 4.340 30 40 GIEB COc1ccc(NC(=O)/C(=C/n2c(=S)[nH]c3cc(C)ccc32)C(C)=O)cc1 1637446 PFKKNJDZZIDAGP-LFIBNONCSA-N 381.457 4.085 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C1CCCCC1 6897060 ABTRWGIBCUATFY-UHFFFAOYSA-N 386.521 4.251 30 40 GIEB N#Cc1c(-c2ccccc2)n2c(-c3ccccc3)nn(-c3ccccc3)c2nc1=O 624396 UFIUJUZLRLNWAP-UHFFFAOYSA-N 389.418 4.086 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 1754906 OQIYBZJUGJOBOL-VCHYOVAHSA-N 397.477 4.386 30 40 GIEB CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)CC1 4310168 QZNLMHPQHOSZFJ-GOSISDBHSA-N 392.503 4.349 30 40 GIEB aggregator N#Cc1ccc(-c2cccnc2)nc1SCC(=O)c1cc2ccccc2oc1=O 5741266 OVNOJYUKMGPHCM-UHFFFAOYSA-N 399.431 4.097 30 40 GIEB Cc1ccc(/N=C2/S/C(=C\c3ccc(OCC(=O)O)cc3)C(=O)N2C)cc1C 5795082 ZXBQQEXOPFZXRF-CXSMVCKMSA-N 396.468 4.001 30 40 GIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 6813945 SXISQEIHNVJFLS-MJGOQNOKSA-N 397.858 4.097 30 40 GIEB Cc1ccccc1Nc1nnc(SCC(=O)Nc2sccc2C#N)s1 6896047 UUSIQSUFIJDLMN-UHFFFAOYSA-N 387.515 4.254 30 40 GIEB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)c(C)c1 25455078 GDNNPSUMXLMOAY-MRXNPFEDSA-N 396.516 4.324 30 40 GIEB N#Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 58160066 RAHRQFLYKSHFCA-UHFFFAOYSA-N 396.494 4.133 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N1CC 109596666 IQXMVYAFXOMAOT-WGZDZCCCSA-N 385.445 4.475 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)N1 2247052 WWQAACRTNOQRNC-KRWDZBQOSA-N 379.851 4.335 30 40 GIEB C=CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2292872 GJKCDMKWUZZISP-NSHDSACASA-N 388.562 4.072 30 40 GIEB N#Cc1c(NC(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)sc2c1CCCC2 4504954 JVMIQOXWHPFJPY-INIZCTEOSA-N 385.876 4.284 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 4918717 DKBGDSOWCINPGB-MGPUTAFESA-N 386.469 4.085 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1cccc(F)c1 4919789 HTODJKLWUQUWLA-PGRDOPGGSA-N 398.430 4.162 30 40 GIEB CCSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 5245289 KRSAAQUYKKMZGQ-UHFFFAOYSA-N 379.489 4.308 30 40 GIEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2cc(Cl)ccc21 6658697 KRLHSNXFWZHZIY-QHCPKHFHSA-N 391.854 4.486 30 40 GIEB CN1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@H](c2ccccc2)C1 30029567 PJYVVEJXVJTORP-BYUVYSIJSA-N 398.510 4.083 30 40 GIEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)c1 96296175 ZTUNSYYNDPQYCE-INIZCTEOSA-N 384.892 4.237 30 40 GIEB biogenic,in-vitro Cc1cc(Br)c(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 100376064 DKQGAWSTUBUWLI-UDWIEESQSA-N 375.266 4.050 30 40 GIEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224673970 XXNVRNRISGWOJK-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB CCCCc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409243761 YEXOTZYWOJQCQA-JJIBRWJFSA-N 380.488 4.017 30 40 GIEB CC1CCN(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)CC1 4918138 LDXZEUXDPCKYPK-UHFFFAOYSA-N 394.496 4.125 30 40 GIEB N#Cc1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCCCC2 5488063 MBIGKVKJUOMEBV-UHFFFAOYSA-N 392.484 4.010 30 40 GIEB CN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)C1(C#N)CCCCC1 6351665 RHCNVZLWMXGSAT-UHFFFAOYSA-N 392.455 4.321 30 40 GIEB CN(C)S(=O)(=O)c1cccc(COc2ccc(-c3ccc(C#N)cc3)cc2)c1 7785644 PZCWSONMPVDUPS-UHFFFAOYSA-N 392.480 4.055 30 40 GIEB Cc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cc(F)cc(F)c2)c1 8856463 CSBQVWKFASWXTC-SZNDQCEHSA-N 392.409 4.280 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)c1c(O)n[nH]c1N2 12347130 BUBSZHYMPAPDIS-IBGZPJMESA-N 387.439 4.259 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)S2)cc1 14008727 FNFCZZBILBMWRO-XDHOZWIPSA-N 398.484 4.383 30 40 GIEB CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 22115686 XVEKVNQEWDNLEO-UHFFFAOYSA-N 377.488 4.278 30 40 GIEB N#Cc1ccccc1NC(=O)CNc1ccccc1N1CCc2ccccc2C1 32803987 YGNQNZCVBMQWRZ-UHFFFAOYSA-N 382.467 4.172 30 40 GIEB COc1cc(/C=N/N=c2/[nH]c(-c3ccccc3)c(C)s2)cc(OC)c1OC 59193909 WLKJWYVRFAAAKB-CIAFOILYSA-N 383.473 4.012 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3C)c(OC)c1OC 95117719 YIJNTIMMHJGOEY-KBPBESRZSA-N 394.471 4.339 30 40 GIEB Cc1c(/C=C2/SC(O)=N/C2=N\c2ccc(OC(F)(F)F)cc2)cnn1C 95480341 JGJISPBVSSPUMF-NTUHNPAUSA-N 382.367 4.359 30 40 GIEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224726621 VDZWIASZZSKLOW-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1OCc1ccccc1 408891139 MEKVZOLIYGDIBK-WSDLNYQXSA-N 378.388 4.023 30 40 GIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(Cl)c1 409295456 DPLYMJVQRWVQIE-UHFFFAOYSA-N 376.641 4.003 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc([N+](=O)[O-])cc1 2333736 RVXSMCAHOPQBNE-ZDLGFXPLSA-N 377.308 4.023 30 40 GIEB N#Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1Cl 6083477 MWDDLDDBPQTLTO-QGZVFWFLSA-N 395.875 4.317 30 40 GIEB Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCC#N)SC2=S)cc1 6502003 PLMBZUUIZLSZII-PDGQHHTCSA-N 380.494 4.299 30 40 GIEB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 12789355 CVAQEUFYLPFWHN-GFCCVEGCSA-N 382.803 4.033 30 40 GIEB CSc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 20028902 GNTMAWCWFYNVOC-OAQYLSRUSA-N 396.556 4.389 30 40 GIEB Fc1ccc(Br)cc1/C=N/n1c(S)nnc1-c1cccs1 28380254 SVTVOJVDXNCKOO-FRKPEAEDSA-N 383.271 4.079 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)c(C(F)(F)F)c1 47167037 BHZWJIPGAWSGFD-UHFFFAOYSA-N 377.347 4.470 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 101247395 PCYOCYOXGZDBQY-HVESIFNPSA-N 398.256 4.057 30 40 GIEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC(C)C 409034446 NNJBUHYNGYOBSR-FINSYCMTSA-N 390.299 4.444 30 40 GIEB Cc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 409046054 IDECHNAUASSXRH-RRERASOBSA-N 392.458 4.221 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409341555 FFNZCQRMFFBTPZ-UHFFFAOYSA-N 379.803 4.206 30 40 GIEB Cc1c(C(=O)COC(=O)c2ccc(Cl)cc2)c2ccccn2c1CCC#N 3240496 GSSQJQBXSBQTML-UHFFFAOYSA-N 380.831 4.397 30 40 GIEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C(C)C)cc3)C2)cc1 3671997 BXDAHCQUEITDEX-FQEVSTJZSA-N 392.499 4.362 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC 4626480 ZEVVRBSGIYFUAB-YWZLYKJASA-N 389.492 4.205 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](CCCC)C(=O)O)C1=O 5371425 VNTRXWNHAYUPNL-QXPQOBGOSA-N 391.514 4.096 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@H](/C=C/c4ccccc4)CC3=O)Nc3ncnn32)cc1 9190062 KDQRDNBPQAAPFX-DBFDSENCSA-N 398.466 4.248 30 40 GIEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ncc[nH]2)cc1 18199797 PLGDWBIBNVMHJK-HXUWFJFHSA-N 387.487 4.413 30 40 GIEB COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682367 CYCFKJOMTSSBSV-NLRVBDNBSA-N 383.495 4.417 30 40 GIEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc([N+](=O)[O-])cc1)=C2 62001432 RODZRHMFGNMYGX-UHFFFAOYSA-N 396.443 4.102 30 40 GIEB biogenic N#CCCN(Cn1nc(C2CC2)n(-c2ccccc2)c1=S)CC(F)(F)F 72312360 OISIRGCOJSXWGQ-UHFFFAOYSA-N 381.427 4.016 30 40 GIEB N#C[C@@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 95455106 ZZPFLFOALGXKGW-GFCCVEGCSA-N 385.880 4.118 30 40 GIEB CCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCC)cc2O)cc1 100245453 YFNWQJFEZDDBTK-UYRXBGFRSA-N 381.428 4.314 30 40 GIEB biogenic,in-vitro N#CC1(c2ccccc2)CCN(C(=O)c2ccnc(OC3CCCC3)c2)CC1 245180756 ZJOLROMJFWZNAC-UHFFFAOYSA-N 375.472 4.101 30 40 GIEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CC3)n2)cc1 663395 HLEFDRDXHXBSFS-UHFFFAOYSA-N 391.418 4.318 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1C 995704 UJAXTNZZQUUWAC-UHFFFAOYSA-N 393.262 4.120 30 40 GIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 1354406 VWUQPKRDRXGCTG-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB CCOC(=O)[C@H](Cc1ccccc1)C(=O)C/C=N/OCc1cccc(Cl)c1 4091961 SYMSVNZGWUIHPN-AOOMUMSASA-N 387.863 4.224 30 40 GIEB C=CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4104878 BIFACLOIZIKJPO-ZEQQQVMLSA-N 384.516 4.433 30 40 GIEB biogenic,in-vitro CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 4626400 TYGSOACVXFGKEH-FOIQADDNSA-N 389.492 4.205 30 40 GIEB C=CCSc1nnc2n(-c3ccccc3C)c(=O)c3c4c(sc3n12)CCC4 4857333 OPCDWANWIBVERO-UHFFFAOYSA-N 394.525 4.170 30 40 GIEB CCN/C(S)=N\N=C\c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 5009739 ZXFZKNNTOGIEIL-LSHDLFTRSA-N 395.887 4.296 30 40 GIEB COc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1CSc1ccccn1 6275798 RDWBVQDIPZZUHT-VQHVLOKHSA-N 379.485 4.321 30 40 GIEB Cc1c(C)n(-c2ccccc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 6661837 NYQWCWNCGCYYKN-DHRITJCHSA-N 396.454 4.236 30 40 GIEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406412 BXNFOBNRWXOKDB-WIUPITTCSA-N 378.428 4.177 30 40 GIEB Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccc(C#N)cc2Cl)cc1 12800031 LSPAQZFDUJHXDJ-UHFFFAOYSA-N 380.835 4.032 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)OCCCO4)s2)cc1 13010542 TVISEFMOMZNHOO-UHFFFAOYSA-N 391.452 4.019 30 40 GIEB CCCC(CCC)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)S1 18077932 QPURGUYZHSSWFU-KRWDZBQOSA-N 388.537 4.121 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(C(C)C)n2C2CC2)c1 29802155 MFXDNODGERCNKH-UHFFFAOYSA-N 397.548 4.392 30 40 GIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 45244763 NXTBXUJOVLKSAQ-NSHDSACASA-N 389.550 4.010 30 40 GIEB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)sc1C#N 95995677 XDMAPGSONMOLAG-UHFFFAOYSA-N 380.539 4.112 30 40 GIEB C[C@H]1CCCCN1c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] 226362678 SKZXPOHEMVYCBV-HNNXBMFYSA-N 388.427 4.488 30 40 GIEB Cc1ccccc1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 408576719 ZPUXTEKKCRWNJE-UHFFFAOYSA-N 397.430 4.475 30 40 GIEB C=CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OCC 4690159 PVBCTRTXWZEEBF-KGENOOAVSA-N 380.473 4.453 30 40 GIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 12862177 NMGLQCVYIGZBEB-NKVSQWTQSA-N 382.412 4.284 30 40 GIEB biogenic O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3ccccn3)nc1N2 18198783 VYFQUNHJKSPNTN-QGZVFWFLSA-N 395.513 4.049 30 40 GIEB COc1ccccc1/C=N/N=C1/SCC(=O)N1Cc1cccc2ccccc12 31892829 LQPLQKVUNNXXMT-BXBPIDJQSA-N 389.480 4.314 30 40 GIEB CCc1cc(C#N)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)s1 40157073 HZHJFOGICFKUAC-UHFFFAOYSA-N 380.473 4.178 30 40 GIEB CCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@H](C)c1ccc(C#N)cc1 69349165 CXDGZTXZRKMKQS-XLIONFOSSA-N 380.492 4.081 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 97105068 GDGQGZVPLMINLE-KNQAVFIVSA-N 380.440 4.023 30 40 GIEB O=C1CCCC2=C1C(c1cc(Cl)cc(Cl)c1O)C1=C(CCCC1=O)N2 409039525 WVFVSUVSJTYOLO-UHFFFAOYSA-N 378.255 4.400 30 40 GIEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1 409052979 FVOZQCPHJVNOPN-MSYUKONTSA-N 382.441 4.017 30 40 GIEB COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C#N 3496609 YEZZBZOPUAEGGV-MRXNPFEDSA-N 394.500 4.175 30 40 GIEB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 4737193 CKLAPKVEJOKEHE-QHJPAULQSA-N 382.504 4.145 30 40 GIEB C=CCn1c(C)cc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)c1C 6288194 RZFFTTNPIQWZEQ-UHFFFAOYSA-N 392.484 4.304 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1occc1C 6602901 BHGOBDBGRXKPGJ-UHFFFAOYSA-N 399.472 4.025 30 40 GIEB N#Cc1ccccc1COC(=O)COc1ccc(Cl)cc1Br 7698972 JLKSLHOYUNNDFK-UHFFFAOYSA-N 380.625 4.096 30 40 GIEB C=CCNc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)s1 7781724 FXCIITZBFLWLNP-UHFFFAOYSA-N 378.486 4.292 30 40 GIEB CC(=O)Nc1cccc(/C(C)=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 13129891 REFQPMPVPFQXCY-LSHDLFTRSA-N 380.326 4.408 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc(F)c1 13748502 JZHFDHNKGIQKCX-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB Cc1cc(C)c2nc(NCCNC(=O)Nc3ccccc3F)c(C#N)cc2c1 35313605 VFWYDCVNWKAPHN-UHFFFAOYSA-N 377.423 4.096 30 40 GIEB O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCN(Cc2ccco2)CC1 40104561 DJRFLWNBJMMLOT-UHFFFAOYSA-N 391.496 4.091 30 40 GIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccccc1O 100149560 MQCFIIDIABTEOH-NKFKGCMQSA-N 391.456 4.015 30 40 GIEB CCCCCCCCCC(=O)N1C[C@@H](c2ccccc2)[C@@H](C(=O)OCC)C1=O 100925272 MFXQINILXNOJCK-PZJWPPBQSA-N 387.520 4.459 30 40 GIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218406135 DTDQJTKBBHTPNA-UFYCRDLUSA-N 389.904 4.135 30 40 GIEB COc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 977002 YAIAQCQZPLRQCA-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 1223595 QSPGVAPEHPPUKK-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265180 VBTZTTLEKGCDSV-RDJZCZTQSA-N 380.492 4.063 30 40 GIEB C=CCN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 2325412 RSVSWRMZAINDCX-HXUWFJFHSA-N 397.272 4.007 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(C)cc1 4919711 VLLQKPYFNZJKMZ-CVDCTZTESA-N 394.467 4.332 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 5079442 UFHSVXMPQLRCSW-RZXPCSSPSA-N 385.847 4.488 30 40 GIEB COc1cc(C#N)ccc1O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5198550 RHMQVLMWTLBTDV-NRFANRHFSA-N 376.387 4.465 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)OCCOc2c(Cl)cccc2Cl)cc1 5813203 FPMYELOTKROTQO-UHFFFAOYSA-N 393.226 4.081 30 40 GIEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 9423968 AWWNMUYVPQRIGI-FBHDLOMBSA-N 388.398 4.189 30 40 GIEB COc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 12390927 JZHLIXPDBLLABF-DVZTZUIZSA-N 382.847 4.211 30 40 GIEB O=C(C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccccc1 20546549 DNFJTXYJHUNVRO-UHFFFAOYSA-N 391.448 4.001 30 40 GIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608320 LSUJEBPDDRYGCQ-ORAYPTAESA-N 397.548 4.114 30 40 GIEB CC(=O)N(c1nc(COC(=O)C2(C#N)CCCC2)cs1)c1ccccc1F 24841460 SQFHIFCGNGOMOM-UHFFFAOYSA-N 387.436 4.094 30 40 GIEB O/C(=N\c1nnc(Cc2ccccc2)s1)[C@H]1CCCN1Cc1ccccc1 48362474 FYABOEHEDYRTHS-GOSISDBHSA-N 378.501 4.382 30 40 GIEB O=C1CSC(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)=N1 59194218 MYOOGSITCAROBT-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB Cc1ccccc1SCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 157734301 ZBRJAWOBSMYCJY-UHFFFAOYSA-N 376.485 4.400 30 40 GIEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1C 408909672 IBTFMVSASRGHSL-UUYOSTAYSA-N 392.415 4.455 30 40 GIEB N#C[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 527827904 GSPXOEPOXJVDIU-SQNIBIBYSA-N 387.252 4.463 30 40 GIEB CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 2335309 WNARUGMAYFDEBN-GOSISDBHSA-N 393.535 4.312 30 40 GIEB C=C(C)Cn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2361724 RBLHZOXHUWCHNN-UHFFFAOYSA-N 377.513 4.470 30 40 GIEB Cc1cc2c(C#N)c3n(Cc4ccccc4)c4ccccc4n3c(=O)c2c(C)n1 3192119 DGTUIINNRZERHW-UHFFFAOYSA-N 378.435 4.339 30 40 GIEB Cc1cc(SCC(=O)N2CCC[C@H](C)C2)n2c(nc3ccccc32)c1C#N 4270121 NWOWGLXKUSVBNJ-AWEZNQCLSA-N 378.501 4.018 30 40 GIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 4488261 KERRXZUYACANCR-NSPYISDASA-N 398.438 4.342 30 40 GIEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1O 5336057 UYLBHOSDXCBFOS-VCHYOVAHSA-N 397.212 4.155 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 5455427 HMUOHIRTLBVWNC-RGVLZGJSSA-N 377.360 4.186 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9253771 GBWRIBJNCGJAQA-KRWDZBQOSA-N 390.468 4.126 30 40 GIEB Cc1sc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C 10219143 RQZAWQWJPHWNJM-UHFFFAOYSA-N 396.921 4.083 30 40 GIEB N#Cc1ccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1 13285071 PRMHACFMULNDJG-UHFFFAOYSA-N 386.242 4.065 30 40 GIEB CC1(C)CC(=O)C(=CNc2nc3ccc(Br)cc3s2)C(=O)C1 13999581 DHXYKFRBARKNGX-UHFFFAOYSA-N 379.279 4.313 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 17370092 IPHADPKUEXVPBL-OAHLLOKOSA-N 395.846 4.217 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 19536395 SHMAOZLVWYHCFU-QGZVFWFLSA-N 379.378 4.236 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408764732 YDVQJHCUCLZNBY-HYARGMPZSA-N 381.501 4.023 30 40 GIEB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)N1O 655612 ZYIZDMQMAGEAHF-QGZVFWFLSA-N 385.763 4.464 30 40 GIEB Cc1ccc(Cl)c(NC(=O)CO/N=C/c2ccc([N+](=O)[O-])cc2)c1Cl 3300829 YEXQRJUNZFZZFJ-UFWORHAWSA-N 382.203 4.199 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]21C 4014905 UQWZWQYTKPEDAK-FCUGFLGKSA-N 380.484 4.403 30 40 GIEB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 6001604 RQEWVZFVNNIPTG-CQSZACIVSA-N 387.892 4.100 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2nc3ccccc3n2C)o1 7343370 HARCBHBXACTJBG-CIAFOILYSA-N 391.387 4.196 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccc(F)cc2)N1 9087490 XOSANJAIWKZBHK-QGZVFWFLSA-N 397.841 4.474 30 40 GIEB CC(C)CCN1C(=O)/C(=N\Nc2ccc(C(F)(F)F)cn2)c2ccccc21 13522845 ZCKMTXBISJSCOH-UQQQWYQISA-N 376.382 4.309 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)c(OC)c1 18197185 COEGWJDKYMGFQX-QFIPXVFZSA-N 395.455 4.286 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)CCC(=O)CCC(=O)c1ccc(C)s1 58007896 YBQMTZXJPQICGG-UHFFFAOYSA-N 395.524 4.339 30 40 GIEB C=CCSc1nnc(C)c(/C=C/NOCc2ccc(Cl)cc2Cl)n1 100104801 XDDWOXSBZNMMSV-VOTSOKGWSA-N 383.304 4.457 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(Br)c(Cl)c1 100375869 MVWDGVCZAOQWIH-HMMYKYKNSA-N 391.656 4.293 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC(=O)[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C2 1740818145 HCBUSRAMDZPDCW-JTQLQIEISA-N 395.286 4.101 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769828 QVJJTTWPHZLECW-YUNKPMOVSA-N 396.372 4.111 30 40 GIEB C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@H](C)NC1=O 14612874 YCCLECFRSYOPML-HYTQYMIGSA-N 391.515 4.116 30 40 GIEB biogenic,in-vitro COc1ccc(CN(C)c2cc(C)c(C#N)c3nc4ccccc4n23)cc1OC 25251816 ADBQHCJSTNNQDW-UHFFFAOYSA-N 386.455 4.321 30 40 GIEB CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCCc2nc3ccccc3[nH]2)C1 100168946 LVGRICFONWQIIB-UHFFFAOYSA-N 387.483 4.221 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(F)cc2)n1 102494497 OIKKRNXCJCJJHI-SELCWUDQSA-N 394.427 4.217 30 40 GIEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 20636581 GRQGZIWEGZXHHH-RUZDIDTESA-N 395.462 4.140 30 40 GIEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1nccs1 408560607 LRGIRQVCNSBPNS-UHFFFAOYSA-N 379.555 4.164 30 40 GIEB COc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccccc1 409023139 NRLYGAYSRJFGIQ-CIAFOILYSA-N 381.457 4.434 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 4739376 IQSFGISEECTDHE-UDWIEESQSA-N 379.376 4.357 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 409172739 HSGARBGWIXBUHW-UBKPWBPPSA-N 398.827 4.177 30 40 GIEB COc1ccc(OC)c(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)c1 408723491 VTFQZQAATNTTCY-UFFVCSGVSA-N 382.441 4.479 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC/C(=C\c4ccco4)C(=O)[C@@H]3C[C@@H](O)[C@H]12 230078001 ZSHIOALVDOKIOB-BOUYKGSWSA-N 384.516 4.216 30 40 GIEB N#C[C@@]1(N2CCOCC2)[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 257173128 DKJWIUXWEIZLOP-BDUWWWMKSA-N 387.527 4.083 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)s1 4189550 KNMKUACJGXILQD-RDBACFOTSA-N 382.485 4.287 30 40 GIEB Oc1ccc2ccccc2c1/C=N/Nc1nnnn1-c1cccc2ccccc12 4481173 NALNWSLCPVWTLC-OEAKJJBVSA-N 380.411 4.120 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1nc(-c3ccncc3)nc1N2 4279858 YOWMHJJVEKJJKY-SFHVURJKSA-N 377.835 4.016 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2cccs2)cc1 104226603 MOQUWWQSQORJHX-IDTYTIONSA-N 382.466 4.139 30 40 GIEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCCCCC1 2438476 LCSNCMJOWOOZTG-MOSHPQCFSA-N 394.427 4.293 30 40 GIEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5185420 BVDMMNZZRNKSPI-LGQZLYSRSA-N 376.767 4.036 30 40 GIEB Cc1nc2ccccc2n1CCc1n[nH]c(=S)n1/N=C\c1ccccc1Cl 13409792 YYGOUWRXXMYUNP-MTJSOVHGSA-N 396.907 4.377 30 40 GIEB CC(C)(O)C#Cc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1 19080869 FIAHFWFDNHLBCX-IBGZPJMESA-N 382.554 4.401 30 40 GIEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2)c1 44858718 PZWUTKZEFGYODI-QFIPXVFZSA-N 398.466 4.466 30 40 GIEB CN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1(C#N)CCC1 58391256 QQOQERVFQJMEQO-UHFFFAOYSA-N 376.485 4.145 30 40 GIEB O=C1/C(=N\O)c2cc(Cl)ccc2N1CCCOc1ccc2ccccc2c1 101102070 GJIMDHRUIBBFQC-ATJXCDBQSA-N 380.831 4.487 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1 103459120 JNZCUNACGHGWKK-QCLNCQLRSA-N 387.549 4.366 30 40 GIEB CCOc1cc(/C=N\Nc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 408730912 VQXYLABWLSQGMM-UCQKPKSFSA-N 392.415 4.414 30 40 GIEB COc1ccc(Cl)cc1/N=C/c1cc(Br)c(N2CCOCC2)o1 408848804 UPDFHWQDZPDMMA-VXLYETTFSA-N 399.672 4.291 30 40 GIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1 408912488 GWXUVPAEJFZKQK-YDZHTSKRSA-N 376.412 4.330 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 820506 HOAJJBKVSZFKHB-LJQANCHMSA-N 398.459 4.150 30 40 GIEB COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3ccccc3C#N)ccc2c1 2735892 MXZXASVRUPNMKF-OAHLLOKOSA-N 388.423 4.005 30 40 GIEB CCCC[C@@H]1S/C(=N\N=C\c2ccc3c(c2)OCO3)N(c2ccccc2)C1=O 4134818 ZVOKNIXZKPUIRG-JIIKEMMSSA-N 395.484 4.444 30 40 GIEB COc1cc(C(=O)OCc2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 6455904 JRJYLARBLQVYQD-UHFFFAOYSA-N 392.411 4.108 30 40 GIEB C=C(C)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 7352842 HLOQFQLXAYHLCX-UHFFFAOYSA-N 382.485 4.130 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1Cc1ccco1 7893691 ISWYCKQXFCGZCJ-VXLYETTFSA-N 383.364 4.009 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1 8471245 DESGHZKJDUHOFL-UHFFFAOYSA-N 393.516 4.380 30 40 GIEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 20605581 QVMGEJZLCPWSLL-UHFFFAOYSA-N 379.363 4.031 30 40 GIEB CCOc1ccc(/C=C(\C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1OC 35169153 ZSGKVLLZTRKEFQ-RVDMUPIBSA-N 378.346 4.492 30 40 GIEB N#Cc1cc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)ccc1F 72329833 DRILHMUMAWZYLC-UHFFFAOYSA-N 381.215 4.385 30 40 GIEB C[C@@H](/C(O)=N/c1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)c(Cl)c1 82120564 HNTMDFGVEKVKSK-JTQLQIEISA-N 393.274 4.272 30 40 GIEB CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(N3CCCC3)c2CO1 95479679 QKEJDFOUFSKVDD-UHFFFAOYSA-N 376.504 4.059 30 40 GIEB CC1=C(C(=O)CC(=O)C(=O)Nc2cc(C)ccc2C)Sc2ccccc2N1 102948925 WBZYQVHSUBWZCY-UHFFFAOYSA-N 380.469 4.220 30 40 GIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025268 BZKIFSVOKCFNDW-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB COc1ccc(C(=O)O/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 716588 UZGTZMRNPSLYKX-QLYXXIJNSA-N 381.391 4.228 30 40 GIEB C[C@@H](CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 2310441 PKMQFNMGHMGZKM-QMMMGPOBSA-N 381.238 4.375 30 40 GIEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccccn1 2654686 QGPVXDOJTOISRH-UHFFFAOYSA-N 380.473 4.030 30 40 GIEB O=C1CSC(N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)=N1 4679821 PINLMEGNOXZHJC-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 5629606 JSVHJSIGHXRTAQ-LLVKDONJSA-N 379.243 4.130 30 40 GIEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C 30883492 DHPVXHJNZKITQN-BJLQDIEVSA-N 381.495 4.496 30 40 GIEB biogenic,in-vitro C#CCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 73638338 SMEUJHWJCGXQBM-UHFFFAOYSA-N 384.023 4.262 30 40 GIEB C=CCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1Br 95452235 IGTVOPIDSNCSOT-UHFFFAOYSA-N 389.249 4.225 30 40 GIEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccccc1 408909259 GYFDHEONNAYWLS-LTQOCESHSA-N 380.469 4.487 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409064327 DBPTUXYDPYQQFY-LDADJPATSA-N 396.424 4.396 30 40 GIEB C=CCOc1c(I)cc(CNc2ccccc2)cc1OC 409113824 FWIGQCNBXJTDLP-UHFFFAOYSA-N 395.240 4.477 30 40 GIEB Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2-c2ccccc21 603817607 URNNEKARSJKVOQ-UHFFFAOYSA-N 383.451 4.422 30 40 GIEB O=C(NN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1)c1ccccc1 5601584 ZSNZRVUSPYMOKJ-LTQOCESHSA-N 389.436 4.229 30 40 GIEB N#CC1(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)CCCCC1 7160913 QESJLUOYWBPNJM-UHFFFAOYSA-N 394.422 4.083 30 40 GIEB Clc1ccccc1CN1CCN(/N=C\c2ccccc2Br)CC1 19790556 FLTQNBFKEVWGHR-BKUYFWCQSA-N 392.728 4.254 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(N(C)C)cc2)n1 60596299 SDPGMYCRIZXLNV-UHFFFAOYSA-N 394.422 4.077 30 40 GIEB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 95986369 VKAOXGGSZOXJTF-UHFFFAOYSA-N 376.243 4.256 30 40 GIEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 210551394 SAMYIXYLWPPNPS-DLTWUOELSA-N 396.468 4.407 30 40 GIEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224720254 WMZHLUMBRQTEIQ-UHFFFAOYSA-N 393.892 4.206 30 40 GIEB CCOc1cc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)ccc1O 408978415 ZPQRPLNXRPKGCV-CIAFOILYSA-N 380.404 4.252 30 40 GIEB Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 795178 DXDHQDDZSHQFJU-UHFFFAOYSA-N 379.485 4.148 30 40 GIEB CC(C)Nc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)s1 3383273 VZUYRWIAZTXUAX-MHWRWJLKSA-N 388.562 4.331 30 40 GIEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@@H]1c1ccc(F)cc1 3878648 JXXIPFXSLCWZLE-FKBYEOEOSA-N 383.426 4.206 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 4385544 KJRSDWVJNUQKFH-OYHNWAKOSA-N 382.423 4.440 30 40 GIEB COCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 19814527 ZSVSAXZGJHENKB-DNLCFCFBSA-N 377.469 4.418 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 20503837 RDNDAGHBJDTOFI-UNOMPAQXSA-N 382.416 4.149 30 40 GIEB COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)c1ccc(Br)cc1 21006057 XOYHHBFIJJOQBB-BOZGJOGLSA-N 390.233 4.190 30 40 GIEB O=C(NCC#Cc1ccccc1)N1CCC[C@H]1c1cccc(Br)c1 89821650 QYKKTQZMSQFKPT-IBGZPJMESA-N 383.289 4.347 30 40 GIEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 96346664 VCFQBHMMOZGFNF-PMACEKPBSA-N 388.446 4.283 30 40 GIEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409097040 MAZRDZUUPUEELN-RIYZIHGNSA-N 398.278 4.079 30 40 GIEB CC(F)(F)c1ccccc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 529110974 KRHSFFYSVAOTGF-UHFFFAOYSA-N 385.414 4.497 30 40 GIEB CCOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 4561169 JOWHLVYTVNILOE-KGENOOAVSA-N 389.293 4.435 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 13282216 ODTVTKNTHDWUIX-LJQANCHMSA-N 379.485 4.058 30 40 GIEB C[C@@H]([C@@H](O)c1ccccc1)N(C)CC#CCC(O)(c1ccccc1)c1ccccc1 20411686 MHYMFBGDRNOBJX-BKMJKUGQSA-N 399.534 4.370 30 40 GIEB biogenic Cc1ncc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 40149556 JVVKTUVQBMQUDC-UHFFFAOYSA-N 388.562 4.114 30 40 GIEB O=C1CS/C(=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)N1C[C@H]1CCCO1 102438394 MWAHXDSMBRLNHS-FVGNFYTDSA-N 397.456 4.004 30 40 GIEB CCOC(=O)Cn1cc(/C=N/Nc2nc3ccccc3n2CC)c2ccccc21 408692720 SWAJQWGOMGLCFE-YDZHTSKRSA-N 389.459 4.020 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 409049914 YPRMVJNOBIUGRX-XNTDXEJSSA-N 388.242 4.379 30 40 GIEB CC(C)C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3024810 JHBNPKDFJZTMFA-UHFFFAOYSA-N 380.691 4.484 30 40 GIEB C#CCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033348 XNMKUJYJOPITKW-CQSZACIVSA-N 383.373 4.209 30 40 GIEB N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6351009 GBDRRXLKMJFFDZ-UHFFFAOYSA-N 378.409 4.208 30 40 GIEB C[C@@H]1C[C@@H](C)CN(Cc2csc(/N=C(\O)c3cc4ccccc4[nH]c3=O)n2)C1 32907438 RBKDCZWIOHKWML-ZIAGYGMSSA-N 396.516 4.099 30 40 GIEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)NC(=O)CO2 61101382 PPBXZRJWOJYIAG-QPSGOUHRSA-N 385.638 4.209 30 40 GIEB CC1(C)CC(=O)C(=CNc2ccnn2Cc2ccc(C(C)(C)C)cc2)C(=O)C1 102633003 REUHWPJQZKIJKL-UHFFFAOYSA-N 379.504 4.483 30 40 GIEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102932480 PCIXHNDIUUIKHG-LFVOPCPISA-N 377.371 4.041 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1O 408600468 ZHAWLWIOKZIPHU-UHFFFAOYSA-N 394.500 4.184 30 40 GIEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc(F)cc1 408751714 ANDZYDZORYDUMK-VGOFMYFVSA-N 377.784 4.279 30 40 GIEB Cc1cncc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1 585294440 FOSGKQQLWGYYOW-SFHVURJKSA-N 376.489 4.194 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1c1ccccc1 1079964 IMFKAJVJQYZBAB-WIYYLYMNSA-N 394.427 4.135 30 40 GIEB C=CCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2194770 BSAHIOGIBIYXJI-UHFFFAOYSA-N 392.846 4.211 30 40 GIEB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060402 QJJBOHPGHFXDPI-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB CCCOc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)c(O)c1 4858087 VETRKTSKFVDHFE-BUVRLJJBSA-N 391.475 4.338 30 40 GIEB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc(C#N)cc2)cs1 5507003 FTOCNFCQLJWOLS-UHFFFAOYSA-N 391.452 4.365 30 40 GIEB O=C1N/C(=N/c2cccc(Br)c2)S/C1=C\C=C\c1ccco1 5553135 IDQRWAWTJJMWBU-NTOUICHMSA-N 375.247 4.490 30 40 GIEB C[C@@H]1Cc2ccccc2N1/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1 12560900 BHHBSPLRKGEGTF-BXACRRSSSA-N 394.471 4.412 30 40 GIEB COc1cc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)ccc1O 35647641 LNCGGJUFIFEZIK-XDHOZWIPSA-N 376.437 4.446 30 40 GIEB CCCCC(NCCc1c(C)[nH]c2ccc(OC)cc12)=C1C(=O)CCCC1=O 100140087 YIYQERWTTVEAES-UHFFFAOYSA-N 382.504 4.383 30 40 GIEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223126004 AXMRZOKJVDKSRG-OAQYLSRUSA-N 398.934 4.382 30 40 GIEB Cc1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1Cl 254841803 SAQHNUNQEJAHMU-KODHJQJWSA-N 380.831 4.049 30 40 GIEB Cc1c(/C=C2\SC(=Nc3cccc([N+](=O)[O-])c3)NC2=O)c2ccccc2n1C 408812168 CGHHKKXOHGSNSB-WQRHYEAKSA-N 392.440 4.287 30 40 GIEB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 3219487 CVDBBSLNQKCOGP-UHFFFAOYSA-N 394.814 4.169 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 5409059 JYSTTYUZXWSDLJ-HRAATJIYSA-N 393.483 4.078 30 40 GIEB N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1Cl 7641882 YRPHHKVQBRWNJP-AEFFLSMTSA-N 385.920 4.461 30 40 GIEB Cc1c(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc(C#N)n1C 8935630 MNBACBKFVOHTEJ-GZIVZEMBSA-N 399.829 4.198 30 40 GIEB COc1ccc(-n2c(C)cc(/C=N/NCc3ccc(OC)c(OC)c3)c2C)cc1 20196216 KEDBKGVXFXKBND-MFKUBSTISA-N 393.487 4.244 30 40 GIEB Cc1cc(N/N=C\c2ccc(Br)cc2)c2cc3c(cc2n1)OCO3 31769269 PIPSBAMIIZHODF-UKWGHVSLSA-N 384.233 4.480 30 40 GIEB C=CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl 33403887 XOMYLXQRPHCBSI-UHFFFAOYSA-N 386.948 4.398 30 40 GIEB CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1 58872496 GFBHTAJVHNABQE-JAIQZWGSSA-N 375.266 4.103 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 102799371 XBSVECSASFKMID-GROYHEBESA-N 394.452 4.288 30 40 GIEB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408810222 IKVXGZSVEFWTIU-UHFFFAOYSA-N 384.868 4.314 30 40 GIEB CCN1C2=C(C(=O)CCC2)C(c2ccc(OC)c([N+](=O)[O-])c2)C2=C1CCCC2=O 409047985 VKZCJIYHGXIOLC-UHFFFAOYSA-N 396.443 4.037 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc(OC)c1 2447444 FSBJDCIWOSEXBS-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB COc1ccc(/C=N/Nc2nc(-c3ccncc3)nc3ccccc23)c(OC)c1 4459550 PECSPWVVIIKURM-ZVHZXABRSA-N 385.427 4.155 30 40 GIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5254529 HPLPLMVIXOONIX-IPHDDYSGSA-N 390.794 4.426 30 40 GIEB N#Cc1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 8263574 CNKUSBXMEPYHHD-MRXNPFEDSA-N 393.493 4.438 30 40 GIEB O=C1C2=C(Nc3[nH]nc(O)c3[C@@H]2c2ccccc2C(F)(F)F)c2ccccc21 12349292 ALRYIRZJOOGBGD-CYBMUJFWSA-N 383.329 4.299 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 12923602 CKJZBYZPNFYLST-UHFFFAOYSA-N 396.830 4.175 30 40 GIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc(Br)c1 13137556 PDNJWAOKXOWTGZ-BQYQJAHWSA-N 377.234 4.371 30 40 GIEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)CC[C@@](Cl)(C(=O)OC)C1=O 100705359 RWCAQFKEUFLKTP-XLIONFOSSA-N 386.916 4.175 30 40 GIEB CCc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)cc1 103713519 WWGIOSGQRAVNAM-MAVBTGMRSA-N 395.528 4.456 30 40 GIEB C=CCN1C(=O)/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC1=S 113830446 JJYIGIQBEVGYBP-UXBLZVDNSA-N 375.258 4.289 30 40 GIEB N#Cc1c(Cc2cccc(F)c2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846892 SFBHQLBXGYWMTJ-UHFFFAOYSA-N 375.234 4.422 30 40 GIEB C=CCOc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F 225953496 VKOHWABXDONBSU-UHFFFAOYSA-N 387.398 4.244 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409068336 AKUUXZRRDKMUPP-KGENOOAVSA-N 396.424 4.422 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(O)c(O)c1 898935 FSUGMDLVMBFUGI-LJQANCHMSA-N 387.435 4.035 30 40 GIEB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 4699898 UYTAGJQYOAMOAA-YUCJCZDXSA-N 391.855 4.069 30 40 GIEB O=S(=O)(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 5774688 DWGXPXVITKAAIZ-KGENOOAVSA-N 386.860 4.445 30 40 GIEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OC(=O)OC(C)(C)C 6313441 TXOQFUNUFIBIJL-CIAFOILYSA-N 382.420 4.331 30 40 GIEB C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1C#N 11006444 UBEGKYRIWOONAU-KRWDZBQOSA-N 384.435 4.333 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2ccc(Cl)cc2Cl)cc1 12912016 RRVCZRYAHPVXOU-QGZVFWFLSA-N 379.195 4.295 30 40 GIEB Oc1c(Cl)cc(Cl)cc1/C=N\NC(=S)N[C@@H]1CCc2ccccc21 16919397 VUSKLHYALKQAMN-WJHPISCYSA-N 380.300 4.185 30 40 GIEB C(=N\N1CCN(Cc2ccccc2)CC1)\c1cccc(OCc2ccccc2)c1 31841305 UYQWKMGQNAOQLV-XHPQRKPJSA-N 385.511 4.417 30 40 GIEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 40139556 XYNOCOFCUQGNRO-XVNBXDOJSA-N 394.254 4.023 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 102876353 DGPHAVWBCGUBGD-WOOAAIBNSA-N 399.874 4.107 30 40 GIEB C#CCOC(=O)c1cc(Br)c(OCc2ccccc2)c(OCC)c1 216831385 YTPWZHMHKSIMNO-UHFFFAOYSA-N 389.245 4.217 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)cc1Cl 223757133 OBRZUQIHKKLULZ-JWGURIENSA-N 375.856 4.066 30 40 GIEB COc1ccc(Cn2nc(OCc3cccc4ccccc34)c(C#N)c2N)cc1 225848326 KBTRLDMXFSYMLK-UHFFFAOYSA-N 384.439 4.126 30 40 GIEB Cc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(C(C)C)cc2)c(C#N)c1=O 409203782 ZFLPPRVKVKDKSX-RAXLEYEMSA-N 399.450 4.405 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)c(C#N)cc2c1 1354556 BJFYAAVMCBNCQY-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C/c1ccccc1C(F)(F)F)CCCC3 3276430 IOFOCLNAWBGKMU-NUGSKGIGSA-N 377.391 4.238 30 40 GIEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1sccc1C#N 7538343 HKEUCHYBCLFKMO-GFCCVEGCSA-N 395.513 4.197 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C2\CCCC[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] 13144769 OORHLORIUYXOBG-QTIQAUKSSA-N 393.509 4.308 30 40 GIEB Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(F)cc2)Nc2ccccc2)n1 17027846 MYSZUMWUMZYTTN-UHFFFAOYSA-N 378.411 4.345 30 40 GIEB CC1(/N=C/c2cc(Cl)ccc2O)COP(=O)(Nc2ccccc2)OC1 18066843 KYHPHLIMSYBBBD-VXLYETTFSA-N 380.768 4.490 30 40 GIEB C=CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19996229 YINCIQSRZABUTQ-UHFFFAOYSA-N 398.557 4.233 30 40 GIEB N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CSCCS3)cc2)cc1 79059504 UVCKWHRRRRQWRQ-GOSISDBHSA-N 385.514 4.321 30 40 GIEB O=S(=O)(/N=C1\CCCCN1CCc1ccccc1)c1ccc(Cl)cc1 100360863 VJHXSSVOCOBVMI-XUTLUUPISA-N 376.909 4.156 30 40 GIEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(C3CCCCC3)n2)c1 223663264 DIZAHRMBYMNXJK-UHFFFAOYSA-N 382.489 4.057 30 40 GIEB CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 408896297 KFICHDGXNXFTDQ-UHFFFAOYSA-N 381.472 4.137 30 40 GIEB O=C(O)c1ccccc1-c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o1 409040655 TXDSOZXXCBJZGR-FINSYCMTSA-N 398.234 4.359 30 40 GIEB CC1=NN(c2ccccc2)C(=N)/C1=N/NC1=C(C)[C@H](C)[C@@H](c2ccccc2)C1=O 1554504468 YKQZOXQLAPWNPB-BSOVHOSGSA-N 385.471 4.082 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N 803258 QSSHKTYGFIVNOJ-UHFFFAOYSA-N 396.299 4.446 30 40 GIEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6860774 RHVZGHZDKYZOQY-LLVKDONJSA-N 399.541 4.188 30 40 GIEB N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 7947411 IPONUHRUUYTGBP-FQEVSTJZSA-N 380.494 4.234 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9484253 FJCSFSXIQJCVHR-YJYMSZOUSA-N 378.457 4.009 30 40 GIEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 36612384 DDFDIEMVQXBBGX-FQEVSTJZSA-N 389.407 4.380 30 40 GIEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58159622 BAHCXQZUWZZZLW-CQSZACIVSA-N 393.378 4.040 30 40 GIEB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 59663440 DUZJLCSJOMUMJW-UHFFFAOYSA-N 392.223 4.169 30 40 GIEB C=CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC)CC1 72345178 CAYWYEWDPMHGQV-UHFFFAOYSA-N 396.556 4.279 30 40 GIEB C#CCOc1cccc(NC(=O)N2CCC(CCN(CC)CC(C)C)CC2)c1 95459686 MNPBYMWSEVPQBA-UHFFFAOYSA-N 385.552 4.311 30 40 GIEB COc1ccccc1-c1n[nH]c(/N=C(\O)CCn2ccc3ccc(F)cc32)n1 95477819 UBCYDKRQEHVBHO-UHFFFAOYSA-N 379.395 4.252 30 40 GIEB CC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 96030656 SZOCJNYVWVFBFU-JQCRSJHRSA-N 382.500 4.209 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(Cl)c(OC)c1OC 96325949 LWGDUBBPIZXELE-GQCTYLIASA-N 390.819 4.033 30 40 GIEB C#CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226328870 UUZIEKLFMONXHI-UHFFFAOYSA-N 379.637 4.472 30 40 GIEB C=CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 408959844 GULAZQKPEUFXKG-PDGQHHTCSA-N 395.436 4.186 30 40 GIEB CC(C)(C)c1nn(Cc2ncc(Br)cc2Cl)c(O)c1CCC#N 596261532 WUCOZZBMUURVNF-UHFFFAOYSA-N 397.704 4.202 30 40 GIEB Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c(Cl)c1 849596 QOHZFJMBRWMZPI-AWQFTUOYSA-N 382.272 4.096 30 40 GIEB O=C(ON(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3014194 QQGPXENXFTUQKZ-UHFFFAOYSA-N 387.844 4.307 30 40 GIEB CCOC(=O)C1=C(C)CC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 3071017 IFLUBQFQUBDKID-NRFANRHFSA-N 382.456 4.468 30 40 GIEB COc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 3176708 WLOFUDRCHPHFQR-UHFFFAOYSA-N 397.887 4.189 30 40 GIEB COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)[C@H](c1cccnc1)N2 5302854 DKBABKTVBBEHCM-FQEVSTJZSA-N 377.444 4.090 30 40 GIEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 5602977 JDBMICBJLKPOMX-OAHLLOKOSA-N 387.892 4.205 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2 7496037 PFATZXYKDNSTTQ-OYHNWAKOSA-N 382.423 4.440 30 40 GIEB COc1cc(/C=C/C(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1OCC#N 8039577 JBAZJKNZDITHHR-VSFZPWCASA-N 376.456 4.147 30 40 GIEB C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC1CCCCC1 9483206 LUCXIBWBQGMSQW-MRXNPFEDSA-N 395.547 4.399 30 40 GIEB CCCCCCCCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 70670036 RBBZSIFZZRPZPJ-ZWJWXYIHSA-N 386.529 4.150 30 40 GIEB biogenic O=[N+]([O-])c1cccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cccc([N+](=O)[O-])c2)c1 100052789 BUVWLXJOISQWFF-CJMUASQQSA-N 380.404 4.352 30 40 GIEB O=C(/C(=N/Nc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccccc1 102826873 WLEWDCXRZASZFF-XKZIYDEJSA-N 399.166 4.231 30 40 GIEB N#Cc1c(OCc2ccc(F)cc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225847217 UHNIQMDJIULGJX-UHFFFAOYSA-N 391.233 4.410 30 40 GIEB COC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516965 YLYWCXQADYNOIR-RCCFBDPRSA-N 396.295 4.089 30 40 GIEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCCN4CCOCC4)OCC[C@@]3(C2)[C@@H]1C 257273262 NFWPEEJGMKHEHD-PGQUIULKSA-N 383.532 4.078 30 40 GIEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408935281 CMVPIRZPUKQBEH-OQLLNIDSSA-N 390.208 4.483 30 40 GIEB CC1(C)CC(=O)C2=C(C1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 2285869 ZNQLXIITEMWZLA-UHFFFAOYSA-N 393.527 4.365 30 40 GIEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1 4175530 MWDUMMQJIYIEQR-LFVJCYFKSA-N 376.441 4.495 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccccc1F 4957280 FCSYQWGZENCTIX-YQMDHOPXSA-N 399.491 4.423 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(Cl)cc(Cl)c1 5008920 JPTXFBQHBOHPRK-UHFFFAOYSA-N 376.268 4.320 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 5291509 MOCKVLSTWTZYFK-UHFFFAOYSA-N 399.450 4.171 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 6813001 SAEFVKCRTNJESL-FQEVSTJZSA-N 389.407 4.072 30 40 GIEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1 8318880 VIZGBCHDAJVMHI-ZMOGYAJESA-N 382.427 4.462 30 40 GIEB C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1C#N 11006463 UBEGKYRIWOONAU-QGZVFWFLSA-N 384.435 4.333 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 12553142 YNJWXDSEBFHACD-ABKXIKBNSA-N 391.682 4.247 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC#N 13915038 ZWHYIYULPOWPBK-SFQUDFHCSA-N 396.244 4.158 30 40 GIEB Cc1ccc(NC(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)nc1 17241669 FGFXYQVDYQQPNC-UHFFFAOYSA-N 395.278 4.192 30 40 GIEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2 18219445 BJXAUTYNWKEAGR-VBKZILBWSA-N 392.846 4.053 30 40 GIEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1 19820786 FBBXBIROFWFDEC-UHFFFAOYSA-N 387.512 4.064 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccccc1Cl 19959829 RRGYKHWKFHQLMH-RTHLEPHNSA-N 382.773 4.218 30 40 GIEB C/C(=N/NC(=S)Nc1ccc(C)cc1C)c1ccc(OCCCC(=O)O)cc1 33788357 JYHWZLVMEAZLMZ-KQWNVCNZSA-N 399.516 4.258 30 40 GIEB C#CCN(Cc1cccnc1)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 72283395 GDUWYTBKUYSSPH-UHFFFAOYSA-N 376.485 4.237 30 40 GIEB O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(C(F)(F)F)c1 101337111 HTXOOAUDXOVZHA-UHFFFAOYSA-N 385.210 4.418 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 101650812 VEIBAXDVYDCVOL-MLSMKVKPSA-N 381.501 4.148 30 40 GIEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917844 NLUGGDMYWGAERB-QGGHWVSTSA-N 386.532 4.225 30 40 GIEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)c2cc(F)ccc2N1C1CSC1 223754310 FWKZQFZVHQEQPV-JLPGSUDCSA-N 395.381 4.123 30 40 GIEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 409093330 YXSYJFRSHHPFCM-ZHZULCJRSA-N 399.402 4.308 30 40 GIEB CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(C)cc2s1 4359432 PFDJEISOKKPPOR-UHFFFAOYSA-N 392.528 4.465 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(OC)c1 5498918 NQWUSZXZZQHARL-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 16788664 FTAMXNZKIGMBBE-UHFFFAOYSA-N 393.516 4.264 30 40 GIEB N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 22615260 NTCSZQSVJLGMPU-UHFFFAOYSA-N 384.741 4.170 30 40 GIEB O=C1/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)Sc2ccccc21 33339293 FPHJFSFYBNFBIG-AWNIVKPZSA-N 378.203 4.392 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@H](C)CC(=O)O 253388356 OLDFOHABNQZMKB-PKFVECCOSA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro C#CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC)c2ccccc21 409118739 UGJJFCLVQDZJPP-LGMDPLHJSA-N 382.257 4.368 30 40 GIEB C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N 590989850 OYUSRATWIHTCGH-KOLCDFICSA-N 375.188 4.124 30 40 GIEB COc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1 3087197 SVRLJHLNMVXMQW-FRKBGCJLSA-N 383.498 4.299 30 40 GIEB Cc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(C#N)c2)s1 3253231 CCLWKRJYAZDGRY-UHFFFAOYSA-N 381.486 4.193 30 40 GIEB CCCCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 4342117 LZSBFYIOSJGYJP-FQEVSTJZSA-N 384.480 4.124 30 40 GIEB CC(=O)S[C@H]1CC(=O)C=C2CC[C@@H]3[C@@H](CC[C@@]4(C)OC(=O)CC[C@H]34)[C@@]21C 4429074 LKDYVUDIVKQQJE-RCGDKRNRSA-N 376.518 4.072 30 40 GIEB N#Cc1cccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)c1 7072226 KWMLSGCICRIXCW-UHFFFAOYSA-N 375.501 4.422 30 40 GIEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 7275656 FIFKPXRHUHCJGN-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2Cl)n1 8558940 SLVIDVJJQWMJBG-IBGZPJMESA-N 382.895 4.456 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 13127762 ZEJPIYGSIWOLIQ-GOSISDBHSA-N 379.437 4.428 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 27991038 AAVOIRJXULUILF-OAQYLSRUSA-N 389.503 4.303 30 40 GIEB N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(c2ccc(F)cc2)CC1 40149428 LNRITYWDNDBYTI-UHFFFAOYSA-N 398.388 4.174 30 40 GIEB CC(C)=N/N=c1\[nH]c2cc(C)c(NC(=O)COc3cccc(C)c3)c(C)c2s1 72228767 LLHASEAJYOCGLJ-UHFFFAOYSA-N 396.516 4.469 30 40 GIEB O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1cccc(Cl)c1 100808897 WYRCUIBVEFAYDT-FRKPEAEDSA-N 393.837 4.164 30 40 GIEB O=C(O)c1cc(/N=C\c2ccccc2I)ccc1Cl 408550768 JVGGWMXJXXATDH-IUXPMGMMSA-N 385.588 4.393 30 40 GIEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)O 409215800 AZJMPPVQRCYYPR-AWQFTUOYSA-N 392.249 4.289 30 40 GIEB COc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1OCc1ccccc1 3351359 MRUBNRVEMKVYBO-MFKUBSTISA-N 399.450 4.175 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 5800541 NJMZZWXAPVEWRF-SFHVURJKSA-N 394.814 4.419 30 40 GIEB O=C(Nc1cccnc1)/C(=N/Nc1ccccc1Cl)C(=O)c1ccccc1 6820554 ZZPRPRQGIHTSNS-XIEYBQDHSA-N 378.819 4.025 30 40 GIEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)cc1 8654646 GZNGUXABUVLILP-UHFFFAOYSA-N 379.416 4.384 30 40 GIEB O=C1/C(=C/c2ccccc2F)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419808 CWUDBHAAPVDJJD-NDENLUEZSA-N 396.395 4.210 30 40 GIEB C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2n1CCC#N)c1ccc(F)cc1 12520524 YXZZKHVZTVGKDP-LSDHHAIUSA-N 396.491 4.447 30 40 GIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1ccccc1 13778568 XXMDQLUOPQMYTK-UHFFFAOYSA-O 387.290 4.334 30 40 GIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C)ccc3C)N(C)C2=O)cc1 17206648 SCGJZXFYYVQYHS-MLSMKVKPSA-N 381.501 4.202 30 40 GIEB C=CCN1CCN(C(=O)CCC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19501441 LMXBZDUTIZFICF-QFIPXVFZSA-N 390.527 4.169 30 40 GIEB C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 33371462 XXUNRUDGXWNTFM-AKGMTCMXSA-N 375.856 4.333 30 40 GIEB CC(=O)c1nnn(-c2cc(C#N)c(C#N)cc2/C=C/c2ccc(Cl)cc2)c1C 78549758 JVCBZTSARUMPLU-ZZXKWVIFSA-N 387.830 4.345 30 40 GIEB C=CCOc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 408748888 COPYOARTSYHVSQ-QRVIBDJDSA-N 391.431 4.408 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 8367111 SSTPWHODQIAOTD-NRFANRHFSA-N 381.479 4.230 30 40 GIEB CCO/C(=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)SC 100527773 NNWBDKTWMKFRML-HNWCFWMQSA-N 396.921 4.231 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)ccc1OCC#N 9973329 AHMNPPRAXVWUGZ-UNOMPAQXSA-N 393.468 4.106 30 40 GIEB C=CCN(C(=O)c1cncc(Br)c1)c1nc2c(s1)CCCC2 23653631 LQSTZTOQLNKMPN-UHFFFAOYSA-N 378.295 4.012 30 40 GIEB O=C(CCc1ncc(-c2ccccc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 12742251 RUGZLIOIVRZEGR-UHFFFAOYSA-N 398.384 4.461 30 40 GIEB CN(CCC#N)C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 3438442 USAQMKUZNPGIRY-UHFFFAOYSA-N 388.543 4.331 30 40 GIEB C=CCn1c(C)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 8111236 BYGCRLCUHIOIOH-UHFFFAOYSA-N 385.562 4.355 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8103632 UYNOWKMARHAOJT-RDJZCZTQSA-N 391.496 4.341 30 40 GIEB CC[C@H]1/C(=N/O)C2=C(CC(C)(C)CC2=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 4073772 YCUGTVORTDTIRL-PTOGNTOGSA-N 398.503 4.116 30 40 GIEB biogenic Cc1cc(C)nc(N/C(N)=N/c2ccc(Cl)cc2C(=O)c2ccccc2)n1 19706755 FFXLGARMKIZXIB-UHFFFAOYSA-N 379.851 4.036 30 40 GIEB C=CCSc1nnc(NC(=O)CCc2ccc(OCC)c(OCC)c2)s1 222819889 IFCCFUCIBXLTCR-UHFFFAOYSA-N 393.534 4.185 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 257348531 GRLKBPPYPIEWDD-XNDWCRNRSA-N 384.516 4.431 30 40 GIEB C=CCc1ccccc1OCc1cc(=O)n2nc(-c3cccs3)sc2n1 13367612 ATRKOJSRNNWKQC-UHFFFAOYSA-N 381.482 4.187 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC(F)F 14181373 GVTAGZNAUFSYLA-GORDUTHDSA-N 394.761 4.016 30 40 GIEB C=CCN(c1ccc(C(=O)Nc2ccccc2SCC)cc1)S(C)(=O)=O 19933015 CNODCLYCZCRBAP-UHFFFAOYSA-N 390.530 4.003 30 40 GIEB CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccccn1 6378129 BWNKNBFWHGMRNS-GSICKLFPSA-N 393.335 4.238 30 40 GIEB CCc1ccc(/C=N/Nc2nnc(C)c(N/N=C/c3ccc(CC)cc3)n2)cc1 27988836 ZZSMYXQDTXMYSX-OZEVPFDHSA-N 387.491 4.197 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 1457734 CRORJUNPHABFRF-OAQYLSRUSA-N 396.506 4.442 30 40 GIEB COc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1OC 3197385 ORLONGCAALHLRI-KEBDBYFISA-N 388.880 4.015 30 40 GIEB Cc1cc(SCC(=O)NCc2cccs2)n2c(nc3ccccc32)c1C#N 4269578 UAIMUQIMZRBFDI-UHFFFAOYSA-N 392.509 4.138 30 40 GIEB O=C1CS/C(=N\N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)N1 4558111 FHPOJRJDUCEYPJ-ZBKNUEDVSA-N 394.283 4.125 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 4902112 UOAYPLOLOJPBLJ-FDJFIASXSA-N 381.501 4.248 30 40 GIEB N#Cc1c(SCc2cccc(C(F)(F)F)c2)sc2c(O)cc(=O)[nH]c12 4945401 GAQRPQIFHKIHKF-UHFFFAOYSA-N 382.388 4.478 30 40 GIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4996918 FGXGZBCTNSUZJU-VFOOBRQFSA-N 387.892 4.320 30 40 GIEB N#C[C@H](NCCc1ccccc1)c1ccc([C@H](C#N)NCCc2ccccc2)cc1 31870867 DNHPLIAHQDAIEX-UIOOFZCWSA-N 394.522 4.481 30 40 GIEB Cc1nn(C)c2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc12 32907006 ZDZOSEACHMQNMU-UHFFFAOYSA-N 393.497 4.115 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1OC 100414686 YKTRXNDOVJDMTN-UNMCSNQZSA-N 387.435 4.110 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225060037 BXALFIXOQMZMMR-UHFFFAOYSA-N 398.440 4.138 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409070427 XJVIOYZPVOALRA-XDHOZWIPSA-N 376.437 4.360 30 40 GIEB CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 51366998 SHIASKFIZDLYCS-UAQCVPFCSA-N 385.489 4.313 30 40 GIEB Cc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4945119 ITJBKYRJVLKYES-ASSNKEHSSA-N 385.427 4.077 30 40 GIEB O=C(c1ccccc1)c1cn(/N=C/c2ccccc2)c(=O)nc1-c1ccccc1 6514376 OURIQXLTVSJUJT-PCLIKHOPSA-N 379.419 4.024 30 40 GIEB C=CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)S/C1=N\c1nccs1 54361089 YHOLQVJOCIVDAI-LCUCDLPVSA-N 381.482 4.252 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 3098458 QKUCYFKBYMRTCK-FQEVSTJZSA-N 396.443 4.049 30 40 GIEB COc1ccc(C2=NC[C@@H](CSc3nc(C)c(C(C)=O)cc3C#N)S2)cc1 26043923 VGZLYFHJUBOPIR-KRWDZBQOSA-N 397.525 4.127 30 40 GIEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CC[C@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027261 ZKHQMBPYBVPJKV-UIMYHHKPSA-N 385.548 4.158 30 40 GIEB biogenic Cc1nn(C(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2 65530476 YVDUGTBDCGFLMB-UHFFFAOYSA-N 378.448 4.278 30 40 GIEB COc1cccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)c1 408754515 VPHBMTBYNSQDFO-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB N#Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 4711126 PZZAFDCTPKVYKN-INIZCTEOSA-N 391.406 4.159 30 40 GIEB CC1(C)CC(=O)C(=C2N(Cc3ccccc3)CCN2Cc2ccccc2)C(=O)C1 9287987 QVCMQQBUPCOKJV-UHFFFAOYSA-N 388.511 4.174 30 40 GIEB C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 553976112 DGJPCHBVJFVFFP-QGZVFWFLSA-N 375.472 4.087 30 40 GIEB N#C[C@@H](NC(=O)c1c(F)cccc1-n1cccn1)c1cccc(C(F)(F)F)c1 1537848908 KUNUARLXFPKTHT-OAHLLOKOSA-N 388.324 4.025 30 40 GIEB CC(C)(O)C#Cc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1 19080871 FIAHFWFDNHLBCX-LJQANCHMSA-N 382.554 4.401 30 40 GIEB COc1ccc(/C=N/Nc2ncc(-c3cc4ccccc4oc3=O)s2)cc1 5414780 PEKYSGGBXFCNTC-SSDVNMTOSA-N 377.425 4.371 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(C)cc1 4919709 VLLQKPYFNZJKMZ-WMZHIEFXSA-N 394.467 4.332 30 40 GIEB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(OC)c1 4944950 YIWCFPWXNKWECO-SFHVURJKSA-N 395.430 4.371 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cn1 6524099 BDYWLFLGYFNMAY-BKLSSTQNSA-N 376.504 4.457 30 40 GIEB Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1 32854455 LSNDHZSRPQFVMV-UHFFFAOYSA-N 390.493 4.315 30 40 GIEB Cc1c(C(=O)[C@H](C#N)C(=O)NC2CCCC2)sc2nc(C(F)(F)F)ccc12 103608428 GFGGZIAONOSJIH-LBPRGKRZSA-N 395.406 4.005 30 40 GIEB CCCCCCNC(=O)C[C@H]1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O 105037494 SXUAKBHXRFEDLQ-BWORXHKJSA-N 395.956 4.296 30 40 GIEB CCOc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 3185210 LBQZTZWVZSZDBK-UHFFFAOYSA-N 375.492 4.451 30 40 GIEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCN(Cc2ccccc2)CC1 57334281 LBTYECJJBUTSQB-UHFFFAOYSA-N 378.863 4.189 30 40 GIEB C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1OC 218658493 OEMMAKCGTGCOIF-LJQANCHMSA-N 381.472 4.465 30 40 GIEB COc1ccccc1OCc1nc(SCc2ccc(C)cc2)nc(N)c1C#N 223691640 UGBCGYHICBDLHF-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB CCOc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 8325577 SXTXUNXPZDRYCS-MSYUKONTSA-N 382.441 4.017 30 40 GIEB C[C@H](CC(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1ccnc1 12088123 IMLJLJHAZWIQPV-LJQANCHMSA-N 386.499 4.253 30 40 GIEB Cc1ccc(CN(CCc2ccccc2)CC(=O)NC2(C#N)CCCC2)s1 29190555 PFXXTSQZRRGXOC-UHFFFAOYSA-N 381.545 4.054 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3cccs3)s2)cc1 7794851 QRINUWCCCFGKKC-BQYQJAHWSA-N 384.511 4.415 30 40 GIEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2C)o1 2792488 VLSPQHPADJQKQV-AWQFTUOYSA-N 378.404 4.300 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)c(C)c2)c(C#N)c1C 1965089 LHWPMSMLLIWWML-UHFFFAOYSA-N 392.864 4.084 30 40 GIEB CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1OC 408852734 VVPPGLYSLAVOEU-UNOMPAQXSA-N 398.484 4.303 30 40 GIEB N#Cc1c(/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)sc2c1CCCC2 409165043 RPNGTBATFBDEPN-ZVHZXABRSA-N 393.512 4.250 30 40 GIEB Cc1nnc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(C#N)c1C 24054516 CTFUARYEUOJBEG-UHFFFAOYSA-N 380.455 4.430 30 40 GIEB N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)cc2Cl)cc1 599724227 FGQOFOUBWHKMMW-BOUXLOLZSA-N 397.862 4.381 30 40 GIEB CCOc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 1531382641 DBCKSEUTXMCJFK-PCLIKHOPSA-N 399.450 4.353 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)s1 13496526 OCVPPRJMAXRWNW-GIDUJCDVSA-N 375.262 4.284 30 40 GIEB Cc1cccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)c1 3016558 FMLWXOCZDSCOQK-UHFFFAOYSA-N 387.280 4.388 30 40 GIEB CC(=O)O[C@H]1CC[C@@H]2[C@H]3[C@@H](CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@]12O[C@]32C 6614735 WWRTWBNTOJMLIU-BBXIDSFQSA-N 390.520 4.024 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1Cl)C(C#N)C#N 101497120 XBNBQHZZJCMRHC-VQTJNVASSA-N 376.847 4.121 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OC)c1OC 947874 PHCUCMCGISDEIZ-UHFFFAOYSA-N 386.473 4.167 30 40 GIEB CN(C)c1ccc(/C=[N+](\[O-])[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 2266349 ZTENRBUOFCPZTN-GFHXCNCHSA-N 385.558 4.325 30 40 GIEB CN(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 3427246 OFTFZMFUWBMJOK-UHFFFAOYSA-N 395.513 4.020 30 40 GIEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccc4c(c3)OCO4)C(=O)N2CC)cc1 409144518 KLPZBSJKAYJYLD-XJUMHSELSA-N 398.484 4.008 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1 408588740 JLPZKQISPKCVJQ-YDZHTSKRSA-N 387.443 4.203 30 40 GIEB C=CCNC(=O)COc1cccc(-c2noc(-c3cccc4ccccc34)n2)c1 33327463 SWNFPLXBBJNMIS-UHFFFAOYSA-N 385.423 4.238 30 40 GIEB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccc(C#N)cn1 585113710 RESPANDVRYKVMM-LJQANCHMSA-N 389.377 4.089 30 40 GIEB C#CCOc1c(I)cc(/C=N/c2ccccc2)cc1OC 8110676 AVFNUGQPTXTKTB-XDHOZWIPSA-N 391.208 4.062 30 40 GIEB CC(C)(C)[C@H](COc1ccccc1)/N=C1\NC(=S)N(CC#N)C12CCCCC2 5831434 YAWSLUMWOXCJLO-SFHVURJKSA-N 398.576 4.295 30 40 GIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 12391562 MSIMCMOGZNEWQP-VOJFVSQTSA-N 394.456 4.119 30 40 GIEB C=CCn1c(COc2ccccc2F)nnc1SCc1cnc(C)s1 40157821 GMTMVELSQBIKCA-UHFFFAOYSA-N 376.482 4.239 30 40 GIEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6708962 FSQWJFKPBKRQPI-LBPRGKRZSA-N 383.542 4.434 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 11915372 CMMXMFBCNFKURD-HXUWFJFHSA-N 379.456 4.238 30 40 GIEB C/N=C1\S/C(=C\c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1C 27531986 RKTUNLJJVFZVQB-ABTZFFQLSA-N 377.809 4.040 30 40 GIEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NC[C@@H]1CCCO1 2198879 LFUOPNUUPCRRTL-IBGZPJMESA-N 375.428 4.383 30 40 GIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OC 36360435 HJFPSYJEBFSIAP-QGZVFWFLSA-N 391.402 4.156 30 40 GIEB CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265793 NWZUJJLXPGTQFU-SFHVURJKSA-N 394.452 4.390 30 40 GIEB COc1ccc(-n2c(SCCCC#N)nc3ccccc3c2=O)cc1Cl 4513701 SJLMDXCLKHTUOV-UHFFFAOYSA-N 385.876 4.444 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccc2ccccc12 5714709 YUUNULLOTIUIEZ-UHFFFAOYSA-N 378.815 4.089 30 40 GIEB CC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 4917646 CAZWJBCKZDPIDW-HNNXBMFYSA-N 382.485 4.027 30 40 GIEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5997311 DNJCEZRNWFDYIY-BKUYFWCQSA-N 392.432 4.308 30 40 GIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Cl)OCO3 35311844 JSVXIJYTYLYVNJ-UHFFFAOYSA-N 397.843 4.219 30 40 GIEB Cc1cccc2c(=NC[C@H]3CCCN(Cc4cccs4)C3)c(C#N)c[nH]c12 610274813 HDUWPXCGTDYCFF-QGZVFWFLSA-N 376.529 4.222 30 40 GIEB COc1ccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 1187423 ZZZWXEWYBJLFIS-NMWDDECMSA-N 387.439 4.304 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 626384 IVZCZPYIWWMUIZ-FQEVSTJZSA-N 394.858 4.348 30 40 GIEB biogenic,in-vitro COc1ccc(CNC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 915353 VYQQDRDYFVWFOK-UHFFFAOYSA-N 391.496 4.140 30 40 GIEB Cc1ccc(C)c2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc12 1354291 YIQPJEDUBDMZRD-UHFFFAOYSA-N 387.508 4.400 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccccn1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 7496232 NMHMDHSEQNLVHD-JLTOFOAXSA-N 391.862 4.051 30 40 GIEB CCCOc1c(Br)cc(/C=N/Nc2nc(C)cc(C)n2)cc1OC 7891211 CCWUWGSVBVPSBZ-VXLYETTFSA-N 393.285 4.099 30 40 GIEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 12406408 YTYSUUPFMNVOLC-AJXNSUIMSA-N 392.455 4.220 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=N)N(c3nccs3)C2=O)cc1OCC 12411564 KSHRIDQQVWXTAS-MAUHWUFLSA-N 387.486 4.162 30 40 GIEB COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 20158991 NWMVMDIQZUJLCU-CYBMUJFWSA-N 384.501 4.333 30 40 GIEB Cc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc34)CC2)cc1 64473861 LBTRDQRITXYIDV-UHFFFAOYSA-N 398.510 4.256 30 40 GIEB N#CC1(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCCCC1 71954665 CZCSXFHYZZSLOG-UHFFFAOYSA-N 380.319 4.300 30 40 GIEB CCN/C(=N\c1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 95108931 WMGUSHNSEOUPDV-MRXNPFEDSA-N 387.892 4.002 30 40 GIEB CCCCCCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 101113280 QUBJBKXGOAZQON-UHFFFAOYSA-N 389.945 4.100 30 40 GIEB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@@H](c2ccccc2)N1Cc1ccccc1 103155668 BENXTHNEKOGMPK-OAQYLSRUSA-N 380.451 4.016 30 40 GIEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@](C)(CC)C3 1777181 RBTHLMWTIAPHGS-JOCHJYFZSA-N 393.512 4.300 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc(Br)cc2F)cc1Cl 3174216 JFNJSQXHMMDNQP-UHFFFAOYSA-N 383.604 4.131 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1 3250862 MFCARFLIIUGBMY-UHFFFAOYSA-N 392.484 4.065 30 40 GIEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 4275238 DTLSGWGBJDLUAA-UHFFFAOYSA-N 394.283 4.083 30 40 GIEB CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(N)OC2=C1C(=O)CCC2 4655597 WIUGTCUKXJBYKW-IBGZPJMESA-N 399.487 4.108 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc(OC)c1OC 5175268 MRCXESQHSDPAHK-LLVKDONJSA-N 386.473 4.023 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 5812724 CMLYWTRLTXDVHK-NRFANRHFSA-N 384.435 4.169 30 40 GIEB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 6637455 KFQIOUIQYSSRGM-OAQYLSRUSA-N 386.407 4.104 30 40 GIEB CN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/c1ccc(Br)cc1 8091959 SJVGLCHLDDIPJR-QFPXGYFVSA-N 375.291 4.253 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@@H](/C=C/c4ccccc4)CC3=O)Nc3ncnn32)cc1 9190064 KDQRDNBPQAAPFX-SBAIUZLTSA-N 398.466 4.248 30 40 GIEB C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1cccs1 13756888 BSGHJOVXRULGGJ-JJFYIABZSA-N 383.502 4.220 30 40 GIEB O=[N+]([O-])c1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682277 YDZTVMFLSZTBCN-UQQQWYQISA-N 398.466 4.316 30 40 GIEB COc1cccc2c1ccn2CC/C(O)=N/c1nc(Cc2ccc(F)cc2)n[nH]1 95476474 KJFQCILUMVXWPL-UHFFFAOYSA-N 393.422 4.176 30 40 GIEB C=CCNc1nnc(S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)s1 97101202 BYOQPTZQXCURSI-UHFFFAOYSA-N 379.551 4.024 30 40 GIEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 219808703 JOEICKPVXXWDKB-INIZCTEOSA-N 396.512 4.126 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)N1CCc2ccccc2C1 408729437 FJJROHLZCHTPHT-KGENOOAVSA-N 382.510 4.246 30 40 GIEB COc1c(Cl)cc(Cl)cc1/C=N/n1c(S)nnc1-c1ccccc1 409061045 ZSQSGLBMSBIWNN-DJKKODMXSA-N 379.272 4.431 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)cc1 4835659 KQYCXRKQCOXDTH-UHFFFAOYSA-N 381.486 4.193 30 40 GIEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1C1CCCCC1 6587486 YNCDJDRBSFYIMW-UHFFFAOYSA-N 395.532 4.120 30 40 GIEB N#Cc1ccc(CSCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 6850441 FJFNUZGWBHLOOE-UHFFFAOYSA-N 380.494 4.154 30 40 GIEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1Cl 19928265 YYVDGLCJEILFMY-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB COc1cccc(C(=O)/C=C2\C(=O)N(c3ccccc3)C(=N)N2c2ccccc2)c1 22078512 FNOPUHVSVBLJKN-CHLWQFSPSA-N 397.434 4.250 30 40 GIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1cccc(OC)c1OC 24550369 KGOFLUCMNPFNLZ-UHFFFAOYSA-N 389.835 4.166 30 40 GIEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 28629523 VQBKNFJOAVJQLI-KRWDZBQOSA-N 376.437 4.234 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1Br 32789132 QPHSVOCEEFNTLB-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225327076 LUPDVWOAOJOLQM-UHFFFAOYSA-N 377.271 4.481 30 40 GIEB COc1cc(C#N)ccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 547415960 JTYRVYSARAUNTL-HNNXBMFYSA-N 385.292 4.270 30 40 GIEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2cccc(Cl)c2)c1C#N 872006 KOQJRFPQJLBJTI-UHFFFAOYSA-N 387.892 4.460 30 40 GIEB C=CCn1c(C)nnc1SCc1nc2ccccc2c(C)c1C(=O)OCC 6910221 GLLMDDQOOQPATG-UHFFFAOYSA-N 382.489 4.098 30 40 GIEB CC[C@H]1CCc2sc(C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)cc2C1 7779920 ZTANFLFFKPNQJN-GXTWGEPZSA-N 388.514 4.061 30 40 GIEB N/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 12655366 SFQZIEQANGDPIA-UHFFFAOYSA-N 388.048 4.233 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(F)cc1 2200740 PWGROMGOZQSOGX-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2cccc(OC)c2)c(O)c1 2344367 YIRUNSQAUUIPDK-UHFFFAOYSA-N 393.443 4.496 30 40 GIEB CC(C)Cc1nnc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)s1 13691214 CWBDFOJJCIEHDG-MZMJQAIGSA-N 397.529 4.452 30 40 GIEB Cc1ccc(CC(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1C 32957518 FNIXKRIBBWNSLW-HMAPJEAMSA-N 377.484 4.270 30 40 GIEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 4703300 XSRPZHWJMBJAIV-DEDYPNTBSA-N 399.450 4.111 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc(OC)c1OC 83921311 INIXDEZQJFJJMJ-RTWAWAEBSA-N 395.499 4.161 30 40 GIEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 19898847 SLQAPVCSISBIHV-HSZRJFAPSA-N 387.479 4.440 30 40 GIEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 219818726 VQHARJDLDIVCHP-SFHVURJKSA-N 389.542 4.249 30 40 GIEB O=C(O)c1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12466004 QOIYEQPBXLIFLD-ONUIUJJFSA-N 397.478 4.106 30 40 GIEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cc(Br)ccc1O 16428155 NIKAOXZMTRSVLN-ZSOIEALJSA-N 393.237 4.185 30 40 GIEB Cc1ccccc1OC1CCN(C/C(O)=N/c2nnc(C(C)(C)C)s2)CC1 19664358 KMSIHGAOAACDAJ-UHFFFAOYSA-N 388.537 4.275 30 40 GIEB C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 27024074 JHIWAYHHCXBMLH-YDZHTSKRSA-N 395.919 4.177 30 40 GIEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c1C#N 2465593 XEEIXASCERFFCA-UHFFFAOYSA-N 381.413 4.127 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccccc1 4285615 BYTRSWVDIQYHRD-UHFFFAOYSA-N 392.484 4.065 30 40 GIEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C(C)C)cc1 5862709 LXJQOAZTDGRTKC-INIZCTEOSA-N 381.501 4.180 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1ccc(F)cc1 6382911 LGBNBYXWJIQLFJ-QGZVFWFLSA-N 383.400 4.259 30 40 GIEB CCNC(=S)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 6655066 SBUHJWRIZPUWKV-ZMOGYAJESA-N 381.476 4.376 30 40 GIEB COc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1Br 6736683 VCCKIOZUNQWODZ-REZTVBANSA-N 385.601 4.476 30 40 GIEB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N 7171807 ZINXCFDQMUATMH-LBPRGKRZSA-N 395.513 4.197 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3cccs3)c2)c1 12777105 YVMVWSYGOQVHRY-UHFFFAOYSA-N 375.449 4.116 30 40 GIEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cccc(Br)c1 13305352 IOOUUTSXFGEANY-FCDQGJHFSA-N 392.256 4.334 30 40 GIEB C/N=C1\Sc2nc3cc4c(cc3cc2CN1CCc1ccccc1)OCO4 13511174 GQDLCXZXKWWNHE-DQRAZIAOSA-N 377.469 4.100 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 15609201 LDPOTWVKKKYPKJ-UHFFFAOYSA-N 393.668 4.271 30 40 GIEB N#Cc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccccc34)SC2=S)cc1 77024421 DGUJHESWCOFPJQ-GIJQJNRQSA-N 389.461 4.171 30 40 GIEB C=CCCC[C@](C)(C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21 95611358 LISRMFGFPARVTL-HSZRJFAPSA-N 379.456 4.389 30 40 GIEB CCCCCCCCCCCCNC(=O)CSc1ncnc2nc[nH]c12 97971314 NBXOFQAAQAOFGN-UHFFFAOYSA-N 377.558 4.482 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 103087457 DRWSTFAXQYVFTO-WOOAAIBNSA-N 383.419 4.056 30 40 GIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224645499 VQFBXCVCJHXYHX-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408813108 OCPMGKXPHMAHLH-BOPFTXTBSA-N 383.860 4.442 30 40 GIEB CC/N=C1/S/C(=C/c2cc(OCC)c(OCC)cc2Cl)C(=O)N1CC 408931568 NFAOOUMQNMBHOL-WOLOTKMDSA-N 382.913 4.450 30 40 GIEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccccc1Cl 409359193 WODVHSCZFAMTAY-UHFFFAOYSA-N 392.846 4.045 30 40 GIEB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2cccc(C(F)(F)F)c2)c1Cl 3041193 FDBAVVCBTMYEBF-GEVRCRHISA-N 399.678 4.302 30 40 GIEB N#CC1(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)CCCCC1 6657477 IPPNDPKUGPWKCE-UHFFFAOYSA-N 390.512 4.460 30 40 GIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC(F)F)c(OC)c1 7699294 VBSNCXWNNYNAQW-FNORWQNLSA-N 394.370 4.219 30 40 GIEB C=CCN1C(=O)COc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 12167730 FVPCJMHHVHXXRH-UHFFFAOYSA-N 398.462 4.369 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OC[C@H]2CCCO2)cc1 12538894 GHYAILRZPMTLJD-XMMPIXPASA-N 398.462 4.292 30 40 GIEB Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)n1 28233984 CEZDQDRVUYSHQT-UHFFFAOYSA-N 380.473 4.206 30 40 GIEB N#Cc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1OCC(F)(F)F 58560242 BINMHFBRYRFVNP-MRXNPFEDSA-N 375.350 4.308 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(CC(C)C)C1 72391185 PDGYPJXKFPTDPU-VWLOTQADSA-N 391.559 4.332 30 40 GIEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 224736817 HKLCXKYNEUOKOJ-UHFFFAOYSA-N 388.233 4.109 30 40 GIEB COc1ccc2c(c1)SC/C(=N/N=C1/CSc3cc(OC)ccc3N1)N2 688099 GCTYUAQVENROHB-UHFFFAOYSA-N 386.502 4.151 30 40 GIEB COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(OC(F)F)c(OC)c1 3319800 MTDSLIDLFZVXID-LSHDLFTRSA-N 379.359 4.059 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1 3408156 SNPHVCKCRTUMKJ-UHFFFAOYSA-N 395.484 4.123 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)ccc1OC 4920151 ZJAXURBEKXUMHH-OFNKIYASSA-N 394.467 4.332 30 40 GIEB COC(=O)c1cccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)c1C 8334674 HSSIKWYFACBYTR-ZVHZXABRSA-N 389.455 4.334 30 40 GIEB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)[nH]n2)c1 8845816 RYKWBJBFKXHQSZ-UHFFFAOYSA-N 392.484 4.463 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611470 SNTGCXLFSYURQW-UFWORHAWSA-N 397.287 4.490 30 40 GIEB CC(C)[C@@H](C)N1Cc2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 108081024 GXGVWCWQSUDXJM-HXOBKFHXSA-N 388.515 4.136 30 40 GIEB N#Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 217643665 ZLSZJBYNZUNMPB-QGZVFWFLSA-N 378.375 4.345 30 40 GIEB CCOc1cc(Br)c(/C=N/OCc2ccccc2C#N)cc1OC 408590155 GIQSZJIYDBFDEA-SRZZPIQSSA-N 389.249 4.279 30 40 GIEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408843832 AHHNRSWHDZNMEJ-UHFFFAOYSA-N 376.206 4.477 30 40 GIEB COc1cc(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 409108242 SRYUXPMEAMOBLU-IFRROFPPSA-N 389.717 4.427 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C)cc1 2452090 KIJUQKAIZZPDSU-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#Cc1ccc(NC(=O)c2cccc(I)c2)cc1Cl 4506316 GMWKBQXZWYXIHY-UHFFFAOYSA-N 382.588 4.069 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\Oc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 5353504 LHUCNCYAUXHOJD-VZCXRCSSSA-N 378.344 4.356 30 40 GIEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/Nc1cccc([N+](=O)[O-])c1 7949860 STOBIVYHWFADFK-UFFVCSGVSA-N 387.802 4.387 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)NCCCn1cnc2ccccc21 9322831 LMHOXTLAPQRIEC-UHFFFAOYSA-N 380.451 4.395 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12784630 ITLQPAWLLQVTEK-LHSJRXKWSA-N 394.500 4.425 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C 22611855 FCKIBCKRQPKTMY-HXUWFJFHSA-N 383.488 4.251 30 40 GIEB N#CCOc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 23150947 LTTSWNMIBATEFG-UHFFFAOYSA-N 388.423 4.185 30 40 GIEB N#Cc1cccnc1Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 32779551 FHOOHRRNYLMTRN-UHFFFAOYSA-N 375.344 4.298 30 40 GIEB CCNC(=S)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 33716525 ZOKTUTLRKQYBKO-QGMBQPNBSA-N 386.702 4.180 30 40 GIEB CCSc1nncn1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611473 KWVQNMQVJVKZQO-DNTJNYDQSA-N 380.832 4.237 30 40 GIEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H]1CCCC[C@@H]1C(F)(F)F 102832496 JSOZRCAMBDMBHB-JGVFFNPUSA-N 375.259 4.162 30 40 GIEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623820 VJSAKFIQBCWJMC-UHFFFAOYSA-N 399.299 4.283 30 40 GIEB C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@]21C 245204494 CHZJRGNDJLJLAW-AFRKUKOGSA-N 380.528 4.199 30 40 GIEB N#Cc1c(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)sc2c1CCCC2 408738700 VIOFOMAVBANSAB-QGZVFWFLSA-N 395.484 4.100 30 40 GIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/c2ccc3c(c2)OCO3)c1C 408914410 PSYIRGKXMOAUTH-FSJBWODESA-N 376.412 4.360 30 40 GIEB CC(=O)Oc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242907 BVAWKZANHTWDBC-UHFFFAOYSA-N 382.178 4.263 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)cc1 1440262 OFMKWEQNGGUDMK-RFVSGWPVSA-N 376.456 4.226 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C)ccc1C 2331340 MBIWPSDEEGOWON-UHFFFAOYSA-N 398.557 4.464 30 40 GIEB O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(Br)cc1 4113458 FEJNIVYMMLVZSV-UHFFFAOYSA-N 380.039 4.285 30 40 GIEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OC 4679364 UQNUSMYGPHKWDK-KIOXBDSISA-N 380.469 4.494 30 40 GIEB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1cccc(C#N)c1 5212747 RTAMZDFVCZSNEZ-LLVKDONJSA-N 380.498 4.171 30 40 GIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccco2)sc1C 5544662 IRTIIKODPOOIEY-MRXNPFEDSA-N 380.425 4.136 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)c(OC)c1 7717954 WXDUEGVPZASDQM-ZZXKWVIFSA-N 391.217 4.091 30 40 GIEB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Oc2ccc(C#N)cc2)cs1 7780278 YAVPGOOQPMYMGA-FMIVXFBMSA-N 389.436 4.318 30 40 GIEB C=CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC 100228895 DJWWMPPZZMFKJJ-LFVJCYFKSA-N 391.471 4.199 30 40 GIEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1C(F)(F)F 225894645 ROVCVFPBHHDYAZ-UHFFFAOYSA-N 389.200 4.004 30 40 GIEB COc1ccc(Cl)cc1/N=C/c1ccc(O)c(I)c1 408966293 ZIMGWCFMRBDZDX-CAOOACKPSA-N 387.604 4.409 30 40 GIEB CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 4450367 GBJWABJKOOVKKW-VJBWXMMDSA-N 383.451 4.076 30 40 GIEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCCCC1 12554347 JOSWMKPOULRTQU-GOSISDBHSA-N 376.504 4.008 30 40 GIEB C=CCn1c(NC(=O)CC)c(C(=O)OCCCCC)c2nc3ccccc3nc21 2279920 ZPGJLRMBDQSHRY-UHFFFAOYSA-N 394.475 4.466 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409335101 XNKVLSAAPYERJA-WOJGMQOQSA-N 399.468 4.252 30 40 GIEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 20934926 VHROTXIJIIMHNJ-BSNPHMGVSA-N 380.231 4.308 30 40 GIEB O=[N+]([O-])c1ccc2c(/C=N/c3ccc(N4CCOCC4)cc3)c(O)ccc2c1 409075703 ZDVMRFBMTDCSHV-HYARGMPZSA-N 377.400 4.041 30 40 GIEB Cc1ccc(/C(=N\C(Cl)=C(Cl)Cl)n2nc(C(F)(F)F)nc2N)cc1 41097486 ZXHIJOCKMGJZHY-UFFVCSGVSA-N 398.603 4.325 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(N2CCCCC2)cc1 5009239 GBKJBZUMOUKSSZ-UHFFFAOYSA-N 390.512 4.003 30 40 GIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1085836 OVXZFXOPYORVNX-SFHVURJKSA-N 394.427 4.418 30 40 GIEB N#Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nc3cc4c(cc32)OCCO4)cc1 40153139 HTXXJOZUVPGXGM-UHFFFAOYSA-N 392.418 4.266 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1Cl 6855423 QSAHOPCECMEAFI-HXUWFJFHSA-N 394.858 4.348 30 40 GIEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 7601881 BOJYHCMZMXFGLU-UHFFFAOYSA-N 399.882 4.102 30 40 GIEB COc1ccc(O)c(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 104099738 HOZUZQCGQCUPSG-HYARGMPZSA-N 396.468 4.261 30 40 GIEB CC(=O)c1cc(C#N)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc1C 1022847 SWGXATREFSRKMM-UHFFFAOYSA-N 393.390 4.214 30 40 GIEB CC(Cl)(Cl)C(=O)OC1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)CCC1 3188860 RURSLNXJDOJGRG-UHFFFAOYSA-N 390.244 4.389 30 40 GIEB Cc1ccccc1N/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 4677287 FEIJZMBSLCOAFZ-FLFQWRMESA-N 399.410 4.122 30 40 GIEB CCCCCCc1ccc(OCCOc2cccc(/C=N/NC(N)=S)c2)cc1 4671968 UCCRLDZWCULQAM-JJIBRWJFSA-N 399.560 4.434 30 40 GIEB C=CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409083644 TZMNRJWWVNIHSH-RGEXLXHISA-N 375.424 4.333 30 40 GIEB Cc1ccoc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531139167 RPUJBEWJYNFXKK-JMIUGGIZSA-N 388.265 4.240 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 5981159 AVFAIASBFRMDES-UHFFFAOYSA-N 382.725 4.026 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1ccccc1 13161714 RYOXLLJXJMBXPW-IBGZPJMESA-N 377.371 4.197 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)cc1 7343363 KOICVJXLLOKLNZ-OEAKJJBVSA-N 388.427 4.456 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1 1223599 IUIPRRDSHPWYSF-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc2c(c1)OCO2 4009963 UKBCAPHDNOLMDY-FQEVSTJZSA-N 399.446 4.353 30 40 GIEB COc1ccc(N2C(=O)C[C@@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 4184197 SHUNOKFAJRJHFC-XMMPIXPASA-N 384.435 4.430 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C)cc2)C2=C(C[C@H](C)CC2=O)N1 4944097 CIKSFOZLSBNQIW-OYHNWAKOSA-N 387.483 4.243 30 40 GIEB Cc1onc(-c2ccccc2)c1C(=O)N1CCS/C1=N\Cc1ccccc1 5866741 OWHZFKBSTKRPQH-DQRAZIAOSA-N 377.469 4.395 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 6478865 OUOLHMOHOHUIPL-UHFFFAOYSA-N 378.501 4.094 30 40 GIEB COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 6672340 RZJIISFWBGGBSA-NDENLUEZSA-N 387.391 4.234 30 40 GIEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCCC)s2)n1 6748094 PSCRBARYMZQKLB-UHFFFAOYSA-N 387.943 4.014 30 40 GIEB N#CC1(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CCCC1 84368175 VFULLZUIGWWNSG-UHFFFAOYSA-N 380.835 4.352 30 40 GIEB COc1ccc(/C=C2/SC(N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)=NC2=O)cc1 103350717 HFZAWWOBQBBLGO-AIGFLKPDSA-N 383.517 4.457 30 40 GIEB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 169938575 KLULUAMPCWOOMD-OAQYLSRUSA-N 396.512 4.046 30 40 GIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224779247 DZJMBWWJUVBTGP-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB O=C1/C(=N\c2cccc(Br)c2)c2ccccc2N1CN1CCCCC1 226762117 PHXMXPQKLKABMU-QOCHGBHMSA-N 398.304 4.360 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409098956 ROJPBFAPKFNJGU-LDADJPATSA-N 395.436 4.186 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409127902 QYJWZOUENFFBBX-CXUHLZMHSA-N 390.270 4.480 30 40 GIEB Cc1cccnc1CN1CCCC[C@@H]1c1csc(=Nc2ccc(C#N)nc2)[nH]1 585293409 GZFAKCWORZFONR-HXUWFJFHSA-N 390.516 4.006 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4OC)[C@H]3C[C@@H]12 4043549 LYFSZLNQEISTTA-CXXHRNMOSA-N 383.532 4.142 30 40 GIEB biogenic CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 4331410 PQSJYLBARRUNCE-OAHLLOKOSA-N 396.516 4.077 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 4682478 XEMZSKHGZAEFPQ-NKWDDMGQSA-N 399.491 4.423 30 40 GIEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(N2CCOCC2)cc1 5559372 ILESZHQYKCICNJ-JJIBRWJFSA-N 396.560 4.357 30 40 GIEB C#CCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(Cl)ccc21 6301646 NHFBQYMGBBWGNC-YVNTYLKSSA-N 397.843 4.038 30 40 GIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(OC)c1 6891534 QZVLBLUOAUDHDA-ZVHZXABRSA-N 393.512 4.245 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582585 SNYVIUCWLSPERQ-ZDUSSCGKSA-N 396.497 4.108 30 40 GIEB COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN2CCCC2)C1=O 20649841 WHEMBMPIXMTFNQ-XNRSFFRDSA-N 377.440 4.169 30 40 GIEB CCN(Cc1ccc(C#N)cc1F)Cn1nc(-c2ccc(OC)cc2)oc1=S 32935411 QDOKJMTYMVFSIH-UHFFFAOYSA-N 398.463 4.372 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611502 IZBSYSATEIYJAO-UFWORHAWSA-N 397.287 4.490 30 40 GIEB CCCC(=O)N1CCN(c2c(Cl)ccc3sc(NN=C(C)C)nc23)CC1 72230161 XQHPTLUIIWCTPK-UHFFFAOYSA-N 393.944 4.206 30 40 GIEB C=CCOc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225229943 VIWXICCZBPBAQF-UHFFFAOYSA-N 375.490 4.493 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(Cl)cc3)o2)cc1 408777321 YMKVMDOIAGNQMD-FSJBWODESA-N 395.846 4.247 30 40 GIEB CSc1nc(Oc2cc(C)cc(C(C)C)c2)cc(-n2ncc(C#N)c2N)n1 632486 PJLNOCGCJINMDF-UHFFFAOYSA-N 380.477 4.062 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(-c3cccnc3)nc1N2 6732399 ALYSGHLGDOWAEH-GOSISDBHSA-N 377.835 4.016 30 40 GIEB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 6952815 JELMSDAHUXORKJ-TWOQFEAHSA-N 377.400 4.332 30 40 GIEB COc1ccc(-n2c(SC[C@@H](C)C#N)nnc2-c2cccc(OC)c2)cc1 7988724 BAHOELMCLKEGHN-AWEZNQCLSA-N 380.473 4.203 30 40 GIEB Cc1ccc(NC(=O)[C@@H]2CC(O)=N/C(=N\c3ccc(Cl)cc3Cl)N2)cc1 9014009 SZFSIJQMWWGEKI-HNNXBMFYSA-N 391.258 4.246 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 16974067 INYSTSIHESUIHZ-XCLFUZPHSA-N 392.846 4.053 30 40 GIEB Cc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)c(C)c1 19791077 HUXDQFHSQFVBCO-HYARGMPZSA-N 386.337 4.218 30 40 GIEB CCCNc1c(N/C(O)=N/Cc2cccc(OC)c2)c(=O)oc2ccccc12 28048847 SSZSVOJYXPWUJE-UHFFFAOYSA-N 381.432 4.150 30 40 GIEB COc1ccccc1/C=C1/SC(=Nc2ccc([N+](=O)[O-])cc2Cl)NC1=O 408753384 OXUSMLSJHLMCRF-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB CCOC(=O)c1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1 408868503 PCATZZDYUCEXRW-PDGQHHTCSA-N 396.468 4.072 30 40 GIEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1 409103252 GCEVIEBKYYZMGM-OEAKJJBVSA-N 392.415 4.414 30 40 GIEB O=C1C(Cl)=C(OCc2ccccc2)C(=O)C(Cl)=C1OCc1ccccc1 1710606 BUSSAHQVVPUFRD-UHFFFAOYSA-N 389.234 4.473 30 40 GIEB N#Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2636284 XLYQZFFIQDFYBO-UHFFFAOYSA-N 382.725 4.026 30 40 GIEB C=C(C)COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 4383878 UDICJLCHXXVPOZ-WOJGMQOQSA-N 379.412 4.003 30 40 GIEB CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 5025754 SZWSCHASVIKEHC-FJIDUMEYSA-N 394.519 4.309 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 13003353 NIAYDHBRRJWJLR-FQEVSTJZSA-N 389.407 4.072 30 40 GIEB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1(C#N)CCCCC1 30007091 FYVZFPDTGDIKKU-SFHVURJKSA-N 377.488 4.409 30 40 GIEB CCCC(CCC)=N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(C)cc1 59475402 YXDRKDQYXFHKOZ-BSBNDGSWSA-N 375.494 4.230 30 40 GIEB N#Cc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(F)c1 63507943 DDYUHAYLZXFHDE-UHFFFAOYSA-N 384.764 4.091 30 40 GIEB COc1cccc(/C=C2\CN(CC3CC3)C/C(=C\c3cccc(OC)c3)C2=O)c1 96314573 JIIWCYKJWSVMRR-XHQRYOPUSA-N 389.495 4.466 30 40 GIEB C/C(CC(=O)Cc1ccccc1)=N\CC/N=C(\C)CC(=O)Cc1ccccc1 104364288 UXWJIULUAABLEN-FQHZWJPGSA-N 376.500 4.312 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2OC)c(C#N)c1C 2663560 OHKNJBXWYVOFSN-UHFFFAOYSA-N 390.486 4.088 30 40 GIEB O=C(/C=C/c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1cccs1 4116435 VKEYFMSDOKCVMT-VYENPZKTSA-N 394.540 4.446 30 40 GIEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5520030 SBOSPINXNRCJOL-SXGWCWSVSA-N 375.856 4.437 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)ccc1O 5551239 FGFINRQMHDVGNO-CHHVJCJISA-N 378.812 4.085 30 40 GIEB CCOC(=O)/C(=N\Nc1ccc(OC)cc1)Sc1cccc2cccnc12 16682067 KCWFSEWZIAUMOQ-FCDQGJHFSA-N 381.457 4.324 30 40 GIEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccc(Cl)c3)nc2c1 19569332 BBXNFALAMMUTEI-UHFFFAOYSA-N 378.863 4.219 30 40 GIEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O 19973805 PFGBOMKSATVFOM-UHFFFAOYSA-N 387.863 4.145 30 40 GIEB O=C(O)C(=O)/C(=C/c1cccc(Br)c1)c1ccc2ccccc2n1 32642021 OADHUVGMPNVSHA-RVDMUPIBSA-N 382.213 4.192 30 40 GIEB Cc1csc2nc(CNc3cccc(C#Cc4cccs4)c3)cc(=O)n12 40061457 GQWNWIYLPFKBLI-UHFFFAOYSA-N 377.494 4.138 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1 83319222 SINLCDYEELVFKF-ODLFYWEKSA-N 382.332 4.218 30 40 GIEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118933006 VUBSNEZHSXMUCR-IEFKQKJDSA-N 386.532 4.225 30 40 GIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225815358 BWVDMZGGQKZMLU-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 4024676 RKHFVNGOTJXVKF-JOCHJYFZSA-N 379.431 4.393 30 40 GIEB CSCCOC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 4524519 IQCSPWCHCSFPNY-LDADJPATSA-N 386.494 4.301 30 40 GIEB C#CCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OCC 4997990 QGRXBQZXTFDOFJ-GZTJUZNOSA-N 381.815 4.095 30 40 GIEB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCC#N 5130876 FMACZSJGOPAXTC-UHFFFAOYSA-N 395.484 4.222 30 40 GIEB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)/C(O)=N/Cc3ccncc3)c12 5243409 PUSULAHAPYFZQW-HNNXBMFYSA-N 380.444 4.373 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OCC 6439899 XKQNSZIMMVWSRG-REWPJTCUSA-N 394.467 4.413 30 40 GIEB N#Cc1c(Cn2cnc3scc(-c4ccccc4)c3c2=O)cn2ccccc12 14902524 RCSPWAMUFZISRJ-UHFFFAOYSA-N 382.448 4.298 30 40 GIEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)n2ncc(C#N)c2N1 96318469 BYHQWNAGYGZLBN-QGZVFWFLSA-N 395.875 4.397 30 40 GIEB O=S(=O)(/N=C(\c1ccccc1)N1CCCc2ccccc21)c1ccccc1 102944256 HIJCTJLASORNHU-GHVJWSGMSA-N 376.481 4.275 30 40 GIEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1cccc2ccccc12 408538183 YYQNADGTHNNWEE-QGZVFWFLSA-N 391.814 4.095 30 40 GIEB CCn1c(N/N=C/c2ccc(N(C)C)c(Br)c2)nc2ccccc21 408692049 CGXAPAPHCPLNEK-UDWIEESQSA-N 386.297 4.331 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 409088918 MIBBBBSGNAKTOU-GZTJUZNOSA-N 383.425 4.264 30 40 GIEB COc1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 1187425 ZZZWXEWYBJLFIS-VCOZGABYSA-N 387.439 4.304 30 40 GIEB CCCOc1c(Br)cc(C(=O)Nc2cccc(C#N)c2)cc1OC 2653096 CHXZQOVLSYEJPI-UHFFFAOYSA-N 389.249 4.370 30 40 GIEB COc1ccc([C@H]2[C@@H](C(=O)C3CC3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 3878647 NBVZVCGNWUPXLQ-VJBWXMMDSA-N 395.462 4.076 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)o2)c1 5021071 ZFLADMQXSGNECY-UHFFFAOYSA-N 392.484 4.392 30 40 GIEB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 6085537 SDHXUVGZMWCBEO-UHFFFAOYSA-N 392.455 4.001 30 40 GIEB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1C 7575922 PSQUQTFRWLEGOD-RUZDIDTESA-N 395.462 4.171 30 40 GIEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 9110873 UKVGNLXOXJGHQC-OAQYLSRUSA-N 385.419 4.478 30 40 GIEB Cc1ccc(-c2nnc([C@@H](C)N3CCCN(c4ccccc4C#N)CC3)o2)cc1 58196314 ZCWBMZOWAVLUKT-GOSISDBHSA-N 387.487 4.190 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3C)c(OC)c1OC 95117721 YIJNTIMMHJGOEY-UONOGXRCSA-N 394.471 4.339 30 40 GIEB CCCC/N=C1/S[C@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1CCCC 101520591 NUHUKBJUECUGAG-YGCDDZCOSA-N 379.501 4.055 30 40 GIEB CCOc1ccccc1N/N=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175359 FGYNHSQYOSEHBI-XQNSMLJCSA-N 393.428 4.457 30 40 GIEB CCOC(=O)c1ccc(/N=C/c2cc(/N=N/c3nonc3C)ccc2O)cc1 4401882 IAWNIUABKXKGNY-WZPZYHAESA-N 379.376 4.426 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 4723944 HOHSIRJMBDJITD-XOCAJXSXSA-N 391.408 4.259 30 40 GIEB Cc1cccc2cc(C#N)c(NCCNC(=O)Nc3ccc(Cl)cc3)nc12 4881237 GIZHTOORHZXGJJ-UHFFFAOYSA-N 379.851 4.302 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 4973897 MPWWYKIJELSXPI-VOSQQLOXSA-N 399.491 4.469 30 40 GIEB CC(C)NC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 8693983 YGRFQTPANYWCIP-WOJGMQOQSA-N 393.607 4.068 30 40 GIEB Cc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c1 8991982 AUUIIDYHMIARCK-BKUYFWCQSA-N 392.432 4.379 30 40 GIEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1N1CCCCC1 12564778 XLZKUVNDXAIVHI-SFHVURJKSA-N 376.504 4.008 30 40 GIEB O=C(NCC#Cc1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 32802813 BKKZSOABKXCOSM-UHFFFAOYSA-N 387.464 4.407 30 40 GIEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989285 YFGQLZOKYPFRCJ-LLVKDONJSA-N 383.926 4.492 30 40 GIEB N#Cc1c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)sc2c1CCC2 97740566 MZROKHMDTYEZIW-UHFFFAOYSA-N 386.908 4.012 30 40 GIEB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 528927516 INIHQHVAWXZANT-WZONZLPQSA-N 391.471 4.021 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(C)o2)n1 585294090 NNVVRQGTRUOLEL-OAQYLSRUSA-N 388.475 4.424 30 40 GIEB CSc1ccc(/C=N/N(C)CCN(C)/N=C/c2ccc(SC)cc2)cc1 4691512 JZHBJWZSMROKTM-YHARCJFQSA-N 386.590 4.362 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(Br)c1O 6831951 ISAHLNLEIWVNJK-RUDMXATFSA-N 376.250 4.125 30 40 GIEB N#Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 7737900 RUILIAUXHILZNU-QFIPXVFZSA-N 376.843 4.496 30 40 GIEB C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886266 XEGYEWJCNBTMOV-LJQANCHMSA-N 397.272 4.190 30 40 GIEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C(=O)OC)cc1 8363714 CJEAQZGVVSKAPF-DLTWUOELSA-N 396.468 4.106 30 40 GIEB C=C(C)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1 9379063 TYQPBNVBBFFNLJ-GFCCVEGCSA-N 394.591 4.392 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccccc2)cc1 16737370 LIPQONRABLNMNY-HXUWFJFHSA-N 375.424 4.016 30 40 GIEB N#CCCN(C(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccccc1 40050587 VYXQKWWSKGZAQG-UHFFFAOYSA-N 396.874 4.252 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2c(F)cccc2Cl)c1 84083782 VCCLODDSLWHGCI-UHFFFAOYSA-N 387.886 4.475 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 253388358 OLDFOHABNQZMKB-WDNLGCKUSA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro CC(C)CCN1CC(F)(F)C[C@@]2(CCCN(c3cccc(C#N)c3)C2=O)C1 306140719 VBZBBYANGXFMER-FQEVSTJZSA-N 375.463 4.059 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OC(C)=O 408755544 QQJFHJUOFISRPV-UNOMPAQXSA-N 396.468 4.211 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 664584 ODXDFIPLRYSXOR-GZTJUZNOSA-N 398.846 4.006 30 40 GIEB CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795024 XJKTVPFBGUAFPX-XLIONFOSSA-N 395.455 4.160 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 5738803 WTXYTRDODISRJZ-WLDAGKKMSA-N 381.501 4.329 30 40 GIEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1 7127116 SJFNRTPLKXTRQW-IBGZPJMESA-N 389.480 4.396 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1CN1CCCC1 7715554 ZKOKXXLEZCEGMT-YRNVUSSQSA-N 378.472 4.146 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769831 QVJJTTWPHZLECW-ODXCJYRJSA-N 396.372 4.111 30 40 GIEB C=C(C)Cn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 8786755 MDBBCCGLIJCBCD-GOSISDBHSA-N 375.472 4.137 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3OC)o2)cc1 20761782 UHILCQOWJIDMNH-BUVRLJJBSA-N 378.428 4.256 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 22611827 JKPTUNMJXIONQF-HXUWFJFHSA-N 380.488 4.171 30 40 GIEB CCCCCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O 97951477 AGFLWWHQVPNOBV-UHFFFAOYSA-N 389.565 4.105 30 40 GIEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(Br)cc1 224729428 QGORZTSNMKAMBB-UHFFFAOYSA-N 380.307 4.393 30 40 GIEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)n1 408936036 FCDDTFDKQHEFSU-YVNNLAQVSA-N 397.866 4.299 30 40 GIEB C=CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl 409133323 SGBVHWMUDQRDEK-ATVHPVEESA-N 398.871 4.305 30 40 GIEB Cc1cccnc1CN1CCC[C@@H]1c1csc(Nc2cc(C#N)ccn2)n1 585295363 WQEWNOOEVSFQQF-GOSISDBHSA-N 376.489 4.194 30 40 GIEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC 1531382600 ASGKQHANZLEMIQ-PCLIKHOPSA-N 399.450 4.353 30 40 GIEB COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cc2ccccc2o1 4510921 KSFQZXWUKRHSQW-UHFFFAOYSA-N 386.411 4.471 30 40 GIEB CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)ccc1O 5444451 XNDNYNFBQSALAZ-FQEVSTJZSA-N 395.455 4.025 30 40 GIEB Cc1nc(NCCc2ccccc2)sc1C(=O)OCc1ccc(C#N)cc1 5938692 QWLQKABRHOVIBX-UHFFFAOYSA-N 377.469 4.335 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccc(O)cc3)nn1[C@H]2c1ccccc1 6732559 GSSROZFPJXQEHO-FQEVSTJZSA-N 386.455 4.309 30 40 GIEB C=CCn1c(SCc2ccccc2C#N)nnc1[C@H]1COc2ccccc2O1 8394681 WQWDZGGGJDRPCJ-LJQANCHMSA-N 390.468 4.141 30 40 GIEB CCn1cc(/C=C2/Oc3cc(OCC(C)=O)ccc3C2=O)c2cc(OC)ccc21 8991674 CQKMWLXTZSCKPC-LSFURLLWSA-N 391.423 4.254 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 13689941 VIZHZBFWIGUVBJ-QGZVFWFLSA-N 394.452 4.444 30 40 GIEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 24441083 CYCDXTRIZOSDNU-KBPBESRZSA-N 395.956 4.094 30 40 GIEB Cc1ccc(CSc2nc(N)c(C#N)c(COc3cccc(C)c3)n2)cc1 223685626 TYZQKVGGKVVINX-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(OC)c2)C1=O 409071843 LSONPRMIRUOWDL-UKTHLTGXSA-N 398.278 4.079 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCCC1 672176 RBFCISNFMKBGJM-XQNSMLJCSA-N 394.496 4.471 30 40 GIEB C=CCN(CC=C)CCNc1cc(C)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1 1706643 SASMBUVNGXXJEA-UHFFFAOYSA-N 397.914 4.144 30 40 GIEB COc1ccc(/C=N/n2cnnc2)cc1CSc1nc2ccccc2s1 2210821 WTVYDVMNEBMFIQ-ZVBGSRNCSA-N 381.486 4.071 30 40 GIEB COc1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2cccc(C)c2)cc1 2645468 LFUCAAJSYQUJSQ-UHFFFAOYSA-N 392.480 4.271 30 40 GIEB Cc1cc(C)c([C@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)c(C)c1 3764810 FSTLQOZBIPADHC-SANMLTNESA-N 380.487 4.480 30 40 GIEB Cc1c(/N=C/c2ccc(Sc3ccccn3)o2)c(=O)n(-c2ccccc2)n1C 4403859 DZHQACONIHSSPO-OEAKJJBVSA-N 390.468 4.374 30 40 GIEB COc1cc(Br)cc(/C=N/Nc2nc3ccccc3s2)c1O 4646481 CXGFQDFTTTWLCO-CAOOACKPSA-N 378.251 4.219 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 5157688 DIJKNMOLRVCFHV-KMDXXIMOSA-N 393.483 4.094 30 40 GIEB O=C(/C=C/c1cc(Br)cs1)c1ccc(N2CCOCC2)c(F)c1 7586480 WQOAWNJIBVPJEQ-DUXPYHPUSA-N 396.281 4.382 30 40 GIEB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2C#N)C1=O 12242007 MGNOYFMDBBKRRK-IBGZPJMESA-N 386.407 4.086 30 40 GIEB O=[N+]([O-])c1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 16524083 UWDNFNLEWLBWJO-UQQQWYQISA-N 398.466 4.316 30 40 GIEB C=CCc1cc(C(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1OC 95482246 UKDDMMLMQDQFCO-UHFFFAOYSA-N 383.835 4.057 30 40 GIEB COc1ccc(CN/N=C(\C)c2cc(C)ccc2Br)cc1OC 216059650 RGMQVCMXRXWTDP-FYJGNVAPSA-N 377.282 4.289 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 408530376 KRXISCZPSBMCMU-PDGQHHTCSA-N 396.424 4.396 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 408977264 VCLOBOJWLPFILB-BASWFCRESA-N 380.831 4.049 30 40 GIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccc1 1531197260 KWPPAEMHZDLHED-MTJSOVHGSA-N 384.277 4.339 30 40 GIEB O=C1CS/C(=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 36611816 MWAHXDSMBRLNHS-BZROSYFNSA-N 397.456 4.004 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 4803062 YUYNCILUEXAJJP-LRTDBIEQSA-N 393.512 4.304 30 40 GIEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 16046747 KKTBQUZKMBSWJG-DEOSSOPVSA-N 381.479 4.376 30 40 GIEB Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccn2)CO3)C1=O 9422861 JXZAICUXZCOBSS-GRSHGNNSSA-N 390.464 4.420 30 40 GIEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCc1cccc(C)c1 408865651 DHJPAMQMXGMZJC-LPYMAVHISA-N 396.516 4.298 30 40 GIEB CCc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c(C#N)c2c1CCCC2 71328743 NTCCHBTYBSIGAX-HNNXBMFYSA-N 379.529 4.364 30 40 GIEB C=CCOc1cccc(NC(=O)c2ccc(C)cc2I)c1 225021333 CXHUBXCMCDZEFD-UHFFFAOYSA-N 393.224 4.417 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1C 4814826 KTQIQWFTOHOMRM-CQSZACIVSA-N 399.545 4.324 30 40 GIEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c1OC 4944878 INPFAZYWPRGYTP-KRWDZBQOSA-N 377.440 4.231 30 40 GIEB N#Cc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 6580442 JHIPZUIDRNCENI-UHFFFAOYSA-N 390.826 4.460 30 40 GIEB C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 7645863 HBCXWJOZDSLBOK-SFHVURJKSA-N 390.483 4.165 30 40 GIEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(-c2ccccc2Br)o1 7777298 YRLKOVCKZYYIIJ-SRZZPIQSSA-N 395.212 4.339 30 40 GIEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc(OC)c1OC 8535498 DQPKSIDCSPJFGR-KXLSMFKISA-N 397.475 4.225 30 40 GIEB COc1ccc(-c2c[n+](CC(=O)c3ccccc3)c3n2CCCCC3)cc1OC 41124478 CCTJKXWWAWDSOI-UHFFFAOYSA-N 391.491 4.069 30 40 GIEB N#Cc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1F 95455406 HHOJYUZBJPZCJA-UHFFFAOYSA-N 391.431 4.284 30 40 GIEB C=CCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OC 408794656 AINRQOXHVLHKDH-UHFFFAOYSA-N 385.440 4.162 30 40 GIEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408820800 YVMMFOVVRWBYDX-LCYFTJDESA-N 398.278 4.079 30 40 GIEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2N2CCCC2)c1O 6615553 ZWISVKQCQDIYBQ-YBFXNURJSA-N 390.237 4.414 30 40 GIEB CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC 7333695 VAARYONEMAUJQU-RMKNXTFCSA-N 395.455 4.491 30 40 GIEB Cn1c(N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)nc2ccccc21 7343367 SHFSCQOTNKXUGA-SRZZPIQSSA-N 379.351 4.327 30 40 GIEB CCOc1ccc(-n2c(SCC#N)nnc2-c2c[nH]c3ccccc23)cc1 8090155 KCPXJUSFCZQUSW-UHFFFAOYSA-N 375.457 4.430 30 40 GIEB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C#N)cc1F 9190330 OMPRHXFADOBQKG-UHFFFAOYSA-N 389.365 4.131 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2c1=O 11427116 HTOYEEBCRYFZGT-UHFFFAOYSA-N 385.876 4.459 30 40 GIEB C=CCSc1nc(-c2ccc(Br)cc2)c(C#N)c(=O)n1CC=C 12363669 DHNPZIADOCRTNH-UHFFFAOYSA-N 388.290 4.009 30 40 GIEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC(=O)C3CC3)ccc21 13758463 IGQXXPIFHRLSCZ-MFOYZWKCSA-N 385.213 4.381 30 40 GIEB Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cccnc1)O2 20572731 WIZRFJCQIUFXQV-MTJSOVHGSA-N 386.451 4.344 30 40 GIEB O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=N/C[C@H]2CCCO2)c1 27024083 QAIAJTFRDBBBCB-CCULFSDZSA-N 376.416 4.045 30 40 GIEB COP(=O)(OC)c1nc(-c2ccccc2)oc1N/N=C/c1ccc(C)cc1 27025096 QALJRTCCCDITTM-DEDYPNTBSA-N 385.360 4.207 30 40 GIEB Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)OCCO4)n2)cc1 32682256 NCOCTHQHYLNASX-MRXNPFEDSA-N 376.437 4.380 30 40 GIEB CCOc1cc(/C=N\Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)O 32705961 VBSPVFQZTADSNX-UKWGHVSLSA-N 383.231 4.302 30 40 GIEB N#Cc1ccccc1OCC(=O)Oc1ccc2ccccc2c1Br 32988065 SEGDFHRPTLCNKG-UHFFFAOYSA-N 382.213 4.458 30 40 GIEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCc3cscn3)cc1)CO2 96993453 ONOREEZQEUETHU-NVNXTCNLSA-N 379.437 4.389 30 40 GIEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(Cl)c1O 107778193 HITPHDHONRNZNT-KPANDAATSA-N 380.878 4.319 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 409231884 LLOIKQDEHXAIPQ-LMDBJESCSA-N 386.448 4.467 30 40 GIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc2c1 1354489 GSZGUOCKLMVQNU-UHFFFAOYSA-N 390.464 4.470 30 40 GIEB CC[C@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccccc1 2617285 XGPZIVIAPNCKDA-ZBFHGGJFSA-N 396.512 4.420 30 40 GIEB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1)c1ccc(Cl)cc1Cl 4473850 ZBNXEWZFINRQKZ-APSNUPSMSA-N 389.198 4.374 30 40 GIEB CSCc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1 5428062 PVJUWQMWVHFABZ-UYRXBGFRSA-N 381.497 4.080 30 40 GIEB CCOc1c(Br)cc(/C=N/Nc2nc3ccccc3[nH]2)cc1OC 7008573 OFXSGAVDCOHUGO-VXLYETTFSA-N 389.253 4.179 30 40 GIEB COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1ccc(C#N)cc1 8708799 WUKRPOFFHUPUGW-JXMROGBWSA-N 385.261 4.001 30 40 GIEB CCn1/c(=N\C(=O)c2ccc(C#N)cc2)sc2cc(Br)ccc21 12180843 KFGZYBSRXIWEKR-LVZFUZTISA-N 386.274 4.098 30 40 GIEB O=C(O)CSc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1F 13020499 GSFRRAJNNWTGQO-SOFGYWHQSA-N 382.416 4.084 30 40 GIEB Cc1cc(C)c(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22313713 ISQHQAZJLUIKAT-UHFFFAOYSA-N 382.511 4.482 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 36874524 UVSLRQXSETXTKH-QHCPKHFHSA-N 390.483 4.174 30 40 GIEB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 68741410 SWEAEVYZGRTNQU-UHFFFAOYSA-N 375.453 4.487 30 40 GIEB C#CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(Br)ccc21 100875334 IVADWJJXRDKRJT-VZCXRCSSSA-N 399.313 4.159 30 40 GIEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3)n2)cc1 2746231 AJHQGXJIXBCRRW-CQSZACIVSA-N 390.468 4.149 30 40 GIEB Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 4945116 ITJBKYRJVLKYES-YEJXKQKISA-N 385.427 4.077 30 40 GIEB Cc1nc(N2CCOCC2)sc1C(=O)/C=C/c1ccc(Cl)cc1Cl 5212170 RSZCKZXKIATMBM-HWKANZROSA-N 383.300 4.491 30 40 GIEB O=C1CCCC(O)=C1[C@H]1C2=C(CCCC2=O)Oc2ccc(Br)cc21 5323266 PJCMNWJPRBHCHC-KRWDZBQOSA-N 389.245 4.497 30 40 GIEB CCOc1cc(C#N)cc(Br)c1OC(=O)COc1ccccc1C 6930760 TUJHIKSVDAVGPJ-UHFFFAOYSA-N 390.233 4.012 30 40 GIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12108763 XMXWQQKZWFXZPK-MDZDMXLPSA-N 398.466 4.000 30 40 GIEB CCCCOc1ccc(CNC(=S)N/N=C\c2ccc(O)cc2)cc1Cl 28615351 ZWOOYDVEBBDNTO-XKZIYDEJSA-N 391.924 4.223 30 40 GIEB C=CCn1c(Cc2ccc(Cl)cc2)nnc1[S@](=O)Cc1ccc(F)cc1 35683072 IIIHJKMSJFHSST-SANMLTNESA-N 389.883 4.155 30 40 GIEB CC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 95215273 LRDDBAJOQUHVPE-YYDJUVGSSA-N 382.423 4.108 30 40 GIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 101662260 PWJSZWMXQPXIDP-LJQANCHMSA-N 397.878 4.089 30 40 GIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102881983 VBBQDNCIVZHOIP-WOOAAIBNSA-N 392.411 4.073 30 40 GIEB CC(C)(C)OC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)OC(C)(C)C 196128948 AJGMQGBTCUVDON-UHFFFAOYSA-N 394.516 4.068 30 40 GIEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1 224723572 WYVAIGYBZDVJOY-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)c(C#N)c1C 409091685 RLKJGBKWTIZLFP-ZVBGSRNCSA-N 379.328 4.385 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1OC 2055361 GLCYUOWOVFMYSY-FQEVSTJZSA-N 399.487 4.015 30 40 GIEB Cc1cc(C)cc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 2234885 HLWFTVBYQLNUGN-IBGZPJMESA-N 399.498 4.483 30 40 GIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)s1 4137534 GJZYBMMNSXZFDA-OAHLLOKOSA-N 387.530 4.205 30 40 GIEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 6181761 MHNYWQOXEVSFTE-HYARGMPZSA-N 384.432 4.386 30 40 GIEB C=CCn1c(C)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 8147082 RDRRRKZXNMOPEA-OAHLLOKOSA-N 385.562 4.355 30 40 GIEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 12062597 NXHKQVQWPOYGCF-QHCPKHFHSA-N 394.515 4.217 30 40 GIEB CCc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102668416 WBDTWXGFWNEUKI-NHFXJNLRSA-N 388.423 4.172 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 103098388 UGLDBWLEYXAIPN-LFVOPCPISA-N 383.419 4.056 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926963 ZPTTUFVORSZZFO-LIASLNQGSA-N 390.495 4.357 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OC 408880847 HRPAIAAYKRWAGS-PDGQHHTCSA-N 384.432 4.291 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)cc2c1 933874 QXAXCVUBICYLEK-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984109 XPUNSXWRMKJQJL-UHFFFAOYSA-N 391.448 4.345 30 40 GIEB CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 672198 LCDKUIDNRYSDCK-CPNJWEJPSA-N 395.322 4.230 30 40 GIEB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC#N 3388193 IJWOCQQXFCLBFD-PDGQHHTCSA-N 396.493 4.312 30 40 GIEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 15016126 ZFABGPZCGZZWJA-YPKPFQOOSA-N 390.251 4.207 30 40 GIEB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC#N)cc1Cl 8664635 QSOAJBKICJHHPH-UVTDQMKNSA-N 389.889 4.411 30 40 GIEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1cccc(Cl)c1 409361575 TXPIJNLKNNMIKU-UHFFFAOYSA-N 392.846 4.045 30 40 GIEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1Cl 408799821 LQBLBKNOYCXMIZ-OLRBPVQESA-N 386.879 4.073 30 40 GIEB O=C1/C(=N\O)c2cccc(Cl)c2N1CCCOc1ccc2ccccc2c1 46084691 YVJFBFUYLJSYSN-NMWGTECJSA-N 380.831 4.487 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(C)cc1 14082422 KICBYEMBMHEIQY-KRWDZBQOSA-N 392.528 4.409 30 40 GIEB O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3c(F)cccc3Cl)[nH]2)c1 16972566 GFWQPGMGAGMUEM-UFWORHAWSA-N 376.800 4.379 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cccc(C)c1 3400883 NSZKEHVHMWYFMI-KRWDZBQOSA-N 392.528 4.409 30 40 GIEB COCC/N=c1/scc(-c2ccco2)n1/N=C/c1c(O)ccc2ccccc12 102925798 MLXZFVXBGZZYNH-XYHPYLCDSA-N 393.468 4.098 30 40 GIEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 13879904 YWASONMCGVRIGU-YGCDDZCOSA-N 379.501 4.055 30 40 GIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/C=C/c1ccco1 16672927 GOMBAULBTVDEFW-HNBAAQFOSA-N 375.247 4.490 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611361 OJHRCQGXCFTKAO-DJKKODMXSA-N 376.869 4.145 30 40 GIEB Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 13551810 WIJHENCDNLUGRH-QVKFZJNVSA-N 388.423 4.352 30 40 GIEB COc1ccccc1/C=C1/S/C(=N\c2cccc(Br)c2)NC1=O 2261057 YXIRZNVLHHHCDZ-OQLLNIDSSA-N 389.274 4.349 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 3098462 OBEPGWIAWIQQOL-FQEVSTJZSA-N 396.443 4.049 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccco1 5025961 HOMMFOBDDSMJMI-UHFFFAOYSA-N 388.880 4.417 30 40 GIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2cn(C)c3ccccc23)S1 5376641 POJSSAXRENJTBX-XDHOZWIPSA-N 377.469 4.469 30 40 GIEB COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)/C=C/c1ccccc1 14811033 IVKGLRZLTNXWKF-VAWYXSNFSA-N 376.408 4.299 30 40 GIEB biogenic,in-vitro COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 15952879 QGHJYGWAKYAHDK-FQEVSTJZSA-N 389.407 4.067 30 40 GIEB COc1cc2c(cc1OC)[C@@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 18197176 PUMZSZFDXLNUKR-OAQYLSRUSA-N 395.455 4.286 30 40 GIEB CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)cc1F 20849317 BWLCXFVHBRMMHP-GFMRDNFCSA-N 386.354 4.122 30 40 GIEB N#CCSc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 24759859 UEVRAPQLSJOOTA-UHFFFAOYSA-N 390.390 4.309 30 40 GIEB Oc1ccc(Br)cc1/C=N/Nc1nc2ccccc2nc1Cl 32502353 WOVQDZDLKINUOM-QGMBQPNBSA-N 377.629 4.197 30 40 GIEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916051 AKMGOLMVBIBATQ-KJQZQQDSSA-N 382.548 4.386 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]12 408728406 LPLPLDUEOPRMFY-FGEXJBCWSA-N 390.442 4.129 30 40 GIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1C 409094438 DTGWPMYOJDEBTL-ZVBGSRNCSA-N 383.326 4.385 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409137190 ULPZEEAEAZGXRW-XSFVSMFZSA-N 377.488 4.470 30 40 GIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCCCC1 3485657 XTRDEXNKQZAJEI-MRXNPFEDSA-N 384.549 4.481 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 8205604 YZLASFLZFWZQPZ-OEAKJJBVSA-N 390.395 4.428 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 12447748 BZLOAKQOXAAWJG-ZWUNQBBJSA-N 398.890 4.133 30 40 GIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2OC)c1C 20762522 OTOKHRKLLCXNEJ-MFKUBSTISA-N 391.471 4.013 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)c1 22902168 XZGOZPBAWUAGAP-UHFFFAOYSA-N 385.419 4.134 30 40 GIEB C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C 44085785 HOEZGAMPBNBEKL-UHFFFAOYSA-N 394.338 4.115 30 40 GIEB CCOc1ccc(C2(CNc3snc(Cl)c3C#N)CCOCC2)cc1 57148829 NXUTXFIEKUKMDU-UHFFFAOYSA-N 377.897 4.227 30 40 GIEB N#CC1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 58086496 IRMWTVXLDPTHJD-UHFFFAOYSA-N 376.485 4.231 30 40 GIEB Cc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 95215275 PZPCVNRUPJPBCQ-DARPEHSRSA-N 399.410 4.122 30 40 GIEB O=C1/C(=N\Nc2cccc(Cl)c2Cl)c2cccc(F)c2N1C1CSC1 223757782 UCPKPKRLHKNGBE-JCMHNJIXSA-N 396.274 4.411 30 40 GIEB Cc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)s1 252506982 WEWZVSFPCIVPEN-QPSGOUHRSA-N 398.389 4.159 30 40 GIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 825646 RHTZPXRYLCVXOY-SFHVURJKSA-N 398.459 4.152 30 40 GIEB O=C(/C=C/c1cn(C[C@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 4116450 FUQMWHMVNUKFRR-DGXIYAMASA-N 388.511 4.384 30 40 GIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(F)cc2)c1=O 4667436 YEOUGDWNMFQKDA-BJMVGYQFSA-N 376.225 4.276 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccnc1 5100957 UUKHEDCSNUCDLP-UHFFFAOYSA-N 399.907 4.219 30 40 GIEB CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6708955 FSQWJFKPBKRQPI-GFCCVEGCSA-N 383.542 4.434 30 40 GIEB O=C(c1ccccc1)c1ccc([C@@H](C(=O)N/C=N/O)c2ccc(Cl)cc2)cc1 12959561 BJYWPGFZBMPXBY-HXUWFJFHSA-N 392.842 4.237 30 40 GIEB CCOc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1OC(F)F 40086162 ZETQMXWFJIYUQC-UHFFFAOYSA-N 376.403 4.069 30 40 GIEB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 69815227 WEWIVJGYMSLUPV-QFIPXVFZSA-N 382.552 4.133 30 40 GIEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103542357 UUKKQANYOKYKJH-UHFFFAOYSA-N 396.074 4.195 30 40 GIEB COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218472213 PJVUXKTVOIOLOO-FGTMMUONSA-N 396.295 4.089 30 40 GIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21 223753681 ZVXRDBHZBXZGFV-XLNRJJMWSA-N 375.856 4.066 30 40 GIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 225763142 BNLSTFULVFAZFP-UHFFFAOYSA-N 380.419 4.463 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(Cl)c1 408841859 IDFOEFBHGSWDKM-GOSISDBHSA-N 395.842 4.177 30 40 GIEB C=C1OC(=O)C=C(OC)[C@]12[C@H](CCC)Cc1oc(=O)cc(OC)c1[C@@H]2CCC 1772591631 IWWMEIAQPIOWDB-GTQRCTGISA-N 388.460 4.092 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2c1 907326 HNAXCFBSWUNEGO-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1OCC(=O)O 5357637 WIFBKSABILDGGL-HZHRSRAPSA-N 376.412 4.331 30 40 GIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 5408128 XELASRMCCWRRFV-GOSISDBHSA-N 385.847 4.280 30 40 GIEB C#CC(C)(C)OC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 5632328 XQWSRDWTPMEDDY-UHFFFAOYSA-N 379.243 4.164 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265788 NWZUJJLXPGTQFU-GOSISDBHSA-N 394.452 4.390 30 40 GIEB N#Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 6400948 FFCBDAVTDNSQFY-KRWDZBQOSA-N 393.493 4.438 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 6782315 XKGXKPKSNMFXGZ-LJQANCHMSA-N 383.444 4.018 30 40 GIEB COc1ccc([C@H]2CC(=O)N/C(=N\c3ccc(Cl)cc3F)S2)cc1OC 12338517 SXYSEUPKKIFRCL-MRXNPFEDSA-N 394.855 4.478 30 40 GIEB C=CCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)SC1=S 17353810 MDIRAJXDJCXYIP-AWNIVKPZSA-N 379.304 4.318 30 40 GIEB COc1cc2c(c(OC)c1)[C@@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2 18200500 IAOYBZKZTDUCCQ-NRFANRHFSA-N 395.455 4.286 30 40 GIEB CSc1nc(O)c(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cc1C#N 24745736 AFGWZRVAARGCNH-UHFFFAOYSA-N 397.544 4.268 30 40 GIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 40266719 OMQVGGPEDAVJDG-VBKZILBWSA-N 388.427 4.058 30 40 GIEB C#CCN(C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1)C1CCCCC1 72288038 STZLQQDFNUZHIH-SFHVURJKSA-N 382.426 4.370 30 40 GIEB C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)COc1ccc(C#N)cc1 95413201 JNKPNXAYYGHASC-LBPRGKRZSA-N 375.255 4.390 30 40 GIEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCOCC3)/C2=N\C(C)(C)C)cc1 101377362 OAFWJKWGZRVVBX-MEQARESCSA-N 397.563 4.190 30 40 GIEB Cc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225860811 ONVXIXDEWPEYDK-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB C=CCc1cc(/C=C2\SC(=Nc3ccc(OCC)cc3)NC2=O)ccc1O 408739780 AITDAUXICLFZCB-UYRXBGFRSA-N 380.469 4.411 30 40 GIEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408804183 CXASWTURPJQDKE-HMMYKYKNSA-N 398.418 4.071 30 40 GIEB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409157413 JELMSDAHUXORKJ-GQIGUUNPSA-N 377.400 4.332 30 40 GIEB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3cccc4[nH]ccc34)n2)cn1 585294178 PBMMLMXUICPVNI-JOCHJYFZSA-N 395.470 4.305 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4[nH]3)c2C#N)C1 1035362 FKQROFOMZRFHRF-LLVKDONJSA-N 382.514 4.352 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S 1295890 MDNOJCKSNFNOAN-LFIBNONCSA-N 385.466 4.120 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccs1 2379119 ALTMVYLXSGOKPQ-UHFFFAOYSA-N 384.530 4.486 30 40 GIEB CCc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)cc1 4749820 OYIOOVFFXANCPC-CIAFOILYSA-N 397.276 4.003 30 40 GIEB Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)cc1 5345311 AGZNRAJXNULASY-IBGZPJMESA-N 398.422 4.224 30 40 GIEB Clc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 5347635 DYDAFTZRKAPINO-LSFURLLWSA-N 397.891 4.422 30 40 GIEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccncc4)nn32)cc1 6046395 JVQCUCZMDHGFBG-FQEVSTJZSA-N 385.471 4.307 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(N)=O)cc3)c2C#N)C1 6323040 YRFOLQWQJBSQSS-HURLIOHXSA-N 395.528 4.385 30 40 GIEB COc1cc(C(C)=O)ccc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 12632488 NFLOEZNLKKQONN-LPYMAVHISA-N 379.456 4.157 30 40 GIEB Cc1nc2ccccc2n1CCc1n[nH]c(=S)n1/N=C/c1ccccc1Cl 13409801 YYGOUWRXXMYUNP-CIAFOILYSA-N 396.907 4.377 30 40 GIEB CC(C)c1ccc(-c2nnc(/N=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 20495977 MWFISXRKGYPTHV-UHFFFAOYSA-N 397.347 4.313 30 40 GIEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCOCC3)/C2=N\C(C)(C)C)cc1 33435845 OAFWJKWGZRVVBX-YXQDFNCHSA-N 397.563 4.190 30 40 GIEB Fc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1Cl 59302421 ZDEJTQJOBLKZPQ-DJKKODMXSA-N 387.636 4.422 30 40 GIEB O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cccc(Br)c1 102944797 IOOUUTSXFGEANY-NMWGTECJSA-N 392.256 4.334 30 40 GIEB C#CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc12 226360221 YUALPBYRCWLTJW-UHFFFAOYSA-N 396.240 4.463 30 40 GIEB CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265179 VBTZTTLEKGCDSV-WBVHZDCISA-N 380.492 4.063 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3235652 FDUIKCCYVOGJMT-UHFFFAOYSA-N 382.847 4.205 30 40 GIEB N#Cc1c(NC(=O)COC(=O)c2cccc3ccccc23)sc2c1CCCC2 3299830 CYCBCVAFHHJYQY-UHFFFAOYSA-N 390.464 4.447 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 4436336 VTZLRCVRHOIKFO-KRWDZBQOSA-N 384.505 4.057 30 40 GIEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1ccc(C(F)(F)F)cc1 5353148 RFNVCWVMKXOPNE-ATVHPVEESA-N 389.373 4.236 30 40 GIEB COc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)N=C2O)cc(OC)c1OC 6641363 QXPXUXLBRYZSSF-YBEGLDIGSA-N 386.429 4.150 30 40 GIEB CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cnc21 12779086 URRUWWCGQFUFCS-LBPRGKRZSA-N 379.489 4.322 30 40 GIEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)OCO2 13123296 ZXNDKJXTMSKJKM-UBKPWBPPSA-N 399.038 4.397 30 40 GIEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 18222368 GKRSXUWRKQNIDF-GCJKJVERSA-N 385.471 4.212 30 40 GIEB COc1ccc(C(=O)/C=C2/C(=O)N(c3ccccc3)C(=N)N2c2ccccc2)cc1 36033895 PKILMONVIFEXLS-SNSRFIGSSA-N 397.434 4.250 30 40 GIEB Ic1ccccc1/C=N\Nc1nc2ccccc2s1 36490490 GLLWDJKJZPWOIR-SXGWCWSVSA-N 379.226 4.347 30 40 GIEB Cc1[nH]c(SCC(=O)NC2(C#N)CCCCCC2)nc1Cc1ccccc1 40050443 BPWRQLDPBPRGFE-UHFFFAOYSA-N 382.533 4.134 30 40 GIEB COc1ccc(-c2csc(CCNc3ccc([N+](=O)[O-])cc3C#N)n2)cc1 48308861 ZRZUAFCUICHCGA-UHFFFAOYSA-N 380.429 4.253 30 40 GIEB C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)c1 245224914 HXGHCEBGUYFSPZ-BWAGFHJFSA-N 390.458 4.219 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OCC 408850429 NNNDJYNQIAXGMM-XLYLYLGSSA-N 392.908 4.063 30 40 GIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C)cc1 409061405 WYUBTMAEOWQHAH-SRZZPIQSSA-N 381.457 4.434 30 40 GIEB O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S/C1=C\c1cc(Cl)ccc1O 1032107 YGNSMSOCDAVRLP-RWVGOLBQSA-N 392.267 4.293 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CCCCC1 3314707 NDBICDPJYXXMMH-UHFFFAOYSA-N 391.928 4.291 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(N(C)C)cc1 4821524 CHJLTHKXQTVZKQ-GMAHTHKFSA-N 393.483 4.081 30 40 GIEB C=CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 4944154 WPUDWACEBJEBQX-INIZCTEOSA-N 375.428 4.124 30 40 GIEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 9423653 NDAJWUGDLYWDOM-FBHDLOMBSA-N 388.398 4.189 30 40 GIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 12323431 QJBGDNJKUXOVFT-SGTLLEGYSA-N 394.456 4.119 30 40 GIEB O=c1oc2ccccc2c(O)c1C1=N/C(=N/N=C/c2ccc(Cl)cc2)SC1 16952462 SRJBDQQFADAFDI-PRDCXMMOSA-N 397.843 4.078 30 40 GIEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58159623 BAHCXQZUWZZZLW-AWEZNQCLSA-N 393.378 4.040 30 40 GIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1O 59106030 SSMNVAOFTIKVOU-OQLLNIDSSA-N 392.839 4.475 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 102863647 NCKGBBXQPYFKOY-JBCNATCCSA-N 384.435 4.012 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)o1 408592693 NKHLNKSJGJGEBX-RGVLZGJSSA-N 397.343 4.322 30 40 GIEB COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OC(C)C 409046006 QUQWGNSGWXRTBM-QPJQQBGISA-N 376.272 4.196 30 40 GIEB CCOC(=O)c1cccc(/N=C\c2cc(OC)c(N3CCCC3)cc2OC)c1 409093616 BHXHGCMYDBAWOT-HAHDFKILSA-N 382.460 4.231 30 40 GIEB CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)N[C]1SC2=C(CCCC2)[C@H]1C#N 409416305 ZVJVQKDDQPVSCM-HUUCEWRRSA-N 387.554 4.285 30 40 GIEB C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 513026489 BTWZRADNZKALCQ-ACJLOTCBSA-N 376.382 4.093 30 40 GIEB C=CCN(CC=C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1666049575 CYOMNOMJHBNNIV-UHFFFAOYSA-N 385.110 4.119 30 40 GIEB N#Cc1cc(Br)cnc1N1CC(n2c(C3CC3)nc3ccccc32)C1 1889205614 ALNOSTQFNLQGEN-UHFFFAOYSA-N 394.276 4.004 30 40 GIEB Cc1ccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c(O)c1 1808188 CXZMPGFHOGKQRN-SSDVNMTOSA-N 386.517 4.456 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cc(C)cc(C)c1 3298399 CUOJDZHLWJCQFZ-COPMAWBXSA-N 393.512 4.450 30 40 GIEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O 9486494 KTCBDOBHQQUNKE-ODLFYWEKSA-N 382.412 4.032 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccs2)cc1 12408747 QYPXXAOEEYUZGU-KZULUSFZSA-N 394.456 4.119 30 40 GIEB COc1cccc(-c2cc3nc(-c4ccc(Cl)cc4)c(C#N)c(N)n3n2)c1 19797072 BTCKMQUPYSCJBB-UHFFFAOYSA-N 375.819 4.179 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc(Cl)c1 22608196 GCMOTIIOQZCRPI-CLAHSXSESA-N 382.773 4.218 30 40 GIEB Cc1cc(C)nc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 33040406 IXYJXENGQNCFKP-WSDLNYQXSA-N 379.851 4.445 30 40 GIEB CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 59427071 WICVJVMYMVFTJX-UHFFFAOYSA-N 385.419 4.482 30 40 GIEB N#Cc1cc(NC(=O)N[C@H]2CCc3ccccc32)ccc1OCC(F)(F)F 78413890 BINMHFBRYRFVNP-INIZCTEOSA-N 375.350 4.308 30 40 GIEB N#Cc1ccc(OCCN(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 78772633 YDOHOKXMSPASBP-UHFFFAOYSA-N 379.287 4.128 30 40 GIEB O=C(O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1Cl 408748621 BDGKPVWBEWUTED-UKWGHVSLSA-N 386.751 4.047 30 40 GIEB O=C(O)c1cc(/N=C\c2cccn2-c2ccc(Br)cc2)ccc1O 408851599 DEMYFARFDHOYPH-JAIQZWGSSA-N 385.217 4.394 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(Cl)c1O 408865973 FOOMZUHVSVCKDZ-DHDCSXOGSA-N 392.839 4.475 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)o2)cc1Cl 409142882 DHEWVLHDHUJIQE-QCXOOGOMSA-N 394.858 4.440 30 40 GIEB Cc1cc(C)cc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c1 409361761 RGIDADMBIPKPRP-UHFFFAOYSA-N 386.455 4.009 30 40 GIEB N#Cc1cccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1 608929173 LVPMTVVAGMFKMH-UHFFFAOYSA-N 392.484 4.202 30 40 GIEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCc1ccccc1 4107788 YJPWRPVWJGDMHI-KAXIZBKFSA-N 381.526 4.202 30 40 GIEB CCc1ccc(N/N=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 5023763 BKCFTCBDOSQMIE-JLPGSUDCSA-N 376.441 4.441 30 40 GIEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)c1 5376467 IJUOJCZMMCZEQZ-PXNMLYILSA-N 392.839 4.388 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 5629605 JSVHJSIGHXRTAQ-NSHDSACASA-N 379.243 4.130 30 40 GIEB N#Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 7062100 BOCJAONJEYCUES-INIZCTEOSA-N 382.514 4.350 30 40 GIEB COc1ccc(-c2nc(COC(=O)c3cccc(C#N)c3)cs2)cc1OC 7395392 HIWLUDLUMWRRQM-UHFFFAOYSA-N 380.425 4.056 30 40 GIEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C#Cc2cccs2)c1 12560683 BWOVNHQPZJSLIG-UHFFFAOYSA-N 398.465 4.165 30 40 GIEB CC1=C2[C@H]3OC(=O)[C@H](CN4CC[C@@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658141 ZKHQMBPYBVPJKV-TVPMIYMNSA-N 385.548 4.158 30 40 GIEB biogenic C[C@H](/N=C(\S)Nc1cccc(F)c1)[C@@H](c1cccs1)N1CCOCC1 13878800 DNWDKRSFUCOBDM-GUYCJALGSA-N 379.526 4.047 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(Cl)cc1 19959769 RHUSPIPCFNTWJU-CLAHSXSESA-N 382.773 4.218 30 40 GIEB C#CCOc1cc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1OC 36364885 UAGLSUCCVPYTNQ-OAHLLOKOSA-N 397.500 4.278 30 40 GIEB COc1ccc(OC)c2c1[C@H]1c3c(F)c(F)c(F)c(F)c3[C@@H]2C12OC2(C)C 45071348 GICRREZPKWDRHV-RAKKMVLPSA-N 380.337 4.399 30 40 GIEB Cc1ccc(-c2nnc([C@H](C)N3CCCN(c4ccccc4C#N)CC3)o2)cc1 58196315 ZCWBMZOWAVLUKT-SFHVURJKSA-N 387.487 4.190 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F 97104933 PNTDIEXDDQEUDV-GCJKJVERSA-N 398.430 4.162 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2)n1 250962719 LCKPASQOXBDRBU-VGOFRKELSA-N 386.455 4.153 30 40 GIEB CC(C)([C@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 544364559 AWXBIQVSPYZZLP-HXUWFJFHSA-N 383.442 4.182 30 40 GIEB Cc1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)o1 1531170370 NCRUJPUEPVUWQV-JMIUGGIZSA-N 388.265 4.240 30 40 GIEB CC1(C)C(c2cccs2)=[N+]([O-])[C@@]2(CCCC/C2=N\Nc2ccccc2)N1O 7787369 ADHBXXMCNQLVJS-RWVGPTSPSA-N 384.505 4.269 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1nnc(C)s1 12032325 BPWASQFREXUPHI-PKOZXGCMSA-N 376.894 4.290 30 40 GIEB CCOc1ccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1 12250973 YVUYBONBTYNBJL-UHFFFAOYSA-N 379.441 4.343 30 40 GIEB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1C#N 2185130 NHKMQFLEZCXGSG-VCHYOVAHSA-N 396.493 4.025 30 40 GIEB Cc1c(N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)c(=O)n(-c2ccccc2)n1C 4275625 QDOANWVBFAYXTC-UHFFFAOYSA-N 377.488 4.304 30 40 GIEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 5130728 KYUGTCOUMJNYGA-NTUHNPAUSA-N 395.499 4.404 30 40 GIEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(Br)c3)S2)c1 4491754 MVTMDQUYMNZDMW-OQLLNIDSSA-N 389.274 4.355 30 40 GIEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(O)cc1 4676202 RFWZHEGAMPDOCT-PDGQHHTCSA-N 379.416 4.214 30 40 GIEB COc1cc(/C=C/C(=O)Nc2nc3c(C)cccc3s2)ccc1OCC#N 6790145 JPDAAQBWEHBNGK-VQHVLOKHSA-N 379.441 4.168 30 40 GIEB C=CCn1c(C)nnc1S[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 8944432 UHVAAGQGQNFTIS-JTQLQIEISA-N 399.501 4.184 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 9419307 IQJCDQFMRYIYMS-BKUYFWCQSA-N 392.432 4.379 30 40 GIEB CCn1c(N/N=C/c2cccc(I)c2)nc2ccccc21 408691973 ADLPYWNJIXXYCY-WOJGMQOQSA-N 390.228 4.107 30 40 GIEB COc1cccc(/C=N/O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1OC 124387201 WTGIDQZWQTZYFT-DACUGSJHSA-N 390.867 4.352 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369267 AKMGOLMVBIBATQ-YAQDREMBSA-N 382.548 4.386 30 40 GIEB Cc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)c([N+](=O)[O-])c1 8371249 JIEYLLDHIWJXLD-LPYMAVHISA-N 394.456 4.161 30 40 GIEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 2379344 QXPGFWNTSKMPDG-SJORKVTESA-N 388.307 4.366 30 40 GIEB Cc1ccc(C(=O)/C(=N\Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 13749575 LHKYJJMSRJZZGO-QOMWVZHYSA-N 383.407 4.196 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(Cl)c1 654695 KUUHSYLFMJTYRB-GOSISDBHSA-N 395.842 4.090 30 40 GIEB N#Cc1cccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)c1 22453798 HFBWRPDXHPOUGX-UHFFFAOYSA-N 388.242 4.242 30 40 GIEB COc1ccc(C2=NOC(=O)/C2=C\c2ccc(Cl)cc2Cl)cc1OC 101662350 PPBZPGYTURXSII-QPEQYQDCSA-N 378.211 4.355 30 40 GIEB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(NCCCn2ccnc2)o1 27529804 IQYFKTRBVWXFAX-RISCZKNCSA-N 380.279 4.304 30 40 GIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(c2ccc(F)c(F)c2)CO1 13688945 XYOMCGARLALNLX-UKWGHVSLSA-N 392.361 4.333 30 40 GIEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 5268355 DCABMAYQMCFQJB-XDJHFCHBSA-N 382.419 4.355 30 40 GIEB C(=N/N=c1\sc2ccccc2n1Cc1ccccc1)\c1ccc2c(c1)OCO2 4705076 MAODGSAKGXAUFI-KRLZMICPSA-N 387.464 4.415 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1F 4919783 AOJZKMAORMLFPH-VGSWGCGISA-N 398.430 4.162 30 40 GIEB CN(C)CCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 8654620 CFILHMCYGQQGHC-UHFFFAOYSA-N 386.839 4.012 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c(OC)c1 9341706 NQTFGKDDPAJFHW-GRSHGNNSSA-N 382.412 4.272 30 40 GIEB biogenic COC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c1 408911739 CYCDMCFFTHLOLN-FSJBWODESA-N 376.412 4.360 30 40 GIEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 408617743 IZTNJAFWFYJARG-UHFFFAOYSA-N 388.272 4.368 30 40 GIEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1O 37390767 WIDJNXMNZAYNDV-UFWORHAWSA-N 384.219 4.130 30 40 GIEB C=CCOc1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1 13720993 WYQNGWOUCMPNHU-UHFFFAOYSA-N 395.528 4.062 30 40 GIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1C 13747513 LQHIPYZYMPHJED-UHFFFAOYSA-N 389.249 4.045 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1 891584 ZYNMUHKXONGZSB-UHFFFAOYSA-N 378.453 4.341 30 40 GIEB CC1(C)[C@]2(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC[C@@]1(C)C(=O)O2 936603 XMNOZHGPEKGZRT-XZOQPEGZSA-N 375.424 4.253 30 40 GIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 3555064 QJRNYFFIXBOXHS-UHFFFAOYSA-N 397.416 4.240 30 40 GIEB CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC)cc1 4681762 WCORUXRBAZAMCK-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)cc1 6677838 NMNWZWOOKGSONK-SFHVURJKSA-N 398.532 4.447 30 40 GIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11915955 AGRRDQCPVKFPGU-UHFFFAOYSA-N 378.866 4.377 30 40 GIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)cs/c2=N\CCOC)cc1 12602926 ARVPCVHGDRXCDQ-FMBHRACPSA-N 381.501 4.045 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)no1 102805219 TUNDHJCREBIEMM-SELCWUDQSA-N 394.814 4.263 30 40 GIEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c1 409066933 DRJLMYCPWRUHAO-AWQFTUOYSA-N 386.751 4.047 30 40 GIEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 1057499 MBVBYUABXBKUHZ-NJYVYQBISA-N 382.467 4.098 30 40 GIEB COC(=O)c1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 1086035 AXKNUNNJISQVCW-DJKKODMXSA-N 382.272 4.101 30 40 GIEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1304045 BKGHXCZAKDLDTK-JJBLJPBOSA-N 387.486 4.167 30 40 GIEB CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)c1 4508494 NOTNFEJLZRNPAD-WYMPLXKRSA-N 384.867 4.142 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 5186409 JRVRNBYUKIAXTL-QQNJPBSNSA-N 390.442 4.129 30 40 GIEB N#C[C@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)c1c(Cl)cccc1Cl 6500122 UORPQFNFXXOTQB-UKITTYSFSA-N 391.298 4.111 30 40 GIEB N#CCCN(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 6829565 HHZLMMQSWPAZGV-UHFFFAOYSA-N 391.254 4.026 30 40 GIEB Cc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cc(F)cc(F)c2)c1 8742738 CSBQVWKFASWXTC-SPLOXXLWSA-N 392.409 4.280 30 40 GIEB CCOc1ccc(OC[C@H](O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 12847217 SEHBDQNBVQDUGE-OAQYLSRUSA-N 389.451 4.443 30 40 GIEB C=CCNC(=S)N/N=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 32124561 WXPONOVQSGKAQS-NDENLUEZSA-N 386.502 4.038 30 40 GIEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCc1ccccc1 408880427 JTYOZXUHSYFPPK-WSDLNYQXSA-N 378.388 4.023 30 40 GIEB C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OC)c1OC 409073008 UNILMFQBAIEYNM-UHFFFAOYSA-N 393.483 4.133 30 40 GIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Sc2ccc(Cl)cc2)o1 409341703 GFZFLBYSNFHLDZ-UHFFFAOYSA-N 397.843 4.382 30 40 GIEB COc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 409384452 CCWZXDNMLVUCPC-WSDLNYQXSA-N 381.384 4.325 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)cc(F)c3)s2)cc1 3341119 RYGVRVHNFFRKNP-UHFFFAOYSA-N 388.424 4.233 30 40 GIEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 6956263 WRCIPLGUPAJBJE-BUVRLJJBSA-N 389.455 4.416 30 40 GIEB C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC4 680188 ZTIHXGLBTVWQFY-UHFFFAOYSA-N 394.525 4.252 30 40 GIEB Oc1nc2cc(Cl)ccc2nc1/C(=N\Nc1ccccc1)[C@H](O)c1ccco1 104296461 WILMRFYKJJAKSX-WZGTUUFSSA-N 394.818 4.132 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3259694 QFTKYFUXFVQTNS-UHFFFAOYSA-N 397.390 4.162 30 40 GIEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCCCC3)o2)cc1 27992922 XJPPQURDMIOPAM-IBGZPJMESA-N 392.459 4.454 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C)cc1 16741390 AGENYXGEVXPINY-OAQYLSRUSA-N 391.467 4.466 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 3641105 ZOEWKPRTNKQIKP-GOSISDBHSA-N 379.843 4.472 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4699904 WYWANINOOPAZLQ-VFOOBRQFSA-N 387.892 4.320 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 6813277 ZZTABHCZISMLAO-HXUWFJFHSA-N 397.471 4.326 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OC 15015921 OEUQQNOVUPUVCA-DHDCSXOGSA-N 392.839 4.388 30 40 GIEB COCCn1c(SCCCC#N)nc2sc(-c3ccccc3)cc2c1=O 9175495 LDMYIQHHINEZHO-UHFFFAOYSA-N 385.514 4.167 30 40 GIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 19867100 YECVJGFDPDWYFK-OAQYLSRUSA-N 379.481 4.459 30 40 GIEB C=CCOc1ccc(Cl)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408934590 BKILIRLDEKFUQN-ZDLGFXPLSA-N 376.756 4.167 30 40 GIEB C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OCC)c1O 409065915 KZUVKBJCNSRKEI-UHFFFAOYSA-N 393.483 4.220 30 40 GIEB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 408626822 ISISXLJXMVYEFG-UHFFFAOYSA-N 379.894 4.025 30 40 GIEB COc1ccc(Cn2nc(OCc3cc(C(C)C)ccc3C)c(C#N)c2N)cc1 225848231 BWKAUTMVYLKFEN-UHFFFAOYSA-N 390.487 4.405 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369264 AKMGOLMVBIBATQ-LBSLFROMSA-N 382.548 4.386 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(C)c2)cc1 5324073 PDNHZLVOIXRKLL-JTSKRJEESA-N 386.455 4.011 30 40 GIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OC)c(O)c3)cc2c1C 40082002 AIOTXOSVIJDKKN-GQCTYLIASA-N 383.425 4.002 30 40 GIEB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 3229298 YLJBIVWOZMXECF-OAHLLOKOSA-N 399.450 4.027 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(F)c(Br)c1 5201261 MFERTLOLOOFWNG-NTEUORMPSA-N 377.238 4.480 30 40 GIEB C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCCC4)\c1ccccc1 13645012 ZWNIUWLEEUJKER-JJFYIABZSA-N 377.473 4.159 30 40 GIEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)cc1OC 32502131 OUFFPOHKIMXTHO-UKWGHVSLSA-N 395.455 4.189 30 40 GIEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757561 GMOHQDQFOIRLPK-UHFFFAOYSA-N 379.416 4.316 30 40 GIEB COC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614842 PJVUXKTVOIOLOO-RCCFBDPRSA-N 396.295 4.089 30 40 GIEB CC(C)c1ccccc1/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408959908 ACAHOSDMVWLMCT-MFKUBSTISA-N 389.499 4.374 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OC)cc1 6743280 FADUIHAZHDXJGQ-QFIPXVFZSA-N 389.455 4.139 30 40 GIEB C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 8992112 SPTUNCZENFJUMB-INIZCTEOSA-N 389.524 4.343 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 12553146 YNJWXDSEBFHACD-XXFAHNHDSA-N 391.682 4.247 30 40 GIEB Cc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)n(Cc2ccco2)c1C 13625155 IXSTUIRZTRKSGN-UHFFFAOYSA-N 383.835 4.289 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 15012748 KJNRNZURYASZKT-UNOMPAQXSA-N 397.427 4.083 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 17160210 YYINSBZDQBSPPT-OAQYLSRUSA-N 384.435 4.169 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)c3cc4ccccc4o3)n2)n[nH]c1=S 24757207 WHVBFBOUXXEWDL-UHFFFAOYSA-N 397.485 4.172 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccs1)Nc1nonc1N2 40283746 BUGIKRMWCVTBOD-APPDUMDISA-N 382.420 4.250 30 40 GIEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 97954024 KAHJLUZOQQPAIN-KRWDZBQOSA-N 380.492 4.351 30 40 GIEB Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 101651218 IDGYLGSOGMYVIV-QCLNCQLRSA-N 381.501 4.202 30 40 GIEB C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)c2cc(C(F)(F)F)ccc2S1 107071198 JVNNHTPUZTVEGU-KPZWWZAWSA-N 397.466 4.205 30 40 GIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224592302 UBFXABIYYUDXMC-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB COc1cc(C)c(C)cc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 599803693 GJCXJHMYZFVCNV-UHFFFAOYSA-N 379.460 4.011 30 40 GIEB C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC 953018957 LXLRPYWZCFQFTN-OAQYLSRUSA-N 379.456 4.423 30 40 GIEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 5338257 BVNRWAUTXFWFSM-UHFFFAOYSA-N 396.453 4.321 30 40 GIEB CC(C)=NN[C@@H]1S[C@@H](NN=C(C)C)N(c2ccccc2)N1c1ccccc1 5377853 CRWVFZWQQBBINS-PMACEKPBSA-N 382.537 4.199 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccs1)c1ccc(F)cc1 5483233 SDNFUEXEZGDVKV-AWEZNQCLSA-N 386.429 4.127 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1Cl 6855328 QSAHOPCECMEAFI-FQEVSTJZSA-N 394.858 4.348 30 40 GIEB COc1cc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1O 12466548 KPFUEDGYGAEQIJ-UWVJOHFNSA-N 395.271 4.137 30 40 GIEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@H](C)c1ccc(F)cc1 12520525 YXZZKHVZTVGKDP-CABCVRRESA-N 396.491 4.447 30 40 GIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C#N)cc1 12617917 GWRZRYZZYIAATB-NAFWUKNGSA-N 384.411 4.102 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 13208048 WYWMRGCVHBJYLY-LJQANCHMSA-N 392.386 4.213 30 40 GIEB COC(=O)c1ccc(CSc2nc(N3CCCC3)c3c(c2C#N)CCCC3)o1 20572761 PKRLTOLMRYZZFQ-UHFFFAOYSA-N 397.500 4.104 30 40 GIEB N#C[C@@H](NCCc1ccccc1)c1ccc([C@@H](C#N)NCCc2ccccc2)cc1 31870868 DNHPLIAHQDAIEX-CLJLJLNGSA-N 394.522 4.481 30 40 GIEB C[C@H]1C[C@@H](C)CN(Cc2csc(/N=C(\O)c3cc4ccccc4[nH]c3=O)n2)C1 32907439 RBKDCZWIOHKWML-OKILXGFUSA-N 396.516 4.099 30 40 GIEB COc1ccc(/C=N\Nc2ccccc2C)cc1CN1C(=O)c2ccccc2C1=O 38196365 PTJXVAAELUXHPU-QFEZKATASA-N 399.450 4.246 30 40 GIEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2)cc1 44858835 KCJVCPQBOGELMV-JOCHJYFZSA-N 398.466 4.466 30 40 GIEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(Cl)c1O 135934993 HITPHDHONRNZNT-HWWZCSJCSA-N 380.878 4.319 30 40 GIEB COC(=O)c1cccc(/N=C/c2ccccc2I)c1C 408550899 KNZVBAYIVUNIPJ-VCHYOVAHSA-N 379.197 4.137 30 40 GIEB COc1ccccc1C(=O)O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 408722609 MCAIEGFEPJYNLC-ATJXCDBQSA-N 390.395 4.407 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2Cl)c(C#N)c1C 2736262 MNIWGLFTLSNYGN-UHFFFAOYSA-N 375.881 4.316 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)c(OC)c1 5376444 AXCRLGPMZXXLBO-APSNUPSMSA-N 392.839 4.388 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)ccc1O 5556969 GULPOIJDCBRBII-ZROIWOOFSA-N 375.247 4.046 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 7136068 RQOZTCFMMCPRPH-UHFFFAOYSA-N 395.802 4.204 30 40 GIEB CC(C)n1cc(C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)cn1 12220645 PJOMVNUJPNUAFU-UHFFFAOYSA-N 386.499 4.497 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(Cl)cc1 33757634 CLNSNINTBMMMEP-NNPDONQDSA-N 383.904 4.403 30 40 GIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 34828460 KIAGMEGXWGZTSQ-ZDLGFXPLSA-N 394.225 4.211 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 35289106 WAQJNRBVFDYFLR-UHFFFAOYSA-N 381.432 4.375 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225774961 DUBLUDYLBJNAIY-UHFFFAOYSA-N 382.435 4.173 30 40 GIEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)OC2=O 936601 XMNOZHGPEKGZRT-DHIUTWEWSA-N 375.424 4.253 30 40 GIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1 3563056 AQWPRTKSCMISES-MRXNPFEDSA-N 378.501 4.101 30 40 GIEB COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(Br)c2O)cc1 4805177 ATIOPZIMMBXWPT-RMKNXTFCSA-N 393.233 4.077 30 40 GIEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3)n2)cc1OC 5024204 PLPBEZDMRHZBLE-JLPGSUDCSA-N 378.457 4.476 30 40 GIEB N#CC(C#N)(Cc1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl 5673589 KMIYRISCSSFIIB-UHFFFAOYSA-N 380.713 4.190 30 40 GIEB O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1 6343405 BACWFGYXHVVZMA-ZNTNEXAZSA-N 394.471 4.020 30 40 GIEB COc1ccc(NC(=Nc2nc(C)cc(C)n2)Nc2ccc(OC)cc2)cc1 13940501 GOOXUNUXDCULML-UHFFFAOYSA-N 377.448 4.322 30 40 GIEB N#Cc1ccsc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 32957697 FWDOFJPTWUOMRY-UHFFFAOYSA-N 388.452 4.187 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611524 VGOXJEHEWOBZDW-UFWORHAWSA-N 397.287 4.490 30 40 GIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)cc1C 59301879 FMYMPDJDGGURKI-DZBQEORWSA-N 396.468 4.047 30 40 GIEB CC/N=C1/S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1CC 408931825 QTTFWKWZDLFECQ-DTJWLBJESA-N 378.295 4.243 30 40 GIEB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)c1 2632391 UQIRGWNSMPVHKE-UHFFFAOYSA-N 381.486 4.193 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 3098460 TUPJSKAHXISOSB-FQEVSTJZSA-N 396.443 4.049 30 40 GIEB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCC#N 4613901 BXJFHWUSUZXVCU-UYRXBGFRSA-N 375.428 4.102 30 40 GIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4814156 AEEFYCQCQQMPBH-MGPUTAFESA-N 376.847 4.347 30 40 GIEB COc1cccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c1OC 4944879 INPFAZYWPRGYTP-QGZVFWFLSA-N 377.440 4.231 30 40 GIEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1ccc(Cl)nn1 4964347 UQSHILHNMSSDJB-UFWORHAWSA-N 381.654 4.377 30 40 GIEB N#CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7364052 POKPMVPURWSCNW-QFIPXVFZSA-N 399.406 4.089 30 40 GIEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1C 7759191 SFUOJKVOXXMJCZ-UHFFFAOYSA-N 392.415 4.090 30 40 GIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccccc1Cl 13729351 NRQPSLLPANMXGV-UHFFFAOYSA-N 381.888 4.176 30 40 GIEB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)c1 32907515 GUVBDNYEUFIFTI-UHFFFAOYSA-N 388.492 4.133 30 40 GIEB CCSc1nncn1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611437 PNQJUCBPZGXIBF-AWQFTUOYSA-N 376.869 4.406 30 40 GIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@H]1C)N(C)CC3)OCO2 95344626 FKYITSOBJSHMDA-KVOUSDQISA-N 397.515 4.461 30 40 GIEB CCCCCCCCNC(=O)/C(=N\OC(=O)Nc1cccc(Cl)c1)C(C)=O 100167915 BTQIDRFTDQXVNC-QJOMJCCJSA-N 395.887 4.310 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 101231762 IUIRWKDGIWMWKB-HVESIFNPSA-N 398.256 4.057 30 40 GIEB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@@H]12 104085825 IPTGADYNRWJWSJ-XQUALCHDSA-N 388.463 4.134 30 40 GIEB Cc1ccc(-c2nc(CN3C(=O)CS/C3=C/C(=O)C(C)(C)C)co2)c(C)c1 104553805 PXZVSRPFKSJJNR-DJKKODMXSA-N 384.501 4.490 30 40 GIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409104145 FCIMWZAVRZSGFB-VXLYETTFSA-N 380.389 4.056 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 823546 APYZXHVQSCBSJN-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 2360135 DRNMDCULEAJLAY-RCRZSSQQSA-N 385.464 4.078 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 2454156 AZBRVGLYMARRJJ-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB COc1ccc(-c2[nH]/c(=N\N=C\c3ccc(OC)c(OC)c3)sc2C)cc1 4857259 ZUKZLBVDLUZDOF-CIAFOILYSA-N 383.473 4.012 30 40 GIEB N#Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 8787865 HSNDRSDBSZGQTB-UHFFFAOYSA-N 397.463 4.176 30 40 GIEB N#Cc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 9874495 IWUXXBPXJQYHSM-UHFFFAOYSA-N 375.501 4.027 30 40 GIEB C=CCc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1O 12345818 HIYJVQMRFXHXOQ-SVGJNIJCSA-N 379.500 4.144 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCCC2=O)cc1 12590790 GPKUTRYNMAOCOK-UHFFFAOYSA-N 395.462 4.282 30 40 GIEB C=CCn1c(-c2ccc(OC)cc2)nn(CN2CCc3sccc3C2)c1=S 12772849 CFQGYXOJEPEECR-UHFFFAOYSA-N 398.557 4.353 30 40 GIEB CC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 24756948 NJMOMEOYCDVWMZ-UHFFFAOYSA-N 375.449 4.368 30 40 GIEB CCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@@H](C)c1ccc(C#N)cc1 69349163 CXDGZTXZRKMKQS-PXNSSMCTSA-N 380.492 4.081 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409097150 HPZOGUROALGVAD-CPNJWEJPSA-N 381.453 4.497 30 40 GIEB COc1c(Cl)cccc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 528940354 VBMSEWNXVDDPEV-UHFFFAOYSA-N 385.851 4.048 30 40 GIEB Cc1cc(O)c(C(=O)C2=CSc3nnc(-c4ccccc4)n3N=C2)cc1Cl 988396 QNCQHQNUBCXAGG-UHFFFAOYSA-N 396.859 4.319 30 40 GIEB C=CCOc1cccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c1 2081169 BULIHIAPQVKYNS-ATVHPVEESA-N 384.229 4.358 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1C 2221711 OSVZRPHPHZAXTO-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CCc1cccc(CC)c1N1C(=O)CC(=O)N=C1SCc1ccc(C#N)cc1 5937721 UIQFHTFFIJSDQO-UHFFFAOYSA-N 391.496 4.236 30 40 GIEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7246394 JPTSORDOQPARRM-UHFFFAOYSA-N 386.300 4.379 30 40 GIEB COC(=O)c1ccccc1C(=O)[C@H](C(c1ccccc1)c1ccccc1)[N+](=O)[O-] 8205792 LYAMKHPZLQUGHE-NRFANRHFSA-N 389.407 4.133 30 40 GIEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCO3)o2)o1 8844553 CHQNNMLRKOMPQV-HNNXBMFYSA-N 379.416 4.285 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 11690441 SNDMMDCMXTYNSM-NVARDRTGSA-N 381.476 4.278 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(Br)cc1 12347872 VSENXBILTYKMCQ-ZDUSSCGKSA-N 388.265 4.078 30 40 GIEB COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1 12556157 ZXYSBPHATOHDPQ-CYBMUJFWSA-N 399.516 4.345 30 40 GIEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C 12825236 UBAYLUNJQHAELT-UHFFFAOYSA-N 385.518 4.054 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)cc1 16810043 AEICCBTYWNLBIQ-BKUYFWCQSA-N 379.456 4.249 30 40 GIEB biogenic COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 57525271 PIMGNAUQYQQLGO-CYBMUJFWSA-N 378.350 4.044 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCC#N 101532024 ZWHYIYULPOWPBK-ATVHPVEESA-N 396.244 4.158 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102045713 WSGNOKFXYZAWOH-SFHVURJKSA-N 391.858 4.384 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 102508296 HUIZTXNAHWXQCM-WOOAAIBNSA-N 399.874 4.107 30 40 GIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)c([N+](=O)[O-])c3)nc1-2 409045049 XWLFJINTDLLHRB-JMIUGGIZSA-N 381.413 4.390 30 40 GIEB C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccccc3Cl)N2C1=O 1626644 GJCMXDRHNNBPEY-DYZYQPBXSA-N 380.856 4.322 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccccc2)sc1C 102798574 NLYNVHPPWJGRSQ-IBOXJLQUSA-N 396.493 4.448 30 40 GIEB Cc1ccc(C(=O)Oc2ccccc2C=Nn2c(C)nc3ccccc3c2=O)cc1 409148456 ZGAKVFVNFXSBJC-UHFFFAOYSA-N 397.434 4.115 30 40 GIEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)C(c1ccccc1)c1ccccc1 5354166 WTBOPFAQCZCBHX-QNGOZBTKSA-N 383.447 4.303 30 40 GIEB biogenic C=CCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 11286477 RWMWUTZMCINODT-UHFFFAOYSA-N 399.240 4.485 30 40 GIEB C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC 13424440 DRSXQNIMICRCFU-UYRXBGFRSA-N 396.443 4.128 30 40 GIEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O 17085142 MKLAATYBHYUKQH-MEUCICPISA-N 381.929 4.094 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 103098390 UGLDBWLEYXAIPN-WOOAAIBNSA-N 383.419 4.056 30 40 GIEB COc1ccc([C@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@@H]2C(C)=O)cc1 864371 VVHLLIDVSGDNCN-VXNXHJTFSA-N 393.483 4.094 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1F 974279 BMWNXJGSLDSXRS-CCMJGWDWSA-N 380.419 4.057 30 40 GIEB C=C(Cl)COc1cc2oc(=O)c(CCC(=O)OCC)c(C)c2cc1Cl 2359465 DQRDBBSDQFXICO-UHFFFAOYSA-N 385.243 4.382 30 40 GIEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCn1ccnc1 2432822 ULUYZWMLARCABI-UHFFFAOYSA-N 399.454 4.491 30 40 GIEB CCOc1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4175365 FUXJWKPCAZHXMB-LFVJCYFKSA-N 392.440 4.277 30 40 GIEB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1ccc(Cl)nn1 5444658 KBVJXSZGJJPISG-HYARGMPZSA-N 395.898 4.060 30 40 GIEB COc1cccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)c1 5529834 BFJZSFUXLDCVQC-XNTDXEJSSA-N 389.274 4.349 30 40 GIEB C=CCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 6141234 LRAOPKRGPAUNJW-UHFFFAOYSA-N 377.263 4.078 30 40 GIEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6295381 XAJJNDMUTNBELM-GOSISDBHSA-N 385.872 4.159 30 40 GIEB COc1ccc(-n2c(C)cc(/C=N\NC(=S)Nc3ccccc3)c2C)cc1 6961843 RIILTBWVIUXAJT-HMAPJEAMSA-N 378.501 4.423 30 40 GIEB N#Cc1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 7947287 URELQSJSMUVNRE-HXUWFJFHSA-N 380.494 4.234 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1C1CCCCC1 9457286 MHKYTADQCZPLLP-OAHLLOKOSA-N 376.570 4.441 30 40 GIEB O=C(NC1(C#Cc2cnc3ccccc3c2)CCCCC1)c1n[nH]cc1Cl 12127572 IVJQZFRERWYZPL-UHFFFAOYSA-N 378.863 4.096 30 40 GIEB Cc1ccc(C)c(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 17250695 CZDWERBDKLSSST-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB CN(Cc1ccccc1C#N)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 23162394 WUDYILQLUXSMMI-UHFFFAOYSA-N 388.798 4.051 30 40 GIEB CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC 98050492 MCPUIUYKDPCFLL-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036299 FQILJBHAEFTVJK-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB C=CCOc1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260735382 HAQNHDHHWUQCEJ-QGZVFWFLSA-N 381.545 4.379 30 40 GIEB Cc1cccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 3081565 HYLPGKDUKGVONA-KGENOOAVSA-N 396.424 4.422 30 40 GIEB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 3247189 NQVMSGIXYMIHOJ-OXVFXORMSA-N 397.474 4.402 30 40 GIEB C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4413749 ABHPKNJFLHLWRU-UHFFFAOYSA-N 393.468 4.113 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 4888990 DRNMDCULEAJLAY-JCAVJTNVSA-N 385.464 4.078 30 40 GIEB COc1cc(C(=O)N=C(c2ccccc2)c2ccccc2)cc(OC)c1OC 5257573 VFUXXLTUFFVNJB-UHFFFAOYSA-N 375.424 4.390 30 40 GIEB C=C(C)[C@]1([C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 16607782 MPHZLOIHMMVPQQ-REWPJTCUSA-N 386.455 4.011 30 40 GIEB COc1cc(/C=N/Nc2cc(C)nc3ccccc23)cc(Br)c1O 41127743 APGOUVWXPSSPIC-KEBDBYFISA-N 386.249 4.466 30 40 GIEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)C(=O)C2=O 100868484 LYYBYAIJZIINMI-DNQXCXABSA-N 387.435 4.095 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)cc1Cl 223749155 KTGKECSATSDPIM-KQWNVCNZSA-N 393.846 4.205 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 408752893 LORZWJYFODHRKD-RQZCQDPDSA-N 378.413 4.276 30 40 GIEB CCN1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)SC1=Nc1ccccc1 409074885 NSJPQJFZSNNEHR-PKHMCHNDSA-N 382.441 4.048 30 40 GIEB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 409230394 CVFHUADTNVGDCG-LPYMAVHISA-N 396.450 4.059 30 40 GIEB C=CCc1cc(/C=C2\SC(=S)N(CCC)C2=O)cc(OCC)c1OC 409339242 GAXXTFVAXHAPAV-VBKFSLOCSA-N 377.531 4.434 30 40 GIEB Cc1ccc2c(c1Br)CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C2 595543197 ZVJHPHRWVXVSOM-ZDUSSCGKSA-N 384.277 4.416 30 40 GIEB COc1cc(C(=O)Nc2oc(-c3ccc(C)cc3)cc2C#N)cc(OC)c1OC 948981 MHZBBIGVJIVLGV-UHFFFAOYSA-N 392.411 4.405 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C#N)c1C 996645 USHRAQSTNWRPEY-HZPDHXFCSA-N 381.501 4.152 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(F)cc1 2199180 DVMFBXITTCLCLM-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB CCCCCCCCNC(=O)c1cc(C(=O)c2cc(C)ccc2O)coc1=N 3350568 NFDZHXQXSWHUFI-UHFFFAOYSA-N 384.476 4.094 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cc(OC)ccc1OC 4918652 GFRHDHSAMZTCMY-KNQAVFIVSA-N 398.430 4.162 30 40 GIEB Clc1ccc(N2CCN(/N=C\c3ccccc3Br)CC2)cc1 5009051 QIPKNCUMXAQLIT-MOSHPQCFSA-N 378.701 4.259 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 5072588 VMZPBDAZUVNDHX-HNNXBMFYSA-N 389.846 4.211 30 40 GIEB CCN(CC)CCO/N=C1\C[C@H](c2ccc(OC)c(OC)c2)Oc2ccccc21 5567610 OZKALSSMVORYTB-KZTRRMFKSA-N 398.503 4.290 30 40 GIEB CCc1ccc([C@H](NC(=O)COc2ccccc2C#N)c2cccs2)cc1 8062289 UOUSYFDSQOOKKY-QFIPXVFZSA-N 376.481 4.467 30 40 GIEB CCc1ccc(/N=C/c2cc(I)c(O)c(OC)c2)cc1 8084414 UJQDMEIYDXHERT-VCHYOVAHSA-N 381.213 4.318 30 40 GIEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2cccc3ccccc23)cc1 8664760 UYVLLYAKGNDQCP-KRLZMICPSA-N 389.480 4.314 30 40 GIEB O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 20330127 BWOXFNCOYASJSA-HXUWFJFHSA-N 399.402 4.168 30 40 GIEB C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 65513831 ZKPXVHYASDNEGH-DLBZAZTESA-N 385.504 4.154 30 40 GIEB O=S(=O)(Oc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)c1ccc(F)cc1 100413200 IGGCVADTJVBJRR-WSDLNYQXSA-N 399.399 4.073 30 40 GIEB CS/C(=N/C(=S)N(C)C)N(c1ccccc1)c1nc(N(C)C)s[s+]1 104276804 CACVYLGVXIOLDW-JQIJEIRASA-N 398.628 4.255 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 3073720 JMOIRWPQAWNSJQ-NRFANRHFSA-N 378.516 4.303 30 40 GIEB Cc1cc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C#N)cc2c1 4849161 SQMCKXMEISTCSP-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB COc1ccc(C(=O)[C@@H]2O[C@@H]2c2csc(C)n2)c(OCc2ccccc2)c1 5748709 GGYZYJRALXQSLM-RTWAWAEBSA-N 381.453 4.362 30 40 GIEB C=CCN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C(C)=O)cc1 7973333 RYPZBUIICCCINB-UHFFFAOYSA-N 379.481 4.419 30 40 GIEB Cc1cccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1C 17207112 WQSBWDKDFRHZFC-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 18196479 SNHNUUQBMVGOIU-SJCJKPOMSA-N 393.468 4.144 30 40 GIEB C[C@H]1CCc2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C1 37143002 QGYLHWXOPWRVQH-KRWDZBQOSA-N 393.556 4.093 30 40 GIEB C=C(C)Cn1nc(SC)n2c(=O)c3c(-c4ccc(OC)cc4)csc3nc12 40287748 KXMBYFYZAJRHLM-UHFFFAOYSA-N 398.513 4.079 30 40 GIEB N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CSCCS3)cc2)cc1 79059512 UVCKWHRRRRQWRQ-SFHVURJKSA-N 385.514 4.321 30 40 GIEB O=C(CON=C1CCC2(CC1)OCCO2)N(C1CCCCC1)C1CCCCC1 84543956 LRFZLGDPMWLVLD-UHFFFAOYSA-N 392.540 4.170 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N/OC(=O)Nc1cccc(C(F)(F)F)c1 100950698 ITWMGFYSJCUCHS-BUVRLJJBSA-N 390.321 4.033 30 40 GIEB O/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1 216811016 FKWVZSKZOKDHBV-IUXPMGMMSA-N 387.604 4.332 30 40 GIEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OC 409043973 NGYYTOSHIPZQGC-HCDFXORVSA-N 396.690 4.461 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3nc(C)cs3)c(C#N)cc2c1 1354854 FMXYMHBQGOQHIB-UHFFFAOYSA-N 384.486 4.001 30 40 GIEB N#Cc1ccccc1NC(=O)COc1ncnc2scc(-c3ccccc3)c12 3351521 IXDWZCDMSVMQHH-UHFFFAOYSA-N 386.436 4.247 30 40 GIEB COc1ccc([C@H](C/N=C/c2c(O)ccc3ccccc23)N2CCOCC2)cc1 6649124 BXYHKQYJYRKYNT-AJPHYDNBSA-N 390.483 4.046 30 40 GIEB N#Cc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc1 7976694 GUZSNUPKBMTRQV-UHFFFAOYSA-N 398.182 4.390 30 40 GIEB Oc1ccc2ccccc2c1/C=N\N1CCN(Cc2ccccc2Cl)CC1 13633119 AQTNIGVZOOKFSI-IWIPYMOSSA-N 379.891 4.351 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)C1=C(C[C@H](C)CC1=O)N2 22608469 JXXPFDRGZNECTR-GTNSWQLSSA-N 386.546 4.380 30 40 GIEB C=CCN(CCc1ccco1)CC(=O)Nc1ccc(C)cc1Br 95466197 KKPLSGQULWHQPC-UHFFFAOYSA-N 377.282 4.020 30 40 GIEB C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 104367844 MTGBPUOIZCICHX-BOPFTXTBSA-N 378.453 4.387 30 40 GIEB O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1ccc(F)cc1 2318252 NSARFAVUBODAKC-VCASSKIBSA-N 377.444 4.444 30 40 GIEB COc1cc2nc(S[C@@H](C)C#N)n(CCC3=CCCCC3)c(=O)c2cc1OC 3455332 CNAMBDHNANGXFN-AWEZNQCLSA-N 399.516 4.308 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 4436355 YBDQACIIKPXBRL-KRWDZBQOSA-N 384.505 4.057 30 40 GIEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=S)Nc1ccccc1 12654302 JOPHOCUZBQNWSK-UHFFFAOYSA-N 380.473 4.130 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccccc2Cl)cc1 16310053 KTKOMKXUFHPWPQ-LSDHQDQOSA-N 384.888 4.379 30 40 GIEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc2c(c1)OCO2 19832536 YGRNFNBJDRWLEN-UNMCSNQZSA-N 399.446 4.458 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 30809263 DWBSBILEYNPGGM-CZPFXKHOSA-N 393.241 4.376 30 40 GIEB Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)cc1 35897683 QGYCFTTWTKCJOW-PDWMJMLSSA-N 392.480 4.365 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 102925423 MVRKFYDKCQYBSF-HOGKFDNTSA-N 398.462 4.320 30 40 GIEB C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)/C(=N/c2ccc(Cl)cc2)S1 105070792 QIJKJSWGZQWUSM-UICJJRBLSA-N 388.876 4.376 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1C 193405530 FPQQTRMGGOTBQM-WMZOPIPTSA-N 384.549 4.227 30 40 GIEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)cc1 408784859 VXAVAAZQHFNODK-VLOXRPPESA-N 388.496 4.327 30 40 GIEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NCCc1ccccc1 408796168 DUFRFFLFRDRCLR-QQXSKIMKSA-N 376.431 4.314 30 40 GIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S1 408856016 HUSAPGZIFNBJTM-YVLHZVERSA-N 383.429 4.112 30 40 GIEB COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(OC)c1 4944945 RNIOJNOESRZPAG-GOSISDBHSA-N 395.430 4.371 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3F)cc21 8959542 JMFUOKWHGONKBC-UHFFFAOYSA-N 386.398 4.155 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102503913 DDTANCIXFMLXGD-NHFXJNLRSA-N 389.382 4.158 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 33397594 SKIICEXDXCHFEE-JIIKEMMSSA-N 381.501 4.248 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 27430550 RNTVEMBMXUXGLJ-FYAUDMOQSA-N 397.559 4.355 30 40 GIEB biogenic N#CCCN(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 3318167 QKYURVIWDHHKFP-UHFFFAOYSA-N 391.254 4.026 30 40 GIEB C=CCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1nc(-c2ccccc2)cs1 16050548 HOCSVPODKPQDJD-UHFFFAOYSA-N 387.464 4.484 30 40 GIEB COc1cccc([C@H]2N/C(=N\c3cccc(C)c3C)N=C3N=C(C)C=C(O)N32)c1 9090077 PFKGCOHEOFWXPB-FQEVSTJZSA-N 389.459 4.133 30 40 GIEB CC#CCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 95997055 ZZXRDBXMULHOEL-UHFFFAOYSA-N 392.528 4.016 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(C)(=O)=O)[C@H]2c1ccccc1 21722782 UAGWPAXCMOLXFQ-NRFANRHFSA-N 396.512 4.263 30 40 GIEB C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@H]2C(=O)/C(=C/c3ccco3)CC[C@H]12 4533308 ZSHIOALVDOKIOB-JDHQRIJOSA-N 384.516 4.216 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 657401 KBEMWAXUMLCNAR-OEAKJJBVSA-N 398.459 4.026 30 40 GIEB Cc1c(/N=C/c2ccc3c(c2)C(C)(C)[C@H](C)N3C)c(=O)n(-c2ccccc2)n1C 992611 SIIHVDLKAISAJM-STPJHCLOSA-N 388.515 4.351 30 40 GIEB CC(C)C(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 1400750 LNNXWZDCORUHKT-XLNRJJMWSA-N 391.254 4.444 30 40 GIEB C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC=C)cc1 2705537 SPCYXEXHAGYYJS-GOSISDBHSA-N 381.453 4.077 30 40 GIEB COc1cc(/C=N/c2nnc[nH]2)ccc1OCCOc1cc(C)ccc1C(C)C 4511818 PSKUTASNEPMEGV-YDZHTSKRSA-N 394.475 4.454 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(F)c1 4736328 GSDXDXNKDJPBJR-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB CCCCc1cc(=O)oc2cc(C)cc(OC/C(O)=N/Cc3ccccn3)c12 5245947 VTMHPJUBXSSSMM-UHFFFAOYSA-N 380.444 4.375 30 40 GIEB Sc1nnc(-c2ccccc2Br)n1/N=C/c1c[nH]c2ccccc12 6062605 WVCVDYLFXGHGDI-KEBDBYFISA-N 398.289 4.360 30 40 GIEB C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2sccc2c1=O 24767277 RTDRVGWUCMJEFG-JTQLQIEISA-N 376.507 4.178 30 40 GIEB C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N(CCC#N)c1ccccc1 32608070 MDQFNPMNPYWPEC-ZDUSSCGKSA-N 389.550 4.176 30 40 GIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)C3CCC3)c2C#N)C1 39995057 POCOGHQNDKSXQS-CQSZACIVSA-N 388.533 4.443 30 40 GIEB CCCCCCCCCCCCNC(=O)/C=C\C(=O)N(CCC#N)CCC#N 100932718 GXYSYQZMYJDQEN-PFONDFGASA-N 388.556 4.236 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102931960 HAMLLXBMNDCGAF-WOOAAIBNSA-N 390.826 4.361 30 40 GIEB CC(=O)OC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@H]2C1=O 118931514 ARFVBIQCDSDJCU-VQYYWAOGSA-N 388.504 4.197 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3cccc(Cl)c3)o2)cc1 408867076 IQESKSJGLUSOMU-FSJBWODESA-N 395.846 4.247 30 40 GIEB CC/N=C1/S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1CC 408929876 PECFTZPRDWPMKK-SQNOIRBYSA-N 389.702 4.120 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Br)c(C)c1 409221323 OMYZDJJVACHTFD-FYJGNVAPSA-N 389.293 4.353 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 4616612 JKSUAVXUCNHJKT-XNTDXEJSSA-N 379.865 4.195 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(O)c(O)c1 4725941 FSUGMDLVMBFUGI-IBGZPJMESA-N 387.435 4.035 30 40 GIEB Cc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4945115 DWSSTSHOVUXMSV-MWTRTKDXSA-N 395.466 4.484 30 40 GIEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccc(C)cc2C)cc1 5072129 FEVYXGUIFIEGRU-PDSQJMCPSA-N 381.501 4.166 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769182 BRGCQOHAKVPIIK-YPMLDQLKSA-N 384.411 4.034 30 40 GIEB N#CCCn1cc(/C=C/C(=O)NCc2cnn(-c3ccccc3)c2)c2ccccc21 10488214 FEKVMFDQWXVSBJ-VAWYXSNFSA-N 395.466 4.070 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 12799549 IAOAGZOBDQYBJI-MRXNPFEDSA-N 385.876 4.159 30 40 GIEB O=S(=O)(/N=C(\Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 16777057 MIEXXFLHCCMOBH-UHFFFAOYSA-N 395.670 4.395 30 40 GIEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2 18219446 BJXAUTYNWKEAGR-XOBRGWDASA-N 392.846 4.053 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N/c1cccc(Br)c1 100992490 GFDPLQQIZVPZPI-DEDYPNTBSA-N 375.266 4.045 30 40 GIEB Cc1cc(/C=N/NC(N)=S)cc(C)c1OCc1ccc(Cl)cc1Cl 408858324 RTQRPGJIBLCLJI-ODCIPOBUSA-N 382.316 4.356 30 40 GIEB CCOc1ccc(/N=C2/S[C@H](Cc3ccc4c(c3)OCO4)C(=O)N2CC)cc1 409144525 KLPZBSJKAYJYLD-XKXPVHLMSA-N 398.484 4.008 30 40 GIEB N#C[C@@H](C(=O)c1ccc(CN2CCSCC2)cc1)c1nccc2ccccc12 554328543 ZPXJDNDFIVJXEJ-OAQYLSRUSA-N 387.508 4.274 30 40 GIEB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)cn1 585295101 ZZWZPQITZIMXQO-JOCHJYFZSA-N 395.470 4.305 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 4452050 SOSSBNNGHMHKIX-UHFFFAOYSA-N 392.843 4.247 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(SC)cc3)ccc2c1=O 12038940 YALZAYZYKZOACZ-UHFFFAOYSA-N 383.498 4.219 30 40 GIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CC(C)C 13693191 TURPYKREQAWYAO-UHFFFAOYSA-N 388.533 4.417 30 40 GIEB N#Cc1c(SCCc2ccccc2)nc(N2CCOCC2)c2c1CCCC2 19939681 MFWSYBLTILBZAZ-UHFFFAOYSA-N 379.529 4.003 30 40 GIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 25539298 MNYWLRDZNAUTGK-HNSSHINMSA-N 391.206 4.482 30 40 GIEB Cc1ccc(/N=C2/NCCN(C(=S)Nc3ccc(C)cc3)CCS2)cc1 28114085 PHXYWALLWDOPMK-UHFFFAOYSA-N 384.574 4.326 30 40 GIEB NS(=O)(=O)c1ccc(-c2ccc(/C=C\C(=O)c3cc4ccccc4o3)o2)cc1 34982488 KJACQGSSYBVQJD-XFFZJAGNSA-N 393.420 4.236 30 40 GIEB Cc1cc(NC(=O)c2cn(-c3ccc(C#N)cc3)cn2)ccc1Br 49006544 KCWFMGAYYWPXGZ-UHFFFAOYSA-N 381.233 4.067 30 40 GIEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 104197981 SNEHGHGYMDUGQA-UYTDBDHRSA-N 398.390 4.048 30 40 GIEB [N-]=[N+]=Nc1ccc(C(=O)NCCn2ccc3ccc(Br)cc32)cn1 108514990 UBUIZSPWGOQNEZ-UHFFFAOYSA-N 385.225 4.171 30 40 GIEB CC[C@H](C)Oc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409071915 QNWHPZCHIOTFMT-KKBVUKDESA-N 378.816 4.275 30 40 GIEB CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1O 1408512 MZIWSAYKQQBRDH-UHFFFAOYSA-N 381.472 4.224 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 3166257 VXKGDCOMRDIQGL-IFMALSPDSA-N 380.440 4.023 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 3232585 UWLLYNGCIJZMGL-SOFGYWHQSA-N 375.211 4.060 30 40 GIEB COc1cc(/C=C/C(=O)OCCSc2ccc(C)cc2)ccc1OCC#N 5938473 YAFSGRISEHAEOF-UXBLZVDNSA-N 383.469 4.255 30 40 GIEB Cc1c(/C=C/c2ccc(-c3ccc(Br)cc3)o2)n[nH]c(=O)c1C#N 7324866 LVERFDQKWWIXQA-SOFGYWHQSA-N 382.217 4.143 30 40 GIEB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9049166 ZVSVQEIQZZEAIE-YCRPNKLZSA-N 388.423 4.352 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)C[C@@H](C(=O)O)c3ccc(F)cc3)c2C#N)C1 12727986 FGOGGVGAZLLZQN-XHDPSFHLSA-N 386.448 4.081 30 40 GIEB Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c(C)c1 13786362 CVIKVBKWGIJDMD-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1 38179915 ZQPDBSBMKLVNQC-DJKKODMXSA-N 379.254 4.451 30 40 GIEB C=CCN(C(=O)c1ccc2c(c1)NC(=O)CCS2)[C@@H]1CCc2ccccc21 40146938 BCPRPVUJLOFUBG-LJQANCHMSA-N 378.497 4.437 30 40 GIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccccc1 101460396 HJQRAQVDDBYNII-NKFKGCMQSA-N 375.457 4.309 30 40 GIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102668414 WBDTWXGFWNEUKI-YDJIHCHBSA-N 388.423 4.172 30 40 GIEB N#Cc1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 408623932 SVZAKXIWTMQIRS-UHFFFAOYSA-N 387.464 4.264 30 40 GIEB C/N=C1/S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N1C 408929499 KFMSETBWGOXRHC-LNLNDKCWSA-N 386.480 4.093 30 40 GIEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O 409072675 KKFHQXIHYCJDBZ-SPDSTVKKSA-N 393.512 4.065 30 40 GIEB CC1=C(C(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](c2ccccc2)NC(=O)N1C 12324388 MGUSQTUZCATBIP-OWSFEGEDSA-N 375.472 4.005 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12537510 VEBSZMUQMRHBLY-OAQYLSRUSA-N 378.501 4.172 30 40 GIEB CCOc1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 18167188 WNHKUMBTQSHFFL-LVWGJNHUSA-N 384.439 4.304 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OCC)c1 19923517 SWXHWRUUXYKZOL-YWZLYKJASA-N 389.492 4.292 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC/C(=C\c4ccco4)C(=O)[C@@H]3C[C@@H](O)[C@@H]12 25665573 ZSHIOALVDOKIOB-ZZZLTNCXSA-N 384.516 4.216 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1cccc(Cl)c1)C(C#N)C#N 95351612 DQYAHWDMAZWMIY-PMACEKPBSA-N 376.847 4.121 30 40 GIEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O 102417382 ROEYQSMKAWKEKD-SRZZPIQSSA-N 395.371 4.213 30 40 GIEB Cc1cccc(OCc2nc(SCc3ccccc3F)nc(N)c2C#N)c1 223685232 MHJZCJDNKDZAEP-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)c1 408963044 LVZLGZPRLNWOSM-CRURURDBSA-N 383.429 4.151 30 40 GIEB C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 513026491 BTWZRADNZKALCQ-FZKQIMNGSA-N 376.382 4.093 30 40 GIEB N#Cc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 918259 PAOCPKWLWQJMSY-UHFFFAOYSA-N 397.316 4.132 30 40 GIEB CC(C)(C)C1=CC(=C2C(=O)C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O 1633382 QDWPQDNQZPSIDU-UHFFFAOYSA-N 376.452 4.459 30 40 GIEB CCOC(=O)/C(=N/[C@H](C)c1ccccc1)NNc1cccc(C(F)(F)F)c1 3185054 IQDRLAKLXQUKLJ-CYBMUJFWSA-N 379.382 4.345 30 40 GIEB O=C1C=C(/C=C/c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])n1 4473773 LZKRUCBPPWCNKQ-SCYVGKGRSA-N 398.469 4.247 30 40 GIEB CCCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 8435554 WAYKNZVKQOGHFW-UHFFFAOYSA-N 379.460 4.325 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 8958726 PANBOSIFEULESF-UHFFFAOYSA-N 398.890 4.459 30 40 GIEB COc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1 9051277 FCEUMJSCWSMMHS-ODLFYWEKSA-N 382.412 4.032 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)o2)cc1Cl 101021106 SAQHNUNQEJAHMU-CSEDNJKKSA-N 380.831 4.049 30 40 GIEB CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)c3ccccc32)cc1 103748073 UVGIOYNZUIXEPK-RELWKKBWSA-N 387.888 4.481 30 40 GIEB C=CCc1cc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)ccc1OC 224142261 REHILPXQXNWVEV-UHFFFAOYSA-N 381.457 4.203 30 40 GIEB N#CCSc1ccccc1NC(=O)COc1ccc(Br)cc1F 3408343 ISZZBLBIIGSRAU-UHFFFAOYSA-N 395.253 4.221 30 40 GIEB Cc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 4620849 RIOBFOUSRSPMGD-XQNSMLJCSA-N 387.491 4.360 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 5429417 HJMBNNCEQIQFJH-UHFFFAOYSA-N 398.806 4.127 30 40 GIEB N#Cc1c(NC(=O)CSc2ccc3c(c2)OCCCO3)sc2c1CCC2 6436773 DOJVCJNHYCLVPX-UHFFFAOYSA-N 386.498 4.001 30 40 GIEB O=c1oc2ccccc2cc1-c1cs/c(=N\N=C\c2ccccc2Cl)[nH]1 16945690 XISIYVMTYZMATQ-UFFVCSGVSA-N 381.844 4.438 30 40 GIEB COc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19682495 NZKNVDCWLGGGHM-NLRVBDNBSA-N 383.495 4.417 30 40 GIEB COc1cc(/C(C)=N\N2CCN(Cc3cccc4ccccc34)CC2)ccc1O 20129757 XHRTUMYFQFTYTA-BWAHOGKJSA-N 389.499 4.096 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 71975973 FLKDVFJPSUCPGY-UHFFFAOYSA-N 385.470 4.225 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 100424919 AEJNCFNVFYDMSE-VXKWHMMOSA-N 392.478 4.405 30 40 GIEB O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2-c2ccccc21 100485641 JHMDQHCULIUOPA-ZBJSNUHESA-N 388.339 4.183 30 40 GIEB C=CC[C@H]1C=CC[C@@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 169682776 SBHWYMPHTLLVGA-YNEHKIRRSA-N 375.328 4.332 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3s2)c(Br)c1 408591305 SUDSKAZMBKOXPC-LZYBPNLTSA-N 377.223 4.413 30 40 GIEB C/N=C1/S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1C 408930412 WSTZFSXOKLRRJC-UOJKDHGMSA-N 377.263 4.241 30 40 GIEB COC(=O)c1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243099 JQXJIGTYBCMYPL-UHFFFAOYSA-N 382.178 4.124 30 40 GIEB C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(O)c1 2329985 VHFCQUVMAAOOLG-GOSISDBHSA-N 381.815 4.192 30 40 GIEB CC1(C)Cc2c(sc3nc(SCCC#N)n(-c4ccccc4)c(=O)c23)CO1 2346865 YSVSYDRFFJZLCY-UHFFFAOYSA-N 397.525 4.304 30 40 GIEB CCCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CCC)n2c(C)nnc2S1 4518303 KQMSNANCAPMDBI-UHFFFAOYSA-N 384.505 4.003 30 40 GIEB C=CCn1nnnc1NCc1c(OCc2ccccc2F)ccc2ccccc12 6856382 VJUNKLKFFLRZOC-UHFFFAOYSA-N 389.434 4.343 30 40 GIEB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)Nc1sccc1C#N 12823350 KOHZHGHVDYSTSU-ZPMKCOPCSA-N 399.476 4.167 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608166 KZSPSGRMCGXNHP-RFAUZJTJSA-N 394.422 4.287 30 40 GIEB CN(C)CCCC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 95452171 GGTPLKABALENNI-UHFFFAOYSA-N 375.516 4.419 30 40 GIEB CCC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 100229420 ODOFYPRVKSLVEI-UHFFFAOYSA-N 382.226 4.464 30 40 GIEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc([N+](=O)[O-])o1 408785340 YOTURSMWFKZGPC-POHAHGRESA-N 384.200 4.386 30 40 GIEB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 20955984 JFHFQNMLEKGTMY-NRFANRHFSA-N 395.478 4.308 30 40 GIEB CCc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)cc2c1 4848968 HDLHKVMTVACNEO-UHFFFAOYSA-N 390.464 4.415 30 40 GIEB C=CCn1c(SCc2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 21088342 XSHNURKBNZPKCV-SFHVURJKSA-N 383.448 4.408 30 40 GIEB N#Cc1c(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)sc2c1CCCC2 2779372 VGWSEMKJIBNGLK-UHFFFAOYSA-N 390.280 4.202 30 40 GIEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106686546 RKSRPRVMUZWFKB-BOPFTXTBSA-N 384.844 4.479 30 40 GIEB Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 57741185 YQDXQABCJVFSIE-PRHODGIISA-N 384.789 4.084 30 40 GIEB C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 36391825 NSTQSQCBZNTYLE-RTBURBONSA-N 391.515 4.016 30 40 GIEB Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1C 2317629 AHEIIOQEHVBKLE-DVCONVQISA-N 385.464 4.033 30 40 GIEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 6166042 CNLCLQLMQZEAMO-ODLFYWEKSA-N 392.363 4.132 30 40 GIEB biogenic C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1F 16741386 PCPMHFHEZXCQBX-HXUWFJFHSA-N 395.430 4.297 30 40 GIEB COCCCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N\c1ccccc1 408932484 CISCIZFBWULNLY-HGRLKPHYSA-N 382.485 4.336 30 40 GIEB CCCc1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585293372 GBUMWKQDMKQXOF-LJQANCHMSA-N 393.516 4.458 30 40 GIEB N#CCSc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 48275729 KANLKEFTPUEMEM-UHFFFAOYSA-N 380.517 4.008 30 40 GIEB C=CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 14723965 AHEZNPNYTLRNSY-UHFFFAOYSA-N 378.453 4.414 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)Nc1nonc1N2 12409830 NJACRGHMINFQHK-APPDUMDISA-N 382.420 4.250 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2sc(C)cc2c1=O 784834 ANZVRHJHXRNJSS-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 4160949 BWHNDROEEVZXLJ-INIZCTEOSA-N 393.516 4.262 30 40 GIEB C=CC/N=c1/scc(-c2ccccc2Br)n1/N=C/c1ccccn1 103103417 XGYNUNWQRPKZBS-WUHDDMPHSA-N 399.317 4.343 30 40 GIEB N#Cc1cccc(C(=O)OCc2cccc(COC(=O)c3cccc(C#N)c3)c2)c1 3324773 GVVOCMXJVFEQNG-UHFFFAOYSA-N 396.402 4.144 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccccc1 3420196 RJFJTDOADCWJPF-UHFFFAOYSA-N 390.512 4.351 30 40 GIEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S1 6147554 TVJTVFZDVHLQDR-PDGQHHTCSA-N 398.484 4.166 30 40 GIEB Cc1ccc(CN2CCN(/N=C\c3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 28351338 NKLSKSQTTKYZOK-XKZIYDEJSA-N 386.883 4.017 30 40 GIEB C=CCSc1nnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 224232502 FXVFLKFKAAVBSU-UHFFFAOYSA-N 396.346 4.065 30 40 GIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S1)C2 5705974 LQFAYIHXQNLLRS-JJBQZOHDSA-N 398.488 4.357 30 40 GIEB O=c1oc2ccccc2c(O)c1C1=N/C(=N\N=C\c2ccc(Cl)cc2)SC1 17175497 SRJBDQQFADAFDI-PXRKGDIQSA-N 397.843 4.078 30 40 GIEB COC(=O)/C(C#N)=N/C(=C/C=C1/N(C)c2ccccc2C1(C)C)c1ccccc1 5390032 AWLYLESJISVDAJ-IMMLAUFYSA-N 385.467 4.477 30 40 GIEB CCC[C@]12C=C(OC)C(=O)C=C1O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 1592450 IXBQEKYFGIOCFL-VYALMSHHSA-N 388.460 4.203 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC1CCCCC1 2643311 QSBNNAIFWJRHGT-UHFFFAOYSA-N 394.496 4.315 30 40 GIEB CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1CCCCC1 3178442 FFKXCPZDKXSLIT-HMAPJEAMSA-N 377.794 4.133 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 4716071 LGUMMJQWRDPPBP-CQSZACIVSA-N 381.288 4.329 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 5047940 QSBRXOJBHSIBDV-ODLFYWEKSA-N 391.335 4.258 30 40 GIEB CC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 65567407 SBZYVNCPSAMUQW-QHCPKHFHSA-N 399.450 4.219 30 40 GIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 226333551 DLVZXCHQDRLSRA-UXBLZVDNSA-N 389.220 4.357 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408949338 BCXBZZNMCVKHHH-FRKPEAEDSA-N 387.027 4.342 30 40 GIEB Cc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1[N+](=O)[O-] 409106343 RKCPMJDRLGPEJX-APSNUPSMSA-N 380.154 4.030 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3cc(C)cc(C)c3)NC1=O)OCO2 409108042 VGDVOXOMPOTZEE-DJKKODMXSA-N 396.468 4.322 30 40 GIEB Cc1nc(Cl)nc([C@H](C#N)c2nc3ccccc3s2)c1Br 3128848 LVZMYAIWCYSECQ-QMMMGPOBSA-N 379.670 4.466 30 40 GIEB Cc1cc(Cl)ccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C 101651124 MTNFYUOFQQVUIM-UFIXSJTLSA-N 387.892 4.239 30 40 GIEB CCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(Cl)c(C)cc1O 55129755 DWIGKNLRTOMSDK-LVZFUZTISA-N 380.897 4.145 30 40 GIEB C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@@](C)(CC)OC2 870835 OVAHYNXVYRYJSP-GOSISDBHSA-N 382.551 4.029 30 40 GIEB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12554965 BMNXRKFDPYCAJN-CYBMUJFWSA-N 396.516 4.286 30 40 GIEB N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)nc1 23995264 ABKXTLJEROWWJM-UHFFFAOYSA-N 375.259 4.115 30 40 GIEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)c1ccco1 100740073 KNQVLKBTOHMGMM-UHFFFAOYSA-O 395.564 4.160 30 40 GIEB CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccs2)cc1 10036996 GOXZLNRKQDELKF-IBGZPJMESA-N 383.517 4.231 30 40 GIEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1 4285437 VXASHKVWZQRMMV-UHFFFAOYSA-N 394.500 4.254 30 40 GIEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 409339739 LNDPRRINTFEIEO-XDHOZWIPSA-N 376.437 4.360 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC 5210346 GHQYAKZDBZTTSS-RUDMXATFSA-N 377.234 4.371 30 40 GIEB C#Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 72285053 HWRJZEPYRCFOLB-IBGZPJMESA-N 387.405 4.083 30 40 GIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C 408913678 NILFRDQYSWQZCR-KRICTJEJSA-N 383.429 4.097 30 40 GIEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 213161656 CKEMZUWLGLJPAI-OCIPIQTLSA-N 376.481 4.495 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 9316559 JBICXHVGLXVNNF-XCLFUZPHSA-N 392.846 4.053 30 40 GIEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O 1106893 YANQHKPQYWCPNB-GIJQJNRQSA-N 384.863 4.016 30 40 GIEB COC(=O)c1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C#N)c1C 4537739 GQSAMIXRFKNDNX-UHFFFAOYSA-N 386.473 4.030 30 40 GIEB CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 5163415 AVDINEVWZALVEB-WOJGMQOQSA-N 396.856 4.247 30 40 GIEB N#C/C(=N/Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 5729152 OWYFZKRRFOCQNM-OYKKKHCWSA-N 392.633 4.223 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 5846504 YRGCRLHKRGIBGK-LDADJPATSA-N 396.424 4.396 30 40 GIEB CC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 6074080 LRDDBAJOQUHVPE-LVWGJNHUSA-N 382.423 4.108 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCOC)c1C 9073778 ZFZCPHKTKIOTQQ-UHFFFAOYSA-N 383.517 4.262 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 10267169 RBRURBMFJKTPJM-UHFFFAOYSA-N 381.379 4.200 30 40 GIEB C(=N/CCCCCC/N=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 18118356 ZWPDHGGXVIGYSN-RNIAWFEPSA-N 380.444 4.242 30 40 GIEB C=CCc1cc(OC)ccc1OCC(=O)Nc1cc(Cl)c(OC)cc1OC 24984254 LWDLJAOYWBJOJL-UHFFFAOYSA-N 391.851 4.112 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc(OC)c1OC 83921321 INIXDEZQJFJJMJ-NHCUHLMSSA-N 395.499 4.161 30 40 GIEB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(F)cc(C#N)cc1F 95410109 GSIBVRDBAHDJSQ-JTQLQIEISA-N 384.304 4.053 30 40 GIEB CC[C@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 100567781 XHWQPGMAHKBRBX-XMSRZWOKSA-N 384.392 4.135 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 102865862 HXSBSDKWKCMLNF-LFVOPCPISA-N 392.386 4.057 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C(=O)N1CC 408854548 ICTILNNQLLPKCF-VOSKWGSBSA-N 398.484 4.354 30 40 GIEB COc1cc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)cc(OC)c1OC 908333 NDQOLYNWBKIHKT-UHFFFAOYSA-N 378.384 4.096 30 40 GIEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c1 4944943 RRXFCSWQIMVWGH-MRXNPFEDSA-N 395.430 4.371 30 40 GIEB Fc1cccc(Cl)c1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 5626426 CKXNOZCOKFCOBR-UFFVCSGVSA-N 398.854 4.299 30 40 GIEB CN(Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 7977021 MVWFPSIVDHMABR-UHFFFAOYSA-N 376.504 4.373 30 40 GIEB N#CCCN(C(=O)CSc1nccn1Cc1ccccc1)c1ccc(F)cc1 8709774 ZMPUKGBVTWFNRU-UHFFFAOYSA-N 394.475 4.109 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 16788656 ZRPJNQDUAYZWKO-UHFFFAOYSA-N 393.516 4.264 30 40 GIEB CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1cccc(Cl)c1C#N 95443779 SPXQKDSVEAOPHN-CQSZACIVSA-N 380.819 4.097 30 40 GIEB Cc1cccc(CSc2nc(N)c(C#N)c(COc3cccc(C)c3)n2)c1 223685547 ZODCIWOVJCYYQW-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB CCn1cc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cn1 252500906 TYZZEJFRCCFJFQ-IFRROFPPSA-N 384.362 4.025 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)N1CC 408855575 GHCKEPIWVVHJGR-AQWOHROKSA-N 391.496 4.449 30 40 GIEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 408996084 KWKCUOVYINXNLU-JAIQZWGSSA-N 394.391 4.060 30 40 GIEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409136844 ZZJSXCDEFJDDPE-MTJSOVHGSA-N 397.459 4.231 30 40 GIEB C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 3873993 NSBRKSWSLRQPJW-VYXDICFBSA-N 396.487 4.354 30 40 GIEB in-man N#Cc1cccc(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 8192171 JQHKTKCJPQFDHN-KRWDZBQOSA-N 392.509 4.471 30 40 GIEB N#Cc1c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)sc2c1CCC2 10372896 DZSQOZQLYBKPTR-UHFFFAOYSA-N 381.457 4.467 30 40 GIEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2Br)NC1=O 13777017 PIPOKGPEFQCFDK-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C1 4313056 QXRWTYKHXFRJOY-SJLPKXTDSA-N 392.503 4.349 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(C)cc1 4814804 ITEREMNHXXOADI-CQSZACIVSA-N 399.545 4.324 30 40 GIEB C#CCn1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21 408900017 WTKCETISXRMWFU-UHFFFAOYSA-N 384.479 4.318 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 35635708 ARUYPSAYKHCXNE-UQNNAPNASA-N 382.500 4.041 30 40 GIEB in-vitro C=CCn1c(N2CCC(C(=O)Nc3ccccc3OC)CC2)nc2ccccc21 72347669 IFQPRHDZYNJECL-UHFFFAOYSA-N 390.487 4.086 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N 12823082 CNAZHCKKTMTVQN-UHFFFAOYSA-N 390.830 4.316 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1OC 832702 YKTRXNDOVJDMTN-IFMALSPDSA-N 387.435 4.110 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3)nc2cc1OC 1355191 ZYKPMBONHZVNRA-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB O=C(Oc1ccc(/C=N/c2cc(Cl)c([N+](=O)[O-])cc2O)cc1)c1cccnc1 4979540 OLUHQNLHLANULA-LSHDLFTRSA-N 397.774 4.319 30 40 GIEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 6561211 XVYBNTPBLIRZLF-UHFFFAOYSA-N 382.445 4.340 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1 12552321 GANHFUSIKWPIIC-UHFFFAOYSA-N 377.241 4.496 30 40 GIEB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(C#N)cc1)n2CC 12603660 YTCFBOROBSLLHN-UHFFFAOYSA-N 393.468 4.080 30 40 GIEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916042 CSBUEGHWYWGGEI-AKTGDTJBSA-N 380.532 4.306 30 40 GIEB C#CCOC(=O)c1ccc(OCc2ccccc2Cl)c(Br)c1 216818589 XOJBVAJFDBFDOC-UHFFFAOYSA-N 379.637 4.472 30 40 GIEB C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408768955 MXVXTSMCIBMJNB-FBHQFGEZSA-N 396.512 4.422 30 40 GIEB CCc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)s1 409134135 NHQWLMPHAOQXLN-ZROIWOOFSA-N 376.890 4.364 30 40 GIEB Cc1[nH]c2ccccc2c1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409308799 YYEOWCAIBKAUHZ-UHFFFAOYSA-N 395.260 4.139 30 40 GIEB CCOc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 1471612 NGVXZLQVYUIVNK-UHFFFAOYSA-N 381.501 4.270 30 40 GIEB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 13841715 UIPOXROFMWJQRO-FYJGNVAPSA-N 382.423 4.063 30 40 GIEB CC(C)=NN[C@H]1S[C@H](NN=C(C)C)N(c2ccccc2)N1c1ccccc1 16138680 CRWVFZWQQBBINS-WOJBJXKFSA-N 382.537 4.199 30 40 GIEB Cc1[nH]c2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2c1C 24830017 CLDHBTFUUGFHDZ-UHFFFAOYSA-N 386.499 4.005 30 40 GIEB COc1ccc(-c2nc(CSCC(=O)Nc3ccc(C#N)cc3)co2)cc1 31424470 LWFNGYMDDMFDFT-UHFFFAOYSA-N 379.441 4.094 30 40 GIEB N#Cc1ccc(CSCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)cc1 49604553 IQGMNTVEMVLXJW-UHFFFAOYSA-N 396.903 4.328 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)[C@@H]1c1ccccc1F 1076118 ZKSCLBARLUCSFZ-OAQYLSRUSA-N 392.430 4.143 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 4488262 KERRXZUYACANCR-WYRIXSBYSA-N 398.438 4.342 30 40 GIEB CCOc1cc(/C=N/c2ccccc2C)cc(I)c1O 5336068 NSIDBEABGORVLK-VCHYOVAHSA-N 381.213 4.455 30 40 GIEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(C(F)(F)F)cc1)NCC2 5425629 IVGQDHXOQNGTSL-WJDWOHSUSA-N 377.362 4.092 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC(N)=O)cc3)c2C#N)C1 6323217 YRFOLQWQJBSQSS-FCUAXUHVSA-N 395.528 4.385 30 40 GIEB CCOc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 6600732 ALNXKXMCKSCYKZ-LVWGJNHUSA-N 384.439 4.304 30 40 GIEB COc1ccc(C2=C/C(=C\c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 8672803 DVYWVWBSGXZRMS-CAPFRKAQSA-N 399.450 4.310 30 40 GIEB COc1cc2c(c(OC)c1)[C@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 18200751 ZDWVAQCQTQSDRO-HXUWFJFHSA-N 395.455 4.286 30 40 GIEB C=C(Br)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 58418212 BGVJDHCUBLZTDJ-UHFFFAOYSA-N 388.290 4.239 30 40 GIEB C[C@@H]1C[C@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C(=O)O1 84686118 WVDMZXPOJJZHID-OQPBUACISA-N 384.404 4.497 30 40 GIEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC 101284503 RVJOAASTXDGJSM-HXUWFJFHSA-N 398.507 4.479 30 40 GIEB O=C1Nc2ccc(C(F)(F)F)cc2/C1=N/Nc1ccc(Br)cc1 223745875 TYNSUAXIOUWAJN-UHFFFAOYSA-N 384.155 4.236 30 40 GIEB CC1(C)CC(=O)[C@@H]2[C@@H](c3ccco3)N(C(=O)CS)c3ccccc3N[C@@H]2C1 223862988 IQKJLPLQZHVKRW-JSNMRZPZSA-N 384.501 4.083 30 40 GIEB COc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225862788 FFALAMYXNJMAAW-UHFFFAOYSA-N 381.863 4.274 30 40 GIEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(-c2ccccc2)cc1 408741467 PXGSNZKNXNKCCU-UDIPQKBFSA-N 399.475 4.120 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(Cl)c1 408841860 IDFOEFBHGSWDKM-SFHVURJKSA-N 395.842 4.177 30 40 GIEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCOCC1 2428881 VOBZFSCFHHSCJF-UHFFFAOYSA-N 395.846 4.282 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)cc3C)C(=O)N2C)cc1 101650768 WRSZFGMVZALZFZ-CWJYSFMFSA-N 395.528 4.456 30 40 GIEB Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3C)S2)c1 59533932 HTUPWNFPOIUXHK-ZDLGFXPLSA-N 381.457 4.280 30 40 GIEB COC(=O)c1sc(NC(=O)COc2cc(C)ccc2C(C)C)c(C#N)c1C 4537745 WCSWDOHQHNHLBN-UHFFFAOYSA-N 386.473 4.164 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])S2)cc1 4544574 GNGBVIDUEUSQEO-MLIFEPNPSA-N 381.413 4.051 30 40 GIEB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1C#N 6612082 JXKMBDOQTAAOFS-OAHLLOKOSA-N 398.418 4.366 30 40 GIEB COc1cccc(-c2nc(COC(=O)c3ccc(C#N)cc3)cs2)c1OC 6638878 FAQBUMYQQMDMQX-UHFFFAOYSA-N 380.425 4.056 30 40 GIEB C#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 4786020 VFJPNYXNEAGBHD-UHFFFAOYSA-N 396.537 4.083 30 40 GIEB N#Cc1c(NC(=O)CN(Cc2ccco2)Cc2cccs2)sc2c1CCC2 7580618 HMISGYUZKCDKKX-UHFFFAOYSA-N 397.525 4.404 30 40 GIEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCC(C)CC2)C1=O 16810046 RIVJVOUWYYEMDA-BKUYFWCQSA-N 379.456 4.249 30 40 GIEB biogenic CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 44973545 JQYMFPDYJDUBCF-HNNXBMFYSA-N 395.532 4.157 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 1529314305 BBQKUOPRSPNSMM-ZLMXCOPYSA-N 392.458 4.380 30 40 GIEB CCCCN=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 2032946170 YWASONMCGVRIGU-MRXNPFEDSA-N 379.501 4.055 30 40 GIEB CCCCCCCC1=C(N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O 100214428 UUOXXYUHDXZUBD-UHFFFAOYSA-N 377.428 4.403 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Cl)c2c(c1)OCCO2 31081491 RPHNLFFBKYITJN-UHFFFAOYSA-N 390.826 4.158 30 40 GIEB CC(=O)CSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N 804187 WISKRBDINVUTDH-UHFFFAOYSA-N 380.347 4.049 30 40 GIEB COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c1 5509614 JOVGEVXJJHUVIE-UHFFFAOYSA-N 378.457 4.498 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1 5541549 JZWGURUFFHBCEJ-QCLNCQLRSA-N 379.485 4.141 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 11456601 IUQUEPHVERRTHP-OPAMFIHVSA-N 380.444 4.079 30 40 GIEB CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1N1CCCCC1 12561646 OWEVHTKYYBKCOZ-UHFFFAOYSA-N 396.922 4.272 30 40 GIEB Clc1ccccc1CN1CCN(/N=C\c2ccc(Br)cc2)CC1 19790563 HPMTZLYMZFAYAE-BKUYFWCQSA-N 392.728 4.254 30 40 GIEB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccc(C#N)cc2)CC1 36722743 FBMJXYGTVZQPEF-MRXNPFEDSA-N 395.457 4.182 30 40 GIEB CC/N=C1/S/C(=C/c2cc(Br)ccc2OCC)C(=O)N1CC 408931314 JWSBIMNYHKQACM-WVTXTPTHSA-N 383.311 4.160 30 40 GIEB C=CCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2347433 XFRHOQFIZWPDJF-UHFFFAOYSA-N 376.460 4.400 30 40 GIEB COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 3576234 PKVUUPAZQIDKOM-WSDLNYQXSA-N 395.286 4.247 30 40 GIEB Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 5524585 OKHKBUULHCBLJI-UHFFFAOYSA-N 382.419 4.128 30 40 GIEB C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 6064873 JSRVRNGXEVAQGM-WMADIVHISA-N 389.238 4.449 30 40 GIEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 6238371 KDUWSHUKWBXWEI-UFWORHAWSA-N 382.272 4.283 30 40 GIEB COc1cc(/C=N/Nc2ccccc2Cl)c(Br)cc1OCC#N 6490527 MVERJSWOSDVCMB-KEBDBYFISA-N 394.656 4.459 30 40 GIEB O=S(=O)(/N=C(/NC1CCCCC1)c1ccccc1)c1ccc(Cl)cc1 6982261 NVHSTHZMCXTJJR-UHFFFAOYSA-N 376.909 4.398 30 40 GIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 9014016 QVPYTQGIXUFFMQ-VLIAUNLRSA-N 376.847 4.347 30 40 GIEB Cc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 9486486 DWGLEKPETBTXFC-BKUYFWCQSA-N 392.432 4.379 30 40 GIEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 13551698 FAZKFLSWHRIETJ-OAQYLSRUSA-N 387.439 4.156 30 40 GIEB COc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)c1 17180486 HVZZQTJRQNXXKY-GFMRDNFCSA-N 396.406 4.293 30 40 GIEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N\c3ccccc3)S2)cc1 100105473 NGHLDXKRPJOVJD-QCLNCQLRSA-N 397.500 4.066 30 40 GIEB Cc1c(/N=C/c2cc3ccccc3nc2Cl)c(=O)n(-c2ccccc2)n1C 1209415 SVNVANGZIIVSPR-YDZHTSKRSA-N 376.847 4.437 30 40 GIEB CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2372449 MSYNWCDKASEQCH-QGZVFWFLSA-N 380.492 4.207 30 40 GIEB COc1cc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)ccc1OCC#N 3370099 HIEFLIROKPVVTE-SOFGYWHQSA-N 391.345 4.373 30 40 GIEB Cc1ccc(Cl)cc1NC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 3435257 MTORYAIOSPAGPJ-UHFFFAOYSA-O 396.854 4.074 30 40 GIEB COc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]c(=O)c2C#N)cc1 6304160 SDMYLBXLBOGBPJ-UHFFFAOYSA-N 381.229 4.352 30 40 GIEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cc3ccccc3)ccc2O)cc1 6756985 AOCYNKUZHPXLPU-XQNSMLJCSA-N 375.428 4.422 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccncc1 8489866 UYOQIGCLYZCKJK-GFCCVEGCSA-N 386.427 4.168 30 40 GIEB C[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)Nc1sccc1C#N 12553697 DLPIPLVEMOYQNA-LLVKDONJSA-N 395.513 4.257 30 40 GIEB Cc1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611096 SWLCWHCBPBSHGJ-CNHKJKLMSA-N 383.260 4.236 30 40 GIEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 57600731 YQXCQOOCMWBICS-HLAWJBBLSA-N 376.610 4.338 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)o1 104375545 VCLOBOJWLPFILB-GUKJSZBGSA-N 380.831 4.049 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)cc3)S2)cc1 110701366 ILBCMPVRTIQAPK-XMHGGMMESA-N 381.501 4.433 30 40 GIEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OCc1ccc(C(=O)O)o1 409384853 FOHWOVNBBWZIRC-YVNNLAQVSA-N 395.367 4.045 30 40 GIEB CCc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 626401 QYNVFMBRBZMBCK-JOCHJYFZSA-N 388.467 4.257 30 40 GIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 6005267 QPMKYLJSIBKXAD-MEDUHNTESA-N 399.491 4.364 30 40 GIEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 12916177 IQTLFBKLWXFSQU-UHFFFAOYSA-N 388.452 4.061 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256839 XQVPNKMNYZBVQJ-UHFFFAOYSA-N 397.500 4.237 30 40 GIEB O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)C1CC1 58306425 GMYGHBCNCGVTTN-KRWDZBQOSA-N 398.256 4.328 30 40 GIEB Cc1c(/C=N/c2cccc3nsnc23)c(O)n2c(nc3ccccc32)c1C#N 101674745 YGOPEYCCSJZBIF-LSHDLFTRSA-N 384.424 4.129 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccco2)sc1C 102799236 OVVMDBYNZBKBPH-MRPLLJTBSA-N 386.454 4.041 30 40 GIEB O=C1C2=C(N=C3CCCC(O)=C3[C@H]2c2cc([N+](=O)[O-])ccc2O)c2ccccc21 102930655 MLVQOHZSCCVBIG-GOSISDBHSA-N 388.379 4.442 30 40 GIEB N#Cc1cccc(C(=O)N2CCC(COc3nc4ccccc4s3)CC2)c1 206599745 YYTVPVREGMUMNG-UHFFFAOYSA-N 377.469 4.099 30 40 GIEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Br)cc1 224729272 MNRLRVCUJDOECW-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cccs1 225138435 SUQRELCVKSWDDG-UHFFFAOYSA-N 376.272 4.031 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1 408738032 MDKSFIFLIRVDGH-UDWIEESQSA-N 379.376 4.357 30 40 GIEB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409251347 PIUYYFMNQBENBK-XDHOZWIPSA-N 395.484 4.039 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O 4899380 STJRTMJUYULVQZ-YGHXBTADSA-N 381.501 4.329 30 40 GIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1ccccc1 8320845 MKIIDHWEFZNINT-UHFFFAOYSA-N 379.485 4.327 30 40 GIEB C=CCn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCC3 985913 VBFRGMQJKGSEAC-UHFFFAOYSA-N 398.509 4.154 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccnc3ccccc13)n1ncnc1N2 18200909 CKMKNQFZVCPGIX-LRTDBIEQSA-N 399.479 4.304 30 40 GIEB C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)c2cc(C(F)(F)F)ccc2S1 79019964 JVNNHTPUZTVEGU-SGTLLEGYSA-N 397.466 4.205 30 40 GIEB CC/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1CC 408853573 PSPMLOLYOUCTCZ-AJEADFGNSA-N 389.702 4.120 30 40 GIEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 1125647712 NJTDNRFEWVANNL-YSIASYRMSA-N 398.275 4.136 30 40 GIEB COc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OCCC(C)C 6375595 STTRTZSRDQAJPK-HZHRSRAPSA-N 385.533 4.118 30 40 GIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccco2)sc1C 5800390 SJERAQNRLPBFHF-MRXNPFEDSA-N 398.415 4.275 30 40 GIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cc(Cl)cc(Cl)c3)c2)c1 3252134 QSXLNGKQLWRBTP-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB CNc1nc(N/N=C/c2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1 4181284 WYSLEQMVBCKQSV-FOKLQQMPSA-N 387.369 4.122 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 4435991 AKFAWBQEIQCKRJ-KZULUSFZSA-N 382.876 4.409 30 40 GIEB CCCOc1nc2nc(-c3ccccc3)n(Cc3ccccc3)c(N)c-2c1C#N 4498731 BJLSRNLROHVGIX-UHFFFAOYSA-N 383.455 4.341 30 40 GIEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)c(Cl)c2)cc1 4679909 DMTQHSLTEBUADC-OCKHKDLRSA-N 379.272 4.431 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C 4814648 SXTMUCYKIMULEU-ZDUSSCGKSA-N 385.518 4.015 30 40 GIEB CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1C1CC1 6993435 PPVOELVQLACUFE-UHFFFAOYSA-N 379.489 4.019 30 40 GIEB C=CCSc1nnc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)s1 14198156 WYEQSMIOCBOAMO-YOGCLGLASA-N 399.632 4.367 30 40 GIEB N#Cc1c(COC(=O)c2ccc(COc3ccc(F)cc3)o2)cn2ccccc12 14852416 GJRUPGFVEYSHLE-UHFFFAOYSA-N 390.370 4.479 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)NC[C@H](CC)c3ccccc3)ccc2c1=O 18153201 PFULIVKFPAJHPO-HNNXBMFYSA-N 393.512 4.169 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1C(F)(F)F 18195838 TXHJHVAEDJFVTF-CYBMUJFWSA-N 377.366 4.335 30 40 GIEB N#CCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1 28486422 RPNUSYHVAXILCX-UHFFFAOYSA-N 394.434 4.323 30 40 GIEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408589237 DIVDTPSLPBLKPC-CIAFOILYSA-N 394.387 4.461 30 40 GIEB COC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c(C#N)c1C 408628876 GBWTZKHUEAKTKL-UHFFFAOYSA-N 399.255 4.283 30 40 GIEB C#CCn1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408781139 ADXGMRXOMAANRR-CVGPFBNFSA-N 387.508 4.437 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1c2ccccc2cc2ccccc12 408872204 BBQKUOPRSPNSMM-BSZKWMGISA-N 392.458 4.380 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1cccc(Cl)c1 2463572 WOYCLXTVDGXYDQ-GDBMZVCRSA-N 390.892 4.108 30 40 GIEB Cc1nc2ccccc2c(=O)n1/N=C/c1sc(Nc2ccccc2)nc1Cl 2658669 OFTSQJZSBYKHNB-SRZZPIQSSA-N 395.875 4.441 30 40 GIEB CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc(C)c1C 2741869 XINJRUCOGMITFW-UHFFFAOYSA-N 395.296 4.313 30 40 GIEB N#CCN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1 6350700 PIQUHXAFKGDSFP-UHFFFAOYSA-N 386.407 4.192 30 40 GIEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C[C@H]3CCCO3)C2=O)cc1 4695393 UMFOGANSYUVOOI-GQPNTZQQSA-N 394.496 4.478 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccc(N(CC)CC)cc1)C1=C(CCCC1=O)N2 6677829 HCDWIEKURQEHKW-LJQANCHMSA-N 397.548 4.258 30 40 GIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccco1 409287481 VTJSGKZQGPVFNM-VQFGHVAXSA-N 386.249 4.423 30 40 GIEB CC(C)=N/N=c1\[nH]c2cc(C)c(NC(=O)COc3ccccc3)c(C)c2s1 72228769 OWTWZRYHFDAVGF-UHFFFAOYSA-N 382.489 4.160 30 40 GIEB COc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 13595771 BNBJUOZMVQGVDM-NLRVBDNBSA-N 383.495 4.417 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@@H]2O[C@@H]2c2ccccc2)cc1 1718916 PSLFAUHUATXKOR-YADHBBJMSA-N 394.448 4.086 30 40 GIEB C=CCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2113657 KUCWPWXWINEONS-LJQANCHMSA-N 394.456 4.162 30 40 GIEB COc1ccc(OC)c(/N=C(\O)CCCn2c(=S)[nH]c3ccccc3c2=O)c1 2971796 RBANRYLDRWVRJC-UHFFFAOYSA-N 399.472 4.145 30 40 GIEB O=c1c(Br)c(N/N=C/CCc2ccccc2)cnn1-c1ccccc1 4749822 UODRIDIFIBCLKT-FYJGNVAPSA-N 397.276 4.026 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc(OC)c1OC 16976170 GTQNBKDNIMTSMW-WQRHYEAKSA-N 398.484 4.221 30 40 GIEB C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(C)=O)C/C(C)=C\CC/C(C)=C\CC[C@@]2(C)O 17299732 WMGWWFHPPNGBBT-VFOCGBPCSA-N 376.493 4.014 30 40 GIEB COc1ccc(CN/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC 20195714 ULCMGCBELXGKLX-BUVRLJJBSA-N 376.456 4.407 30 40 GIEB CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 100254905 HXLCZXHWLXUEBY-WJDWOHSUSA-N 384.284 4.053 30 40 GIEB aggregator COc1cccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)c1 408751720 ATCTZFAAVQRYDW-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB CCN1C2=C(C(=O)CCC2)C(c2ccc(OC)c(OC)c2)C2=C1CCCC2=O 408926392 UFJXUHWELOHZQP-UHFFFAOYSA-N 381.472 4.137 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc(O)c1)n1nc(-c3ccccc3Cl)nc1N2 944332 GGEJGLLYYKSFJO-IBGZPJMESA-N 392.846 4.326 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@H]2O[C@@H]2c2ccccc2)cc1 1718917 PSLFAUHUATXKOR-FGZHOGPDSA-N 394.448 4.086 30 40 GIEB CCN/C(S)=N/N=C\c1cccc(OCc2ccc(Br)cc2)c1 5009763 JVIDIKKPOJYIQM-JAIQZWGSSA-N 392.322 4.257 30 40 GIEB CC(=O)/C(=C/n1c(=S)sc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 5498688 AKIFWSLMJSPRGH-UVTDQMKNSA-N 399.453 4.409 30 40 GIEB CC[C@@H]1CCc2sc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)cc2C1 7779921 ZTANFLFFKPNQJN-OCCSQVGLSA-N 388.514 4.061 30 40 GIEB C=CCn1c(SCC(=O)NCCSc2ccccc2)nc2ccccc21 12506405 AEMPDUSZCMJACA-UHFFFAOYSA-N 383.542 4.223 30 40 GIEB CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C1CCCCC1 17084537 DDVXERCIFBQYHJ-YGCDDZCOSA-N 393.940 4.321 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccsc1 18199330 ZTPUKGCCNLRHBV-KRWDZBQOSA-N 391.496 4.428 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 25547551 GRLKBPPYPIEWDD-PEINSRQWSA-N 384.516 4.431 30 40 GIEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(-c3ccc(C)cc3)nn21 32912772 DMWPSCGURJXGBG-OAQYLSRUSA-N 386.455 4.284 30 40 GIEB CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 79058904 ZDRMGKXVLJDKIY-UHFFFAOYSA-N 382.533 4.134 30 40 GIEB Cc1ccc(OCc2nc(SCc3cccc(C)c3)nc(N)c2C#N)cc1 223687576 DZIYXKQSSFFDCH-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB Cn1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 254406008 ADYHAVJIADJFAC-UHFFFAOYSA-N 378.435 4.437 30 40 GIEB C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OCC 409024407 XSBBMSUGIHBNEN-QGOAFFKASA-N 385.485 4.271 30 40 GIEB CC[C@H](C)Oc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409076210 ZQLVWFJVPZUDRT-VSMYLPJWSA-N 393.241 4.376 30 40 GIEB Cc1cc(-c2nc(C3(c4cccc(OC(F)(F)F)c4)CC3)no2)ncc1C#N 593304475 MOSMNZSVTXBQES-UHFFFAOYSA-N 386.333 4.290 30 40 GIEB N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cc1 5461449 DUARXGWDYMOTAH-XMMPIXPASA-N 398.462 4.204 30 40 GIEB CCN(CC)c1ccc(/C=N/N=C2\SCC(=O)N2c2ccc(C)cc2)cc1 13551626 RKFUISVCACQXOW-BXWNHYELSA-N 380.517 4.311 30 40 GIEB COc1cc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OCC(C)C 40087550 ASXKFYDVEYCZIK-IRXDYDNUSA-N 396.487 4.246 30 40 GIEB CC(C)c1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1 84625246 OYDQHLGEYHPGSU-OAHLLOKOSA-N 393.512 4.223 30 40 GIEB CCCCOC(=O)C(=O)[C@@H](C[C@@H](CC)C(=O)c1ccccc1)C(=O)C=C(C)C 102981911 DQZGZYQZVCPIBC-MJGOQNOKSA-N 386.488 4.350 30 40 GIEB CC[C@@H](C)c1ccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408752019 BGTQBPMODPUHSQ-AKKBVVCLSA-N 393.512 4.275 30 40 GIEB CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@H]2C1(C#N)C#N 989008 GBJWABJKOOVKKW-ZRBLBEILSA-N 383.451 4.076 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(/Oc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6575457 LHUCNCYAUXHOJD-XUTLUUPISA-N 378.344 4.356 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1 6581726 NHTCMKKDGLEADL-RUDMXATFSA-N 377.234 4.371 30 40 GIEB COc1ccccc1[C@@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)N(C)C 27562193 ZYTASXABLBDXCL-LJQANCHMSA-N 376.460 4.245 30 40 GIEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3)o1)[C@H]1C=C[C@H]2C12CC2 408728489 NHXLWODGGKBSKX-MREMSQHLSA-N 392.842 4.131 30 40 GIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc(F)cc1 8386889 NXENZVNBHBNCGG-HKOYGPOVSA-N 393.447 4.448 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl 6886341 DATZXIDUADMCFD-UHFFFAOYSA-N 383.618 4.314 30 40 GIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 12406470 IBISBKYAIDVORC-KPZWWZAWSA-N 394.456 4.119 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(C)C)C1 19447906 LTQZYHGCAWITQY-DEOSSOPVSA-N 377.532 4.084 30 40 GIEB CCCCCCCCCCC/C(N)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100742810 COQNOQDDMTZOII-YMIFCHIISA-N 379.541 4.477 30 40 GIEB biogenic COc1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 933876 WNOGMQKCGTXUFX-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 2055324 RDMOAHZNNKLCMP-OAQYLSRUSA-N 383.488 4.397 30 40 GIEB C=CCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 2325411 RSVSWRMZAINDCX-FQEVSTJZSA-N 397.272 4.007 30 40 GIEB C=CCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 4551087 NPFLBSIKDLEIEY-VBKFSLOCSA-N 384.229 4.358 30 40 GIEB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 5883958 ZKVHQAGSLMURFO-MRXNPFEDSA-N 399.516 4.374 30 40 GIEB N#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 6494879 KPXBIQWIPXUXCS-UHFFFAOYSA-N 386.068 4.397 30 40 GIEB COc1ccc(CN2C(=O)CS/C2=N\c2cccc(Cl)c2C)cc1OC 6593862 JYAGNAQQJTYDKK-VZCXRCSSSA-N 390.892 4.429 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574170 WJKJIJDWMLARGM-UHFFFAOYSA-N 398.249 4.327 30 40 GIEB CCCCCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C 8425685 KSMPHABRBUNWKU-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB C/C(=N\N=C(\S)Nc1ccc(C)c(C)c1)c1ccc(N2CCOCC2)cc1 8687733 LHKKRGHSIHBOSH-HAVVHWLPSA-N 382.533 4.262 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 8881735 AVHFKZGOPMTFTL-UHFFFAOYSA-N 378.432 4.117 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(F)cc2)cc1 16741345 UDINUQUTXMEMRJ-FQEVSTJZSA-N 393.414 4.155 30 40 GIEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 19901453 WLDZQMGFZFFYMS-HJNYFJLDSA-N 390.637 4.334 30 40 GIEB COC(OC)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 25630874 GHVWVOCLUYXNRO-ZNHHMURHSA-N 390.520 4.049 30 40 GIEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 36496908 VUVNLXFEGKNTAK-LBSQEVOPSA-N 375.509 4.157 30 40 GIEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 44973536 DEXMIKIWBCNQQK-HNNXBMFYSA-N 395.532 4.157 30 40 GIEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 101351666 BXNFOBNRWXOKDB-JLEISICNSA-N 378.428 4.177 30 40 GIEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408594110 SGBBQPAKSWJDGD-MTJSOVHGSA-N 394.387 4.461 30 40 GIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)N1CC 408854925 KUUQWCXTYCNRRS-VOSKWGSBSA-N 397.500 4.104 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2c1 1223600 GWFPFURIWHXFJX-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 2220678 TZIIBYWFFHEQDZ-NKWDDMGQSA-N 399.491 4.423 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 6736434 DSCCSRZKVVYWSF-UHFFFAOYSA-N 379.485 4.039 30 40 GIEB C=CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 6748098 AFVDTSWJHPSEEO-UHFFFAOYSA-N 380.857 4.409 30 40 GIEB N#Cc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 8410160 YDYBCHBGFOHKSE-UHFFFAOYSA-N 394.500 4.140 30 40 GIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1Br 10001484 SEBBREWUHGJQQS-IJAAGYKOSA-N 390.233 4.190 30 40 GIEB CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1 12524026 QSPJVABODXQVEH-YYDJUVGSSA-N 384.435 4.471 30 40 GIEB Cc1ccsc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 14073728 SYXDWFAXWWNZHX-UHFFFAOYSA-N 393.468 4.131 30 40 GIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)c1 20762533 YCOUFQNSOJFTMS-MFKUBSTISA-N 391.471 4.013 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C 22611857 FCKIBCKRQPKTMY-FQEVSTJZSA-N 383.488 4.251 30 40 GIEB O=C1NC(=Nc2ccccc2Br)S/C1=C/c1cccc(O)c1 408749008 JTRJPURTKANULF-NTEUORMPSA-N 375.247 4.046 30 40 GIEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N/c1ccc(OC)cc1 409238582 FABSYBDZKQSIKK-HNPUNDFXSA-N 398.484 4.336 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C 7798884 PWCCLLHEVSFJQO-UHFFFAOYSA-N 393.516 4.254 30 40 GIEB CCOC(=O)C[N+]1(CCOC(c2ccccc2)c2ccccc2)CCCCC1 4769299 PPCULPDJEWFXPP-UHFFFAOYSA-N 382.524 4.356 30 40 GIEB COc1cccc(-c2nnc(Sc3ccc(C#N)cn3)n2Cc2ccco2)c1 24762531 OZLIPUACXCXXGP-UHFFFAOYSA-N 389.440 4.013 30 40 GIEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F 108022099 AURUMXAQXQXTTA-UHFFFAOYSA-N 398.419 4.153 30 40 GIEB C=C(C)Cn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 8786756 MDBBCCGLIJCBCD-SFHVURJKSA-N 375.472 4.137 30 40 GIEB COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCC(=O)OC(C)C 408600209 AIPHOAUUAZPKCB-NHDPSOOVSA-N 399.472 4.081 30 40 GIEB C=CCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975975 ODCFTPOVVNCRQQ-UHFFFAOYSA-N 396.479 4.352 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 19972774 HPTVFBGNPQNWPX-GOSISDBHSA-N 375.415 4.132 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(OC)cc1 408706723 DEWZNFULDFWDMB-UHFFFAOYSA-N 376.541 4.349 30 40 GIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 409161213 KYQMEVHDNADLKO-WOXWEOHFSA-N 388.467 4.160 30 40 GIEB CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 30882912 VGJRAUJCHRODHZ-ACRUOGEOSA-N 393.535 4.374 30 40 GIEB biogenic,in-vitro CN(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2341106 AIAWKGJXYBOXFS-JMIUGGIZSA-N 392.315 4.489 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 5490364 RSFSFEAIWWCIBX-FYJGNVAPSA-N 386.371 4.153 30 40 GIEB Cc1ccc(C2=NN(C(=O)COc3ccccc3C#N)[C@H](c3ccco3)C2)cc1 5830295 FECNOXANSOYQBN-FQEVSTJZSA-N 385.423 4.216 30 40 GIEB COc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 872698 BKRCNWPVJUMCJR-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 4485644 XUAOIRQPHHHSHK-CYBMUJFWSA-N 381.457 4.070 30 40 GIEB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 7060387 DAZNQAWYCQWCPC-UHFFFAOYSA-N 375.881 4.271 30 40 GIEB COC(=O)c1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408817881 YORGLSXVVPTHNF-ODLFYWEKSA-N 377.238 4.180 30 40 GIEB FC(F)(F)COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409046862 SBIZGBLDIOLANC-FPQMYIDKSA-N 386.189 4.342 30 40 GIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(O)c(O)c1 35644387 RLUWINUIBBZDKO-RIYZIHGNSA-N 380.347 4.008 30 40 GIEB N#Cc1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099926 QFJVLDVSIPFZCE-UHFFFAOYSA-N 397.482 4.060 30 40 GIEB O=C1/C(=N\Nc2cccc(Cl)c2Cl)c2ccccc2N1C1CSC1 223719010 XZOIVNZUCYHDEX-PGMHBOJBSA-N 378.284 4.272 30 40 GIEB N#Cc1ccccc1C(=O)N1CC2(CCOCC2)c2cc(-c3cccnc3)ccc21 585105925 ZLZAMXWASMBWAN-UHFFFAOYSA-N 395.462 4.329 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2ccccc2F)cc1 5409019 WXRNPDFDACNYCV-FQEVSTJZSA-N 388.398 4.312 30 40 GIEB C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1C1CCCCC1 14241152 PKAQHTBTGRAZAZ-SFHVURJKSA-N 384.549 4.433 30 40 GIEB C=CCn1c(SCC(=O)c2cc3ccccc3o2)nc2ccccc2c1=O 5938633 IXJKETYUZICNBT-UHFFFAOYSA-N 376.437 4.304 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 101513148 TUPJYUPVLWWPJH-UUYOSTAYSA-N 375.384 4.044 30 40 GIEB C=CCSc1ccccc1NC(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 32902735 RJEWHSNDTXHRCV-QHCPKHFHSA-N 396.556 4.349 30 40 GIEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1OC 20196726 QSEPADNMURHCMJ-AFUMVMLFSA-N 381.451 4.374 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(OC)cc4)[C@H]3C[C@H]12 12661644 FJUTWCVPMLKPLN-AQKHVRLOSA-N 383.532 4.142 30 40 GIEB biogenic C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409145583 QJKIIQHUDSOIMJ-RCCKNPSSSA-N 384.435 4.498 30 40 GIEB C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccccc1Br 6046636 XHIKRVVSHJOBJZ-AWQFTUOYSA-N 384.249 4.438 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)ccc1OC 97104881 AJMBZEDJAUXCQF-KNQAVFIVSA-N 398.430 4.162 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)no1 8996703 UTZLKZVDKGBIGT-QGZVFWFLSA-N 398.802 4.321 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 103098597 VIGSHLNAPFLZSG-LFVOPCPISA-N 383.419 4.056 30 40 GIEB CC(C)c1cc(C(=O)NCCSCc2ccccc2C#N)nn1C(C)(C)C 40141448 JKUWDTBBUJMNNJ-UHFFFAOYSA-N 384.549 4.296 30 40 GIEB C=CCc1c(OC)ccc2c1c(S(=O)(=O)c1ccc(C)cc1)cn2COC 3199872 BBOHJEXKDGLUGN-UHFFFAOYSA-N 385.485 4.124 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cc(OC)ccc1OC 4626478 ZEVVRBSGIYFUAB-MGPUTAFESA-N 389.492 4.205 30 40 GIEB Cc1ccc(OCCCSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238276 IOYKBCBEUPKZAX-UHFFFAOYSA-N 391.496 4.487 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@H]12 61996993 RKKGCRDYLZFHLX-BBPVLXATSA-N 394.559 4.123 30 40 GIEB biogenic COc1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@@H]2CCCc3ccccc32)c1 97002732 KXCYAMLUGJYFNU-OAHLLOKOSA-N 379.865 4.114 30 40 GIEB O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)F 102058273 NKCOPEDKDHSSGH-UHFFFAOYSA-N 379.100 4.154 30 40 GIEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769895 GFELXTPBBZAEAY-UHFFFAOYSA-N 378.472 4.424 30 40 GIEB CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)N[C@@H]1c1ccccc1 408989754 LWYJSPQUZQIQQL-HXUWFJFHSA-N 391.496 4.329 30 40 GIEB N#Cc1cc(Br)c(OC(=O)c2ccccc2)c(Br)c1 984715 IQYVJLKSPYVUHY-UHFFFAOYSA-N 381.023 4.302 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 3073696 WCUCASXZBPHHRM-NRFANRHFSA-N 383.488 4.397 30 40 GIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3ccccc3c2Cl)n1 6606147 XSUPOXKZMZJBCV-LLVKDONJSA-N 390.873 4.353 30 40 GIEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O 7740387 SPCGAXOMELNKIE-UHFFFAOYSA-N 380.806 4.495 30 40 GIEB COc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12465458 NZKNVDCWLGGGHM-ITYLOYPMSA-N 383.495 4.417 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@@H]12 61996992 RKKGCRDYLZFHLX-MXCHMSEPSA-N 394.559 4.123 30 40 GIEB biogenic N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)c1 67898570 FKUPIUJUJMKJAK-FQEVSTJZSA-N 378.863 4.175 30 40 GIEB biogenic,in-vitro N#Cc1ccc(N2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)nc1 69668436 IGAHVKMFPQUMAM-QGZVFWFLSA-N 391.862 4.431 30 40 GIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc(OC)c1O 100765453 UAIINZYYAZSDAP-NHCUHLMSSA-N 397.490 4.283 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102503920 DDTANCIXFMLXGD-YDJIHCHBSA-N 389.382 4.158 30 40 GIEB COCc1cc(C)nc(NN=Cc2cccc(OCc3ccccc3)c2)c1C#N 408730379 QHMXPXDKTPJMHP-UHFFFAOYSA-N 386.455 4.433 30 40 GIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(F)cc1 2448570 DXXUZABKEJBXKG-UHFFFAOYSA-N 383.448 4.157 30 40 GIEB CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2/N=C/c1ccc2[nH]ccc2c1 32095078 QEBOJKJVUUGDSN-UVHMKAGCSA-N 384.527 4.312 30 40 GIEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 4744144 NLUGGDMYWGAERB-MXSIOWASSA-N 386.532 4.225 30 40 GIEB CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2C(=O)C(O)=C(C(C)C)C(=O)[C@@H]21 4879294 GZGFNUROSGAIJU-WBDVRUJRSA-N 376.493 4.007 30 40 GIEB Fc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 9197893 LYVJTHSOXQLSET-SSDVNMTOSA-N 382.266 4.093 30 40 GIEB C#CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCc2ccccc21 47405904 ODVWDPPOOAIKNW-HSZRJFAPSA-N 398.510 4.050 30 40 GIEB COc1ccccc1[C@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)N(C)C 27562194 ZYTASXABLBDXCL-IBGZPJMESA-N 376.460 4.245 30 40 GIEB O=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1ccc(Cl)cc1Cl 16764499 HEGIRXVLVLQKLJ-WUQDTEKSSA-N 384.313 4.219 30 40 GIEB CC(C)(C)c1ccc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)cc1 4083356 DIDYSNQLZRUMSS-ZVHZXABRSA-N 394.544 4.185 30 40 GIEB C/C(=N\n1c(COc2ccccc2)nc2ccccc2c1=O)c1cccs1 5093705 VQJAMLHQEUDYTB-HZHRSRAPSA-N 375.453 4.309 30 40 GIEB CCCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 8426358 IUKCMTMIVXZIKH-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB C[C@@H](/C(O)=N/c1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1cccc(Cl)c1Cl 82107418 RVUGDLIYPBIFIL-JTQLQIEISA-N 393.274 4.272 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1F 6565402 CEPWZFWEFRSOTR-GOSISDBHSA-N 381.359 4.099 30 40 GIEB CC(C)Oc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409348842 TZEYBMZPUBGISE-UHFFFAOYSA-N 392.242 4.078 30 40 GIEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ncc[nH]2)cc1 18199798 PLGDWBIBNVMHJK-FQEVSTJZSA-N 387.487 4.413 30 40 GIEB CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 18254819 CNNLXBQQCYJTJD-AUWJEWJLSA-N 381.240 4.360 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1 409319413 FUNZOYAAPLABSG-UHFFFAOYSA-N 388.240 4.133 30 40 GIEB FC(F)(F)COc1cccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1 409037127 SFFPHQLHVZEBER-FPQMYIDKSA-N 386.189 4.342 30 40 GIEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)cc1 210586980 ZCQIWWYUJDWAPF-WBCKRXDOSA-N 396.468 4.407 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc(O)c1)n1nc(-c3cccc(Cl)c3)nc1N2 4279856 MADJJCMEYFGYIP-IBGZPJMESA-N 392.846 4.326 30 40 GIEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc3ccccc3c1)=C2 40313361 IECWBBGVEKTQQB-UHFFFAOYSA-N 387.435 4.289 30 40 GIEB biogenic CCCCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2)c2ccccc21 100616735 GKHLNXLRARFWTC-LJQANCHMSA-N 381.520 4.333 30 40 GIEB C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccccc1 2621658 PCQVZKAMENHSTB-UHFFFAOYSA-N 398.919 4.193 30 40 GIEB COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Nc2ccccc2)cc1 4134592 CECQYKUVTRUMLN-BUVRLJJBSA-N 399.454 4.201 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1cccc(O)c1 4279345 DJSNSKBJUCNSSC-FQEVSTJZSA-N 386.455 4.309 30 40 GIEB COC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C 4603242 VXLZJEQHESCSOH-UHFFFAOYSA-N 380.878 4.099 30 40 GIEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1ccccc1Cl 5626431 YYCBLZVJOOEMEW-RGVLZGJSSA-N 380.864 4.160 30 40 GIEB COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC#N 5937548 DUODOSCDDICAHG-CSKARUKUSA-N 390.483 4.092 30 40 GIEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 6657141 HVDGSUHXZGQQRC-NSHDSACASA-N 385.445 4.304 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccccc1 6813797 ANGAKNILFPJQAN-LJQANCHMSA-N 377.371 4.197 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 8959599 XCNNUTMQMVPZDK-UHFFFAOYSA-N 386.398 4.155 30 40 GIEB CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccc(C(=O)O)cc1 13120218 SDGIHZCLZRTRKM-LVVZJAEZSA-N 377.425 4.100 30 40 GIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\C=C\c1ccccc1OC)C2=O 20624823 GHDMGQGMVRQTEG-IKLMVFQXSA-N 379.456 4.415 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Cl)c1 23114545 YMEOPDBXWUQALJ-GOSISDBHSA-N 379.843 4.472 30 40 GIEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] 40139578 KPCWZEYZZVSOLV-UXBLZVDNSA-N 377.400 4.112 30 40 GIEB CN(C)CCO/N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926516 VDVFPECJIDUPKS-KJFKJYMMSA-N 376.585 4.324 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 222827230 QUXHRKMBVZQGOW-JOCHJYFZSA-N 392.499 4.277 30 40 GIEB Cc1ccc(Cc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)cc1 225843415 ZBTIYXFKWVPLAS-UHFFFAOYSA-N 381.277 4.047 30 40 GIEB Cc1cccc(Cn2nc(Cc3ccc(Br)cc3)c(C#N)c2N)c1 225845137 QLCCBZHQISYOLB-UHFFFAOYSA-N 381.277 4.047 30 40 GIEB COc1cccc2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)oc12 602183788 BGSPETLWQDJLCV-UHFFFAOYSA-N 375.428 4.030 30 40 GIEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc12 933878 BZSXAGXQAVGVOS-UHFFFAOYSA-N 376.485 4.212 30 40 GIEB N#Cc1ccccc1COc1ccccc1/C=C1/NC(=O)N(c2ccccc2)C1=O 4699075 PBFSNJMTWRUHGW-KGENOOAVSA-N 395.418 4.235 30 40 GIEB N#Cc1cccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)c1 10844185 JEYHJWLRMSWAAS-UHFFFAOYSA-N 388.393 4.228 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1OC(F)(F)F 12870585 JPFUVVNNANXTHK-UHFFFAOYSA-N 389.333 4.079 30 40 GIEB Cc1ccc(SCCC(=O)OCC(=O)Nc2c(C#N)oc3ccccc23)cc1 15218094 BPIPCUIETCSLMV-UHFFFAOYSA-N 394.452 4.277 30 40 GIEB Oc1nc2cc(Cl)ccc2nc1/C(=N/Nc1ccccc1)[C@H](O)c1ccco1 17836066 WILMRFYKJJAKSX-DWGAWOTKSA-N 394.818 4.132 30 40 GIEB O/C(=N\c1nnc(Cc2ccccc2)s1)[C@@H]1CCCN1Cc1ccccc1 48362471 FYABOEHEDYRTHS-SFHVURJKSA-N 378.501 4.382 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 102799369 XBSVECSASFKMID-HVESIFNPSA-N 394.452 4.288 30 40 GIEB CCc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102928346 YHKOKIYJCFFWPI-MRJHHRETSA-N 387.435 4.464 30 40 GIEB CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c(OCC)c1 408961861 OTAKZONRIZPIHF-XDHOZWIPSA-N 398.484 4.384 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409135731 QJWYCRVGKUWJJK-CPNJWEJPSA-N 385.485 4.324 30 40 GIEB O=C1CSC(=S)N1/N=C/c1cn(Cc2ccccc2F)c2ccccc12 409334203 VZVFFIFQPAOLIH-ZVBGSRNCSA-N 383.473 4.023 30 40 GIEB C=CCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 2470448 ZFFKDAPQAHQOFU-HXUWFJFHSA-N 390.468 4.261 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccoc1C 3304193 CVKUSYOOPNRLLM-UHFFFAOYSA-N 390.415 4.042 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O 4889076 RBGDPVLILJKLTM-ZYRNDJPESA-N 396.472 4.147 30 40 GIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(O)cc1 5376340 AFWIEXSOUUHNHT-ZROIWOOFSA-N 375.247 4.046 30 40 GIEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)Cc1c(Cl)cccc1Cl 5427192 NICXBYCODOBYSG-IUXPMGMMSA-N 376.239 4.021 30 40 GIEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111478 GEMBFXIQLJNFOC-UHFFFAOYSA-N 379.416 4.341 30 40 GIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 14543793 NSUMWPVDPUIODZ-XIEYBQDHSA-N 391.393 4.052 30 40 GIEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 14639732 AQFWTPRQCWFFDD-INIZCTEOSA-N 382.514 4.350 30 40 GIEB Cc1cccc(N/C(S)=N/[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)c1C 22928319 YIIQGQGVJVFUGR-UGKGYDQZSA-N 396.604 4.378 30 40 GIEB CC(=O)Nc1ncc(-c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)s1 32916235 YWHIQWYOSFZIQC-UHFFFAOYSA-N 380.385 4.341 30 40 GIEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 100502950 CPGGDWIBCBJPIR-RGVLZGJSSA-N 395.684 4.395 30 40 GIEB C#CCn1c(C)c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409039836 SHARNDKAGNKWTR-PGGKNCGUSA-N 379.279 4.297 30 40 GIEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cc(C(=O)O)ccc1Cl 409106727 TXXDUJAMZBEKIY-WSDLNYQXSA-N 388.851 4.406 30 40 GIEB O=C1CSC(=S)N1/N=C\c1ccccc1OCc1ccccc1Cl 409350637 SCJQPGXKOHIEGN-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB N#Cc1c(-c2ccc(Br)cc2)c(C#N)c2nc3ccccc3n2c1N 711688 YWMQLROYJAJPJV-UHFFFAOYSA-N 388.228 4.243 30 40 GIEB O=C(O)c1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 1478100 JAMXTPQUDPHCFG-UWVJOHFNSA-N 393.255 4.121 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(F)cc2Cl)c1 2645700 TZAJICMLSRSDGG-UHFFFAOYSA-N 388.826 4.200 30 40 GIEB CC(C)c1ccc(/C=C2\S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1 4199319 XFQCWHBJPMQLPO-YWCFWNIMSA-N 394.456 4.312 30 40 GIEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccccc1 5445808 SELJVMWIPQRSIV-NRFANRHFSA-N 385.419 4.478 30 40 GIEB Cc1cc(-c2nnc(S)n2/N=C/c2c3ccccc3cc3ccccc23)[nH]n1 5625906 FODKCZQQWQRKBA-WSDLNYQXSA-N 384.468 4.454 30 40 GIEB CCOc1ccc(-n2c(COc3ccccc3C#N)nc3ccccc3c2=O)cc1 6653486 QZKLLIGWWILNDU-UHFFFAOYSA-N 397.434 4.235 30 40 GIEB COc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC(F)F 11334727 GPXMHGZQLDSWPH-CMDGGOBGSA-N 389.398 4.029 30 40 GIEB CN(C)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12467159 RNIQDJHIYCOASO-DIBXZPPDSA-N 396.538 4.474 30 40 GIEB C=CCn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccoc1C 12971460 OZJGKUIXPGBTRO-UHFFFAOYSA-N 386.521 4.131 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)COc3ccccc3C)c2)c1 13017983 ZLMPOZSLRQNODQ-UHFFFAOYSA-N 399.446 4.199 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 15016021 PWBQFERDVGNGGR-ZSOIEALJSA-N 377.784 4.279 30 40 GIEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)C1 20533324 OJSCKPWZPIBZSG-LPKQHDGYSA-N 394.427 4.149 30 40 GIEB Cc1cc(C)c2nc(NCCNC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 35312359 WZZOTKBFZTXNLH-UHFFFAOYSA-N 377.423 4.096 30 40 GIEB COc1cc(N/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC 44843395 BUSHLMHIZWFSTN-CMDGGOBGSA-N 392.249 4.283 30 40 GIEB N#Cc1ccc(COCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 77191641 ACOYCMBOWHYKRW-UHFFFAOYSA-N 391.496 4.237 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1cccs1 97105070 JRCMECKZXZITTI-JXFKEZNVSA-N 386.469 4.085 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)no1 102805221 TUNDHJCREBIEMM-GHNGSUTGSA-N 394.814 4.263 30 40 GIEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218237479 GSLJDNRDKBGXJH-OWCLPIDISA-N 396.693 4.182 30 40 GIEB C=CCOc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225451298 HQNFXCXZRTVFKT-UHFFFAOYSA-N 378.501 4.232 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(C(F)(F)F)cc1)CCCC3 2123588 QAOAYABQHDFION-NUGSKGIGSA-N 377.391 4.238 30 40 GIEB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C#N)c1ccccc1 5216111 HZHIWAHORQAAJB-KRWDZBQOSA-N 399.450 4.067 30 40 GIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 5868803 HWVJNEOLJAEDCX-MRXNPFEDSA-N 381.501 4.227 30 40 GIEB COCCOc1cccc(/C=C/C(=O)c2ccc(OC)cc2Br)c1 95997439 DYADWLZNXXTLBU-RMKNXTFCSA-N 391.261 4.379 30 40 GIEB COC(=O)c1cccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)c1 408909163 FILFTVKYUKKMQI-XKZIYDEJSA-N 392.415 4.235 30 40 GIEB N#Cc1ccc(N2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)nc1 69668426 IGAHVKMFPQUMAM-KRWDZBQOSA-N 391.862 4.431 30 40 GIEB CCCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2O)cc1 6778492 QTOHDZDNJDQDDO-FYJGNVAPSA-N 386.404 4.407 30 40 GIEB C=CCn1nnnc1NCc1ccc(OCc2ccccc2Cl)c(OCC)c1 7601840 BAOCERSXBHWFTL-UHFFFAOYSA-N 399.882 4.102 30 40 GIEB CCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1 104131498 NRPVMEYJAOKADP-UHFFFAOYSA-O 396.555 4.483 30 40 GIEB C=CCN(C(=O)c1cccc(NC(=O)OCC)c1)c1nc2c(s1)CCCC2 29763113 MRDCFJHHDKXIIN-UHFFFAOYSA-N 385.489 4.423 30 40 GIEB CCCCCCCCCS(=O)(=O)N/N=C(\C)c1ccc(OC)c(OC)c1 100167819 VKABMYRXMHOMAL-CAPFRKAQSA-N 384.542 4.098 30 40 GIEB COCCOC(=O)/C(=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O 3106622 KUIZCHHFCHUXFV-WJDWOHSUSA-N 376.493 4.149 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 4626402 TYGSOACVXFGKEH-QRWLVFNGSA-N 389.492 4.205 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 6719443 NWVQMFFLYUIVIC-OAHLLOKOSA-N 397.862 4.372 30 40 GIEB C=CCn1c(SCc2cn3cccc(C)c3n2)nc2cc(Cl)ccc2c1=O 8706983 NZVHAAQJKNWYCD-UHFFFAOYSA-N 396.903 4.484 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1C 97105031 NPLNXDJTEIHPCD-REWPJTCUSA-N 394.467 4.332 30 40 GIEB C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1615629447 XNCNOISUWBHXLP-UKRRQHHQSA-N 388.455 4.239 30 40 GIEB Cn1/c(=N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)sc2ccccc21 13208230 CMLUYOQLHXYYOK-LNKNBHAJSA-N 398.491 4.092 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(-c3cccc(Cl)c3)nc1N2 4279855 MADJJCMEYFGYIP-LJQANCHMSA-N 392.846 4.326 30 40 GIEB N#Cc1c(NC(=O)Cn2nc(C(F)F)c3c2CCC3)sc2c1CCCCC2 36613973 BYBFUZDRBILOEL-UHFFFAOYSA-N 390.459 4.150 30 40 GIEB C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 6856386 MXJRRPPSQKUOQS-UHFFFAOYSA-N 390.274 4.357 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F 3018576 HCSGOORIWPJLHV-KRWDZBQOSA-N 393.405 4.482 30 40 GIEB N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)sc2c1CCCCC2 12729151 JWWWBCHYHFUUMS-OAHLLOKOSA-N 386.448 4.225 30 40 GIEB N#Cc1c(N)sc2c1CCN(c1ncnc3scc(-c4ccccc4)c13)C2 12979391 UGNMNFJWRJGKHR-UHFFFAOYSA-N 389.509 4.436 30 40 GIEB Cc1cccc(OCCn2cccc2/C=N/N=c2/[nH]c3ccccc3s2)c1 5100144 NMQZOWSPFAKNJR-PXLXIMEGSA-N 376.485 4.353 30 40 GIEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197640 UAKPIGTZHVSETH-VBKZILBWSA-N 392.484 4.154 30 40 GIEB CC(C)=NNc1nc2c(N3CCN(C(=O)C(C)C)CC3)c(Cl)ccc2s1 72230159 PUTJRLDGHAMPKX-UHFFFAOYSA-N 393.944 4.062 30 40 GIEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 252481818 CTEQAYNUQHFVSB-GZIVZEMBSA-N 394.788 4.362 30 40 GIEB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc(C#N)c(NCCCn2ccnc2)o1 27529802 IQYFKTRBVWXFAX-BXUZGUMPSA-N 380.279 4.304 30 40 GIEB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 217830391 ODOPAOQPYJEVSI-SFHVURJKSA-N 386.455 4.012 30 40 GIEB C=CC[C@H]1CC=C[C@@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 5188482 SBHWYMPHTLLVGA-AGIUHOORSA-N 375.328 4.332 30 40 GIEB C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 3413840 KPLJRAWCNXJELZ-WFASDCNBSA-N 389.546 4.115 30 40 GIEB N#CCCN(CCc1ccccn1)C(=S)Nc1cccc(C(F)(F)F)c1 5594494 YXTLTHOOFYESNS-UHFFFAOYSA-N 378.423 4.256 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(OCC)cc2)nnc1-c1ccncc1 6908764 FRNIHQDERVNRLU-HNNXBMFYSA-N 394.500 4.288 30 40 GIEB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccc(NC(=O)CC#N)cc1 8328276 AOIJYOHLAKBXQV-UHFFFAOYSA-N 391.515 4.426 30 40 GIEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCN(C)C)o3)o2)cc1 8844495 RKWWODDPFXMIEY-UHFFFAOYSA-N 380.448 4.057 30 40 GIEB N#Cc1c(N)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cccs1 19418687 PIHGOMNGNFJXFO-UHFFFAOYSA-N 376.466 4.292 30 40 GIEB N#Cc1cnn2c1ncc1c(/C=C/Nc3ccc(OC(F)(F)F)cc3)nccc12 100311481 LECBDJRPPMAYLU-FNORWQNLSA-N 396.332 4.131 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508293 CSBUEGHWYWGGEI-FBEBKHSHSA-N 380.532 4.306 30 40 GIEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1O[C@@H](C)C(=O)O 409016172 UVCIGWPXXJOEGD-VSMYLPJWSA-N 378.222 4.060 30 40 GIEB N#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 512318117 KLFIQPISXVUUBM-UHFFFAOYSA-N 390.917 4.316 30 40 GIEB N#Cc1ccccc1N1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 47138883 ZDXMHAIOMYUILD-UHFFFAOYSA-N 378.863 4.045 30 40 GIEB CCOc1cc2c3c(c1)/C(=N/c1ccc4c(c1)OCO4)C(=O)N3C(C)(C)C=C2C 1411124 PPPIFQSRVRHXJD-GFMRDNFCSA-N 390.439 4.477 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1)n1ncc(C(=O)Nc3ccccc3)c1N2 44858848 NOQLAZFRKRIWPU-NRFANRHFSA-N 384.439 4.157 30 40 GIEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 13778368 JIIIQUREJFTNED-BKUYFWCQSA-N 393.439 4.257 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 18197326 VECJRYUQXNQDIY-ZMZPIMSZSA-N 382.876 4.409 30 40 GIEB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2C#N)cc1 8168059 WZSMNIMWSMKGAE-UHFFFAOYSA-N 384.482 4.024 30 40 GIEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 95946675 ZSUOSHAUMULHRB-PTNGSMBKSA-N 384.391 4.131 30 40 GIEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 409006960 LRLGDJLOYYQCKC-AQTBWJFISA-N 394.456 4.087 30 40 GIEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc([N+](=O)[O-])cc1 409053482 KFNUPYBZVOLPGK-YBFXNURJSA-N 383.389 4.463 30 40 GIEB CC[C@H](C)c1ccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408752021 BGTQBPMODPUHSQ-JNOJUMPPSA-N 393.512 4.275 30 40 GIEB COc1cc(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1O 15013269 XRULFBOSCZKROQ-VGOFMYFVSA-N 378.812 4.085 30 40 GIEB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 100552383 DKSDQRCPFPHCCK-WQRHYEAKSA-N 376.485 4.444 30 40 GIEB C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 2470446 ZFFKDAPQAHQOFU-FQEVSTJZSA-N 390.468 4.261 30 40 GIEB Cc1ccc(C[C@@H]2SC(N/N=C/c3ccc(Cl)cc3Cl)=NC2=O)cc1 6502044 WCRYGCBSLBKTHQ-CTJICSLTSA-N 392.311 4.466 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 11690440 SNDMMDCMXTYNSM-YSQMKOJBSA-N 381.476 4.278 30 40 GIEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406414 BXNFOBNRWXOKDB-RMGGNSTNSA-N 378.428 4.177 30 40 GIEB CCc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 17208441 KRBFYQPVNZRCRL-UHFFFAOYSA-O 380.899 4.243 30 40 GIEB COc1cc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc(Br)c1O 39842315 DBWCZNRRAZJKGC-NSIKDUERSA-N 381.609 4.433 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102799723 QRFPOYGDTLILPP-NHFXJNLRSA-N 389.382 4.158 30 40 GIEB Cc1ccc(-c2nnc(S)n2N=Cc2cc(Br)ccc2F)cc1 253616966 HVTPDPHHXGFDMK-UHFFFAOYSA-N 391.269 4.326 30 40 GIEB Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1 1079932 RUUGVSRGHLBSQT-GOSISDBHSA-N 376.412 4.431 30 40 GIEB O=[N+]([O-])c1ccc(Cl)cc1/C=N/NC(=S)Nc1cccc2cccnc12 1868733 LLEKAMWZSUOXNB-KEBDBYFISA-N 385.836 4.117 30 40 GIEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O 3139190 UAJNXNAUHKFJSU-SSDVNMTOSA-N 390.355 4.263 30 40 GIEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3nncc(-c4ccccc4)n3)o2)c1 4476785 KTBFXKNPKSHYML-CIAFOILYSA-N 386.371 4.153 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccn1)n1c(nc3ccccc31)N2 7496002 IVDGEWPNUOIPNN-PEBXRYMYSA-N 382.423 4.440 30 40 GIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 13690183 MQGAZQUJCHNRNA-FBHDLOMBSA-N 388.398 4.189 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(OCc2ccccc2)cc1 14607487 ISOYCCALSXXRJA-OYHNWAKOSA-N 386.455 4.125 30 40 GIEB C=CCc1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c(OC)c1 16301610 XWVDANBSCGMXAX-UHFFFAOYSA-N 379.378 4.138 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 18203609 GNNPBWSUBLXILD-IBGZPJMESA-N 392.386 4.213 30 40 GIEB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35937975 LKNUEHIZNUCUFJ-HMXCVIKNSA-N 375.378 4.081 30 40 GIEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 102983918 APUBYPWWKNETJK-MPEHWXSUSA-N 387.545 4.270 30 40 GIEB N=C1S/C(=C\c2cc(Br)ccc2O)C(=O)[C@H]1c1nccs1 136311764 WOWLWWZFGIYJBK-MPFDYLAPSA-N 381.276 4.029 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)C)cc2)c(C#N)c1C 1965091 QEORBEUFWOGOED-UHFFFAOYSA-N 386.473 4.246 30 40 GIEB N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 2407256 IDWJLPJYDALRAM-UHFFFAOYSA-N 378.863 4.117 30 40 GIEB C=CCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC 5131449 YEHWUBIYURSXFZ-UHFFFAOYSA-N 381.457 4.161 30 40 GIEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1OC 7734684 MGLMFPBDVNJJHI-QGZVFWFLSA-N 387.501 4.143 30 40 GIEB COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(C#N)cc3)cc2)cc1 8395411 UTIAZFZLASIFRP-UHFFFAOYSA-N 386.407 4.176 30 40 GIEB CC(=O)N[C@H](C)c1ccc(C2=NN/C(=N\c3cccc(C)c3C)SC2)cc1 12527510 YORHEWVQJLPERR-OAHLLOKOSA-N 380.517 4.229 30 40 GIEB C=CCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 12793260 CEZYOAQGIGEFRP-OAQYLSRUSA-N 392.499 4.204 30 40 GIEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 20761786 LPHJIRMQVNXWND-FSJBWODESA-N 384.819 4.431 30 40 GIEB C=CCOc1ccc(CN2CCC[C@H]2c2nc3ccccc3n2C)cc1OC 97032707 IANSMGVONFBPRK-FQEVSTJZSA-N 377.488 4.484 30 40 GIEB N#Cc1cccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1 101354170 OOAAUFQCFIGJMO-UHFFFAOYSA-N 394.434 4.054 30 40 GIEB C/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(OC)cc1 103371664 HUTHFJCWMNKCJX-AXVKYWCBSA-N 389.427 4.239 30 40 GIEB COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218473544 YLYWCXQADYNOIR-FGTMMUONSA-N 396.295 4.089 30 40 GIEB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)n2cc(C#N)c3ccccc32)CC1 226362804 ZXWOANDZKCEZOU-UHFFFAOYSA-N 388.427 4.346 30 40 GIEB Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1C 408771029 DPHVOFGOUBHJRE-DHDCSXOGSA-N 390.306 4.296 30 40 GIEB Cc1cc(/C=N/N2C(=O)CSC2=S)c(C)n1-c1cccc(C(F)(F)F)c1 409331805 OACBMKXCWRJUAH-ODCIPOBUSA-N 397.447 4.307 30 40 GIEB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 585294077 NNGAOUNTEFPDNE-JOCHJYFZSA-N 395.470 4.305 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 4803053 SHELBKQVJORADB-LAJNKCICSA-N 393.512 4.304 30 40 GIEB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H]12 4991327 IPTGADYNRWJWSJ-ZJZGAYNASA-N 388.463 4.134 30 40 GIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1 409289327 FUMRSINYPGNYAC-UHFFFAOYSA-N 388.240 4.304 30 40 GIEB C[C@H](NC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 2370422 JHAUZUIBRFOYAR-HKUYNNGSSA-N 399.498 4.105 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 28417866 JDCRZSBZIWYJRN-UHFFFAOYSA-N 384.501 4.242 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(-c2cccc(F)c2)c1C 8487075 LWTFWYGUQNNSQK-UHFFFAOYSA-N 380.448 4.231 30 40 GIEB Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 5345446 XYRDQBYOZPZFGG-LSHDLFTRSA-N 377.473 4.077 30 40 GIEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 17201349 BTIQAQKFOTYDAV-UIFIKXQLSA-N 394.600 4.478 30 40 GIEB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1ccccc1 408914768 XNQNOSWBJYYIPT-DLTWUOELSA-N 396.468 4.164 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Br)C1=O 409103818 ZCOSAPPUFKZBTG-RIYZIHGNSA-N 398.278 4.079 30 40 GIEB Cc1ccccc1OCc1nc(SCc2ccccc2F)nc(N)c1C#N 223683207 WNMCSXUTRSSGMY-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)I 95681775 UMPRKACBONFPEQ-UHFFFAOYSA-N 395.937 4.482 30 40 GIEB N#C[C@@H](CN1CCN(c2ccccc2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 12526614 JUHWVWNAMAJLHY-AHWVRZQESA-N 397.522 4.349 30 40 GIEB O=C[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OCc2ccccc2)cc1 1236719 PJVCFMWHRGYLTG-DOTOQJQBSA-N 383.494 4.068 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 18152143 JYSTTYUZXWSDLJ-IERDGZPVSA-N 393.483 4.078 30 40 GIEB C=C(C)COc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1 5351169 RBWZIAHCBSKPFO-UHFFFAOYSA-N 378.428 4.488 30 40 GIEB biogenic Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)o1 13759088 NESUTSFGBYNCCK-ODLFYWEKSA-N 391.335 4.332 30 40 GIEB Cc1cc(NC(=O)CSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)no1 803993 UIYSVTXFXOAJQZ-UHFFFAOYSA-N 398.410 4.297 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 1470343 WLEPEOFVKDPNJY-OAHLLOKOSA-N 382.466 4.296 30 40 GIEB C=CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C1CCCCC1 6586708 SMALCIIEKVZTNH-UHFFFAOYSA-N 399.516 4.258 30 40 GIEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/C=C/c1ccc([N+](=O)[O-])o1 16449135 XAQJFNLOSFOUJQ-LIDPDAEMSA-N 375.793 4.289 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 36398545 YCUQYENCZVDZRV-RTBURBONSA-N 391.515 4.016 30 40 GIEB C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 40155789 JDWZTAFVIVDUTC-ZDUSSCGKSA-N 394.418 4.491 30 40 GIEB N#C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccc(Br)c1 58179447 RHFAUWUQCYWWJO-MRXNPFEDSA-N 377.669 4.416 30 40 GIEB Cn1c(N/N=C2/CCCOc3cc(Br)ccc32)nc2ccccc21 84314080 CYIFEXGUDFCMEI-STZFKDTASA-N 385.265 4.325 30 40 GIEB C=CCOc1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC 97032708 IANSMGVONFBPRK-HXUWFJFHSA-N 377.488 4.484 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102531971 BNEXQGMSPKTWTI-LFVOPCPISA-N 394.427 4.125 30 40 GIEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416950 VHKGAEWNULMJMP-HXUWFJFHSA-N 384.907 4.368 30 40 GIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081839 CDWIXDPHVHPAFE-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 408731759 PPOIHPXJUWJGAE-OAQYLSRUSA-N 399.406 4.243 30 40 GIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 409070062 ZLSNDPAYQDVVDL-PDGQHHTCSA-N 385.439 4.457 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 4934979 SKZAEPYYNKXXRD-YTFSRNRJSA-N 381.447 4.224 30 40 GIEB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 5868793 LXTAWSHQLVFYPU-MRXNPFEDSA-N 385.489 4.128 30 40 GIEB COc1ccc(NC(=S)N/N=C/c2ccccc2C(F)(F)F)cc1OC 5986309 ARKQETYFHCXGPU-UFFVCSGVSA-N 383.395 4.043 30 40 GIEB N#CCSc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn12 6918736 LBXXOXHNDHESRS-UHFFFAOYSA-N 384.468 4.160 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 18203498 AXKJOYICQPZSAJ-LJQANCHMSA-N 396.874 4.170 30 40 GIEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302054 YKHRVGUKTFNBFT-FOKLQQMPSA-N 380.375 4.380 30 40 GIEB O=S(=O)(/N=C(O)/C=C/c1ccc(Cl)cc1)c1ccc(F)c2ncccc12 60361639 PVZUAJVDUAXCKY-BJMVGYQFSA-N 390.823 4.386 30 40 GIEB O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccco1 2416634 YXJURGPAKADVMT-UHFFFAOYSA-N 390.420 4.435 30 40 GIEB CCOc1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 862112 GJAMVQPQLKTWJP-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB N#Cc1ccc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 2660863 PLLDMLZLMUPVSM-UHFFFAOYSA-N 399.166 4.357 30 40 GIEB O=C(/C(=N\Nc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 104279762 ZXASDXFLOBWRET-QOCHGBHMSA-N 390.355 4.202 30 40 GIEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 57600740 YQXCQOOCMWBICS-CEWLAPEOSA-N 376.610 4.338 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[n+]1ccccc1 118914760 JCXKLDMPWBYJSG-XQLFKHJGSA-N 394.579 4.483 30 40 GIEB O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1 1902927 RLLFZFBANHSLCN-UHFFFAOYSA-N 381.247 4.390 30 40 GIEB CCc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265792 TVDJKDSTBJAALB-IBGZPJMESA-N 392.411 4.230 30 40 GIEB Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccncc1 5266705 GKGZBJBFEIZSHI-AFUMVMLFSA-N 394.438 4.196 30 40 GIEB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6307152 DJOUFEFSBDWYAP-FNORWQNLSA-N 386.835 4.220 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O 5443380 ZXTGZSXCZTXKGD-UYRXBGFRSA-N 381.428 4.460 30 40 GIEB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC/C2=N\O 13941942 UAMVBTRCGVPUDI-FYJGNVAPSA-N 392.864 4.345 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC)C1 19498622 MMVHAHADICSDMZ-HSZRJFAPSA-N 396.556 4.279 30 40 GIEB N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 7594162 FJRFKIABMJIGGZ-UHFFFAOYSA-N 397.356 4.039 30 40 GIEB CCOc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 992019 MPTWMHBZGUSFFR-UHFFFAOYSA-N 381.395 4.355 30 40 GIEB CC(C)=CC(=O)n1nc2c(c1CC(C)C)C(=O)C(Nc1ccccc1)=CC2=O 1866247 MDQLMPGZATXDTK-UHFFFAOYSA-N 377.444 4.063 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4952071 IJPWHHSNVWXTKV-SQULJVTFSA-N 381.501 4.329 30 40 GIEB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccccc1C#N 28367541 KYTYIHKZYJYMGB-HNNXBMFYSA-N 377.444 4.429 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O 51366945 KVHDHLDKXPQPLZ-BUDGLOEYSA-N 387.530 4.391 30 40 GIEB C=CCSc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 219801200 ZWGJDPXKZBLQGY-UHFFFAOYSA-N 379.485 4.015 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/OCc2ccccc2C#N)o1 408591167 IUFIJAPTRGQMEM-WSDLNYQXSA-N 377.356 4.286 30 40 GIEB Cc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1C 408964321 QSRKHDNXYFZTFP-CRURURDBSA-N 383.429 4.151 30 40 GIEB COc1ccc(/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409386660 WFNOZTIJTODRMU-UUYOSTAYSA-N 381.384 4.325 30 40 GIEB Cc1ccc(CN2CCCC[C@@H]2c2csc(=Nc3ccc(C#N)nc3)[nH]2)o1 585294952 WIUZNIGZGWKIKS-LJQANCHMSA-N 379.489 4.204 30 40 GIEB C=CCc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC)cc(OC)c1OC 58314090 ANHUMJXAMNQQND-HNNXBMFYSA-N 393.487 4.293 30 40 GIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@@H]1C)N(C)CC3)OCO2 20112007 FKYITSOBJSHMDA-YSLAMIOMSA-N 397.515 4.461 30 40 GIEB Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 69388307 RGRCKIRADXYJQH-UHFFFAOYSA-N 393.472 4.483 30 40 GIEB CC[C@@H](C)c1ccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408752024 BGTQBPMODPUHSQ-VTUXOVBNSA-N 393.512 4.275 30 40 GIEB Cc1cc(N=C2NC(=O)/C(=C/c3ccncc3)S2)cc(C)c1Br 408758680 PCMFDUNVNMGHKS-ZROIWOOFSA-N 388.290 4.353 30 40 GIEB C=CCn1c(COc2ccc(F)cc2)nnc1SCc1cn2ccccc2n1 5691611 MTZQKNKIWYPATM-UHFFFAOYSA-N 395.463 4.122 30 40 GIEB Cc1cc(N=C2NC(=O)/C(=C/c3cccnc3)S2)cc(C)c1Br 408763410 OAKRNWLWKPQNFK-ZSOIEALJSA-N 388.290 4.353 30 40 GIEB Cc1ccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] 409213270 SEWBQPPLQQWHOR-XKZIYDEJSA-N 376.416 4.456 30 40 GIEB CCCN1C(=O)[C@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 409160365 HEJVBAHHPDYLPF-XJUMHSELSA-N 398.484 4.008 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(Cn3nnc4ccccc43)c2)cc1 5007387 MUYCIHWCPCOYRE-NTUHNPAUSA-N 399.450 4.393 30 40 GIEB biogenic,in-vitro CC(=O)c1nn(-c2cc(Cl)ccc2Cl)/c(=N/N=C/c2ccccc2)s1 5726507 JURLZWXNZKXZIK-ZSNNVYISSA-N 391.283 4.378 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(SCC)oc1C 1421403 WRXFHHJADZUOLX-GOSISDBHSA-N 375.490 4.231 30 40 GIEB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1(C#N)CCCCC1 6784465 PFHNMHZRVNYBCR-UHFFFAOYSA-N 390.896 4.167 30 40 GIEB C#CCOc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10118693 ZKVFJFMPDPOYLL-CIAFOILYSA-N 377.669 4.238 30 40 GIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OC)c(OC)c3)cc2c1C 24825356 DLVMPUGOPVHNEJ-FNORWQNLSA-N 397.452 4.305 30 40 GIEB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)c1cccc(C#N)c1 58015653 DGRWQXPZKPQPQP-LLVKDONJSA-N 393.668 4.404 30 40 GIEB N#Cc1ncoc1N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 94992871 ATVIGACTTQYQDF-MYKKPKGFSA-N 388.818 4.498 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)c1c([nH]n(-c3ccccc3)c1=O)N2 102045877 MDQMQPMNMZTKHN-SFHVURJKSA-N 391.858 4.384 30 40 GIEB C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C 226550191 CHZJRGNDJLJLAW-GSXXTENTSA-N 380.528 4.199 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369444 CSBUEGHWYWGGEI-DNDIAACMSA-N 380.532 4.306 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 408533885 RGUHPPBVKJYMDA-PDGQHHTCSA-N 396.424 4.396 30 40 GIEB CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 409403970 NZFRZXAOZVSFHV-UHFFFAOYSA-N 399.450 4.353 30 40 GIEB N#C[C@H](NC(=O)c1c(F)cccc1-n1cccn1)c1cccc(C(F)(F)F)c1 1537848907 KUNUARLXFPKTHT-HNNXBMFYSA-N 388.324 4.025 30 40 GIEB C#CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OC 2093792 JFJYBHWQMBFVDT-UHFFFAOYSA-N 376.250 4.090 30 40 GIEB C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccco1 2181080 RYZIVAHFZIZPBC-UHFFFAOYSA-N 399.501 4.005 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(/Cc2ccccc2)[C@@H](O)Cc2ccccc2)cc1 4701140 QOKBYRYSSUNEBZ-JDSGXEOOSA-N 375.428 4.209 30 40 GIEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OC 5128358 JXPLTMNZIQVFGP-UHFFFAOYSA-N 387.229 4.319 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 6781563 GSSPODMFMKGDIV-IBGZPJMESA-N 397.471 4.192 30 40 GIEB COc1cc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 13692349 AHPZUNRZIZELEK-IBGZPJMESA-N 398.459 4.209 30 40 GIEB COC(=O)C1=CNC2=C(C(=O)CCS2)[C@@H]1c1ccc(-c2ccccc2)cc1 25315192 XIQUKMSWJGPPGO-LJQANCHMSA-N 377.465 4.015 30 40 GIEB COc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OCc1ccccc1 33417363 MVTPAOZCUAJINF-HAHDFKILSA-N 397.544 4.405 30 40 GIEB O=C(O)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681705 PYWWUCKTKBAQOL-OWOJBTEDSA-N 390.095 4.366 30 40 GIEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2c3ccccc3ccc21 100909679 UGETWNPJSJXZBE-VXPUYCOJSA-N 379.397 4.284 30 40 GIEB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1C#N 408806561 AACIJLCTRHPMHO-ODLFYWEKSA-N 394.452 4.202 30 40 GIEB C=CCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033586 JJEPYUQVXQSZKZ-AWEZNQCLSA-N 381.863 4.405 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 4814166 LZPHHTUPSJGXLM-ZUOKHONESA-N 394.837 4.486 30 40 GIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1 6386247 LLPZTTBLBXEYPM-KEBDBYFISA-N 375.881 4.328 30 40 GIEB Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 6391828 VBLOGBNHIUSRTG-UHFFFAOYSA-N 380.212 4.278 30 40 GIEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 6549697 FGRUIAWZHIWPFH-CQSZACIVSA-N 389.484 4.136 30 40 GIEB O=[N+]([O-])c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 12464494 YDZTVMFLSZTBCN-KOEQRZSOSA-N 398.466 4.316 30 40 GIEB CCOc1ccc(-c2cc(-c3ccc(O)c(OCC)c3)c(C#N)c(N)n2)cc1 19095846 SZGSZCIXHPEUAF-UHFFFAOYSA-N 375.428 4.372 30 40 GIEB O=C1/C(=C\c2ccncc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 20663763 KJXOYUKLCJDWIG-UDWIEESQSA-N 390.464 4.154 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(CCC)C1 72391183 NDIKDDLJJHWHOZ-DEOSSOPVSA-N 377.532 4.086 30 40 GIEB CCOC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc2c1CCCC2 101021479 ORWGILGYVXNGNX-UHFFFAOYSA-N 375.490 4.058 30 40 GIEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225050816 HHPPRGJVOMTHCA-UHFFFAOYSA-N 383.469 4.238 30 40 GIEB C=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OC)c1 226326210 INEZZIVHEPRYQN-UHFFFAOYSA-N 377.234 4.380 30 40 GIEB CC1(C(=O)NCc2ccc(C#N)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 515391764 ZERIKMOOBREBHX-UHFFFAOYSA-N 392.890 4.006 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 891571 IZODITIEMPJVLQ-RDTXWAMCSA-N 383.517 4.292 30 40 GIEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1)c1ccco1 2730094 GTBRQEYLTUNLMG-CYBMUJFWSA-N 394.740 4.239 30 40 GIEB CN(C)c1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 3398568 SXKPWCTXNRLPRI-UHFFFAOYSA-N 395.513 4.020 30 40 GIEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)c1C#N 4880942 ZDFZLNNZXKYIBG-UHFFFAOYSA-N 397.456 4.415 30 40 GIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 6154268 JYQJOZWHNIVLHM-SSDVNMTOSA-N 391.924 4.054 30 40 GIEB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cccc(C#N)c2)cc1 10950721 JPWDABSTVZASFG-HSZRJFAPSA-N 383.451 4.376 30 40 GIEB C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1OC 14069834 WBBBWSUMYPLAOP-UHFFFAOYSA-N 394.515 4.176 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OC(F)F)s2)cc1 25054665 KLOWJGNUBPKSQN-UHFFFAOYSA-N 385.395 4.459 30 40 GIEB CCOc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(CC)C1=O 33309047 ZAFIEIKXNMZNOF-DLTWUOELSA-N 396.468 4.407 30 40 GIEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 33838957 VUBSNEZHSXMUCR-WWKISRQKSA-N 386.532 4.225 30 40 GIEB Cc1ccccc1OCCCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084906 QEVHBJUFZYIMEO-PGMHBOJBSA-N 379.243 4.296 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 60100916 PRCXWZSFIKWVSA-UHFFFAOYSA-N 395.499 4.467 30 40 GIEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)c(OC)c2)c1O 102417350 IKVDDVKLLIJYNI-LPYMAVHISA-N 380.400 4.395 30 40 GIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1 104100390 SASSUNQEHMOPAV-MRJHHRETSA-N 385.419 4.322 30 40 GIEB CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)nc2ccccc21 610501590 YZYYAOCLDHODMU-HXUWFJFHSA-N 394.500 4.015 30 40 GIEB N#CC1N(C(=O)c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1647921 OHBVJNDFWZIINQ-UHFFFAOYSA-N 389.361 4.122 30 40 GIEB CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(OC)cc2)c(C)c1)C(F)(F)F 2306194 TXAJHURMADEUOZ-QVHMZZSFSA-N 395.377 4.067 30 40 GIEB C=CCNC(=S)NCc1c(Cl)cccc1O[C@@H]1CCOc2ccccc21 4110253 LCVMPBZNBXOELC-LJQANCHMSA-N 388.920 4.393 30 40 GIEB COc1cc(/C=N/c2nnc[nH]2)ccc1OCCSc1ccc(Cl)cc1 6735924 VPEYDORYPUDWJR-RGVLZGJSSA-N 388.880 4.388 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12793444 HXFADCOFNZUUOI-JYNAJPCDSA-N 391.467 4.400 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(C(=O)O)cc1)OCO3 18197460 MAUFLONFECFUFK-FQEVSTJZSA-N 391.423 4.314 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1 36418836 NHOLDGJSIDSXOK-ACPUWCFLSA-N 398.528 4.232 30 40 GIEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 96346448 UZYYCMIAZOEUJL-RTWAWAEBSA-N 384.483 4.140 30 40 GIEB COc1ccc(C(=O)Nc2cccc(/C=C3/Cc4c(O)cccc4C3=O)c2)cc1 96931952 WQVCBAOQFWIQKT-ATVHPVEESA-N 385.419 4.476 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102708904 LQRVYCAMUJLBOD-LFVOPCPISA-N 392.386 4.057 30 40 GIEB CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)ccc21 102914053 PMODBXPNEYUGQK-UHFFFAOYSA-N 398.466 4.127 30 40 GIEB CC[C@H](C)Oc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408911396 NDNMZSKXCQABRC-NUSHWZLESA-N 378.816 4.275 30 40 GIEB CCOc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 408980474 REVSYSKMWZUYIB-VMPITWQZSA-N 375.218 4.473 30 40 GIEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc2c(c1)OCCO2 409306218 PNPWBAALIIDBAD-UHFFFAOYSA-N 389.455 4.098 30 40 GIEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC=C)C1=O 409345769 JTTHICMLFGHDTI-UVTDQMKNSA-N 396.331 4.401 30 40 GIEB C=CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 409376005 RYPQPVLSEMAQFL-UUYOSTAYSA-N 388.851 4.211 30 40 GIEB N#Cc1c(Cl)cccc1S[C@H](C(N)=O)c1ccc(Br)cc1F 538949072 FQNWXIRCTDAIGB-AWEZNQCLSA-N 399.672 4.432 30 40 GIEB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(C#N)cc1)OCCO3 10368482 LIDLSKGVKNXCNV-MRXNPFEDSA-N 388.467 4.358 30 40 GIEB Cc1csc(C2=C(N)N(CCC(c3ccccc3)c3ccccc3)CC2=O)n1 13728437 YRWYEMBWKWNEOA-UHFFFAOYSA-N 389.524 4.186 30 40 GIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 408864713 ZHUFHQFTBQJCSD-AQTBWJFISA-N 397.500 4.479 30 40 GIEB C[C@@H](NC(=O)CCN(C)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 542061895 ROSMVIYQHKYFJB-GOSISDBHSA-N 384.483 4.324 30 40 GIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805080 HMCUIEBNFHYBFO-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB CO/C(=N\C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC(C)C 104011496 SSZSTMXWPLUYFN-FHEVRBNFSA-N 390.530 4.275 30 40 GIEB C=CC[C@H]1C=CC[C@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 5188448 SBHWYMPHTLLVGA-AVGNSLFASA-N 375.328 4.332 30 40 GIEB CCOC(=O)/C(C)=N/Nc1ccc([C@](C#N)(C(=O)C(C)C)c2ccccc2)cc1 11692134 SWXWVEIYKMQZOL-QADUPLGGSA-N 391.471 4.072 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348018 OLBQYDDMDYEANS-GOSISDBHSA-N 391.858 4.384 30 40 GIEB COc1ccc(/C=N/c2ccc(I)cc2C)cc1OC 3155846 WLXBKCAFJNHUSX-VCHYOVAHSA-N 381.213 4.367 30 40 GIEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1 4944946 KMWZLODZJSGVSH-SFHVURJKSA-N 395.430 4.371 30 40 GIEB C=CCOc1ccc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 5373085 YXHNNXJUHGROPO-UYRXBGFRSA-N 393.468 4.292 30 40 GIEB CCOc1ccc(C(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccco3)n2)cc1 6907934 WSZPRRVMLFXTOA-LBPRGKRZSA-N 395.440 4.076 30 40 GIEB C=CCNC(=O)c1sc2nc(CSc3cc(C)ccc3C)[nH]c(=O)c2c1C 11241210 YIFLYJYJJQFDCQ-UHFFFAOYSA-N 399.541 4.118 30 40 GIEB BrC(/C=N\N1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 13899263 DYNORDCFBLDDQF-MLCVWVIHSA-N 384.321 4.226 30 40 GIEB Cc1ccc(/N=C2\SCC(=O)N2CCc2ccccc2)c(OC(F)F)c1 36611316 UUNRNSFPDQIXNN-QOCHGBHMSA-N 376.428 4.402 30 40 GIEB COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1cccc(C(=O)O)c1 59249526 ZCGPZBDNVHFBLP-YDZHTSKRSA-N 377.396 4.429 30 40 GIEB C#CCn1/c(=N/C(=O)c2ccc3ccccc3c2)sc2cc(NC(C)=O)ccc21 100875857 XTQPSRWEFGKUCP-BZZOAKBMSA-N 399.475 4.189 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccccc3Cl)o2)cc1 408775151 OMRGANXVEIOPRF-FSJBWODESA-N 395.846 4.247 30 40 GIEB COc1cc2c(cc1/C=N/c1ccc(I)c(C)c1)OCO2 409075544 RPQHZZBNWLLVDS-QGMBQPNBSA-N 395.196 4.088 30 40 GIEB C=CCOc1c(Cl)cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OC 7274902 JMPUZLOTKMGSBU-UHFFFAOYSA-N 391.855 4.023 30 40 GIEB C=C(Br)Cn1c([C@@H]2CC(=O)N(CCCC)C2)nc2ccccc21 12062208 NEMCHZHUEGXHEW-CQSZACIVSA-N 376.298 4.061 30 40 GIEB C/C(=N\OCC(=O)Nc1ccc(C)c(F)c1)c1[nH]c(-c2ccccc2)nc1C 32916282 DQRAMWJYTILTJM-CVKSISIWSA-N 380.423 4.212 30 40 GIEB N#Cc1c(-c2ccccc2F)cc2n(c1=N)CCc1cc3c(cc1-2)OCCCO3 101380220 MOZPVHJDHHSJLZ-UHFFFAOYSA-N 387.414 4.030 30 40 GIEB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 248173957 UORBWZZLNHSZFQ-IMJJTQAJSA-N 386.517 4.361 30 40 GIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(OC)nc3)c2C)cc1 408777372 YBQNMWDTXJXTDH-QRVIBDJDSA-N 377.444 4.425 30 40 GIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 798049 SLJCSTXMCSCYNT-HXUWFJFHSA-N 388.423 4.070 30 40 GIEB CCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OCC 940350 PXPBDAHEIMPJKY-LPYMAVHISA-N 382.489 4.250 30 40 GIEB COc1cccc([C@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)c1OC 1653755 NGNMWZBDERUOGF-IEBWSBKVSA-N 390.501 4.444 30 40 GIEB CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCN(C)C2 1906494 XDXZVVMHFFPCSH-AWQFTUOYSA-N 378.881 4.022 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccccc1 3522131 LSLNPDAFPOPMEQ-UHFFFAOYSA-N 395.484 4.123 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1CC 6356445 JUDCGAULZIQWIU-UHFFFAOYSA-N 392.528 4.348 30 40 GIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 6463707 BVBVJMNQRSOASL-PGIWOYKXSA-N 394.423 4.198 30 40 GIEB biogenic CC(=O)NCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 8726821 RDDOFVNNYDGMOV-UHFFFAOYSA-N 384.435 4.123 30 40 GIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCC(C)=O)c3C)C1=O)cn2C 8993647 KQUYNSGFLMJELZ-ZVBGSRNCSA-N 391.423 4.079 30 40 GIEB CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13013227 VTXVTWBJCQEBLL-UHFFFAOYSA-N 388.798 4.051 30 40 GIEB Cc1ccc(O)c(/C=N\c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1 13801394 MOKNPLWMKCZBHW-JJFYIABZSA-N 386.517 4.456 30 40 GIEB CCn1c(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 17887250 GTMMIAHBKSZBQU-UHFFFAOYSA-N 399.516 4.122 30 40 GIEB Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)C(=O)c3ccccc32)cc1 18067758 UENRPKAVKZDMBQ-SILNSSARSA-N 380.252 4.059 30 40 GIEB N#Cc1ccc(OC[C@H](O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1 32899136 TXROWRHYMQQJII-IBGZPJMESA-N 391.496 4.289 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 225769753 KNYPQIFUDRJQIO-UHFFFAOYSA-N 378.472 4.280 30 40 GIEB CCOc1cccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)c1 408732616 SOVWERHLEIARPL-LFVJCYFKSA-N 384.439 4.065 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)c1C#N 409177797 HLLGFMMIDJAOEA-UHFFFAOYSA-N 375.881 4.101 30 40 GIEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 585106786 HZZAOLAIRZMWSX-JOCHJYFZSA-N 390.512 4.071 30 40 GIEB CCCc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585294717 UNFIBOJSGBWCDD-OAQYLSRUSA-N 388.475 4.369 30 40 GIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 20568849 OLKSSWLBAFUKAA-JOCHJYFZSA-N 389.451 4.104 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc3ncccc3c2)S/C1=N/c1nccs1 101227712 DCPAUFTXXNQDJL-GKFPWYADSA-N 378.482 4.481 30 40 GIEB N#Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 21004256 DCOMHHNCOZPKBT-UHFFFAOYSA-N 381.479 4.106 30 40 GIEB O=C(CNc1cccc(C#Cc2cccs2)c1)Nc1cccc([N+](=O)[O-])c1 29940966 DQFFAFIFZHGORX-UHFFFAOYSA-N 377.425 4.107 30 40 GIEB O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 8396724 KRMJODUPAYJHGY-UHFFFAOYSA-N 384.154 4.002 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3ccccn3)nc1N2 18198785 VYFQUNHJKSPNTN-KRWDZBQOSA-N 395.513 4.049 30 40 GIEB Cc1ccc2nc(NC(=N)/N=C(\O)COc3ccc(Cl)cc3)nc(C)c2c1 36489953 MTKQKXVHOMJWSZ-UHFFFAOYSA-N 383.839 4.282 30 40 GIEB CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5245211 YNXISBGXFBSCMX-KSFYIVLOSA-N 386.455 4.093 30 40 GIEB C=CCn1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 1147407 OCJIQQVYWFREQG-UNOMPAQXSA-N 375.403 4.059 30 40 GIEB CCCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 4062816 PIPVGFCNYNRMSL-XQNSMLJCSA-N 395.484 4.422 30 40 GIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 5878335 XOKNORRLBNQFIS-CYBMUJFWSA-N 376.547 4.184 30 40 GIEB N#Cc1ccc(Oc2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)cc1C#N 6591980 MYYFTSIMQLWFFH-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)c1ccnc(Cl)c1 32823643 BCADNACTPHZSMY-LCDJAWGCSA-N 375.881 4.399 30 40 GIEB COc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)cc1 59302781 RZEYOXNYSVMPNF-XDHOZWIPSA-N 377.469 4.387 30 40 GIEB O=C(/C=C/c1c(C2CC2)nc2sccn12)c1ccc(N2CCCC2=O)cc1 89781017 ALFUPPNMQPWFSH-MDZDMXLPSA-N 377.469 4.296 30 40 GIEB COc1cc(OC)cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101472703 MOPJQUJLXPIDNK-UHFFFAOYSA-N 384.194 4.355 30 40 GIEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1ccc(Cl)cc1Cl 102726532 OHSTWEIIWSESSJ-REWBMPMASA-N 386.242 4.466 30 40 GIEB C/C(=N/CCCCCC/N=C(/C)c1cc(O)ccc1O)c1cc(O)ccc1O 104229034 AXRDETRSRUTCQN-MPKYGIEOSA-N 384.476 4.388 30 40 GIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224636701 MEWUXIQHSNZQLN-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408730300 FNVNLWXPGLIENG-KRWDZBQOSA-N 389.795 4.067 30 40 GIEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408857017 MPTVUGNHTRYSLG-FSJBWODESA-N 393.491 4.462 30 40 GIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(O)c(Br)c1 408863274 MNZSAGOMPJXAEC-ZSOIEALJSA-N 393.237 4.185 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409126476 OLAOHORGSFFTEP-PXLXIMEGSA-N 384.435 4.498 30 40 GIEB N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCCO4)C3)cc2Cl)c1 585123641 TTWLXFIONWGAMC-UHFFFAOYSA-N 397.862 4.187 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ncccc2C)n1 585293208 DNDPLOJZZRKQBJ-QFIPXVFZSA-N 399.502 4.226 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2665095 HHEXOWMSXNRQNF-UHFFFAOYSA-N 397.390 4.162 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 102508289 HUIZTXNAHWXQCM-LFVOPCPISA-N 399.874 4.107 30 40 GIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S1)C2 101535229 LQFAYIHXQNLLRS-BGOYQCKWSA-N 398.488 4.357 30 40 GIEB CC1(C)[C@@H](c2nc(C#N)c(NCCCn3ccnc3)o2)[C@@H]1C=C(Cl)Cl 27529801 IQYFKTRBVWXFAX-SMDDNHRTSA-N 380.279 4.304 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 2304581 ZDGAPVBAKDJXBQ-MQBMHJJESA-N 399.491 4.469 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 2487286 FCOCIHLGGZYFBV-KSSFIOAISA-N 398.528 4.362 30 40 GIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 13136007 ROHGXJVVLVRSCT-MEBBXXQBSA-N 387.530 4.287 30 40 GIEB COc1ccc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1[N+](=O)[O-] 408975005 ILVXUXHDNQKORS-RGVLZGJSSA-N 395.375 4.065 30 40 GIEB CC1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)CC1 4310169 QZNLMHPQHOSZFJ-SFHVURJKSA-N 392.503 4.349 30 40 GIEB aggregator C=CCNC(=S)N/N=C/c1ccc(OCCCOc2cccc(C)c2C)cc1 4676943 VJBCUBJQBUDVGU-LFVJCYFKSA-N 397.544 4.135 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 5705299 PKSWFWGCWIEQQD-UHFFFAOYSA-N 377.800 4.418 30 40 GIEB COc1ccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1C#N 95993105 JZQUPKWMSJTKFH-SFHVURJKSA-N 379.508 4.112 30 40 GIEB C/C(=N\NC(N)=S)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918170 GAYVUWZJMHOLMM-MBHBUSBVSA-N 391.625 4.215 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)c(C)c1 409104432 ZQCKSKRHNZMTIP-OEAKJJBVSA-N 382.460 4.150 30 40 GIEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN(C)C)n2)cc1 96346460 CBXVEERJLYMHLC-UHFFFAOYSA-N 381.423 4.301 30 40 GIEB C#CCn1cc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)c2ccccc21 12089313 MZRUVEDYNXRAPC-LJQANCHMSA-N 385.467 4.020 30 40 GIEB N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 4072650 PJJLYMXVUGRSEA-UHFFFAOYSA-N 384.804 4.496 30 40 GIEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c1 575613130 PFABEICLMOBEEY-AWEZNQCLSA-N 391.258 4.335 30 40 GIEB COc1ccc(/C(=N/O)c2ccccc2/C(=N\O)c2ccc(OC)cc2)cc1 104249641 MKJDSBCMBKUHCH-SXAUZNKPSA-N 376.412 4.157 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 55728610 QDRURQWBJHICIA-QGZVFWFLSA-N 399.450 4.241 30 40 GIEB CCOC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 799057 FIJXAHJKKFLVSL-UHFFFAOYSA-N 384.354 4.433 30 40 GIEB COc1ccc2c(c1)CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2(C)C 104097255 BJGXYMRZVJJFDD-DYTRJAOYSA-N 384.392 4.204 30 40 GIEB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 2225704 ALFCGJCDQVFSTG-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB N#Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 13000599 XOKDNORTTUVRBE-UHFFFAOYSA-N 391.862 4.449 30 40 GIEB N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 7947414 IPONUHRUUYTGBP-HXUWFJFHSA-N 380.494 4.234 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2O)nnc1-c1cccc(C)c1 9582901 VMNGOKBCKUMLCH-UHFFFAOYSA-N 394.500 4.184 30 40 GIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1occc1C 409327306 RZCIUNRILQTENC-NSHDSACASA-N 388.265 4.456 30 40 GIEB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCC#N 85382185 LDILWQXGJLSRBW-AQTBWJFISA-N 379.441 4.070 30 40 GIEB CC(C)n1ncc2cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cnc21 23881899 LDSNPRIWSQXYPM-UHFFFAOYSA-N 381.439 4.059 30 40 GIEB Cc1ccc(S(=O)(=O)/N=C(\O)c2sc(-c3ccccc3)nc2C)cc1C 40129769 MHGWHTKJKFBMDW-UHFFFAOYSA-N 386.498 4.429 30 40 GIEB COc1cc(/C=C2/S/C(=N/c3ccccc3C(F)(F)F)NC2=O)ccc1O 1297632 CUMVYKIBMZFSHS-OQLLNIDSSA-N 394.374 4.311 30 40 GIEB C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@@H](c3ccccc3Cl)N2C1=O 1626645 GJCMXDRHNNBPEY-BMLIUANNSA-N 380.856 4.322 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 2069332 OJYNYUADRROHAL-GOSISDBHSA-N 391.389 4.403 30 40 GIEB O=C(Oc1cccc(/C=N/c2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2166314 UKVSJNPOHQMVOC-FYJGNVAPSA-N 391.339 4.473 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(C)c(C)c2c1=O 2394546 KTRUPTNGSHCDJK-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB CCc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1 5529353 LPDPTKXSRUVEEG-MRXNPFEDSA-N 387.892 4.150 30 40 GIEB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc1 6732462 IXAZQWVXRNWFJK-HXUWFJFHSA-N 390.418 4.115 30 40 GIEB CCOC(=O)c1cc(C#N)c(SCCOc2ccccc2Cl)nc1C 7149358 JMZLMMOKKXAOPD-UHFFFAOYSA-N 376.865 4.263 30 40 GIEB Cc1ccc(/N=C2/S[C@@H](Cc3cc4c(cc3Cl)OCO4)C(=O)N2C)cc1 8371717 IBTDZWXBKSVNIZ-JLUOLNIDSA-N 388.876 4.181 30 40 GIEB C=CCOc1ccc(NC(=O)c2ccccc2I)cc1 8554750 ZBYIPNNYFJIJHX-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc(Cl)c1 22608194 GCMOTIIOQZCRPI-RTHLEPHNSA-N 382.773 4.218 30 40 GIEB CC(C)c1ccc([C@@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1 96345968 SLHONPPTTKSKJQ-HXUWFJFHSA-N 382.508 4.278 30 40 GIEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/[C@H]1C[C@H]2C=C[C@H]1C2 102444478 BWYUFBYFMSKENV-IPRDLIQFSA-N 383.517 4.201 30 40 GIEB CCCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 102568120 KOHOVPZKUAGVNF-UHFFFAOYSA-N 378.557 4.439 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 408916654 FSUBGSMHPDHTIT-CPNJWEJPSA-N 380.469 4.162 30 40 GIEB N#C[C@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCCC1 2307828 CHOPZNKRDJRKMB-SFHVURJKSA-N 391.519 4.066 30 40 GIEB CCN(CC)C(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCCC2 4450394 UWJZVYGVARBOJN-UHFFFAOYSA-N 385.455 4.201 30 40 GIEB C=CCN1C(=O)N[C@@H](c2ccc(F)cc2F)C(C(=O)Nc2ccccc2)=C1C 14241585 KUODXSCPUKOLLQ-IBGZPJMESA-N 383.398 4.130 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(F)cc1 16741382 MEUXIADUIZYNQS-HXUWFJFHSA-N 395.430 4.297 30 40 GIEB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 18195260 OZASPZRQVTUFQZ-OAQYLSRUSA-N 387.483 4.324 30 40 GIEB COc1ccc([C@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1OC 27990733 IFACGQDBWAGQTI-HNNXBMFYSA-N 398.488 4.007 30 40 GIEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c1 101651201 VDFLWFNHMWXBMP-MLSMKVKPSA-N 381.501 4.202 30 40 GIEB C=C(C)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCCC3 2232958 UALXFZBWKCITIS-UHFFFAOYSA-N 386.904 4.322 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1C 2337768 PTFPDTXBIFHFPQ-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3318474 FEDFCVOUPSSOHC-UHFFFAOYSA-N 395.846 4.198 30 40 GIEB Cc1nc2ccccc2n1CCc1nnc(S)n1N=Cc1ccccc1Cl 4235714 YYGOUWRXXMYUNP-UHFFFAOYSA-N 396.907 4.003 30 40 GIEB N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 5023440 VBOSTURIRTZNJC-XYGWBWBKSA-N 390.399 4.395 30 40 GIEB C=CCOc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 5373087 DRVCAUJCOAXISK-ATVHPVEESA-N 380.425 4.032 30 40 GIEB COc1ccc(-c2nnc(S)n2/N=C\c2ccccc2C(F)(F)F)cc1 5745013 NNCNSHNFEQCDKK-FBHDLOMBSA-N 378.379 4.143 30 40 GIEB C=CCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 8470455 KYHBLFQXCLWRIR-UHFFFAOYSA-N 380.257 4.451 30 40 GIEB C/C(=N\Nc1cc(C)nc(NCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 9334307 WRKFUTGCRZAWRB-BUVRLJJBSA-N 376.420 4.141 30 40 GIEB N#Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)sc2c1CCC2 9483743 MDZFDTSZNBHVFI-UHFFFAOYSA-N 388.905 4.369 30 40 GIEB CC(=O)n1nc(C)c2c1N[C@@H](c1ccc(N(C)C)cc1)C1=C2CC(C)(C)CC1=O 16266208 LJRARJLRFCNPDL-NRFANRHFSA-N 392.503 4.227 30 40 GIEB N#Cc1c(N)nc(SCC(=O)c2ccc(F)cc2)c(C#N)c1-c1ccccc1 19117338 HMBYAJNDLDITKJ-UHFFFAOYSA-N 388.427 4.188 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 19972775 HPTVFBGNPQNWPX-SFHVURJKSA-N 375.415 4.132 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(Cl)c1O 40146064 BSXUGMTVWYFYLN-FPYGCLRLSA-N 398.846 4.263 30 40 GIEB O=[N+]([O-])c1ccc([C@@H]2C3=C(CCC/C3=N\Nc3ccccc3)O[C@@H]2[N+](=O)[O-])cc1 100929262 PCCWWUSSXJZSRG-ZIBBAYHHSA-N 394.387 4.218 30 40 GIEB COc1cccc(OCc2nc(SCc3ccc(C)cc3)nc(N)c2C#N)c1 223693479 CRODQPJAVHGCIJ-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749078 JMZSMXDXXJPBJN-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2)CC1=O 4910478 NVEPSQGSLWPCCF-LJQANCHMSA-N 389.499 4.316 30 40 GIEB Cc1cc2nc(N(CCCN(C)C)C(=O)c3ccc(C#N)cc3)sc2cc1C 5152673 NSBFWFOFJWDZPA-UHFFFAOYSA-N 392.528 4.383 30 40 GIEB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5429235 XFRZTBZDCUBMAG-HYTQYMIGSA-N 393.483 4.236 30 40 GIEB Cc1ccc(C2=NN(C(=O)CNc3ccccc3C#N)[C@@H](c3ccco3)C2)cc1 7975605 GTSWINFZYQRYJK-OAQYLSRUSA-N 384.439 4.250 30 40 GIEB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cccc(C#N)c2)cn1 47338235 VSDIZHLAAXCDJP-UHFFFAOYSA-N 388.427 4.466 30 40 GIEB CCCC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=N/Nc1ccc(Cl)cc1 104192067 XKIGDNJCLLKNHN-HEHNFIMWSA-N 385.811 4.219 30 40 GIEB O=C1/C(=N\Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2N1C1CSC1 223753037 DQBHZNKKEHMAIG-JWGURIENSA-N 396.274 4.411 30 40 GIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224725204 AWBUEXRGIISYDJ-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB CCOCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 408928891 FSCCBIHRRUJXJG-OPAWIXSSSA-N 395.528 4.393 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(OCC)c3)S2)cc1 408954172 RQAFSBBAHVJBFC-CPNJWEJPSA-N 398.484 4.384 30 40 GIEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 409057432 PYKGYZQFDCGRCU-MSYUKONTSA-N 382.441 4.017 30 40 GIEB CCN(CC)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409402501 FMNGPKIWIHKENR-UHFFFAOYSA-N 386.455 4.385 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(\Cl)C=NNc2ccc(F)c(Cl)c2)cc1 575626925 PEDTXOITXZVMDG-UXGPQIRTSA-N 399.205 4.499 30 40 GIEB C=CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(C)(=O)=O 107726943 UHIJUUDAWVEAGK-UHFFFAOYSA-N 380.469 4.044 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2SC)nc2ccccc2c1=O 3249621 BIFVPELTSHUSRL-UHFFFAOYSA-N 397.525 4.035 30 40 GIEB Cc1ccc2c(c1)/C(=C1/S/C(=N/c3ccc(C)c(Cl)c3)NC1=O)C(=O)N2 18128405 DVSRTEAEVPVWTJ-NXVVXOECSA-N 383.860 4.171 30 40 GIEB COc1ccccc1N=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1 408720878 GVSLTUJXIYFNOE-DHDCSXOGSA-N 389.820 4.148 30 40 GIEB COc1ccc(CN/N=C/c2cc(C)n(Cc3ccccc3)c2C)cc1OC 20196720 VRWZVFTXGJYDEL-MFKUBSTISA-N 377.488 4.294 30 40 GIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)[C@H]1C=C[C@H]2CC1 408718731 CGYBBRJWBBHROT-VPUWNLJISA-N 380.831 4.131 30 40 GIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1 225817919 BJQVKBRQUAWWDS-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB CN(Cc1ccc2c(c1)OCCO2)c1c(C#N)cnc2ccc(OC(F)F)cc12 40149438 MUNVRKUNQDSLHP-UHFFFAOYSA-N 397.381 4.115 30 40 GIEB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)N1CCCC[C@@H]1CC 3188580 TYRWGHYOSYAQLG-QOBDKFOYSA-N 382.302 4.002 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 5194467 UTWYFXSOFXTPGO-BUVRLJJBSA-N 385.471 4.038 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(C)cc1 5500663 STVDQSTYNLFPPU-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CCn1c(SCC(=O)N(CCC#N)c2ccccc2F)nc2ccccc21 6652766 BYBBSAXRPIHQSR-UHFFFAOYSA-N 382.464 4.234 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 6945550 RUARBCNXUAMPMI-UHFFFAOYSA-N 391.478 4.085 30 40 GIEB N#Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 9985004 KBCMTBCTSAIXGM-HSZRJFAPSA-N 388.492 4.393 30 40 GIEB N#Cc1cnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc1N 12607202 UMYMODHJEFQPTH-UHFFFAOYSA-N 393.419 4.365 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 12659835 UNCXCKBXOLLLTG-HAYPCEDWSA-N 399.531 4.108 30 40 GIEB biogenic C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1 16741388 YKTUXWVCYJXSLX-HXUWFJFHSA-N 377.440 4.158 30 40 GIEB CCCCCCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)cc1 103016850 HBKUINRFOFGNDW-KOEQRZSOSA-N 397.523 4.108 30 40 GIEB CCOC(=O)c1cc(/C=C2/SC(=O)N(CC)C2=S)sc1/N=C/N(C)C 103442107 XKZDBGWOUPYONI-MAJDQBKLSA-N 397.547 4.003 30 40 GIEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[n+]1ccccc1 253617127 JCXKLDMPWBYJSG-DKFDVFDGSA-N 394.579 4.483 30 40 GIEB N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CC[C@@H](c2ccccc2)C1 256046490 GDIDPBWWIRJMQF-OAHLLOKOSA-N 383.377 4.152 30 40 GIEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc12 408723108 NBVUKPUPFCXGOU-NMVIODOPSA-N 380.447 4.442 30 40 GIEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408815575 RUHPIIRMGGFEEV-FMCGGJTJSA-N 392.411 4.041 30 40 GIEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1 408887112 NZILDAYHPYJFCU-SSDVNMTOSA-N 396.790 4.308 30 40 GIEB Oc1cccc(/N=C\c2cc(Br)c(I)o2)c1 408953981 RESGVJNNJHZHSR-NSIKDUERSA-N 391.990 4.103 30 40 GIEB CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)N[C]1SC2=C(CCCC2)[C@@H]1C#N 409416306 ZVJVQKDDQPVSCM-LSDHHAIUSA-N 387.554 4.285 30 40 GIEB C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 11689719 BSWUGTZLUADDFH-CNPYVQQSSA-N 375.856 4.033 30 40 GIEB C=CCOc1c(Br)cc(CNCc2ccc(F)cc2)cc1OC 8470093 HWCQWIXWMZKSGI-UHFFFAOYSA-N 380.257 4.451 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102857046 OSEJIHKSNQBYPV-WOOAAIBNSA-N 390.826 4.361 30 40 GIEB Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 3276413 NRSPJVIBFMUBCF-UHFFFAOYSA-N 395.462 4.171 30 40 GIEB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n(C2CCCC2)c1C 6551452 BOVVIZUYKQPVIK-UHFFFAOYSA-N 399.476 4.126 30 40 GIEB COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1OC 9314341 SKAOXACCZOQGQL-VOTSOKGWSA-N 392.835 4.279 30 40 GIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1cccc(F)c1 409088118 DGPDCBOSKAHHDT-ODLFYWEKSA-N 381.403 4.458 30 40 GIEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C#N)cc12 1354269 LUGYHQZSOGLUOV-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB O=C1/C(=C\c2ccco2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 20624906 QRGNBLBWDMELGE-YBFXNURJSA-N 379.437 4.352 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2cccc(Cl)c2)no1 102870730 LSQCOZOMINSSJH-GROYHEBESA-N 398.802 4.164 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)o1 796027 OWHPGNWKICPWQW-LJQANCHMSA-N 377.396 4.002 30 40 GIEB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 28781596 LNUNMBCRLGZFHN-UHFFFAOYSA-N 380.425 4.160 30 40 GIEB O=S(=O)(N/C(=N\c1ccc(F)c(F)c1F)c1ccccc1)c1ccccc1 13125440 WXRCOHDAIVXIEC-UHFFFAOYSA-N 390.386 4.161 30 40 GIEB COc1cc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCC#N 6648625 SYCDRRVNLKGOCV-VMPITWQZSA-N 379.441 4.168 30 40 GIEB N#CCCSc1ccccc1NC(=O)c1ccc(CN2CCSCC2)cc1 95953538 VXVSYJAENRIOAJ-UHFFFAOYSA-N 397.569 4.493 30 40 GIEB CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 24864702 OJHZXRBQZOXPSW-UHFFFAOYSA-N 390.443 4.076 30 40 GIEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(F)cc1 13845426 RIYHMBASMRZHOO-UHFFFAOYSA-N 385.464 4.483 30 40 GIEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 17078369 FKZRJINBVOSLTC-LLVKDONJSA-N 383.542 4.488 30 40 GIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 9048392 CFCKVBVBCOSUDO-GQFJFNLSSA-N 382.412 4.032 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2463603 LCKPPQBKXZFYIO-KSSFIOAISA-N 384.501 4.188 30 40 GIEB Oc1ccc2ccccc2c1/C=N/Nc1ncnc2c1cnn2-c1ccccc1 4577768 LPEQSJOBNNJKGS-BRJLIKDPSA-N 380.411 4.120 30 40 GIEB CC[C@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 30809269 DWBSBILEYNPGGM-FBRGWYAUSA-N 393.241 4.376 30 40 GIEB O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@H](N2CCCC2)C1 58309905 LGHCRLWZLVEHDP-FQEVSTJZSA-N 379.529 4.240 30 40 GIEB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95671233 WMFYUMIVMKSLSX-UHFFFAOYSA-N 380.512 4.079 30 40 GIEB C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676765 ADYNCUBVNWLXQE-UHFFFAOYSA-N 390.095 4.412 30 40 GIEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 219808762 JOEICKPVXXWDKB-MRXNPFEDSA-N 396.512 4.126 30 40 GIEB COc1ccc(OCCn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1 225862517 HEFYNJAVHGDUBO-UHFFFAOYSA-N 381.863 4.274 30 40 GIEB COc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c(OC)c1 408752628 FPGVNIXZGBISGO-VWKPWSFCSA-N 377.400 4.310 30 40 GIEB CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)N[C@H]1c1ccccc1 408989752 LWYJSPQUZQIQQL-FQEVSTJZSA-N 391.496 4.329 30 40 GIEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1304047 BKGHXCZAKDLDTK-BKAYVGFPSA-N 387.486 4.167 30 40 GIEB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#N)cc1 3414182 KUYSWWLBVPBFII-UHFFFAOYSA-N 390.270 4.356 30 40 GIEB Cc1ccccc1NC(=O)c1ccc(N/N=C/c2ccccc2O)c([N+](=O)[O-])c1 4593047 CUGCGTYXPCRTLR-LPYMAVHISA-N 390.399 4.307 30 40 GIEB CCOc1ccccc1C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N 6046324 FLFRJIDXWBQQJL-UHFFFAOYSA-N 385.489 4.061 30 40 GIEB C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 6421051 VASRJIHSDTWQOQ-MMQHEFTJSA-N 388.345 4.161 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 6720106 BGABIROZKWKFMT-IBGZPJMESA-N 399.874 4.263 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1 10325862 SPZKHSXAMMZCET-IBGZPJMESA-N 385.467 4.366 30 40 GIEB N#CCSc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 12523503 KOUXLCKFCNRJLS-UHFFFAOYSA-N 380.517 4.343 30 40 GIEB Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccc(C#N)cc3)n2)cc1 27917067 PMTNYZGEYPKJSF-UHFFFAOYSA-N 395.260 4.126 30 40 GIEB COc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)cc(OC)c1OC 53091219 MIBRDMHEPBOXCC-MDZDMXLPSA-N 376.412 4.066 30 40 GIEB Cc1ccccc1N/N=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 95215280 FEIJZMBSLCOAFZ-DARPEHSRSA-N 399.410 4.122 30 40 GIEB CCCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 97944168 HCSKCZJAJYIPFM-AWEZNQCLSA-N 380.558 4.065 30 40 GIEB Cc1nn(-c2ccc(C(=O)Nc3ccccc3C#N)cc2)c(C)c1Br 102831472 YLZRVHMZWQFMPG-UHFFFAOYSA-N 395.260 4.376 30 40 GIEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408619013 FOBXEXPUFNAFHM-UHFFFAOYSA-N 387.464 4.264 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408819419 RZEYOXNYSVMPNF-UNOMPAQXSA-N 377.469 4.387 30 40 GIEB Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1CC#N 409037238 MGUHRZIRMSOGEW-KTZMUZOWSA-N 380.267 4.187 30 40 GIEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 6549625 CQMMICYIQRAGAA-CQSZACIVSA-N 389.484 4.136 30 40 GIEB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 6657196 VPBYUYOSMCCFGB-GFCCVEGCSA-N 399.541 4.270 30 40 GIEB C/C(CC(=O)Cc1ccccc1)=N/CC/N=C(\C)CC(=O)Cc1ccccc1 104364293 UXWJIULUAABLEN-GAHATOAQSA-N 376.500 4.312 30 40 GIEB C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC=C)cc1 2705533 SPCYXEXHAGYYJS-SFHVURJKSA-N 381.453 4.077 30 40 GIEB COc1ccc(-n2cnc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc32)cc1 860975 FCHDGAOAWLVSOS-WSDLNYQXSA-N 388.383 4.399 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@H]12 408728408 LPLPLDUEOPRMFY-VUUXHMSQSA-N 390.442 4.129 30 40 GIEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCN(c2ccc(F)cc2)CC1 16741560 TXPMBYYKSBILKO-UHFFFAOYSA-N 382.826 4.332 30 40 GIEB C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3458753 DETOTQKKPIVIFY-GFCCVEGCSA-N 390.574 4.476 30 40 GIEB C=CCc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc(OC)c1OC 12998049 AHGIZLGAXNOSKI-UHFFFAOYSA-N 380.448 4.010 30 40 GIEB COc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1 4084391 MKHJYTXVDZGBMJ-NDEPHWFRSA-N 394.427 4.125 30 40 GIEB Cc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1 4589474 LCGZXVBJSNULGU-HAVVHWLPSA-N 378.524 4.212 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccn1-c1cccc(C(=O)O)c1 4687976 VEPCJXHVLQGSAD-AQTBWJFISA-N 389.436 4.067 30 40 GIEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 18137001 RLWMRMSCQFHJPI-CQSZACIVSA-N 394.283 4.241 30 40 GIEB COC(=O)c1oc(CO/N=C(\C)c2nc3ccccc3n2C(F)F)cc1C 96157995 PRXGVWSZTSCTBU-SSDVNMTOSA-N 377.347 4.060 30 40 GIEB Cc1cc(C)c(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)c(C)c1 408964289 QOJLDHDJYWPWGR-LXBZPWOBSA-N 397.456 4.459 30 40 GIEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OC 409400749 ASGKQHANZLEMIQ-UHFFFAOYSA-N 399.450 4.353 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c[nH]c2ccccc12 409308091 WEQOZUIRTFXDRA-UHFFFAOYSA-N 395.260 4.085 30 40 GIEB Cc1c(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)NC2=O)c2ccccc2n1C 408810029 JTEQXEARZOKQAI-WQRHYEAKSA-N 391.452 4.077 30 40 GIEB C[C@H]1CCCN(Cc2ccc(CNC(=O)CCc3ccc(C#N)cc3)cc2)C1 32930095 DQENCBRUXLGERV-IBGZPJMESA-N 375.516 4.039 30 40 GIEB COc1cc(/N=C2/C(=O)N3c4c(cc(OC)cc42)C(C)=CC3(C)C)cc(OC)c1 16756302 MQGDAKAVJNLHKR-HIXSDJFHSA-N 392.455 4.375 30 40 GIEB C(=N\N=c1/[nH][nH]/c(=N/N=C\C2CCCCC2)c2ccccc12)\C1CCCCC1 4946481 DEIUFPGNYMZUAV-MPKYGIEOSA-N 378.524 4.430 30 40 GIEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@@]1(C)CC[C@H](C(C)(C)O)O[C@@H]1C3 607776 KQYZOQQWBTXSDF-REHUZNOOSA-N 398.499 4.269 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 657486 RXOFFMHTWDENPA-OEAKJJBVSA-N 398.459 4.026 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 2055323 RDMOAHZNNKLCMP-NRFANRHFSA-N 383.488 4.397 30 40 GIEB CN(C)c1ccc(/C=C/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 8627732 TXOBEVDYMLFYEO-WVAHHYLBSA-N 382.577 4.185 30 40 GIEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1CCCC 13843013 GDULOQHOVUWZNE-UNEBPCJRSA-N 375.538 4.224 30 40 GIEB C/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 17025347 GAISZMMQCBVPEY-QGMBQPNBSA-N 387.244 4.115 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960016 UDZAZDDPMGKNSZ-BLVKFPJESA-N 380.835 4.249 30 40 GIEB C=CCOc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1OC 32900404 FKIHBDRTHBFBRL-UHFFFAOYSA-N 389.373 4.060 30 40 GIEB COc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1O 96973211 HXSORPIHQUUKEL-MICXRRPDSA-N 381.384 4.148 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 225776315 XPZXELDZKUTEPK-UHFFFAOYSA-N 382.435 4.173 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Br)cc1 409236907 GUIQTLAOSSIJFA-DEDYPNTBSA-N 375.266 4.045 30 40 GIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccnc1 2384705 LTRBABRIDDKNSM-UHFFFAOYSA-N 393.516 4.128 30 40 GIEB COc1ccc(/C=C2\Oc3c(cc(CN4CCCCC4)c(O)c3C)C2=O)cc1 23127122 JHXZQVQHXSOUDO-NDENLUEZSA-N 379.456 4.311 30 40 GIEB biogenic C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 7745494 FCYVULAVIIGFCC-GQCTYLIASA-N 384.815 4.028 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1 2238451 JOMYYGPJZAQWNQ-VGLIXDPASA-N 391.855 4.069 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N1CC 408928469 BQGZUCDGBFHYOT-UCEMORSKSA-N 384.457 4.045 30 40 GIEB N#Cc1ccccc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1 7947290 URELQSJSMUVNRE-FQEVSTJZSA-N 380.494 4.234 30 40 GIEB C[C@@H]1CN(c2ncc(/C=N/Nc3ccc(C(F)(F)F)cc3)s2)C[C@@H](C)O1 4091799 HYYWNEZYJFHABR-YQHMCWEBSA-N 384.427 4.222 30 40 GIEB C=CCn1c(C)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 8147081 RDRRRKZXNMOPEA-HNNXBMFYSA-N 385.562 4.355 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(F)c1)c1ccccc1 17993736 YJCMCNCTESFGPL-HXUWFJFHSA-N 389.382 4.314 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226691479 AXGLADQVUKIHHX-SVDFPCJCSA-N 388.467 4.158 30 40 GIEB C=CCn1c(SCc2nnc(SC)s2)nnc1-c1ccccc1OC 48309583 AWZFUZFGAWMPKH-UHFFFAOYSA-N 391.547 4.005 30 40 GIEB C=CCSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 16008376 WZPMFSBGMLOSIG-UHFFFAOYSA-N 376.290 4.141 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 8022422 LRHYGAAQXDFBHT-FQEVSTJZSA-N 397.446 4.219 30 40 GIEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2ncc(C#N)c2N1 101475058 YREDYJZCNUOTDU-SFHVURJKSA-N 375.457 4.052 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)c(C#N)cc2c1 1354555 LPKUUKUXTURFCK-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CCC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(=O)CC)n2c(C)nnc2S1 4518321 KPIJVJXKYHLBSS-UHFFFAOYSA-N 398.532 4.212 30 40 GIEB CCc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 8058008 NGGRCGYRPFNJHA-HXUWFJFHSA-N 382.510 4.250 30 40 GIEB C=CCOC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 3223822 KSJQZCJIDJMNDJ-UHFFFAOYSA-N 391.876 4.064 30 40 GIEB N#Cc1ccc(OCCCCN2CCN(c3nsc4ccccc34)CC2)cc1 13722568 AUMPVHDSYYPENL-UHFFFAOYSA-N 392.528 4.149 30 40 GIEB N#Cc1c(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)sc2c1CCC2 4504784 XNRWMRHPSWXMEG-AWEZNQCLSA-N 389.839 4.033 30 40 GIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4814159 AEEFYCQCQQMPBH-QRWLVFNGSA-N 376.847 4.347 30 40 GIEB Cc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c(C#N)c(C)c1C 7060243 CBXYTADZWNEXEI-UHFFFAOYSA-N 393.556 4.452 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1ccccc1 8764679 TVJNCJMXUHXYLG-NHDPSOOVSA-N 386.359 4.251 30 40 GIEB biogenic COc1ccc(-c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2OC)cc1 7639214 DETZDNCNQTUMDX-UHFFFAOYSA-N 388.423 4.260 30 40 GIEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc2c(c1)OCO2 19832535 YGRNFNBJDRWLEN-IRLDBZIGSA-N 399.446 4.458 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(/Cl)C=NNc2ccc(F)c(Cl)c2)cc1 575626905 PEDTXOITXZVMDG-BQFZLUTQSA-N 399.205 4.499 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2Oc2ccccc2)n1 6607495 CNSRLJDXKDMUGT-KRWDZBQOSA-N 392.436 4.277 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2sccc2c1=O 32946311 HMADIORDGONQAZ-GFCCVEGCSA-N 386.498 4.016 30 40 GIEB COCCCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccccc1Cl 12522901 ZMHHMHPPWULSBV-UHFFFAOYSA-N 385.880 4.053 30 40 GIEB CC/N=C1/S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C1CCCCC1 17084538 DDVXERCIFBQYHJ-QQMHEVNUSA-N 393.940 4.321 30 40 GIEB COc1ccc(/C=N/c2nc3ccccc3n2CCN2CCCCC2)cc1OC 2476240 ANIHURQLTHZYBK-JJIBRWJFSA-N 392.503 4.290 30 40 GIEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 17242458 NZOOXNBUMWHGJZ-MRXNPFEDSA-N 387.892 4.205 30 40 GIEB CCCN1C(=O)[C@@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 409160366 HEJVBAHHPDYLPF-XKXPVHLMSA-N 398.484 4.008 30 40 GIEB COc1cccc(NC(=O)[C@H](Oc2ccc(C#N)cc2OC)c2ccccc2)c1 7470590 KGQSJCJSQBFVHS-JOCHJYFZSA-N 388.423 4.334 30 40 GIEB C=CCn1c(CC(=O)Nc2ccccc2C)nnc1SCc1ccccc1F 9582396 MODABTIXTSEXMT-UHFFFAOYSA-N 396.491 4.385 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)s1 409313067 AYDXIXAFUMDDCI-UHFFFAOYSA-N 390.306 4.364 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)cc1 408742899 QLCCFAKXXQYUNQ-YDZHTSKRSA-N 376.412 4.330 30 40 GIEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(F)cc1 409145383 OFWUYPXCMCEZMY-MPSNRTQHSA-N 396.421 4.052 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 409065751 MXSDRIUJFFJNFG-KGENOOAVSA-N 396.424 4.422 30 40 GIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(N4CCCCC4)o3)C2=O)s1 136583069 JTTLQUCQNBRYMZ-OPIFLLQFSA-N 388.518 4.102 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 13635107 IJYJRUAOKFEEAG-NRFANRHFSA-N 389.455 4.453 30 40 GIEB NC1=N/C(=N\Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 100931527 CMXMSWRJTYXFTR-UHFFFAOYSA-N 398.289 4.065 30 40 GIEB CCCCCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 103008705 RBBZSIFZZRPZPJ-QTMHVTGLSA-N 386.529 4.150 30 40 GIEB C=CCn1c(SCc2noc(-c3ccc(C)cc3)n2)nnc1-c1ccco1 12903159 DAFUDMOWSIVBKZ-UHFFFAOYSA-N 379.445 4.375 30 40 GIEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1Cl 18276193 VPZXHVRZJHNBFN-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Br)cc1 4670467 DVGUTFJTVXOOCL-CIAFOILYSA-N 398.308 4.396 30 40 GIEB Cc1nc(-c2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)n[nH]1 95431264 MYOYUAMGISMRRV-UHFFFAOYSA-N 383.459 4.169 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409106867 NCFOTBALDAYRAC-LDADJPATSA-N 396.468 4.103 30 40 GIEB FC(F)(F)c1ccc(N/N=C/c2ccc(I)cc2)nc1 409101168 WAKWJRLNFANCBC-FBCYGCLPSA-N 391.134 4.151 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 35464044 OLDFOHABNQZMKB-SEDBPEQASA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro COc1ccc(C(=O)Nc2c(C)cc3[nH]/c(=N\N=C(C)C)sc3c2C)cc1 72228705 JKAOHKBZSGMLRH-UHFFFAOYSA-N 382.489 4.404 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cc(OC)ccc1OC 4626477 ZEVVRBSGIYFUAB-FOIQADDNSA-N 389.492 4.205 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O 4899381 STJRTMJUYULVQZ-SQULJVTFSA-N 381.501 4.329 30 40 GIEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(N2CCCC2=O)cc1 40139806 MAWIMPHFGJSMRA-DHZHZOJOSA-N 375.453 4.228 30 40 GIEB COc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 3065503 FVUJVXJQQYZJGR-FCQUAONHSA-N 394.496 4.043 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1 4285934 SIIYDKRNXWAXQR-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(OC)c1 4944951 YIWCFPWXNKWECO-GOSISDBHSA-N 395.430 4.371 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1 33776736 QDEINCFRUMQRIC-IRLDBZIGSA-N 380.440 4.023 30 40 GIEB N#Cc1ccccc1COc1c(Br)cc(CO)cc1Br 34772828 IIHHMUXCSUPWEU-UHFFFAOYSA-N 397.066 4.155 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 51366838 UOAYPLOLOJPBLJ-JIIKEMMSSA-N 381.501 4.248 30 40 GIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)cc1C 59301882 FMYMPDJDGGURKI-JVVDOCDTSA-N 396.468 4.047 30 40 GIEB N#CC1(NC(=O)c2cscc2C(F)(F)F)CCN(Cc2ccccc2)CC1 598828175 LHIFDBNPMGEQTC-UHFFFAOYSA-N 393.434 4.055 30 40 GIEB O=C(O)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100046022 PYWWUCKTKBAQOL-UPHRSURJSA-N 390.095 4.366 30 40 GIEB CCN(Cc1ccccc1)c1ccc(/C=N/n2cnc3ccccc3c2=O)cc1 21361496 NGBRDNCOROFCGJ-WGOQTCKBSA-N 382.467 4.305 30 40 GIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6160536 SXCMYFYQACFION-FQEVSTJZSA-N 389.407 4.067 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 4457561 JBCYWAPYMMMPRH-NOCBQHASSA-N 383.561 4.383 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc3ncccc3c2)S/C1=N/c1nnc(C)s1 9423649 PPTCCRCKMOORFJ-XKOOYEHJSA-N 393.497 4.185 30 40 GIEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(Br)c1 95401294 HXNUJUOBNNISDP-FMKPAKJESA-N 391.215 4.212 30 40 GIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224640367 XOWRQSCMGBJGKQ-UHFFFAOYSA-N 385.407 4.404 30 40 GIEB CCC(CC)CN(CCC#N)C(=O)c1nn(C(C)(C)C)cc1Br 597159923 UVNUDJMPQFXOPI-UHFFFAOYSA-N 383.334 4.193 30 40 GIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(C)cc1 14082421 KICBYEMBMHEIQY-QGZVFWFLSA-N 392.528 4.409 30 40 GIEB O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(O)ccc1O 19075501 VXYWTGJNYYCNQA-UHFFFAOYSA-N 384.203 4.030 30 40 GIEB Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)c1C 1087733 XPDOKXYNZXNPFK-HNNXBMFYSA-N 393.512 4.107 30 40 GIEB CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102622045 FDZIZJWPHNBTAW-LRGYGIHKSA-N 383.488 4.488 30 40 GIEB COc1ccc(C(=O)OC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1458727 LKIUGQZJNDPBTI-UHFFFAOYSA-N 384.387 4.343 30 40 GIEB biogenic CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1 2238449 JOMYYGPJZAQWNQ-YUCJCZDXSA-N 391.855 4.069 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3276367 HDLZQCRHAGBCKT-GZTJUZNOSA-N 394.477 4.404 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1Cl)C(C#N)C#N 18143070 XBNBQHZZJCMRHC-UXHICEINSA-N 376.847 4.121 30 40 GIEB COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1 4921975 UCGUTBXTKVQZAC-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(C#N)c(C)c1C 7059717 WXCGIJKYKUFCDW-LLVKDONJSA-N 379.407 4.415 30 40 GIEB N#Cc1cccc(-c2nnc(N3CCC4(CCCCC4)CC3)n2[C@H]2CCOC2)c1 1548452886 WJRFRPUSCBGBRB-FQEVSTJZSA-N 391.519 4.329 30 40 GIEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 409371781 HTWDZACMZOLPDB-FSJBWODESA-N 384.936 4.469 30 40 GIEB Cc1oc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(C#N)c1C 97010380 ZWLBUPPQASDSNK-UHFFFAOYSA-N 375.831 4.164 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(Cl)/C=N/Nc2ccc(Cl)cc2)cc1 100011088 ZQWNBRWRPDCOPU-VQPMWACXSA-N 381.215 4.360 30 40 GIEB COc1cccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354387 IBTPPQIAEKICSR-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB C#CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 2482246 UFBLOPDDWMIMDP-UHFFFAOYSA-N 392.451 4.225 30 40 GIEB O=C(/C=C(/c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl 4473727 SNLLJDKZURNOIR-PXNMLYILSA-N 389.198 4.265 30 40 GIEB N#Cc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 12974875 YHZBKKYRILPZDX-HRAATJIYSA-N 396.537 4.069 30 40 GIEB COc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc(OC)c1OC 18146023 FYPUAPMQFNXAAT-WQRHYEAKSA-N 398.484 4.221 30 40 GIEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)nc1C 27581320 YVZYKGPAHJOAMP-UHFFFAOYSA-N 397.456 4.318 30 40 GIEB O=C1/C(=C/NCc2ccc(F)cc2)Nc2ccc(Br)c(Cl)c21 100415096 WOQSVWLREOWALN-JYRVWZFOSA-N 381.632 4.481 30 40 GIEB CCOc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1I 408904901 QFDSXVHLSUUYQX-VCHYOVAHSA-N 395.196 4.139 30 40 GIEB CCn1c(N/N=C/c2ccc(I)cc2)nc2ccccc21 408692819 WDLKQRMKWVFICI-WOJGMQOQSA-N 390.228 4.107 30 40 GIEB Cc1cc2oc(=O)cc(COC(=O)COc3ccccc3C#N)c2cc1C(C)C 6551633 GVGZKQDOZVZTID-UHFFFAOYSA-N 391.423 4.219 30 40 GIEB C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3F)c2)SC1=S 4690733 VJBVUJINIRUVEE-ATVHPVEESA-N 399.468 4.432 30 40 GIEB COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC#N 4613890 KKHHJWXJDYNSMO-PTNGSMBKSA-N 381.819 4.057 30 40 GIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)S2)cc1C 4704682 FMYMPDJDGGURKI-XWAFYUISSA-N 396.468 4.047 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)O)[C@@H]2c1cccs1 4741370 NNKXSBRDPWZYRA-HXUWFJFHSA-N 382.485 4.449 30 40 GIEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1C 4814722 RLDZDYRJTJGPMA-UHFFFAOYSA-N 399.545 4.244 30 40 GIEB C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c2cc1Cl 9306092 MDYWGMIJHPYRIW-UHFFFAOYSA-N 398.846 4.286 30 40 GIEB C#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 72280751 AIXNKIITJVXFFQ-LJQANCHMSA-N 385.870 4.419 30 40 GIEB COc1cc(Cl)c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC 408968019 YPOJRMJVRZIJMM-LZYBPNLTSA-N 392.839 4.388 30 40 GIEB COc1cccc(/C=N/c2ccc(Br)c(C)c2)c1O[C@@H](C)C(=O)O 409230690 FMXJJAWHVMYDJL-QDBSGRMGSA-N 392.249 4.369 30 40 GIEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 33616419 GLQSAGRUDIQXLC-UHFFFAOYSA-N 394.456 4.323 30 40 GIEB C=CCOc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225746722 BOJNYTQWANIHBG-UHFFFAOYSA-N 381.545 4.381 30 40 GIEB CCOc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 1097214 UOUPRKTZZYRQLK-HYARGMPZSA-N 398.484 4.216 30 40 GIEB COc1ccc(C(=O)[C@H]2O[C@H]2c2csc(C)n2)c(OCc2ccccc2)c1 5748720 GGYZYJRALXQSLM-LEWJYISDSA-N 381.453 4.362 30 40 GIEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1Cc1ccco1 5988184 TUHCPNCHLQVCSA-FQEVSTJZSA-N 389.407 4.067 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 20028900 HEMGIHYQZYPFOE-OAQYLSRUSA-N 394.515 4.009 30 40 GIEB O=C(C1=C(N2CCOCC2)[C@H](C(=O)c2ccccc2)CCC1)c1ccccc1 642889 AOTQEOBYXNPPHP-HXUWFJFHSA-N 375.468 4.139 30 40 GIEB CCOc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1 907370 QBYGBANYOZKBHY-KBXCAEBGSA-N 383.517 4.292 30 40 GIEB CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 2109485 NUVVZIXMGZWVDB-CJLVFECKSA-N 382.485 4.331 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 5446317 MBCZJNFOAJRFJN-FPOVZHCZSA-N 391.467 4.061 30 40 GIEB COCCn1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 6418834 ADFVXOFQTQMKKZ-UFFVCSGVSA-N 384.358 4.124 30 40 GIEB CSc1ccccc1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 6566348 YTBQRFDNBPCFFV-UHFFFAOYSA-N 382.485 4.129 30 40 GIEB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3c(C#N)oc4ccccc34)cc2C1 7737707 JKASRTIXBOWCLK-GFCCVEGCSA-N 394.452 4.286 30 40 GIEB COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC 8493422 QVVHJFYXHXUHCD-UXBLZVDNSA-N 379.391 4.485 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cccc1OC 12238115 IJQBDBKPVKTGSK-SVGJNIJCSA-N 397.490 4.414 30 40 GIEB N#C[C@H](CN1CCN(c2ccccc2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 12526611 JUHWVWNAMAJLHY-AOYPEHQESA-N 397.522 4.349 30 40 GIEB C[C@@H](/N=C(\S)Nc1cccc(F)c1)[C@@H](c1cccs1)N1CCOCC1 13878799 DNWDKRSFUCOBDM-DYVFJYSZSA-N 379.526 4.047 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccsc2)CC1 23873420 NJGSGVZGAXHKPV-UHFFFAOYSA-N 387.508 4.245 30 40 GIEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc(OC)c1O 100765457 UAIINZYYAZSDAP-SFTDATJTSA-N 397.490 4.283 30 40 GIEB Oc1ccccc1/N=C\c1cc(Br)c(I)o1 408856032 PCKPMSNVJCJUHL-NSIKDUERSA-N 391.990 4.103 30 40 GIEB CCOc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1 907367 QBYGBANYOZKBHY-KSSFIOAISA-N 383.517 4.292 30 40 GIEB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 6946474 SMDFSCIKJOGUTH-OAHLLOKOSA-N 399.450 4.027 30 40 GIEB C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCO2 7777795 GPKKCDKMAYVLPE-UHFFFAOYSA-N 392.411 4.124 30 40 GIEB C=CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 8164300 QUPILQLFTSMOAQ-UHFFFAOYSA-N 391.949 4.450 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1ccc(C)cc1 8362944 AZWOBDHWOMGWMF-WBCKRXDOSA-N 396.468 4.082 30 40 GIEB CCCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 14165091 COPQTCIDZQGUNT-KPZWWZAWSA-N 384.505 4.057 30 40 GIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 19314754 JAYGAWBQMHLLTH-HXUWFJFHSA-N 396.531 4.310 30 40 GIEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2C)NC1=O 409090975 SAFQOXKZWBGQSV-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(OC)cc1 409249804 OUUMCAJWYRHWRF-KFBYJWCXSA-N 383.429 4.227 30 40 GIEB CC(C)(C)[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cccc(C(F)(F)F)c1 515384574 HJYHRBJCEQCHOA-KRWDZBQOSA-N 387.409 4.497 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 3284297 UWVXEANLFKGNAD-UHFFFAOYSA-N 383.618 4.314 30 40 GIEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678973 DJTQXDQAMHYWTR-WYMPLXKRSA-N 387.395 4.113 30 40 GIEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 2634209 YIQMOKMCFKOCAJ-UHFFFAOYSA-N 398.919 4.193 30 40 GIEB C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 32900416 XAAZRBRZYYYPAX-UHFFFAOYSA-N 392.484 4.427 30 40 GIEB CN(C)/C=N/c1c(C#N)cc2nc3ccccc3c-2n1-c1ccc([N+](=O)[O-])cc1 103637771 LSPZLJPKJDLMRL-YDZHTSKRSA-N 384.399 4.132 30 40 GIEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2c(O)ccc3ccccc23)c1 1478941 YXACFFHSIOSNRC-CIAFOILYSA-N 376.441 4.357 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 3355660 MSZNSJFTIMDPPD-UHFFFAOYSA-N 380.498 4.273 30 40 GIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)c(Cl)c1 13571662 PMVULKVDDVUZJA-UHFFFAOYSA-N 385.851 4.319 30 40 GIEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1cccc(C)c1 408856264 BRPINYHMBLBTIZ-CIAFOILYSA-N 382.489 4.044 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 408731238 ZBDGBYKOBQQING-KLPPEWMLSA-N 380.469 4.494 30 40 GIEB C(=N/Nc1nc2ccccc2[nH]1)\c1cn(Cc2ccccc2)nc1-c1cccnc1 6648095 WHJRKDYOQIMPBC-AFUMVMLFSA-N 393.454 4.316 30 40 GIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 4820239 ZHJYQFNGAIQSEO-UHFFFAOYSA-N 395.466 4.395 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 5800503 NJMZZWXAPVEWRF-GOSISDBHSA-N 394.814 4.419 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1Cl 19911372 DWPHPCZDKMECHL-GOSISDBHSA-N 379.843 4.472 30 40 GIEB Cc1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)c(Br)c1 409123782 IPCHMBSOJHOKMC-MTJSOVHGSA-N 377.257 4.484 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1 408724369 DISGYGVTDAFCPF-IKOQTPDUSA-N 394.858 4.440 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1 72391220 MWBJFGMMUGPJBE-RUZDIDTESA-N 390.527 4.217 30 40 GIEB O=[N+]([O-])c1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 38179912 XHCDUNJDOGZWCW-DJKKODMXSA-N 379.254 4.451 30 40 GIEB Cc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)o1 604403911 DHCCFYWAVMVASF-KCBNLNMNSA-N 388.375 4.351 30 40 GIEB biogenic C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 6064874 JSRVRNGXEVAQGM-WAFBPQNNSA-N 389.238 4.449 30 40 GIEB COc1ccc(NC(=O)/C(=C\n2c(=S)[nH]c3cc(C)ccc32)C(C)=O)cc1 5504087 PFKKNJDZZIDAGP-WJDWOHSUSA-N 381.457 4.085 30 40 GIEB N#Cc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 40286763 XMAHNCSCQVOOLL-INIZCTEOSA-N 375.359 4.310 30 40 GIEB COc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N 4849175 NFHIRMARMUXLDH-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4936270 SKIICEXDXCHFEE-FDJFIASXSA-N 381.501 4.248 30 40 GIEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc(Cl)c(C)c1 2791995 GYIULVQAFRYAGZ-ZVBGSRNCSA-N 388.880 4.372 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1C1CCCCC1 4286544 NBZAKLQCMPXLRO-UHFFFAOYSA-N 381.505 4.114 30 40 GIEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)C1 7991507 QXRWTYKHXFRJOY-AEFFLSMTSA-N 392.503 4.349 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 408916906 IKZNUKVPVISFOW-XDHOZWIPSA-N 397.427 4.083 30 40 GIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 20637402 HNRNCVBODQUYOF-SIKLNZKXSA-N 394.434 4.297 30 40 GIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccco3)c2)c1O 802233 MMKMELBZWMBLNW-CIAFOILYSA-N 395.371 4.295 30 40 GIEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1 5444590 BCLHSQVURLOFBY-FQEVSTJZSA-N 379.456 4.320 30 40 GIEB CCOC(=O)COc1c(/C=N\c2ccccc2)cc(Br)cc1OC 100916518 FQAONYJWQMTZDE-JAIQZWGSSA-N 392.249 4.150 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1F 7336086 QVPFQRCNWSBTMM-HWKANZROSA-N 381.197 4.207 30 40 GIEB CCCOc1ccc(-c2nc(SC)nc(N3CCCC3)c2C#N)cc1OC 19820454 CBSWLMAOUASUMO-UHFFFAOYSA-N 384.505 4.135 30 40 GIEB CN(C/C(O)=N/c1nnc(-c2ccccc2)o1)CC12CC3CC(CC(C3)C1)C2 27929467 YKWSBYQPPZUTIO-UHFFFAOYSA-N 380.492 4.473 30 40 GIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 97324148 APUBYPWWKNETJK-LUJVZZROSA-N 387.545 4.270 30 40 GIEB C[C@]12CN(C(=O)COc3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@@H]1CC[C@]23C 101023501 SVEFWROYAQKXMX-RCUQFMMVSA-N 379.287 4.303 30 40 GIEB CC1CCN(c2ccc(C(=O)n3cc(C#N)c4ccccc43)cc2[N+](=O)[O-])CC1 226362664 SHYVQFSPVZOSEA-UHFFFAOYSA-N 388.427 4.346 30 40 GIEB C=CCc1cc(/C=N/O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409084404 BNTSSHUOUYCYDP-YBFXNURJSA-N 387.348 4.231 30 40 GIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1O 409290791 VBCLRLZTCKYTIM-UHFFFAOYSA-N 377.444 4.041 30 40 GIEB N#Cc1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1Cl 538403164 JSFJTGBXXJCMHJ-UHFFFAOYSA-N 376.641 4.039 30 40 GIEB CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 4747890 IOWFRTLFVZLMAW-WTBIUSKOSA-N 384.516 4.384 30 40 GIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 6003408 JIKMAMDNEXYUNM-MLGOLLRUSA-N 381.501 4.225 30 40 GIEB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](OC(C)=O)CC[C@@H]4[C@@H]3[C@@]3(C)O[C@]32C1 6614761 WWRTWBNTOJMLIU-XKTOUXLPSA-N 390.520 4.024 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 6813214 QPBPPKGNIZWMST-IBGZPJMESA-N 399.874 4.263 30 40 GIEB Cc1nc(SCc2c(C)noc2C)c(C#N)cc1C(=O)Nc1ccccc1 12777002 SORISRWUULTPGE-UHFFFAOYSA-N 378.457 4.411 30 40 GIEB COc1ccc(-c2nn(-c3nc4ccccc4s3)c(O)c2CCC#N)cc1 14607834 KMYLRDNWIZGBBS-UHFFFAOYSA-N 376.441 4.319 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1F)c1c(nn(-c3ccccc3)c1O)N2 18208419 FHQDEABWTJJNLZ-GOSISDBHSA-N 375.403 4.282 30 40 GIEB COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(N(C(C)=O)C(C)=O)c12 35326875 MPEDUTSMJOXBBA-UHFFFAOYSA-N 393.468 4.189 30 40 GIEB Cc1nc(-c2ccc(OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)no1 58358263 LLGNRFBJAFCCPR-BKUYFWCQSA-N 389.455 4.304 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(O)c(Br)c1 59105724 ILHYXWYVAKIIMK-RIYZIHGNSA-N 393.237 4.185 30 40 GIEB CN(CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 96794831 XTWNZGUDNNGUJR-UHFFFAOYSA-N 375.394 4.084 30 40 GIEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 575242857 PWLRJLJXJCNKBE-UHFFFAOYSA-N 384.194 4.355 30 40 GIEB C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N 590989851 OYUSRATWIHTCGH-MWLCHTKSSA-N 375.188 4.124 30 40 GIEB C=CCO[C@@H](C)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 60350625 RRVYQOYGQUGLHX-NSHDSACASA-N 387.789 4.383 30 40 GIEB N#Cc1c(NC(=O)CCN2CCc3ccccc3C2)sc2c1CCCCC2 2626976 RZQONINWITYQCB-UHFFFAOYSA-N 379.529 4.276 30 40 GIEB Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 4541483 CQPKJFAEAYULBN-KRWDZBQOSA-N 387.439 4.150 30 40 GIEB O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=N/C[C@@H]2CCCO2)c1 27024077 QAIAJTFRDBBBCB-BOURKTIISA-N 376.416 4.045 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)o1 408724370 DISGYGVTDAFCPF-QCXOOGOMSA-N 394.858 4.440 30 40 GIEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(OC)c(OC)c3)nc1-2 408723451 VFPIVVOWUSWUMK-UFFVCSGVSA-N 382.441 4.479 30 40 GIEB N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 4122625 WOVYQCFTUXUPHQ-UHFFFAOYSA-N 396.472 4.259 30 40 GIEB Cc1ccc(C2=NN(C(=O)COc3ccccc3C#N)[C@@H](c3ccco3)C2)cc1 5830300 FECNOXANSOYQBN-HXUWFJFHSA-N 385.423 4.216 30 40 GIEB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2sccc2C#N)cc1 6906363 HXMJMEXSUYROFE-UHFFFAOYSA-N 398.484 4.062 30 40 GIEB COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1O 409202194 PWFWKJBQZZIZMO-GIJQJNRQSA-N 381.213 4.373 30 40 GIEB CCCCOB(OCCCC)c1ccc(B(OCCCC)OCCCC)cc1 195763408 WVVLCYRUHHDNQQ-UHFFFAOYSA-N 390.182 4.344 30 40 GIEB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 820526 DHHJPXLVPLTAMJ-HXUWFJFHSA-N 383.488 4.251 30 40 GIEB C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 2640990 BIKICENMBBVBJR-LLVKDONJSA-N 375.375 4.409 30 40 GIEB N#CCCN(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1 3275919 FBUVWUNOSJCLMC-UHFFFAOYSA-N 377.227 4.097 30 40 GIEB C=CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 6677859 PLYKOWUTZUKOBK-KRWDZBQOSA-N 384.480 4.353 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 33691687 JCJZTJSAGPGOJX-ZDFPAGSVSA-N 388.380 4.135 30 40 GIEB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)OC2=O 100923105 XMNOZHGPEKGZRT-GOTSBHOMSA-N 375.424 4.253 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102802240 RKKOJCXYDREYOJ-HIOWOHFRSA-N 382.419 4.264 30 40 GIEB O=C1/C(=N\Nc2ccc(Cl)cc2Cl)c2ccccc2N1C1CSC1 223717680 RJNXBBBARKDJRT-PGMHBOJBSA-N 378.284 4.272 30 40 GIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 224705936 KASGOLVJAILCPM-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB CC1=CC(=O)/C(=C(/C)Nc2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1F 255188716 LDAYQIXBKNNVIL-YBFXNURJSA-N 390.336 4.449 30 40 GIEB C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 408897652 NPPJBCNLRUCBHS-UHFFFAOYSA-N 393.483 4.351 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O 409048323 NZEXWDBCRSLFDH-HGLKBHAMSA-N 379.865 4.195 30 40 GIEB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409100841 XAVHEJAUEBLDLZ-LSFURLLWSA-N 398.182 4.321 30 40 GIEB CCCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC 100183297 ZOTBSOPHTVFMPK-LFVJCYFKSA-N 393.487 4.423 30 40 GIEB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 107346763 ZBXWRWJLOBAJTQ-CWRNSKLLSA-N 382.533 4.246 30 40 GIEB C#CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408577239 YUQKOHHJODGQCK-INIZCTEOSA-N 384.819 4.251 30 40 GIEB N#Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 24772624 MASHCENQILTFHB-UHFFFAOYSA-N 391.862 4.449 30 40 GIEB CC(C)N1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1ccccc1 408914734 XIXURDMABUFOTA-WBCKRXDOSA-N 396.468 4.162 30 40 GIEB Cc1ccc(C)c(Nc2nc3nonc3nc2N/N=C\c2c[nH]c3ccccc23)c1 97371956 WFVHUDZCFPKUFT-KSEXSDGBSA-N 398.430 4.301 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2ccc(C)cc2)cc1 5409116 MOLRVEOJKHSBCO-NRFANRHFSA-N 384.435 4.481 30 40 GIEB Cc1cc2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2c2ccccc12 25315333 XPVMLDLGUZQRIP-UHFFFAOYSA-N 388.500 4.095 30 40 GIEB C#Cc1cccc(NC(=O)c2ccc(Cl)cc2I)c1 31717067 TWPDVSMIBJXUPR-UHFFFAOYSA-N 381.600 4.178 30 40 GIEB CCCCOc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1 4188390 YWZWTRRTYUWEHX-XQNSMLJCSA-N 386.459 4.440 30 40 GIEB C=C(C)COc1ccc(-c2[nH]ncc2Oc2ccc(C(=O)OC)cc2)c(O)c1 5164836 LUWQUMIDVWHMKF-UHFFFAOYSA-N 380.400 4.316 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 2503484 QDWOFFVXTAJJOG-LJQANCHMSA-N 398.528 4.364 30 40 GIEB C=CCN(C(=O)COc1ccccc1C#N)c1nc(-c2ccccc2)cs1 3558699 QYXWTXQCSBPQMB-UHFFFAOYSA-N 375.453 4.280 30 40 GIEB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1cccc(C#N)c1 4579966 JMJIYJPHEJGAQW-UHFFFAOYSA-N 379.641 4.300 30 40 GIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@@]2(O)CC(C)(C)CC(=O)[C@H]12 4666721 NMOVZZLGMACDGB-ZYKOEDHHSA-N 398.499 4.146 30 40 GIEB C#CCOc1ccc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1 6295384 BDZLEDJXSZNZPX-HXUWFJFHSA-N 395.549 4.103 30 40 GIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1cccc2ccccc12 6942660 VGKKXOPVFTZTOE-UHFFFAOYSA-O 386.450 4.320 30 40 GIEB C=C(C)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O 12324253 QCBKCYRGKWBDHK-UHFFFAOYSA-N 391.427 4.225 30 40 GIEB N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@H]2CCO)cc1 32913401 BEGTUQNXQNTRJZ-IBGZPJMESA-N 397.906 4.201 30 40 GIEB CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 96936317 JPGNDLPWOBOQKY-NXCZOFCGSA-N 396.468 4.438 30 40 GIEB C/C(=N\OCc1cc2c(cc1Br)OCCO2)c1sc(C)nc1C 98054722 VJNGMEVSMIIBNG-VXLYETTFSA-N 397.294 4.234 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)cc1 101650744 DXLYXVVYUDPTLD-CCWVLBSLSA-N 395.528 4.456 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 102861936 RTKNLHPGJFSJMS-GHNGSUTGSA-N 399.512 4.114 30 40 GIEB CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O 409246173 FYYHVEIVRSQMCI-FYJGNVAPSA-N 398.466 4.172 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F 101315666 BMWNXJGSLDSXRS-OPURJYLOSA-N 380.419 4.057 30 40 GIEB CCc1sc2nc(S[C@@H](C)C#N)n(-c3cccc(OC)c3)c(=O)c2c1C 3412414 BNBDRSHEUUFWOE-NSHDSACASA-N 385.514 4.331 30 40 GIEB Cc1ccc(O)c(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1 4838654 MOKNPLWMKCZBHW-SSDVNMTOSA-N 386.517 4.456 30 40 GIEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c1 4944882 QQPZIJRVKBVNNT-SFHVURJKSA-N 377.440 4.231 30 40 GIEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c(OC)c1 4944940 VWDGSHLQMUYZJT-INIZCTEOSA-N 395.430 4.371 30 40 GIEB CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102622048 FDZIZJWPHNBTAW-SNHGZMDHSA-N 383.488 4.488 30 40 GIEB COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)C12CC3CC(CC(C3)C1)C2 33927548 ZUKBBCNEKJYAOO-NKFKGCMQSA-N 398.459 4.403 30 40 GIEB C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)Nc1sccc1C#N 12553699 DLPIPLVEMOYQNA-NSHDSACASA-N 395.513 4.257 30 40 GIEB CCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 3225664 JVOFYRDYPDOWOU-UHFFFAOYSA-N 375.497 4.399 30 40 GIEB C#CCOc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409299292 ZGDXHMBHKQWOCD-UHFFFAOYSA-N 385.467 4.338 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12764662 YYRYBOFRXWVOKH-IURSYISVSA-N 390.483 4.142 30 40 GIEB CCCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC 5047908 QIJIXAJOACZAFM-NDENLUEZSA-N 382.412 4.277 30 40 GIEB biogenic,in-vitro Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nncc(-c2ccccc2)n1 4476782 SPYIXJWGLCHXNV-WSDLNYQXSA-N 389.850 4.132 30 40 GIEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1c(F)cccc1Cl 5483414 ZQLNBEKCFYUGFM-ODCIPOBUSA-N 392.843 4.203 30 40 GIEB N#C[C@H](c1nc2ccccc2s1)c1cnn(Cc2ccccc2)c(=O)c1Cl 6756762 WAXCVTPCPXZVCW-AWEZNQCLSA-N 392.871 4.210 30 40 GIEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408786485 QWUNWAXMPWPXRR-CIAFOILYSA-N 388.876 4.471 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC/C(=C\c4ccco4)C(=O)[C@@H]3C[C@H](O)[C@H]12 257347938 ZSHIOALVDOKIOB-CLVYYKSCSA-N 384.516 4.216 30 40 GIEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 2379336 PXAJNJUAUSATPJ-DLBZAZTESA-N 388.307 4.366 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1cccc(Cl)c1 2463569 WOYCLXTVDGXYDQ-ZBFHGGJFSA-N 390.892 4.108 30 40 GIEB O=C(O)c1cc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl 4663121 OWKUHKATGLRDHZ-UKWGHVSLSA-N 386.751 4.047 30 40 GIEB CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5245216 YNXISBGXFBSCMX-OPAMFIHVSA-N 386.455 4.093 30 40 GIEB N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@@H]21 5456465 WOZFVLCMTANHQB-IRLDBZIGSA-N 387.443 4.238 30 40 GIEB C=CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1OC 6634555 ZZMPWMNSNXGCPC-UHFFFAOYSA-N 384.339 4.430 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)NC2CC2)c2ccccc2)n1 9156250 AXQWMSWFSCBKJN-INIZCTEOSA-N 391.418 4.393 30 40 GIEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1 9183806 DISGBRHFQCXCHN-ODLFYWEKSA-N 382.412 4.272 30 40 GIEB COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 13060664 VKIVLHLHIBTPLH-UHFFFAOYSA-N 397.544 4.358 30 40 GIEB CC1=C(Br)C(=O)C(Br)=C(C)C1=NC(=O)c1ccccc1 16779975 PJZINPQRHRTVEO-UHFFFAOYSA-N 397.066 4.188 30 40 GIEB CN(C)c1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 16922648 VXLHVCSDFMYPPP-WSDLNYQXSA-N 390.984 4.173 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OCC)c1 19923521 SWXHWRUUXYKZOL-MGPUTAFESA-N 389.492 4.292 30 40 GIEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C(C)C 30883288 YDWRGWSVWZPQKV-ONTIZHBOSA-N 393.531 4.365 30 40 GIEB biogenic,in-vitro Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)n1 36784202 WKZLAIQOQJPXPA-HNNXBMFYSA-N 379.407 4.202 30 40 GIEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OC 59135902 HBTQKKZUJHSSDI-NTCAYCPXSA-N 396.443 4.234 30 40 GIEB Cc1csc([C@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 97001604 CEPMXUWESVAOSF-LLVKDONJSA-N 378.335 4.010 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(O)cc2)cc1 102929841 WVYZLBSTUAWJRF-JBCNATCCSA-N 385.419 4.327 30 40 GIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757926 JIAQWHBCWCCMDR-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB Cc1cccc(-n2nc(C(=O)O)c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)c1 409194403 BJBAJXBHJOEZCN-XFXZXTDPSA-N 399.450 4.405 30 40 GIEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCCCC#N)cc1 21712523 UBNJLCULUMKUIP-SDNWHVSQSA-N 387.439 4.408 30 40 GIEB Cc1ccc(-c2nn(CN(C)Cc3cccc(C#N)c3)c(=O)c3ccccc23)cc1 29539785 KGWCSPRWZRFUEK-UHFFFAOYSA-N 394.478 4.333 30 40 GIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1 2210568 AXDZQKUBYQGVKB-ZREAOVPFSA-N 381.501 4.284 30 40 GIEB CCc1nc(SCCCn2c(=O)[nH]c3ccccc32)c(C#N)c2c1CCCC2 2269994 ZEMOWQPMOPDCAX-UHFFFAOYSA-N 392.528 4.220 30 40 GIEB C=CCNC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3317225 ZGTJFXXZDVYCRS-UHFFFAOYSA-N 380.831 4.014 30 40 GIEB CCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(CC)cc2)S1 6593525 FNTQFQUHTADVHO-VRMLFSPKSA-N 395.528 4.202 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(OCC(C)C)c(OC)c1)O2 95951259 FQTGLAHXUFXARQ-KEBDBYFISA-N 382.412 4.133 30 40 GIEB COc1ccccc1OCc1nc(SCc2ccccc2C)nc(N)c1C#N 223691489 NPXWLERCTSDHHC-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl 2283848 NWLKQJHZQIHUTK-AWEZNQCLSA-N 396.270 4.094 30 40 GIEB Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1-c1ccc(Cl)cc1Cl 2769837 BTMGGEIDZUDWBN-SNAWJCMRSA-N 381.240 4.481 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 3449040 GBNDEBFHWVSELE-MRXNPFEDSA-N 397.544 4.070 30 40 GIEB COc1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O 4380645 KLBJEKKAGCSPGQ-MUDSWDHVSA-N 382.235 4.422 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2C)CC1=O 4910338 IKVQLQFJKPHEQN-IBGZPJMESA-N 389.499 4.316 30 40 GIEB NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1Cc1ccc(Cl)cc1 4949183 VZQCYMBWOKZKBF-UHFFFAOYSA-N 399.878 4.315 30 40 GIEB aggregator N#Cc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 6886394 DLNLJRDDVMJZCM-UHFFFAOYSA-N 382.847 4.205 30 40 GIEB C#CCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 16062109 UCJNZSMZLUPKLI-UHFFFAOYSA-N 378.284 4.124 30 40 GIEB COc1cc(/C=N/O)ccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 40142971 JIJNHPVSHUABKD-PDERCVKFSA-N 390.439 4.051 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccnc3ccccc23)S/C1=N\c1nnc(C)s1 54360870 HGUQKJIFKGWQTN-LCUCDLPVSA-N 393.497 4.185 30 40 GIEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2ncc(C#N)c2N1 72332731 WWGNOAKQSXLSNC-LJQANCHMSA-N 389.846 4.336 30 40 GIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)cc1 109119304 MCBUBCMSUXMAMF-JCMHNJIXSA-N 377.400 4.442 30 40 GIEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)cc3)nc2c1 226344470 BXALCGCKCHIWDD-UHFFFAOYSA-N 375.197 4.474 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408907013 FXXHLWXMWLFWRJ-KRICTJEJSA-N 383.429 4.233 30 40 GIEB CC(C)(C)N(Cc1ccccc1)C(=O)CO/N=C/c1ccc(OC(F)F)cc1 20858130 BCPJRCMXRQMLDD-ZMOGYAJESA-N 390.430 4.466 30 40 GIEB C=CCn1c(SCc2nc(C)no2)nc2cc(-c3ccccc3)sc2c1=O 25049676 HAICLQMLZJBIEL-UHFFFAOYSA-N 396.497 4.295 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 1457730 KANGWGLRBXICEZ-OAQYLSRUSA-N 396.506 4.442 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 13689940 VIZHZBFWIGUVBJ-KRWDZBQOSA-N 394.452 4.444 30 40 GIEB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(CC(C)(C)CC1=O)N2 4436345 PIHUAROAMLWZBA-QGZVFWFLSA-N 384.505 4.057 30 40 GIEB N#Cc1nc(-c2ccco2)oc1N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 36369936 CMCBJQJJTLQNTB-GMLUQMLDSA-N 390.487 4.206 30 40 GIEB biogenic N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)c1 96296211 PLOJNSYZHYAVNV-FQEVSTJZSA-N 378.863 4.175 30 40 GIEB biogenic,in-vitro C=CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193287 WLAZBOIMYNXIBN-WJDWOHSUSA-N 396.830 4.409 30 40 GIEB COc1ccc(/C=N/Nc2ccccc2C)cc1Cn1nc(C)c([N+](=O)[O-])c1C 6218146 XUUBPTBMPONVAE-WSDLNYQXSA-N 393.447 4.219 30 40 GIEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 20169480 PSULPUXQDALEEB-RQZCQDPDSA-N 384.863 4.016 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1OC 4918612 RPXJXVSRNFJRSB-GHTZIAJQSA-N 398.430 4.162 30 40 GIEB O=C(c1ccc(OC(F)F)cc1)N1CCCS/C1=N\CCc1ccccc1 2640567 IPNYCXUISWPEDB-ATJXCDBQSA-N 390.455 4.466 30 40 GIEB COc1ccc(N=C2S/C(=C\c3cccn3C)C(=O)N2Cc2ccco2)cc1 409100470 NSVSECGFBCCYIH-SBRLEDFTSA-N 393.468 4.431 30 40 GIEB COc1cc(CN(C)C(=O)c2cccc(C#N)c2)ccc1OCc1ccccc1 6995008 YEVBTEBPBLLLGQ-UHFFFAOYSA-N 386.451 4.418 30 40 GIEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 5923858 WCKSOYKCCKAANI-INIZCTEOSA-N 395.528 4.473 30 40 GIEB C=CCn1c(SCCCOc2ccc(C#N)cc2)nc2sccc2c1=O 40127273 OGNFQCZFDYWIDA-UHFFFAOYSA-N 383.498 4.077 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1 225751627 NHOLDGJSIDSXOK-COHNVNCPSA-N 398.528 4.232 30 40 GIEB COC(=O)c1cc(NCc2ccc(Br)cc2C#N)ccc1Cl 589056393 XRGLTPTZIRDUFE-UHFFFAOYSA-N 379.641 4.373 30 40 GIEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 17201384 PXLSRJKJVODEMP-QYZOEREBSA-N 394.600 4.478 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 101231749 OHWAHQUPHQIRQW-WOOAAIBNSA-N 396.874 4.014 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 4918731 DKBGDSOWCINPGB-FOIQADDNSA-N 386.469 4.085 30 40 GIEB CCc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)cc1 9233363 ABUTUDSDIZMTLT-HNNXBMFYSA-N 393.512 4.053 30 40 GIEB N#Cc1cccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c1 12135799 WRQDRVLQKIURTH-UHFFFAOYSA-N 389.528 4.417 30 40 GIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@]2(O)c2ccccc2)c(C)c1 17819404 IXXYUWTUWVIMBW-RUZDIDTESA-N 399.446 4.190 30 40 GIEB CCOc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 2220229 GMXFRZWOKFXRAB-AMYLNKINSA-N 395.444 4.088 30 40 GIEB C=CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 5216490 XAZGFJJQYREIKG-UHFFFAOYSA-N 395.440 4.316 30 40 GIEB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 14237022 MAYHNEHHIOBMAY-UHFFFAOYSA-N 385.423 4.462 30 40 GIEB COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)=O 5495229 KMLUKYRLLNLHNG-XDHOZWIPSA-N 380.831 4.338 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/n2c(Cc3cccc4ccccc34)n[nH]c2=S)cc1 6639741 LDCSPGYRBHDVOR-FYJGNVAPSA-N 389.440 4.475 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 17145509 BBQLSIYXOSWGQM-FQEVSTJZSA-N 389.382 4.314 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 19498459 XQTONMQIEUVIBN-RUZDIDTESA-N 390.527 4.135 30 40 GIEB CCn1ncc2c(C(=O)N(CC#N)Cc3ccccc3)cc(-c3ccccc3)nc21 40155095 SLRALAQYAPICJO-UHFFFAOYSA-N 395.466 4.284 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(C)c1 2448530 GCGIZNJZNUDYAC-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB C=CCN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 4832297 AFWYZTHLYOCCPU-ZCXUNETKSA-N 392.505 4.304 30 40 GIEB C=C(C)CN(CC)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1 5142795 DFATUNRAPMCHSV-UHFFFAOYSA-N 384.432 4.074 30 40 GIEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 5410239 SVYGFPOJJWDAQC-KEBDBYFISA-N 388.880 4.372 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 9096106 AXGLADQVUKIHHX-CFCIJTFOSA-N 388.467 4.158 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4ncsc4c3)s2)cc1 13006202 MTJKUFANQXXDMI-UHFFFAOYSA-N 376.466 4.468 30 40 GIEB Cc1c(Cl)cccc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 13770626 RYSYOALUNLNJQJ-UHFFFAOYSA-O 384.862 4.128 30 40 GIEB CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 17209135 UGDQZNYQLDQNSJ-KRWDZBQOSA-N 391.491 4.240 30 40 GIEB COc1ccc(CN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)cc1OC 46085106 KAGSSQLDGJVKKD-LVWGJNHUSA-N 387.439 4.067 30 40 GIEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C 408561062 XNEWBFDPGZRFRK-UHFFFAOYSA-N 376.526 4.067 30 40 GIEB CCOc1cccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)c1 1471611 LPEJECVDLDVRQG-UHFFFAOYSA-N 381.501 4.270 30 40 GIEB O=[N+]([O-])c1cc(/C=N/c2cc(-c3ccccc3)ccc2O)c(O)c([N+](=O)[O-])c1 1885585 GACVQTAUEGSABK-RGVLZGJSSA-N 379.328 4.332 30 40 GIEB Ic1ccc(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)o1 4588711 UZXPSAYUOVUZJR-BISZXWTNSA-N 378.173 4.214 30 40 GIEB C#CCOc1c(Cl)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OC 4680686 WSNQSILQNCYMQY-CIAFOILYSA-N 398.875 4.164 30 40 GIEB C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NC1CCCC1 7656970 LDQHDQKSHBMDSF-HNNXBMFYSA-N 394.496 4.314 30 40 GIEB C=CCN1C(=O)N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 8973899 SARUIKNSACBXMB-UYRXBGFRSA-N 385.423 4.178 30 40 GIEB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(/C(S)=N\C(C)C)CC2 13688108 QQLNMDAPIDVWLK-SFHVURJKSA-N 376.547 4.407 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCCCCC3)c2)c1 48365545 GKXMJRMSBRFYCI-UHFFFAOYSA-N 376.456 4.281 30 40 GIEB N#Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)cc1 58223849 MLLAKADZMQQBNI-UHFFFAOYSA-N 375.379 4.066 30 40 GIEB O=C1CSc2sc(C(=O)/C=C/c3cccc(Br)c3)cc2N1 95997446 PPLVNUSZACNFHE-SNAWJCMRSA-N 380.288 4.451 30 40 GIEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102932476 PCIXHNDIUUIKHG-WOOAAIBNSA-N 377.371 4.041 30 40 GIEB COc1ccc(CNC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 915356 WPAQIJCBBUJPJW-UHFFFAOYSA-N 391.496 4.140 30 40 GIEB CCc1ccc(C2=C[C@H](c3cccc(Br)c3)[C@H](C#N)C(=O)N2)cc1 1085422 FFUAQRYDYXRHLM-MSOLQXFVSA-N 381.273 4.406 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 2787124 ZYAGNUBWWFUDTF-OLZOCXBDSA-N 389.484 4.475 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 3449038 GBNDEBFHWVSELE-INIZCTEOSA-N 397.544 4.070 30 40 GIEB O=C(ON=C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 4866595 QRWKBPWOCIRQDN-UHFFFAOYSA-N 387.277 4.258 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 5376421 RBWMPDWRPKFITP-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC1CC1 7359606 FKSGZGYEPAAAIF-VIFPVBQESA-N 397.447 4.460 30 40 GIEB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1C#N 7783520 HHRIOHNTAPOARQ-NSHDSACASA-N 383.864 4.116 30 40 GIEB Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 9419503 LEVRVBBARNMJCD-BKUYFWCQSA-N 392.432 4.379 30 40 GIEB O=S1(=O)CC/C(=N\Nc2ccnc3cc(Cl)ccc23)c2cc(F)ccc21 13319770 AEMKWUQKUYHWPU-XQNSMLJCSA-N 389.839 4.021 30 40 GIEB COCc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)oc2ccccc12 24506283 WIHCZALVYUUCKN-UHFFFAOYSA-N 387.357 4.380 30 40 GIEB C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2sc(C)c(C)c2c1=O 53414929 BRZAGXGHVIXTGZ-NSHDSACASA-N 388.518 4.375 30 40 GIEB Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCO2 84016872 OWHYRURAEGJYHP-FNORWQNLSA-N 382.366 4.392 30 40 GIEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 224724186 RMLSTIJCBISURO-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COC1=C[C@H]2OC(=O)CC=C2C=C1 253477368 FKBRWBRHJLISDV-UNNUSUAFSA-N 384.516 4.468 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409345525 JCMSOPZDXDKKDP-CPNJWEJPSA-N 395.505 4.421 30 40 GIEB CCOc1ccc(OC(C)(C)C(=O)OCc2cn3ccccc3c2C#N)cc1 32898989 IFTAOZCECFXRDW-UHFFFAOYSA-N 378.428 4.110 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 102859018 OTNAOPIMEUTNAB-JBCNATCCSA-N 392.499 4.283 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 784796 FVMMRBARTJZUHY-UHFFFAOYSA-N 396.537 4.416 30 40 GIEB C[C@H]1CCC[C@@H]1/C(=N/S(=O)(=O)c1cccc2cccnc12)N1CCCCC1 104094539 FXDROURZMAFNBJ-WNAPHXSWSA-N 385.533 4.244 30 40 GIEB C=C(C)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3 13690277 SKVOYXBXMVXCSJ-UHFFFAOYSA-N 390.512 4.151 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\C1CCCCCCC1 4577415 BCOIMQMPPNCHRX-NKWDDMGQSA-N 387.549 4.448 30 40 GIEB COc1ccccc1-c1cnnc(N/N=C/c2cc(Cl)cc(Cl)c2O)n1 4660097 NWUUUCXUWKHYSP-DNTJNYDQSA-N 390.230 4.006 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1 9329961 QLPLQVODHUDVEW-KSFYIVLOSA-N 386.455 4.011 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1cccs1 97105072 JRCMECKZXZITTI-UZLBHIALSA-N 386.469 4.085 30 40 GIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408857410 GIZASIMNZZIRHS-BOPFTXTBSA-N 383.860 4.442 30 40 GIEB N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CC[C@H](c2ccccc2)C1 256048115 QUWAUBSMRKJTRI-HNNXBMFYSA-N 383.377 4.152 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508223 AKMGOLMVBIBATQ-LUKLJDOSSA-N 382.548 4.386 30 40 GIEB C=CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nc2ccccc21 5618871 PYSSJOBIVIYCNP-UHFFFAOYSA-N 383.517 4.262 30 40 GIEB C#CCn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 5827658 HLYDLTCIWOHCSG-XDHOZWIPSA-N 375.428 4.305 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14398922 FWEUAMMFTUWNRL-INIZCTEOSA-N 380.488 4.306 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4OC)[C@H]3C[C@H]12 4043551 LYFSZLNQEISTTA-HSWWXKJFSA-N 383.532 4.142 30 40 GIEB biogenic N#Cc1ccnc(OCC2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 1888918206 JGJKYJRPPWABRA-UHFFFAOYSA-N 390.512 4.368 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(SCC)oc1C 1421402 WRXFHHJADZUOLX-SFHVURJKSA-N 375.490 4.231 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 8740613 SUFSUHRHXOWQEO-QGZVFWFLSA-N 380.425 4.136 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1 1354550 NAUNHNKBCQISKF-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 2617284 XGPZIVIAPNCKDA-GOEBONIOSA-N 396.512 4.420 30 40 GIEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCC#N 107768813 BAAJPFMPSNGZOT-BOPFTXTBSA-N 399.859 4.143 30 40 GIEB C/C(=N\OCC(=O)Nc1ccc(Cl)cc1F)c1ccc(-n2cccn2)cc1 12737939 DGYIUADZUYDQBF-ZMOGYAJESA-N 386.814 4.044 30 40 GIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 13691465 JNHPTYFHRPUKHP-UCQKPKSFSA-N 398.462 4.483 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 4494081 GMCIBPQCFBAKOT-UHFFFAOYSA-N 384.741 4.257 30 40 GIEB N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 67062559 WRXYCAHJUOTCTK-GOSISDBHSA-N 390.270 4.148 30 40 GIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)c1 409084423 BPBPTFUDPGEVQE-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C 90627914 UQWZWQYTKPEDAK-DFWAIWNTSA-N 380.484 4.403 30 40 GIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccco2)CC(=O)O3)C1=O 1081801724 SQUDOWASYIFVKP-BKQORJHRSA-N 388.375 4.345 30 40 GIEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(OC(F)F)cc3)c3n2CCC3)cc1 17015696 GHMZUHJOOMFSDO-UHFFFAOYSA-N 383.418 4.182 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cccc3ccccc23)c1C#N 717068 WMYCPDYXXBFTLM-UHFFFAOYSA-N 377.469 4.292 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 103098335 YHRGAQXDLBZILW-YDJIHCHBSA-N 379.456 4.225 30 40 GIEB C=CCOc1ccccc1CN(C(=S)NCCN(C)C)c1ccc(C)c(C)c1 20623390 GZUAWZSYKUSNPU-UHFFFAOYSA-N 397.588 4.311 30 40 GIEB Cc1nc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2nc1C 12546028 RYTAUTFDEFVTTP-UHFFFAOYSA-N 378.435 4.294 30 40 GIEB N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 12885811 GEXJGMMYLHVHFE-SXGWCWSVSA-N 398.850 4.216 30 40 GIEB C[C@@H](C/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12)c1ccc(F)cc1 64358323 INWVMAQOLMDGTP-LBPRGKRZSA-N 390.411 4.352 30 40 GIEB O=C(O)c1ccc(Cl)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 409097892 NVMRCUSPRVSHLY-UBKPWBPPSA-N 399.584 4.165 30 40 GIEB COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1Br 137372160 CGFGQQNHCLVLQD-LVUZNEBMSA-N 395.303 4.332 30 40 GIEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225925543 MLZFTDINNROOQH-UHFFFAOYSA-N 383.521 4.122 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OC 5016771 NALCRTOYIDBXTL-GZTJUZNOSA-N 381.815 4.014 30 40 GIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCC(C)C)cc1 32828792 LNMOVYWFXXMOEA-IBGZPJMESA-N 394.500 4.045 30 40 GIEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc4c(c3)OCO4)C(=O)N=C2S1 33354127 NJDOMRZXSYUCAV-CTLFBJNRSA-N 398.488 4.395 30 40 GIEB COc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 1354506 CDYPEBHCLQHLQW-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB N#Cc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1 2806616 JXUTWIMLFQZSMN-UHFFFAOYSA-N 377.407 4.395 30 40 GIEB CC[C@@H]1/C(=N/O)C2=C(CC(C)(C)CC2=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 4073775 YCUGTVORTDTIRL-IVWCYZMJSA-N 398.503 4.116 30 40 GIEB biogenic CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 4785563 MXSSMVDONZKESZ-NEXQYMHDSA-N 383.495 4.021 30 40 GIEB N#Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 5868154 RMXIPOAKPLTYJV-QGZVFWFLSA-N 393.493 4.438 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 6001517 ZHEMLQJZRVXGTE-OAHLLOKOSA-N 399.491 4.222 30 40 GIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2Oc2ccccc2)n1 6607498 CNSRLJDXKDMUGT-QGZVFWFLSA-N 392.436 4.277 30 40 GIEB COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccsc3)cc2)cc1 7505598 PPSQERASOUWYIO-BIIKFXOESA-N 399.493 4.454 30 40 GIEB COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1OCC#N 8039578 JBAZJKNZDITHHR-RPAADVPWSA-N 376.456 4.147 30 40 GIEB O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 40119637 LPDCUYBOMUHSAI-UHFFFAOYSA-N 396.443 4.107 30 40 GIEB N#Cc1ccccc1COc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1 408979600 NDPMJFRAICTEES-UHFFFAOYSA-N 380.451 4.362 30 40 GIEB C=CCn1cc(-c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(C)cc2)c1=O 1403038 UYMJTPLQNGRLFF-UHFFFAOYSA-N 399.899 4.496 30 40 GIEB CC[C@@H](C)c1ccccc1OCCn1cc(/C=N/NC(N)=S)c2ccccc21 4083357 KQKVUXQWQTYIPS-HUSFYUSLSA-N 394.544 4.401 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1OC 18197167 WSESRSYJNNULEF-QFIPXVFZSA-N 395.455 4.286 30 40 GIEB O=C(/C=C/c1ccc(Br)o1)Nc1cccc(C#Cc2ccccn2)c1 43483437 BBWRWNUGVCQCGE-ZRDIBKRKSA-N 393.240 4.489 30 40 GIEB Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2cc(Br)ccc2O)cc1 51331127 SASLVJQXVYKIMV-NVMNQCDNSA-N 389.278 4.266 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 58216577 NQVKHPRPMIVHDS-NRFANRHFSA-N 378.520 4.275 30 40 GIEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccc(C(C)=O)cc3)c2=O)cc1 101581672 DWVKFEIILVYMLB-WSDLNYQXSA-N 393.468 4.116 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1 102801919 SZNVGPGSHYYPOI-GROYHEBESA-N 376.437 4.078 30 40 GIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 104199244 BEYGDVCHUMESAC-XDQVBPFNSA-N 383.608 4.239 30 40 GIEB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc(OC)c2C#N)cc1 1103457 BBTMAKCGRQAERS-UHFFFAOYSA-N 376.412 4.322 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2=C(C[C@@H](C)CC2=O)N1 4944090 GLOLWJBZHYMUIN-PEBXRYMYSA-N 387.483 4.243 30 40 GIEB CCOc1c(I)cc(/C=N/Nc2ccccc2)cc1OC 6958178 OKMWGMMVWUYAGA-WOJGMQOQSA-N 396.228 4.145 30 40 GIEB CCN(CC)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21 20608618 FDROJKDHJQGXCW-MOHJPFBDSA-N 375.394 4.472 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc([N+](=O)[O-])cc1 1899649 IJPCXPPNHSBOEG-WQRHYEAKSA-N 393.376 4.492 30 40 GIEB Cc1cc(C)nc(Sc2ccc(NC(=O)COc3ccccc3C#N)cc2)n1 11286234 MOVZGLOMKXWAQC-UHFFFAOYSA-N 390.468 4.134 30 40 GIEB Cc1nc2ccc(Cl)cc2c(=O)n1/N=C/c1ccc(Br)cc1 3660995 MCNMBGDVRGEUQB-DJKKODMXSA-N 376.641 4.003 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br 409377450 IDUIGBSCGUWIQC-LCYFTJDESA-N 384.320 4.235 30 40 GIEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 408946188 YKOJAPPRRDKUFY-CXUHLZMHSA-N 390.208 4.483 30 40 GIEB CCOc1nc(N)c2c(c1C#N)OC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 22145706 OVUIPHDIDVZCBH-QGZVFWFLSA-N 389.455 4.102 30 40 GIEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCCC 5416848 AZAHSHGIAQOGOI-GOSISDBHSA-N 393.535 4.336 30 40 GIEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 6959442 YDGMAGMVFAQLIJ-FBHDLOMBSA-N 376.840 4.181 30 40 GIEB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1C 7309041 LVRBJZAEKLSMOG-RUZDIDTESA-N 395.462 4.171 30 40 GIEB O=C1N=C(N/N=C/c2cccs2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 18208621 NOIBOMFSKISZPU-NACCWKTGSA-N 384.313 4.219 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccccc2)ns1 42090604 MAPYATUMZWHMIG-UHFFFAOYSA-N 375.413 4.021 30 40 GIEB N#Cc1c(NC(=O)CN[C@H](c2ccccc2)c2cccs2)sc2c1CCC2 58175522 CJKOEZLHKVTYGK-HXUWFJFHSA-N 393.537 4.488 30 40 GIEB CCc1nc(SCC(=O)N[C@H](C)c2ccccc2)c(C#N)c2c1CCCC2 71328744 NTCCHBTYBSIGAX-OAHLLOKOSA-N 379.529 4.364 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 102925426 MVRKFYDKCQYBSF-MOBKVPTQSA-N 398.462 4.320 30 40 GIEB COCc1cc(C)nc(N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1C#N 409216435 IFQXBIJABKWOGI-SCDVKCJHSA-N 394.218 4.069 30 40 GIEB COc1ccc(CNC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 915355 FFGPJGRNNNGLMX-UHFFFAOYSA-N 391.496 4.140 30 40 GIEB N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2cccc(Br)c2)[nH]c1=O 1026718 SEVHHPODVKAUIW-UHFFFAOYSA-N 395.212 4.072 30 40 GIEB CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccccc1 8090179 JEOJQBDHUHGZAO-UHFFFAOYSA-N 397.529 4.246 30 40 GIEB C=CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 2993546 SAGIWPGZHMHZAW-QCDXTXTGSA-N 398.292 4.487 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)cc1 24626379 FMJUMVQHKPMQQC-AVRDEDQJSA-N 394.515 4.055 30 40 GIEB COc1cccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)c1O 13124231 XHEZFRUNCVZANT-FSJBWODESA-N 380.469 4.211 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 4119651 GEMSDVYZWVGUAM-PZJWPPBQSA-N 379.412 4.223 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(nn(-c3ccccc3)c1O)N2 6139942 LKYVJEVECAONJA-GOSISDBHSA-N 375.403 4.282 30 40 GIEB N#CCN1CCc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc21 65565293 FRTLVIUTIVZIFA-UHFFFAOYSA-N 395.528 4.421 30 40 GIEB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1cccc(C#N)c1 4767015 CUBRJYWLDDNNPB-QMMMGPOBSA-N 398.633 4.097 30 40 GIEB C=CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 408900014 WTJLZHKJKZYRNP-UHFFFAOYSA-N 393.483 4.303 30 40 GIEB COc1cc2c(cc1/C=C1\S/C(=N/c3ccc(C)c(C)c3)N(C)C1=O)OCO2 409052479 UAKQQCBGTGOPBS-YIHQBAOTSA-N 396.468 4.275 30 40 GIEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)O2 225823771 VSDXPSQITSSXJX-UHFFFAOYSA-N 395.846 4.244 30 40 GIEB C=CCCC[C@@](C)(C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21 95611356 LISRMFGFPARVTL-QHCPKHFHSA-N 379.456 4.389 30 40 GIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 12406476 IBISBKYAIDVORC-KZULUSFZSA-N 394.456 4.119 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682449 HFGIHQMJIYXAIG-KOEQRZSOSA-N 398.466 4.316 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1Cl 19911376 DWPHPCZDKMECHL-SFHVURJKSA-N 379.843 4.472 30 40 GIEB CCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2096563 RZFCDVCOHOXLSJ-UHFFFAOYSA-N 383.210 4.492 30 40 GIEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccs1 3218763 PCAVFRFGCNGWOJ-HEHNFIMWSA-N 398.285 4.355 30 40 GIEB COc1ccc(/N=C(/CCN2CCN(c3ccccc3)CC2)NC(C)(C)C)cc1 5390516 FGCSHLPDSUNWMG-UHFFFAOYSA-N 394.563 4.326 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1Cl 7966307 OXAZPSKTONAKBR-NNPDONQDSA-N 383.904 4.403 30 40 GIEB C[C@H](Oc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1)C(=O)O 13140767 AKAKPTCLHWYKMU-DJTWPOEFSA-N 375.218 4.197 30 40 GIEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc(OC)c1OC 13721198 SLOHRBHYOMKKSM-GOSISDBHSA-N 398.459 4.209 30 40 GIEB C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1C1CCCCC1 14241153 PKAQHTBTGRAZAZ-GOSISDBHSA-N 384.549 4.433 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(Cc2ccco2)c1C 14633002 JYJYXMBDPZAFEP-UHFFFAOYSA-N 388.471 4.009 30 40 GIEB COC(=O)/C(C#N)=N/C(=C\C=C1/N(C)c2ccccc2C1(C)C)c1ccccc1 17108592 AWLYLESJISVDAJ-XYELLLSYSA-N 385.467 4.477 30 40 GIEB Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C 18024811 FRQSUDDXTDAWPP-UFFVCSGVSA-N 376.243 4.247 30 40 GIEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cc(F)c(F)c(F)c1F 102658256 PGNBFYQYLFGSFP-LGUFXXKBSA-N 385.320 4.128 30 40 GIEB C[C@@H]1CCCCN1c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] 226362670 SKZXPOHEMVYCBV-OAHLLOKOSA-N 388.427 4.488 30 40 GIEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c(OC)c1 4944880 VBTQVEPYJNDYCF-SFHVURJKSA-N 377.440 4.231 30 40 GIEB N#C[C@@H]1C=C(OC(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 651204 JINKPBGRSFNWDA-IBGZPJMESA-N 380.403 4.437 30 40 GIEB Cc1cc(=O)n2nc(N=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)sc2n1 4064984 BOBGCBAIFOSMHY-UHFFFAOYSA-N 384.505 4.060 30 40 GIEB CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cccnc1 16035636 LMMBPJVUNLEMEY-ZUPVXLMDSA-N 387.306 4.177 30 40 GIEB N#Cc1c(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)sc2c1CCC2 7880023 NBOZDFMNLKNJMT-LJQANCHMSA-N 383.542 4.118 30 40 GIEB N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 71843993 YKCXERGUPYYVBO-RRFJBIMHSA-N 388.393 4.003 30 40 GIEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cn1 95953282 ZTWVPMJMAMLENC-UHFFFAOYSA-N 375.453 4.431 30 40 GIEB C=CCNC(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408977714 XFFGWLCCJYJKMG-UHFFFAOYSA-N 380.411 4.187 30 40 GIEB CC[C@H](Sc1nc(C)cc(C)n1)C(=O)N[C]1SC2=C(CCCC2)[C@@H]1C#N 409416304 ZVJVQKDDQPVSCM-GJZGRUSLSA-N 387.554 4.285 30 40 GIEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223742107 LJUPUDWWQTZVCO-UHFFFAOYSA-N 389.517 4.204 30 40 GIEB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC#N 15013632 OPQGOUDBVHZDIW-QGOAFFKASA-N 380.425 4.229 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 4385963 RGGQJWKJGIGYDE-INIZCTEOSA-N 395.890 4.271 30 40 GIEB C=CCOc1ccc(CN(C)C[C@@H](O)COc2cccc3ccccc23)cc1 3390784 XIKYZTGDAQDTNU-OAQYLSRUSA-N 377.484 4.276 30 40 GIEB CN(Cc1ccccc1NCC(=O)Nc1ccccc1C#N)C1CCCCC1 3410875 ULKRJQVNCJYRJX-UHFFFAOYSA-N 376.504 4.373 30 40 GIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 9014014 QVPYTQGIXUFFMQ-XOBRGWDASA-N 376.847 4.347 30 40 GIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1Br 10001485 SEBBREWUHGJQQS-PORMKJMCSA-N 390.233 4.190 30 40 GIEB C=CCN(C(=O)Cc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 14723568 XJXYWTVWQSVOME-UHFFFAOYSA-N 392.480 4.343 30 40 GIEB CCOc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197642 UAKPIGTZHVSETH-XOBRGWDASA-N 392.484 4.154 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)c1c(O)n[nH]c1N2 18197866 NJJCDFOYILRGTH-ZBEGNZNMSA-N 381.819 4.320 30 40 GIEB O=C1N=C(N/N=C/c2cccs2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 18209424 NOIBOMFSKISZPU-VFJJTOLMSA-N 384.313 4.219 30 40 GIEB N#Cc1c(Cl)nsc1NCC1(c2ccc3c(c2)OCCO3)CCCC1 84452392 JLUXZBDBYFJQNZ-UHFFFAOYSA-N 375.881 4.363 30 40 GIEB C=CCc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(OC)c1O 408527022 AKEFUOPWDRRXEU-PDGQHHTCSA-N 380.469 4.329 30 40 GIEB CCc1nnc(S)n1/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408849507 WJFLDCMGFINJLC-WSDLNYQXSA-N 375.501 4.323 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 1857150 UDMJLTUKEOKBAC-DTQAZKPQSA-N 391.514 4.098 30 40 GIEB C=CCn1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 2830474 WBVQJGNOYNLLQO-UNOMPAQXSA-N 375.403 4.059 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c1C 4790807 HCPPDNBJWXQWHQ-UHFFFAOYSA-N 386.546 4.047 30 40 GIEB C=C(C)[C@@H]1CC=C([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)CC1 105366927 LOISBJJFWMKRLS-ICAIUHKLSA-N 376.460 4.125 30 40 GIEB C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(N(C)C)cc1 3255995 BYZSNCXGTCRJKV-UHFFFAOYSA-N 376.456 4.194 30 40 GIEB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2c2ccccc12 3496037 XBUOZVMHIGPXHV-AWEZNQCLSA-N 387.468 4.182 30 40 GIEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCCCC3)cc1 27526009 MRNBOHJFEVICAO-UHFFFAOYSA-N 375.492 4.369 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c(C)c1 408721136 LCSXNBYEQOWLOA-WQRHYEAKSA-N 396.472 4.169 30 40 GIEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 13776877 AXKBHCVKDTZBJB-ZDLGFXPLSA-N 388.778 4.203 30 40 GIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N1CC 408928384 APPSNJIHQNCODS-BQXUQRCCSA-N 397.500 4.135 30 40 GIEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408941182 OUCWWVARCCEXNF-QGOAFFKASA-N 380.831 4.347 30 40 GIEB C[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC1CC1 7359608 FKSGZGYEPAAAIF-SECBINFHSA-N 397.447 4.460 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409076211 ZQLVWFJVPZUDRT-VURRPDKYSA-N 393.241 4.376 30 40 GIEB Cc1cccc(OCc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)c1 223685381 RLJIEJFXOSJRHB-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(F)c2)C(=O)C1 5727705 DKNPAEPJJZCRKN-FQEVSTJZSA-N 384.447 4.280 30 40 GIEB CCc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 14164997 LPZDHVAEASJYTE-MGPLVRAMSA-N 376.382 4.127 30 40 GIEB COc1ccc(-c2cc([C@@H]3N=Nc4c(C#N)c(-c5ccccc5)nn43)n[nH]2)cc1 16217424 DDSSFAFSONLSDK-OAQYLSRUSA-N 381.399 4.465 30 40 GIEB C/C(=N\OC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1)c1ccccn1 888134 SZMSSLXKZDHIHN-ZMOGYAJESA-N 382.851 4.178 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(CC)cc1 2241813 WOKSZKPUILIKRT-UHFFFAOYSA-N 398.557 4.410 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccc1 2446690 MPQVCZLSYDWSMW-UHFFFAOYSA-N 394.500 4.261 30 40 GIEB O=C1[C@H](Cc2ccccc2)S/C(=N\N=C\c2ccco2)N1c1ccccc1 4160004 WWJBBAVZMXDREP-JQHRZMLTSA-N 375.453 4.361 30 40 GIEB CC(=O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 6250928 QRQFQWXERYEBSS-UHFFFAOYSA-N 392.480 4.445 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1ccccc1 6813800 RYOXLLJXJMBXPW-LJQANCHMSA-N 377.371 4.197 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)n1 9220459 BHUSAQVQXKCFPW-UHFFFAOYSA-N 380.517 4.210 30 40 GIEB COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 12728840 SGSPSXRGSPVFEU-UHFFFAOYSA-N 397.431 4.426 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 12799551 IAOAGZOBDQYBJI-INIZCTEOSA-N 385.876 4.159 30 40 GIEB CCOC(=O)c1c(/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)sc(C)c1C 17994120 WSXQULLQWIVCAR-XYHOIZSOSA-N 383.473 4.283 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)NC[C@@H](CC)c3ccccc3)ccc2c1=O 18153202 PFULIVKFPAJHPO-OAHLLOKOSA-N 393.512 4.169 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC 20633200 DJZGOJOAISTHKR-HXUWFJFHSA-N 375.428 4.063 30 40 GIEB CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1Cl 20849370 DCVSPFMZBKDLID-ATJXCDBQSA-N 384.819 4.498 30 40 GIEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 29225097 ZNCJBCAOONASLF-UHFFFAOYSA-N 377.275 4.053 30 40 GIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2ccccc2C1 35400082 CXHNELIFHSHXKI-HNNXBMFYSA-N 379.529 4.274 30 40 GIEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1 38139245 IQOJUDDMZHTDSZ-UHFFFAOYSA-N 388.423 4.326 30 40 GIEB aggregator CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 44973550 JQYMFPDYJDUBCF-OAHLLOKOSA-N 395.532 4.157 30 40 GIEB Cc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c1 100532563 YGBMLCRDBGARPL-FLFQWRMESA-N 399.410 4.122 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(F)cc1 409241906 SSGZSTPHSFEPNP-LBCNESNHSA-N 384.432 4.236 30 40 GIEB C=CCc1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)c(OC)c1 12390688 AASDKCCWEMQTOQ-UHFFFAOYSA-N 388.427 4.329 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 848857 OHFPJFDKCJZTDM-VQTJNVASSA-N 376.847 4.121 30 40 GIEB O=C1C(=O)N(c2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102879738 IHLPFFBLKRSUFW-LFVOPCPISA-N 390.826 4.361 30 40 GIEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCCCCC1 2138209 WMBNTQJZLAXSOD-MTJSOVHGSA-N 393.439 4.113 30 40 GIEB biogenic CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 13136005 ROHGXJVVLVRSCT-BMIGLBTASA-N 387.530 4.287 30 40 GIEB C=CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1 6748099 VRETYCOZKYMRKN-UHFFFAOYSA-N 392.893 4.279 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 4189412 RTLPBYJEMADABF-GCKAQTDUSA-N 380.419 4.057 30 40 GIEB COc1ccc(Br)c([C@@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)c1 36611760 CGORZITTYXOQMJ-GOSISDBHSA-N 390.277 4.015 30 40 GIEB C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1O 409074270 STTWEBSMSDPKHN-UHFFFAOYSA-N 393.483 4.173 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1F 33584072 YVCGPOGPEFOIDN-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB CC(=O)/C=C/c1ccc(OCc2ccc(I)cc2)cc1 685937763 PVDIUCPVBRVMSP-NSCUHMNNSA-N 378.209 4.472 30 40 GIEB CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 5335821 FWWHWXRFMYIIDG-VMPITWQZSA-N 381.428 4.101 30 40 GIEB COc1ccc(CCC(=O)N2CCCS/C2=N\c2ccc(C(C)=O)cc2)cc1 101711083 IIQOSWIULIMIIJ-FCQUAONHSA-N 396.512 4.484 30 40 GIEB C[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 4778950 PACPHXDKXPVVAN-RSPDNQDQSA-N 388.345 4.161 30 40 GIEB Cc1cccc(CN2CCN(/C=C/C(=O)c3ccc(OC(F)F)cc3)CC2)c1 33797183 QZFGGNQZKZAARL-MDZDMXLPSA-N 386.442 4.111 30 40 GIEB CC(C)c1ccc(/C=N\NC(=N)C(=N)N/N=C/c2ccc(C(C)C)cc2)cc1 104368563 BEMNMYJPBGGSOF-KGRJIBJCSA-N 376.508 4.435 30 40 GIEB C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 65749347 QVHQSVXFTXLGLS-ZDUSSCGKSA-N 376.250 4.420 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(Cc2ccccc2)c1C 8487079 UNEUZFKCKPUUID-UHFFFAOYSA-N 376.485 4.151 30 40 GIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)cc1 4331386 FMSBVRVKRRKQKO-HNNXBMFYSA-N 380.517 4.290 30 40 GIEB N#Cc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5884325 NYVATBSKVBDVLV-UHFFFAOYSA-N 394.296 4.397 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]5(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 118936557 DQUBYFKUBFHVEG-JCEXDNNUSA-N 387.520 4.479 30 40 GIEB O=C1CN(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1/N=C/c1ccc(F)cc1 408974327 FDBSSDTZZWUGDJ-SIBVSACJSA-N 391.421 4.342 30 40 GIEB COc1ccc(OCc2nc(SCc3ccccc3C)nc(N)c2C#N)cc1 223695306 DJZYMIVWEOQLGK-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC 5127968 DECZMLNHKCHILL-BQYQJAHWSA-N 377.234 4.371 30 40 GIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1F)CC2 8115813 OLCUKCWLTMQKLX-XSFVSMFZSA-N 378.197 4.104 30 40 GIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 13511451 JMKJZHKMDUEINT-RBZQAINGSA-N 377.484 4.394 30 40 GIEB CCCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 14165083 COPQTCIDZQGUNT-KZULUSFZSA-N 384.505 4.057 30 40 GIEB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 16683226 RIROAGPJSYUERJ-INIZCTEOSA-N 376.485 4.480 30 40 GIEB O=CS/C(=N/C(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 17221899 PAXGBSTVXNXOKX-UHFFFAOYSA-N 383.256 4.290 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4821553 ZRBZZVANWIFELQ-FYYLOGMGSA-N 377.484 4.380 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(F)c1)c1cccs1 85409790 FVARNEFHRUDIHC-CQSZACIVSA-N 386.429 4.127 30 40 GIEB N#Cc1c(CCc2ccccc2)nc(SCc2ccc(Cl)cc2)[nH]c1=O 1016890 QTJQPINZJBICMF-UHFFFAOYSA-N 381.888 4.372 30 40 GIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 2617833 QMCGJESVCVZWSQ-UHFFFAOYSA-N 378.457 4.084 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 4385545 KJRSDWVJNUQKFH-NYHFZMIOSA-N 382.423 4.440 30 40 GIEB O=C1O[C@H](c2ccc(Br)cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 5249097 IQVNOJDNAZHMMD-MRXNPFEDSA-N 393.620 4.395 30 40 GIEB C/C(N=C1C=C(C(C)C)C(=O)C(C(C)C)=C1)=N/S(=O)(=O)c1ccc(C)cc1 5752718 RTWZDELXPNRFGB-KQWNVCNZSA-N 386.517 4.291 30 40 GIEB CCOc1cc(C#N)cc(Cl)c1OCC(=O)N[C@@H]1CCCc2ccccc21 8315453 HNDHMMOFMBLEIT-GOSISDBHSA-N 384.863 4.183 30 40 GIEB CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 20955966 SBUVUANKUQBARP-JOCHJYFZSA-N 377.488 4.169 30 40 GIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 96346669 VCFQBHMMOZGFNF-WOJBJXKFSA-N 388.446 4.283 30 40 GIEB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 107346766 ZBXWRWJLOBAJTQ-BPUTZDHNSA-N 382.533 4.246 30 40 GIEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 219644488 UWNHEJSDQFJCGT-UHFFFAOYSA-N 383.835 4.227 30 40 GIEB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C#N 408620469 JCHCBYYFBRSDAQ-UHFFFAOYSA-N 380.256 4.000 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1 4919700 QNPUHMAHUKIAGP-GCJKJVERSA-N 380.440 4.023 30 40 GIEB O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1ccc(SC(F)F)cc1 5716274 MDUJEVDLFHTHII-PFHXIJNMSA-N 397.497 4.227 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 6658600 GMLFDFZNFDVYMF-SZNDQCEHSA-N 392.409 4.280 30 40 GIEB O=C1c2ccccc2C(=O)N1CCCCO/N=C/c1ccc(Cl)c(Cl)c1 7063334 CCWUWQWBFWXZDD-WSDLNYQXSA-N 391.254 4.420 30 40 GIEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\[C@H](C)CCCC(C)C 8687978 SMHHZXHLHHRDSU-OAHLLOKOSA-N 385.599 4.158 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nccs2)n1 8843577 ZEBYFBQLWAXBOQ-UHFFFAOYSA-N 386.424 4.248 30 40 GIEB Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2N2CCCCC2)cc1 12563456 KTHSYUGVWSTKNJ-KRWDZBQOSA-N 380.521 4.102 30 40 GIEB C/C(=N\OCC(=O)N1CCCc2ccccc21)c1nc2ccccc2n1C(F)F 22322424 JXWODEFEWMOPGQ-AFUMVMLFSA-N 398.413 4.151 30 40 GIEB Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c1Cl 30522193 RFQPJSOCKDBULL-UHFFFAOYSA-N 383.300 4.303 30 40 GIEB COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 100418047 YEDBRXZZYMKTMT-UHFFFAOYSA-N 390.164 4.091 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccccc2[N+](=O)[O-])cc1 104094072 HOMSXZQIKFFISV-STZFKDTASA-N 395.440 4.455 30 40 GIEB Cc1ccc(CSc2nc(N)c(C#N)c(COc3ccc(F)cc3)n2)cc1 223689641 KOJCKBQDRHIUJK-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=C1[C@H](C)[C@@]23CCO[C@H](c4ccc(OCCN5CCCC5=O)cc4)[C@H]2C[C@@H]1C3 257284745 PECOILNRHGYAMK-XOJSTODYSA-N 381.516 4.368 30 40 GIEB O=C(O)c1cc(-c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])o2)ccc1Cl 409104713 FDWWRGZPRKHGAG-UKWGHVSLSA-N 386.751 4.047 30 40 GIEB C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 11689720 BSWUGTZLUADDFH-RSFOSLOZSA-N 375.856 4.033 30 40 GIEB COc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1 1079157 YSWFCNXABGWOBR-UHFFFAOYSA-N 381.482 4.421 30 40 GIEB CCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@H]2c2ccccc2)cc1 12389356 NQDMXKOFTSLCEK-GLBTYYSXSA-N 376.456 4.338 30 40 GIEB COC(=O)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 103615277 KNXIIXYUJXLYPC-GDNBJRDFSA-N 394.652 4.454 30 40 GIEB CCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182629 ZMXCFAXBFSAFRX-JAIQZWGSSA-N 391.423 4.045 30 40 GIEB CCc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 18195061 IGIKKNSJZOKOHO-QFIPXVFZSA-N 387.483 4.251 30 40 GIEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 4704522 WDALTEKTMBZAHW-DEDYPNTBSA-N 399.450 4.111 30 40 GIEB CCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 5712283 JTLJHOWEOXXCOR-XSFVSMFZSA-N 380.897 4.221 30 40 GIEB C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C(C)C)cc2)c1 9220709 IHJHYZDABWTSIH-UHFFFAOYSA-N 386.517 4.129 30 40 GIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409304774 KWPPAEMHZDLHED-UHFFFAOYSA-N 384.277 4.339 30 40 GIEB O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 1162676 PZNMLJIQGSBDRM-ZSNJSTEGSA-N 397.474 4.136 30 40 GIEB O=C1/C(=C/c2ccc3c(c2)OCCO3)CCC/C1=C\c1ccc2c(c1)OCCO2 5722836 ULFBIHLWIVBRDI-KLCVKJMQSA-N 390.435 4.449 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 4061027 MQXLSSHNODEDQZ-RBBKRZOGSA-N 381.447 4.211 30 40 GIEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2)ccc1O 675972 WJQPWZWXZBBHGW-LPYMAVHISA-N 388.383 4.374 30 40 GIEB CCOc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1 4474206 IAKDHSWLAAVEMT-GYHWCHFESA-N 377.488 4.242 30 40 GIEB CCN(CC)[P+](c1ccc(OC)cc1OC)(N(CC)CC)N(CC)CC 5369167 OTTJGVCKQVSMGA-UHFFFAOYSA-N 384.525 4.117 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC 6149711 JOOMTRULGCWUFA-HXUWFJFHSA-N 379.456 4.382 30 40 GIEB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C#N)c1 7505335 WWEZCLAOVJYURQ-UHFFFAOYSA-N 384.379 4.167 30 40 GIEB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4sccc4C#N)cc3c2C1 9114226 UPFBJIHZEQPHIX-GFCCVEGCSA-N 393.468 4.021 30 40 GIEB C#CCn1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 9263289 REMLTVGIRMZJOP-XDHOZWIPSA-N 389.842 4.021 30 40 GIEB O=C1CC(c2cccc(Cl)c2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800816 FGAKJAQQJWHTSN-UHFFFAOYSA-N 381.859 4.100 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)n1 36784203 WKZLAIQOQJPXPA-OAHLLOKOSA-N 379.407 4.202 30 40 GIEB CCOC(=O)c1c(C)c2ccccc2n2cc(CN3CCCCC3)c(C#N)c12 48229462 OHUBRHFFXUDBME-UHFFFAOYSA-N 375.472 4.435 30 40 GIEB C=CCn1c(SCc2cccc(C#N)c2F)nnc1-c1ccccc1OC 95455407 BLILCSPHZVKUKQ-UHFFFAOYSA-N 380.448 4.443 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 97104873 AWOQOWCGIVPNST-KNQAVFIVSA-N 398.430 4.162 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 102803608 SBOGDRNDVZUSAU-SELCWUDQSA-N 394.814 4.263 30 40 GIEB O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102879734 IHLPFFBLKRSUFW-WOOAAIBNSA-N 390.826 4.361 30 40 GIEB C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)Cn1cccn1 105040406 MRZZUZXWICAZLY-INIZCTEOSA-N 375.432 4.005 30 40 GIEB C=CCOc1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225458518 MNNHFZJOEUXWNM-UHFFFAOYSA-N 378.501 4.232 30 40 GIEB C#CCn1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 408966620 PPSYRIBUTRYSFA-DEDYPNTBSA-N 387.464 4.175 30 40 GIEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1OC 409280510 LISQPLBAZQCKLS-UHFFFAOYSA-N 391.471 4.344 30 40 GIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccnc3)cc12 409292754 VDPOGEGOGDCILS-UHFFFAOYSA-N 396.406 4.096 30 40 GIEB O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102542143 OMPFECNTEZOZFN-HOGKFDNTSA-N 383.447 4.351 30 40 GIEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 1320639 SOMOMQPXZYOCLK-DEOSSOPVSA-N 377.484 4.367 30 40 GIEB CN(C)N1C(=O)C[C@@H](c2cccc(F)c2)C2=C1C[C@H](c1ccccc1)CC2=O 1432864 SJPMIDWHYOCAHE-HKUYNNGSSA-N 378.447 4.019 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(C)cc3)NC1=O)OCO2 408963529 CCCHDYFOHDJLRH-GIJQJNRQSA-N 382.441 4.014 30 40 GIEB C=CCN1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O 408954248 SDKLSMJXCCQIEB-YVMONPNESA-N 393.056 4.027 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C)CC1=O 4910217 GPCQGGAIVLXJKB-LJQANCHMSA-N 389.499 4.234 30 40 GIEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc2ccccc12 100072584 VJYIBAXRBYPCEN-DRGFOCDESA-N 389.480 4.430 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc(C)c1 3400738 UBDVQJFMESFPFA-WMZOPIPTSA-N 384.549 4.227 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C)C2=C(C[C@@H](C)CC2=O)N1 4944091 GLOLWJBZHYMUIN-JLCFBVMHSA-N 387.483 4.243 30 40 GIEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 17201345 YQXCQOOCMWBICS-NRSPTQNISA-N 376.610 4.338 30 40 GIEB O=[N+]([O-])c1ccc(O/C(=N/C2CCCCC2)NC2CCCCC2)c([N+](=O)[O-])c1 17877579 YGHMLXDRUFSILD-UHFFFAOYSA-N 390.440 4.493 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C)cc2)cc1 104184821 PQDLUCSZMQMSBV-GHNGSUTGSA-N 390.464 4.386 30 40 GIEB C#Cc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 107105207 HQPKXAGITFOJKT-UHFFFAOYSA-N 390.752 4.173 30 40 GIEB CCOC(=O)/C(=C\Nc1cc(C(C)(C)C)sc1C(C)=O)C(=O)C(F)(F)F 100038282 SQRRGJJUDPOZFJ-NTMALXAHSA-N 391.411 4.239 30 40 GIEB C=CCn1c(SCCOc2ccccc2C(C)=O)nc2ccsc2c1=O 12636694 HEIHSGHWOQXBGH-UHFFFAOYSA-N 386.498 4.018 30 40 GIEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(Br)c1O 408846567 OCHHSYNCWBJIJF-XMZKOPSKSA-N 395.322 4.195 30 40 GIEB COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95671234 LFJYRZDDNDXLQI-UHFFFAOYSA-N 394.539 4.168 30 40 GIEB CC(C)OCCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 11769422 RFVFARSARDKTGX-UHFFFAOYSA-N 393.512 4.376 30 40 GIEB C=CCn1c(SCc2nc3ccc(C)cc3[nH]2)nc2sc(C)cc2c1=O 13566216 PFPQQHRKNVMAQG-UHFFFAOYSA-N 382.514 4.429 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4061030 MQXLSSHNODEDQZ-IRLDBZIGSA-N 381.447 4.211 30 40 GIEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5185418 BVDMMNZZRNKSPI-HLGUWXJESA-N 376.767 4.036 30 40 GIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1nonc1N2 20717453 KWKVRDJQYOZDLC-KZULUSFZSA-N 393.834 4.098 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1C 1457722 JIVFBDPFSGQWHN-RFVSGWPVSA-N 376.456 4.226 30 40 GIEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)cc1OC 2465570 CFIOCQHZKABRBX-UHFFFAOYSA-N 395.440 4.033 30 40 GIEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCn1ccnc1 5163950 YDZKXHFDPHRZDD-UHFFFAOYSA-N 399.454 4.491 30 40 GIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 5408132 JLSBZQASOQFPNG-SFHVURJKSA-N 385.847 4.280 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)N(C)C)nnc1-c1ccc(Cl)cc1Cl 7186491 KMIWLXQFYJYRDL-SNVBAGLBSA-N 385.320 4.007 30 40 GIEB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2c1C 7982801 ZPQBGHJUAMNEGT-UHFFFAOYSA-N 393.468 4.002 30 40 GIEB Cn1c(-c2ccccc2)cnc1SCC(=O)N(CCC#N)c1ccc(F)cc1 12730090 CCUYEBVQBBBNBI-UHFFFAOYSA-N 394.475 4.265 30 40 GIEB CCOc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O 12918067 IISVZXBODUEPJF-CMDGGOBGSA-N 385.847 4.467 30 40 GIEB N#Cc1ccccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 14639735 AQFWTPRQCWFFDD-MRXNPFEDSA-N 382.514 4.350 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1 16741389 YKTUXWVCYJXSLX-FQEVSTJZSA-N 377.440 4.158 30 40 GIEB COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 24976625 NLUSAFHXZBYNRO-ZDUSSCGKSA-N 384.501 4.333 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(OCC=C)c(OC)c1 58008745 SCWGPMHRXBXRHL-WYMLVPIESA-N 375.468 4.244 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223016643 HKDJTKQZCLBROU-IBGZPJMESA-N 386.879 4.360 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(C)o2)n1 585294087 NNVVRQGTRUOLEL-NRFANRHFSA-N 388.475 4.424 30 40 GIEB COc1ccc([C@@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1OC 1715763 HELHITGEKNZWFZ-OALUTQOASA-N 390.501 4.444 30 40 GIEB CC(=O)N(C1=C(N2CCCCCC2)C(=O)c2ccccc2C1=O)C1CCCCC1 4535880 GQUZQBBSQVIVNS-UHFFFAOYSA-N 394.515 4.334 30 40 GIEB O=C1C(c2ccccc2)=C(O)c2cccc3c(=O)n(-c4ccccc4)c(O)c1c23 5409265 QJTQUMJRAOPILK-UHFFFAOYSA-N 381.387 4.319 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1 226361892 LUHKSMNJEZDTLH-UHFFFAOYSA-N 387.351 4.378 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)c(Cl)c1 409403938 NURZFJJODGTMPY-UHFFFAOYSA-N 375.815 4.305 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc2c1 786883 CIPJJHAHFSFXAJ-UHFFFAOYSA-N 392.440 4.362 30 40 GIEB FC(F)c1nnc(S)n1/N=C/c1ccc(COc2ccccc2Cl)o1 2791207 ZEXLVGHPRMCUEE-FBCYGCLPSA-N 384.795 4.212 30 40 GIEB COCCNc1nc(-c2ccccn2)nc(-c2cccc(C(F)(F)F)c2)c1C#N 3133819 HULQAMKALOXMRI-UHFFFAOYSA-N 399.376 4.154 30 40 GIEB CSc1ccc(/C=N/OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3332585 LBOKTQKHGFOPRW-ZVBGSRNCSA-N 383.300 4.382 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 3349330 OUAIELCGHLXDAU-UHFFFAOYSA-N 388.807 4.361 30 40 GIEB C=CCNCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 6047830 ZREDZKWQKIVMMP-DEOSSOPVSA-N 399.494 4.302 30 40 GIEB C=CCn1cnnc1S[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 6589839 KHSLTMOPJYOGMF-LJQANCHMSA-N 392.484 4.139 30 40 GIEB CCc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 14164994 LPZDHVAEASJYTE-HWPZZCPQSA-N 376.382 4.127 30 40 GIEB O=S1(=O)CCOC(/C(O)=N/c2c(Cl)cccc2Cl)=C1c1ccccc1 32102446 ZVEXVJMRMOTGRL-UHFFFAOYSA-N 398.267 4.395 30 40 GIEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)cc(Cl)c1OC 32647133 QUKMWZCGCHKNAI-AWQFTUOYSA-N 377.231 4.400 30 40 GIEB N#CCCSc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 95953521 YQBSEJZOHWCMMP-UHFFFAOYSA-N 378.457 4.314 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C(N)=O)C1 408628808 AZFVJHXQZAMCJB-GFCCVEGCSA-N 399.491 4.261 30 40 GIEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 408804471 AFJBRYDZJDUMSC-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409409412 VCLOBOJWLPFILB-BIPCEHGGSA-N 380.831 4.049 30 40 GIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCC(C)C)[nH]c(=O)c32)cc1 4793507 LOUQWVKUFDSHDU-QGZVFWFLSA-N 395.528 4.391 30 40 GIEB CCN(C(=O)CO/N=C/c1ccc(N(C)C)cc1)c1cccc2ccccc12 14359986 OQCZGYCHDMHIPG-LFVJCYFKSA-N 375.472 4.309 30 40 GIEB C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 19594622 AIDRRAIBFGTOQK-XLNRJJMWSA-N 386.337 4.299 30 40 GIEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 22026951 BADDKPRGLWEUCH-WYRTVWCHSA-N 375.516 4.022 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)c3cccc(Cl)c3)n2)n[nH]c1=S 24828769 IFIHHRWXVMFLJS-UHFFFAOYSA-N 391.909 4.080 30 40 GIEB CCN(CC)c1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 35073865 KIZYRUXMNPOISF-HAHDFKILSA-N 384.593 4.300 30 40 GIEB CC(C)(C)n1nnnc1[C@H](c1ccc(C#N)cc1)N1CCCC2(CCCCC2)C1 57710566 XRUBVUARCYWWMP-FQEVSTJZSA-N 392.551 4.435 30 40 GIEB C=CCc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2CC)cc(OC)c1OC 58314085 ANHUMJXAMNQQND-OAHLLOKOSA-N 393.487 4.293 30 40 GIEB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 72313546 KBMYWRAMGLXJBG-FQEVSTJZSA-N 381.476 4.203 30 40 GIEB CC(C)Cc1ccc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 215709523 FIWLJRUTLROHOM-UHFFFAOYSA-N 394.422 4.296 30 40 GIEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1[N+](=O)[O-] 409095402 CINWHBJPTDPEJX-APSNUPSMSA-N 380.154 4.030 30 40 GIEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NCc1c(Cl)cccc1Cl 9195881 PBKSLQFBJKTMKD-UFWORHAWSA-N 384.219 4.043 30 40 GIEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797178 UOVYBVKOJFYVOC-NRFANRHFSA-N 377.444 4.322 30 40 GIEB COc1ccc(-c2csc(/N=C(\O)CN(C)CCOc3ccccc3)n2)cc1 21601446 YXYAWIMPHNVGDU-UHFFFAOYSA-N 397.500 4.418 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1C 4814825 KTQIQWFTOHOMRM-AWEZNQCLSA-N 399.545 4.324 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(I)c1O 408691563 FEWQZNOLIXKHMA-VMPITWQZSA-N 394.208 4.210 30 40 GIEB CC(C)N1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1ccccc1 408905452 AJKHOQIRAVTRBM-WBCKRXDOSA-N 396.468 4.162 30 40 GIEB C#CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 169586225 QMZQZNSKMGNABA-QGZVFWFLSA-N 399.244 4.351 30 40 GIEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795026 XJKTVPFBGUAFPX-YLJYHZDGSA-N 395.455 4.160 30 40 GIEB CCOc1ccc(C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)cc1 2760199 VBHWYANNYXPRGZ-UHFFFAOYSA-N 385.489 4.061 30 40 GIEB CC(C)CC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F 3103213 OETVREQTKQDLGD-UHFFFAOYSA-N 378.263 4.360 30 40 GIEB O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)o1 3237876 SWDRMLUPLYTSNN-NGYBGAFCSA-N 392.746 4.181 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 4029600 RNTVEMBMXUXGLJ-FNFUBSOHSA-N 397.559 4.355 30 40 GIEB biogenic N/C(Cc1cccc2ccccc12)=N\OC(=O)c1cccc(Br)c1 4860752 PYPPEIOCNYBGOO-UHFFFAOYSA-N 383.245 4.274 30 40 GIEB CCc1ccc(S(=O)(=O)Nc2ccccc2/C(=N/O)c2ccccc2)cc1 5260033 KHQJBYQLYCBEHS-QURGRASLSA-N 380.469 4.276 30 40 GIEB CCC[C@@]12C=C(OC)C(=O)C=C1O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 5664171 IXBQEKYFGIOCFL-JYYJXNPCSA-N 388.460 4.203 30 40 GIEB CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccn1 16035760 UAGHTCYHFPYDTQ-KVPOIBJCSA-N 387.306 4.177 30 40 GIEB N#Cc1c(NC(=O)CCSc2nccc(C(F)(F)F)n2)sc2c1CCC2 68744487 GVZRAMIYSGHBLU-UHFFFAOYSA-N 398.435 4.038 30 40 GIEB O=C1CSc2sc(C(=O)/C=C/c3cnc(-c4cccnc4)s3)cc2N1 95468058 UZZNBQWAUPGQOA-ONEGZZNKSA-N 385.495 4.207 30 40 GIEB COc1ccc(/C=N/n2c(-c3ccc(OC)cc3)cs/c2=N/C2CC2)cc1 103371008 IDZZNBOIHYDHBK-OSWVXBLQSA-N 379.485 4.179 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 104180330 VBVZVUZQNRQAJG-HVESIFNPSA-N 394.427 4.217 30 40 GIEB CSc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409280832 JZSADOAQPOZLFB-UHFFFAOYSA-N 388.290 4.072 30 40 GIEB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 528927512 INIHQHVAWXZANT-MBSDFSHPSA-N 391.471 4.021 30 40 GIEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3CCOCc3ccccc3)n2)cn1 585294534 HXGRQCFHMBFOHE-HSZRJFAPSA-N 399.498 4.446 30 40 GIEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 1320640 SOMOMQPXZYOCLK-XMMPIXPASA-N 377.484 4.367 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 3098457 QKUCYFKBYMRTCK-HXUWFJFHSA-N 396.443 4.049 30 40 GIEB N#C[C@H](c1nc2ccccc2s1)c1cnn(-c2ccccc2)c(=O)c1Cl 3174549 SXGBZAHIGDUQLZ-ZDUSSCGKSA-N 378.844 4.151 30 40 GIEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)Cc2ccccc2)c1C#N 4087326 DZHZNWYXUJUAMV-UHFFFAOYSA-N 390.464 4.429 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2c1ccco1 5408211 BFOVJIGBVCJLAW-SFHVURJKSA-N 375.428 4.372 30 40 GIEB CCOc1ccc(C(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccco3)n2)cc1 6907933 WSZPRRVMLFXTOA-GFCCVEGCSA-N 395.440 4.076 30 40 GIEB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 10515021 NZKZOSNPIDJNCW-UHFFFAOYSA-N 385.670 4.083 30 40 GIEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)cc1 27989974 YVDXTRJOVWINQJ-UHFFFAOYSA-N 379.416 4.261 30 40 GIEB N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 36446951 FCMVKCFOAINPBQ-FQEVSTJZSA-N 379.510 4.267 30 40 GIEB CC(=O)n1nc(C(F)(F)F)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100036225 FYYPSLRVVSIBQX-UHFFFAOYSA-N 396.131 4.487 30 40 GIEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(O)c(C(=O)O)c2)c1C 408913433 UKTIRWDZCJHOHS-KSEXSDGBSA-N 392.411 4.255 30 40 GIEB O=C1CN(Cc2ccccc2)[C@H](c2ccc(F)cc2)N1/N=C/c1ccc(F)cc1 408974329 FDBSSDTZZWUGDJ-XHEHIBSSSA-N 391.421 4.342 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 102483948 XTRHMDDEVNOSMJ-GHNGSUTGSA-N 379.437 4.271 30 40 GIEB N#CC1(c2ccccc2)CCC(NCc2ccccc2CN2CCOCC2)CC1 23732366 DYEMSLGDCUOVEU-UHFFFAOYSA-N 389.543 4.013 30 40 GIEB C=CCn1c(SCc2nc(C(C)C)no2)nc2ccc(Cl)cc2c1=O 24988674 PZLXVOILTNHHAN-UHFFFAOYSA-N 376.869 4.035 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1F 107849715 CMEIIJCVVUKIDP-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 18222365 GKRSXUWRKQNIDF-XMSQKQJNSA-N 385.471 4.212 30 40 GIEB C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)c(C)c1 9726666 UGHUVKBSZKJWIO-UHFFFAOYSA-N 386.336 4.196 30 40 GIEB C=CCSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 225713214 HRNFSEYEYVXDPC-UHFFFAOYSA-N 396.346 4.065 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1 1080097 JKRUCNDPIOCQCG-QGZVFWFLSA-N 380.375 4.262 30 40 GIEB COc1ccc([C@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 4869632 VVHLLIDVSGDNCN-RBZQAINGSA-N 393.483 4.094 30 40 GIEB C/C(=N\OC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1nccs1 6921144 MCLXZIAWCBLLBG-DNTJNYDQSA-N 379.800 4.480 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2nc(C)cs2)c1C 9437828 UAJVTMCJAUEJMT-UHFFFAOYSA-N 381.457 4.001 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1cccc(Br)c1 12391663 QWSRDTAZIOUMCU-CQSZACIVSA-N 389.253 4.054 30 40 GIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 16974071 INYSTSIHESUIHZ-RBZFPXEDSA-N 392.846 4.053 30 40 GIEB Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1C 16974136 UYLZMJGSXPCDGE-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Cl)c1 23114546 YMEOPDBXWUQALJ-SFHVURJKSA-N 379.843 4.472 30 40 GIEB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1 32930755 DNUPAPNIWASWIB-IBGZPJMESA-N 375.516 4.182 30 40 GIEB CCCCCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 98048405 OMTXZIMNUPACRU-LJQANCHMSA-N 388.895 4.012 30 40 GIEB COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2ccc(Cl)cc2Cl)cc1 101389092 XBTVFZMCGAWCDF-LMCNZLQPSA-N 376.247 4.097 30 40 GIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)cc1 224693949 LTBCWSRFPYPIML-UHFFFAOYSA-N 384.270 4.278 30 40 GIEB N#Cc1c(NC(=O)CNC(c2ccccc2)c2ccccc2)sc2c1CCC2 57449364 XSWWRHBLFCGDGW-UHFFFAOYSA-N 387.508 4.426 30 40 GIEB CCN(CC)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 102947381 MZXPFDQPAXDHHR-LVZFUZTISA-N 385.316 4.471 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 2700580 WMMWNMIARXQLRP-UHFFFAOYSA-N 395.484 4.123 30 40 GIEB N#Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 3245889 UIMDEXUXNRQUOI-UHFFFAOYSA-N 383.618 4.314 30 40 GIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C2CCCC2)CC1 4136188 RHBXGKIFHHTJJT-UHFFFAOYSA-N 387.531 4.295 30 40 GIEB O=C1CCCC2=C1C(c1cc(Br)ccc1O)C1=C(CCCC1=O)O2 409038220 UZGSDLQPZILJCA-UHFFFAOYSA-N 389.245 4.283 30 40 GIEB COC(=O)c1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 408766035 OCBNSIIEHOIDRM-AOIWGVFYSA-N 375.384 4.080 30 40 GIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)c1 798051 FHHTXTIIJHHWGZ-HXUWFJFHSA-N 388.423 4.070 30 40 GIEB C=CCSc1nc2ccc(NCN3C(=O)c4ccccc4C3=O)cc2s1 1573725 UKTMBJVHCXBJPR-UHFFFAOYSA-N 381.482 4.240 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1ccco1 1842560 HZRJKTPMWAAOBZ-ZDLGFXPLSA-N 377.308 4.023 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(F)cc1 2347187 ROOCLUMOWNBOSE-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2)C2=C(C[C@@H](C)CC2=O)N1 5432985 RNZZVEPQMLHITI-QRQCRPRQSA-N 387.483 4.243 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c(F)c1 5832606 PKHAYJFRBFKYJR-ZZXKWVIFSA-N 381.197 4.207 30 40 GIEB C=CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 6677863 FTWLVZLRAUSHFF-SFHVURJKSA-N 396.516 4.223 30 40 GIEB CCN1C(=O)/C(=N\Nc2nc(C)nc3sc4c(c23)CCCC4)c2ccccc21 7159962 KAKFOJDOQMENNB-MOHJPFBDSA-N 391.500 4.061 30 40 GIEB COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 9134400 SPNAINCKFZASLU-UHFFFAOYSA-N 389.455 4.051 30 40 GIEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1c(Cl)cccc1Cl 13574720 YMHOJTZDYOFRRB-RGEXLXHISA-N 392.202 4.092 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccccc2F)cc1 16741311 CMMYISSXDABZJR-FQEVSTJZSA-N 393.414 4.155 30 40 GIEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)ccc1O 18197499 JUXNIMCVZILITM-NRFANRHFSA-N 393.439 4.330 30 40 GIEB CCC[C@@H](C#N)NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 58172281 NWCQYRWXCKWPAZ-FRFYRWIFSA-N 384.483 4.420 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 101231746 OHWAHQUPHQIRQW-LFVOPCPISA-N 396.874 4.014 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)n1 102875063 LBTHOBRYRBWGBU-YDJIHCHBSA-N 388.398 4.155 30 40 GIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778020 RFMITRWJJHUZDA-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1c(C)[nH]c2ccccc12 408790285 VLOUKFKQTIZPCC-FQEVSTJZSA-N 384.435 4.218 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409339190 SQEDIAVXXMGCHU-CPNJWEJPSA-N 395.505 4.109 30 40 GIEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccccc2Cl)cc1 409349134 VBCXARXITUQJHB-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB COc1cc(/C=N/c2c(C)n[nH]c2C)ccc1OCC(=O)Nc1ccc(C)cc1 101549731 MXCBUJPCMKTLGK-FSJBWODESA-N 392.459 4.112 30 40 GIEB COc1ccc(/C(C)=N\OCO/N=C(\C)c2ccc(OC)c(F)c2)cc1F 12407064 IMOYSHKCOKAHGC-SEKXJNOLSA-N 378.375 4.121 30 40 GIEB COc1ccc(CN/N=C/c2ccccc2OCc2ccccc2)cc1OC 20195669 CJYIPGDLKZRNLX-PCLIKHOPSA-N 376.456 4.407 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N=C3\NC(=O)[C@@H](Cc4ccccc4)S3)o2)cc1 17838172 NOCJOAFKKLQBQD-RXULLKCLSA-N 389.480 4.419 30 40 GIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2284640 XDDPLZMFRUTZCF-UHFFFAOYSA-N 381.439 4.086 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cc(Cl)ccc3C)S2)cc1 5531926 IDRUQLZUKZLWRW-MRXNPFEDSA-N 387.892 4.205 30 40 GIEB COc1ccc(N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 7275613 DOQXYMPPNNOHIT-CMDGGOBGSA-N 392.484 4.113 30 40 GIEB O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2ccc(F)cc21 78992855 BSTMBSILGMBUGX-GOSISDBHSA-N 376.353 4.183 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C(=O)O)cc1 409057629 LKTSVYARRAJIAG-WBCKRXDOSA-N 396.468 4.326 30 40 GIEB C#CCn1cc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)c2ccccc21 12089314 MZRUVEDYNXRAPC-IBGZPJMESA-N 385.467 4.020 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8334594 XQCVDWLXFNBOIW-OEAKJJBVSA-N 375.428 4.026 30 40 GIEB CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795028 XJKTVPFBGUAFPX-PXNSSMCTSA-N 395.455 4.160 30 40 GIEB CC(C)C1=CC(=NOS(=O)(=O)c2ccc(Cl)cc2)C=C(C(C)C)C1=O 3075833 ICSGQICNGSRKCR-UHFFFAOYSA-N 381.881 4.149 30 40 GIEB COc1cccc(NC(=S)[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 6424610 NJNGZTHIUKXWTB-OAHLLOKOSA-N 393.390 4.232 30 40 GIEB CC(C)/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 103372208 CSTSIXXWSACOAE-BZCDASSZSA-N 397.475 4.318 30 40 GIEB CCC[C@@](C)(CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1OCCO1 72306240 YZTIVIOARAIEBQ-NRFANRHFSA-N 390.528 4.196 30 40 GIEB CCN(CC)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 409034426 NUQDXBXABNHZJI-AQHIEDMUSA-N 389.315 4.255 30 40 GIEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(C(C)(C)C)cc3)C(=O)NC2=S)cc1 408764196 QMRVONAINIVMLA-ZMPUUUETSA-N 393.512 4.059 30 40 GIEB N#C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 596661954 FTKNTXGNKBWXBW-JQWIXIFHSA-N 375.778 4.485 30 40 GIEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20611616 DXYFJLIDWRVMQF-WHJAWBAWSA-N 393.439 4.112 30 40 GIEB biogenic CSc1ccc(Cl)c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 3254553 ZQOPEGTZCOQPMN-UHFFFAOYSA-N 388.876 4.166 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 16742309 QSBRXOJBHSIBDV-YBFXNURJSA-N 391.335 4.258 30 40 GIEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)c3c(F)cccc3F)nc2c1 19569323 UOZUDHUPJDQBOM-UHFFFAOYSA-N 394.425 4.234 30 40 GIEB COc1ccc(CN/N=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC 20196434 ZAHPNRZBDVCFCB-FSJBWODESA-N 392.883 4.277 30 40 GIEB C=CCn1c(S)nnc1-c1sc(NC(=O)CCC2CCCC2)nc1C 22890391 ILDCUHJRCDXBRZ-UHFFFAOYSA-N 377.539 4.094 30 40 GIEB O=C(/C=C\N1CCCN(Cc2ccc(Cl)cc2Cl)CC1)C(F)(F)F 33376420 SFQZDDIGGMFERI-DAXSKMNVSA-N 381.225 4.146 30 40 GIEB C=CCn1c(SCCn2cc(-c3ccccc3)cn2)nnc1-c1ccco1 79024301 NZELDGFMZYIDFX-UHFFFAOYSA-N 377.473 4.380 30 40 GIEB COc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 100041983 CNMHDPPHCIQDRB-UHFFFAOYSA-N 396.205 4.305 30 40 GIEB C#Cc1cccc(N(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C(C)C)c1 102909113 UZYVQCZOHSDSGQ-UHFFFAOYSA-N 378.863 4.266 30 40 GIEB C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1cccc(C#N)c1 610361147 RWCRXLOYSOYKHR-GFCCVEGCSA-N 395.260 4.202 30 40 GIEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 16741703 MHJBXFRQFFOZPT-GOSISDBHSA-N 385.847 4.385 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)no1 102803423 INIXGNKOJMPMQS-WOOAAIBNSA-N 392.411 4.326 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c(C)c1 59248865 OMDJUFASEOTYCT-RGVLZGJSSA-N 391.265 4.488 30 40 GIEB COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccccc2)cc1 14359824 BIWCWTARNXQAKC-UHFFFAOYSA-O 381.452 4.173 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1F 4919774 AOJZKMAORMLFPH-JTSKRJEESA-N 398.430 4.162 30 40 GIEB C#CCN(C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1)C1CCCCC1 72288039 STZLQQDFNUZHIH-GOSISDBHSA-N 382.426 4.370 30 40 GIEB N#Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 84603607 YNUGCNBZJWTZOB-ZDUSSCGKSA-N 380.448 4.162 30 40 GIEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 225839379 RMQYWIVSOXSLLO-KRWDZBQOSA-N 397.544 4.136 30 40 GIEB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 66091512 CKBGVLVRFCNJEM-QFIPXVFZSA-N 388.467 4.302 30 40 GIEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1cccs1 15011808 JKCUODNNMJQNET-ZVHZXABRSA-N 379.493 4.113 30 40 GIEB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 16683225 RIROAGPJSYUERJ-MRXNPFEDSA-N 376.485 4.480 30 40 GIEB C=CCSc1ccccc1NC(=O)N(C)CC(=O)N(C)C1CCCCC1 40120202 YSIPIGVVACSQFH-UHFFFAOYSA-N 375.538 4.220 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1 1080098 JKRUCNDPIOCQCG-KRWDZBQOSA-N 380.375 4.262 30 40 GIEB CCN(CC)CCCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 2299411 GNCSCOWPECXWFG-UHFFFAOYSA-N 382.508 4.208 30 40 GIEB CCOC(=O)C1=C(C)CC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 3071018 IFLUBQFQUBDKID-OAQYLSRUSA-N 382.456 4.468 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(CC(C)(C)CC1=O)N2 4436348 PIHUAROAMLWZBA-KRWDZBQOSA-N 384.505 4.057 30 40 GIEB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 5868856 LXTAWSHQLVFYPU-INIZCTEOSA-N 385.489 4.128 30 40 GIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1C 6846156 XVBBQFYXDYILIY-LLVKDONJSA-N 383.542 4.488 30 40 GIEB COc1ccc(-c2csc(NC(=O)COc3ccccc3C#N)n2)cc1Cl 8393440 VSKPWRCVDJLGIQ-UHFFFAOYSA-N 399.859 4.361 30 40 GIEB Cc1ccc([C@@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 101262425 DFYLVMZMPXGPII-CQSZACIVSA-N 391.473 4.316 30 40 GIEB CC(C)Oc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1 409057403 PKZBTIAAWBQWOK-WBCKRXDOSA-N 396.468 4.406 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3ncc(C)s3)c(C#N)cc2c1 907355 BEUQIUYBSFLUJY-UHFFFAOYSA-N 384.486 4.001 30 40 GIEB COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC 669018 VBOMDMQMASCHTI-UHFFFAOYSA-N 384.501 4.477 30 40 GIEB COc1ccc(/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)cc1 716045 XZUAAUCUVFNFCN-MFKUBSTISA-N 399.450 4.175 30 40 GIEB Cc1cc(C)c2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2c1 2331906 JTSQEXOOKGHQRL-UHFFFAOYSA-N 378.453 4.474 30 40 GIEB CO/N=C/c1c(-c2ccccc2)nn(C)c1Sc1ccccc1C(=O)OC 4042042 KZDMISARAQUVKK-FYJGNVAPSA-N 381.457 4.005 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(F)c1 4736333 BVWQHURVISYDKV-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB CC[C@H](C)Oc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409204 UKTIQBRUOPVVDZ-SQDWVDAYSA-N 388.467 4.158 30 40 GIEB Cc1cc(OC(F)F)ccc1/N=C1\SCC(=O)N1CCc1ccccc1 33384696 BQSQBDCOJVWFQQ-QOCHGBHMSA-N 376.428 4.402 30 40 GIEB CCOc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5323816 QWERSAGBOIHMAR-JTSKRJEESA-N 386.455 4.093 30 40 GIEB Cc1cc(C(F)(F)F)n(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 100210291 CILNRJYVLUSSFF-UHFFFAOYSA-N 396.131 4.319 30 40 GIEB O=[N+]([O-])c1ccc(OCCOc2ccc(/C(=N\O)c3ccccc3)cc2)cc1 28293966 MPMHHNIIGVZOOB-DQRAZIAOSA-N 378.384 4.279 30 40 GIEB O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)OCc1ccccc1 9420834 CWEMNFRONRJETA-NDENLUEZSA-N 392.432 4.487 30 40 GIEB C=CCOc1cccc(-c2nn3c(COc4ccc(OC)cc4)nnc3s2)c1 10312303 QWLWWKVDRTUKFC-UHFFFAOYSA-N 394.456 4.005 30 40 GIEB N#Cc1c(NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)sc2c1CCC2 20606109 JBGDHEXBOIBWGC-UHFFFAOYSA-N 398.875 4.247 30 40 GIEB COc1ccc(-c2cn3c([nH]c(=O)c4cc(Br)ccc43)c2C#N)cc1 1609253 JSENZMFXUPUOHS-UHFFFAOYSA-N 394.228 4.091 30 40 GIEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCOCC1 4608526 YBKMROOTRXRBHC-RGVLZGJSSA-N 395.684 4.395 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc(C)c2)CC1=O 4910443 SULQRAAXYJWBEB-IBGZPJMESA-N 389.499 4.316 30 40 GIEB COc1c(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-] 5558283 AJZSDZUZDNNHMY-NTEUORMPSA-N 389.820 4.148 30 40 GIEB COc1cc(/C=C/C(=O)c2sc(-c3ccc(O)cc3)nc2C)cc(OC)c1O 7333557 BMWOIQUCMGJRSC-RUDMXATFSA-N 397.452 4.443 30 40 GIEB CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)ccc1O 17751395 XNDNYNFBQSALAZ-HXUWFJFHSA-N 395.455 4.025 30 40 GIEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1OCCN1Cc1ccccc1 20800796 ABGSGLQPCRJXTA-UHFFFAOYSA-N 381.859 4.100 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Oc2ccccc2)c1 28290234 WBVNVRQCGHUXHU-IBGZPJMESA-N 380.469 4.001 30 40 GIEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 28629527 BAOKZHJPPNVFEF-IBGZPJMESA-N 388.398 4.312 30 40 GIEB CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828699 UVOAEKQOYPVFRK-GOSISDBHSA-N 398.463 4.019 30 40 GIEB Cc1cc(N/N=C\c2ccc(Br)cc2)nc(-c2ccccc2O)n1 36651849 URKJIAHPNNBRCJ-JAIQZWGSSA-N 383.249 4.366 30 40 GIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1coc3ccc(Cl)cc3c1=O)C2 95476099 CDQIHYUNVIAQPX-SDQBBNPISA-N 382.799 4.286 30 40 GIEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccnc1Cl 103968352 KLBKAMVXWNPHIJ-HKOYGPOVSA-N 383.238 4.186 30 40 GIEB CCOc1ccccc1/C=N/N=c1nc(O)c2ccccc2n1-c1ccccc1 408732175 OWFSOZUFFRDZQS-LFVJCYFKSA-N 384.439 4.065 30 40 GIEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(C)c(C)c3)o2)cc1 408780316 XGGCGOCTDCIRDV-LPYMAVHISA-N 382.485 4.434 30 40 GIEB CC(C)(C)c1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(C(C)(C)C)c1O 409403662 AKSLJXNOOBUSAL-STEAMIEHSA-N 394.515 4.128 30 40 GIEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 1267150 OACBYFKONPKCQU-OAHLLOKOSA-N 376.382 4.263 30 40 GIEB CSc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)nn1-c1ccccc1 1986979 INJGUUBTWLIQNF-UHFFFAOYSA-N 398.875 4.137 30 40 GIEB C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccncc1 2625757 WCDGKPKTMHHVIL-UHFFFAOYSA-N 394.500 4.420 30 40 GIEB CN/C(S)=N\N=C\c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 4749625 UJLGDMNUEYVPJI-ZVBGSRNCSA-N 398.315 4.420 30 40 GIEB CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2C(=O)C(O)=C(C(C)C)C(=O)[C@H]12 4879289 GZGFNUROSGAIJU-KYSYBXFISA-N 376.493 4.007 30 40 GIEB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc1Cc1ccccc1 5312490 IYUZDFQAMOUGJV-OAHLLOKOSA-N 376.485 4.300 30 40 GIEB O=[N+]([O-])c1ccc2c(c1)/C(=N/Nc1nc(Cl)c(Cl)cc1Cl)C(O)=N2 6597987 HRDLDPBDHDBUQP-UHFFFAOYSA-N 386.582 4.368 30 40 GIEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)c1 6762290 JLOPKUFMDMCQBT-LJQANCHMSA-N 387.439 4.151 30 40 GIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1c2ccccc2-c2ccccc21 7674057 HWTHKDDTKDXOBY-UHFFFAOYSA-N 384.435 4.109 30 40 GIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc(OC)c1O 12345163 UAIINZYYAZSDAP-SVGJNIJCSA-N 397.490 4.283 30 40 GIEB CCn1ncc2c(C(=O)Nc3ccc(CC#N)cc3)cc(-c3ccccc3)nc21 14527582 FFFYJJPXHDMXNC-UHFFFAOYSA-N 381.439 4.437 30 40 GIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(Cl)cc1)OCO3 35289046 DUXMMWWVEYLCKM-UHFFFAOYSA-N 382.828 4.464 30 40 GIEB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 89921997 SQIUJGBXYIOUMR-BLLLJJGKSA-N 379.485 4.345 30 40 GIEB COc1ccc(-c2cc(SCC(=O)c3ccccc3)nc(O)c2C#N)cc1 2503874 QKGVOCFMQLVEEV-UHFFFAOYSA-N 376.437 4.309 30 40 GIEB Cc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)cc2c1 4848906 HFQZSTJODAJEMW-UHFFFAOYSA-N 376.437 4.161 30 40 GIEB N#Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2653215 TWCOOWODMYWDKA-UHFFFAOYSA-N 380.498 4.173 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2sccc2c1=O 32946313 HMADIORDGONQAZ-LBPRGKRZSA-N 386.498 4.016 30 40 GIEB O=C(NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1 3138647 OKFVJCOOWZYKMJ-UHFFFAOYSA-N 380.263 4.489 30 40 GIEB CN1/C(=C\C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)C(C)(C)c2ccccc21 12565870 WODMGVOQYAYICN-ULJHMMPZSA-N 397.498 4.086 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccnc1 2394302 PVVGUWABVKVMOV-UHFFFAOYSA-N 399.907 4.219 30 40 GIEB CC(C)Oc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409057357 KYNMNEYOSQAYKG-WBCKRXDOSA-N 396.468 4.406 30 40 GIEB CCc1oc2ccccc2c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2 9577794 VOWPPYUDCSGBJP-UHFFFAOYSA-N 393.512 4.488 30 40 GIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(=O)OC)cc3)c12 89534491 GZEQCYOXPWXLIK-SDNWHVSQSA-N 399.450 4.466 30 40 GIEB CCCCCCCc1nnc(SCC(=O)N2CCc3ccccc32)n1CC 408560998 TZWUYKDEOMVOBA-UHFFFAOYSA-N 386.565 4.492 30 40 GIEB C=CCc1ccccc1OCCSc1nc2ccccc2n1CC(=O)OC 15833341 MNGJFCYYNUADNI-UHFFFAOYSA-N 382.485 4.109 30 40 GIEB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 169938573 KLULUAMPCWOOMD-NRFANRHFSA-N 396.512 4.046 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(C(=O)OC)=C1C 14009524 AHZNXGHBKQZCRI-MOSHPQCFSA-N 394.446 4.092 30 40 GIEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)C1 20517469 OGQMNGYDIPOYFQ-LPKQHDGYSA-N 394.427 4.149 30 40 GIEB C=CCn1c(SCc2ccc(C(=O)O)cc2)nc2sc(C)c(C)c2c1=O 2265797 RKIWJONQRRWISW-UHFFFAOYSA-N 386.498 4.251 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 2362409 MPWWYKIJELSXPI-MQBMHJJESA-N 399.491 4.469 30 40 GIEB CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](O/N=C(/C#N)c2ccccc2)C1(C)C 3172679 NDPQOINCKONLJE-ZVTCDHROSA-N 382.851 4.261 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(C[C@@H](C)CC2=O)N1 4386896 NVJWXTVQUNWOPT-JLCFBVMHSA-N 387.483 4.243 30 40 GIEB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc(C)c1C#N 27789298 NAGVJFYXQVQFIT-UHFFFAOYSA-N 390.468 4.063 30 40 GIEB CCn1cc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c2cc(OC)ccc21 28182637 CQKMWLXTZSCKPC-AFPJDJCSSA-N 391.423 4.254 30 40 GIEB C=CCn1c(C)cc(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C 32910480 OMKIDUIXYXSXJY-UHFFFAOYSA-N 381.428 4.394 30 40 GIEB Cc1nn2c(/C=N/N=c3/[nH]c4ccccc4s3)c(-c3ccccc3)nc2s1 41074075 VIVBNBPMAOIXMD-RGVLZGJSSA-N 390.497 4.244 30 40 GIEB COc1ccccc1-c1n[nH]c(/N=C(\O)CCn2ccc3c(OC)cccc32)n1 95472111 AQFYFYMZSVFHHR-UHFFFAOYSA-N 391.431 4.122 30 40 GIEB CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 104129438 WVESIWLBBBFMOV-AWEZNQCLSA-N 391.814 4.072 30 40 GIEB CC1(C)c2cc(O)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801220 FTLQDYMGJVZZLI-UHFFFAOYSA-N 381.229 4.378 30 40 GIEB CCc1ccc2c(c1)/C(=N/Nc1nc3ccccc3s1)C(=O)N2C1CSC1 223726274 MGGHTRKUGAXFMA-PYCFMQQDSA-N 394.525 4.137 30 40 GIEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccc(Cl)cc2)cc1 4889208 BGRCECIZYYXUSQ-GOLOZUJYSA-N 387.892 4.203 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1 4919689 QNPUHMAHUKIAGP-PGRDOPGGSA-N 380.440 4.023 30 40 GIEB COc1ccc(-c2c3c(nc4c2C(N)=C(C(=O)c2ccccc2)C4)CCC3)cc1 6589242 POFQMYZWUALUDS-UHFFFAOYSA-N 382.463 4.355 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)cc1 729431 OFMKWEQNGGUDMK-XWRIVVANSA-N 376.456 4.226 30 40 GIEB CCCCCCCCCCCC1=C(O)/C(=N\CCO)C=C(O)/C1=N/CCO 100393423 MUUSYXIDDQGINR-ZOQFAHOPSA-N 380.529 4.042 30 40 GIEB biogenic,in-vitro C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OC 59135043 JVZTWUZYYXXYNZ-SFQUDFHCSA-N 380.375 4.070 30 40 GIEB N#Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 24924084 FGUPZWGUNNGKSH-INIZCTEOSA-N 383.498 4.084 30 40 GIEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2373601 SSRUDYZBDPEOFM-QGZVFWFLSA-N 380.492 4.351 30 40 GIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3884870 ZPEKJFYBCQQDAK-UHFFFAOYSA-N 386.256 4.073 30 40 GIEB COc1cccc(/C=N/c2ccc(O)cc2)c1OCc1ccc(C(=O)O)cc1 409188465 ZKOQPWQCRGFYGJ-YDZHTSKRSA-N 377.396 4.429 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1[N+](=O)[O-] 4714110 JOPKRIZOFYELKG-FLFQWRMESA-N 399.410 4.122 30 40 GIEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCOc1ccccc1Cl 46084932 IDGXPKUFWCSGJC-ZHZULCJRSA-N 385.634 4.251 30 40 GIEB CCCCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 97949600 LYUSDCRDKFOUMN-UHFFFAOYSA-N 380.558 4.066 30 40 GIEB O=C1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC/C1=C\c1ccc([N+](=O)[O-])cc1 17380120 OMQUVUPABDCOHI-UNZYHPAISA-N 392.367 4.292 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC)C1 19498621 MMVHAHADICSDMZ-QHCPKHFHSA-N 396.556 4.279 30 40 GIEB O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 104197977 SNEHGHGYMDUGQA-IBOXJLQUSA-N 398.390 4.048 30 40 GIEB COc1ccc(/C=C/c2nc(C#N)c(N(C)Cc3ccccc3)o2)cc1OC 8374923 FGWNZFQGCMVLGR-ZRDIBKRKSA-N 375.428 4.370 30 40 GIEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 20637399 HNRNCVBODQUYOF-UGKGYDQZSA-N 394.434 4.297 30 40 GIEB CCn1c(N/N=C/c2ccccc2I)nc2ccccc21 408692514 OEYYMZJBKHVDBK-WOJGMQOQSA-N 390.228 4.107 30 40 GIEB CCOc1cccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)c1O 4664292 VHOGRTWWISCZPS-WIQPNEMMSA-N 384.457 4.033 30 40 GIEB C#Cc1cccc(NC(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)c1 67545274 KDNGTAMMHYSQDY-UHFFFAOYSA-N 398.890 4.200 30 40 GIEB N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1cccs1 19889280 OLWFNGOYTYPSKU-UHFFFAOYSA-N 376.466 4.111 30 40 GIEB C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 72314318 PMAHICZDJYSEHR-UHFFFAOYSA-N 379.504 4.380 30 40 GIEB CN1/C(=C\C(=O)COC(=O)/C=C/c2ccc(F)cc2)C(C)(C)c2ccccc21 32896032 TVKAZVWUPKDJCZ-IXDZKQDKSA-N 379.431 4.263 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1cccc(Cl)c1)C(C#N)C#N 5482664 DQYAHWDMAZWMIY-WOJBJXKFSA-N 376.847 4.121 30 40 GIEB CCOc1cccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)c1O 6788383 KOKQVZYNAVFRIW-ZVBGSRNCSA-N 397.481 4.173 30 40 GIEB O=C(/C=N/OC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1Br 716726 AYQZAOJFMXYLAZ-GIJQJNRQSA-N 396.628 4.276 30 40 GIEB COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2cccc3ccccc23)cc1 2335683 CAHNRZHBIMBGMS-BXBPIDJQSA-N 389.480 4.314 30 40 GIEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NC(=O)NC1CCCCC1 6409169 DPSSRSOWZWQRMY-INIZCTEOSA-N 391.471 4.151 30 40 GIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1c2ccccc2C[C@H]1C 12524430 PQSLDUVJGQIIGT-NZZMRGDMSA-N 391.393 4.445 30 40 GIEB CC/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1cccnc1 12660975 FSBDIIXOKUQNAV-ZUPVXLMDSA-N 387.306 4.177 30 40 GIEB C=CCn1c(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21 19016163 GRSDZNIVZOJOCH-UHFFFAOYSA-N 396.441 4.356 30 40 GIEB C/C(=N/Nc1nc(-c2sccc2Cl)cs1)c1c(O)cc(C)oc1=O 100333136 ABJDKUOQXCCWKB-LSCVHKIXSA-N 381.866 4.328 30 40 GIEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)[C@H]1C=C[C@H]2C12CC2 107916454 NAGHZRPAHWQZSM-QKMOMTBNSA-N 392.842 4.131 30 40 GIEB COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)ccc1OCc1ccccc1 408981222 VJIMPBFYFCQABV-UHFFFAOYSA-N 385.467 4.499 30 40 GIEB Cc1ccc2c(c1)/C(=N/OC(=O)CC(C)C)C(=O)N2Cc1ccc(Cl)cc1 1397228 XJLKNTJYSAUMSD-ATJXCDBQSA-N 384.863 4.489 30 40 GIEB CCN/C(=N\c1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 6754764 WMGUSHNSEOUPDV-INIZCTEOSA-N 387.892 4.002 30 40 GIEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OC(=O)C3CC3)ccc21 9484442 SJAVBBQVAVOFLD-WSVATBPTSA-N 398.798 4.138 30 40 GIEB O=C(C[C@H]1S/C(=N\C2CCCCC2)NC1=O)Nc1ccc2ccccc2c1 12995493 IPNWIICKAIDZGD-GOSISDBHSA-N 381.501 4.089 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CS)[C@@H]2c1ccco1 13637134 JKWCPHQNFLFRJN-HXUWFJFHSA-N 382.485 4.352 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1cccs1 16684105 NBEZILFAOYZIGB-KQHGIQCESA-N 399.541 4.209 30 40 GIEB Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)oc2c(Cl)cccc12 17842945 MSDAIQPJHKCNCK-UHFFFAOYSA-N 393.874 4.224 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(OC)c3)nc2c1 35311896 WCLUZLNGTMDTLM-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB Cc1ccc(C(=O)O)cc1/N=C/c1cc(Br)c(N2CCCC2)o1 59301922 VLIDQGZNUWLMJS-VXLYETTFSA-N 377.238 4.400 30 40 GIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 101662318 JZHZIRQVLSSDCK-FQEVSTJZSA-N 393.915 4.258 30 40 GIEB CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2)Sc2ccccc2N1 102955465 IDKWPRGMTUJTHN-UHFFFAOYSA-N 380.469 4.220 30 40 GIEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958621 XIEXEMFXMSBWEE-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB CCOc1ccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)cc1 408733070 VPKNFRKITRXSJF-LFVJCYFKSA-N 384.439 4.065 30 40 GIEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1 409187004 KSIPSGZWFDMCLP-SSDVNMTOSA-N 389.835 4.208 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(N2CCCC2)o1 1531385263 BTDUMDSMTNJZGO-LFVJCYFKSA-N 384.439 4.139 30 40 GIEB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)CC#N)c2=S)cc1 60296212 DRVZLCQSPFIBEJ-UHFFFAOYSA-N 383.908 4.445 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 9110603 PNNBSHXFCCIYCJ-FQEVSTJZSA-N 379.456 4.382 30 40 GIEB C[C@H]1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385966 BKWVTRYXVJLGKQ-INIZCTEOSA-N 399.425 4.279 30 40 GIEB CCCc1noc(CCC(=O)N2CCS/C2=N\c2cccc(Cl)c2C)n1 72245355 YJUDAWLLPSBYSM-ZZEZOPTASA-N 392.912 4.180 30 40 GIEB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC1(C#N)CCCC1 89537038 YNIXCEQOCRMUPA-UHFFFAOYSA-N 384.277 4.386 30 40 GIEB CCSc1nnc(/N=C(\O)NC(CC)(C(F)(F)F)C(F)(F)F)s1 2293136 XKAHKUXGIWVCPM-UHFFFAOYSA-N 382.355 4.059 30 40 GIEB biogenic CCc1nnc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)s1 35288891 QFGOSAHURRAULP-UHFFFAOYSA-N 397.529 4.375 30 40 GIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 223952211 DSCIYQDXBAGIIY-LBPRGKRZSA-N 375.519 4.101 30 40 GIEB CCCO/C(=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC 12411193 VDBCXPSFYOEONE-UCUGKLSDSA-N 390.530 4.276 30 40 GIEB CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@H]2C1(C#N)C#N 804019 GBJWABJKOOVKKW-YTFSRNRJSA-N 383.451 4.076 30 40 GIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O 101662394 MHIWZRXIAZCFPK-QHCPKHFHSA-N 395.503 4.449 30 40 GIEB Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2)c1 44858721 PZWUTKZEFGYODI-JOCHJYFZSA-N 398.466 4.466 30 40 GIEB C=CCN(C(=O)CSC(=S)OCC)c1nc(-c2ccccc2)cs1 3304638 ULUSMNQLQZGESE-UHFFFAOYSA-N 378.544 4.384 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12764658 YYRYBOFRXWVOKH-IZLCOFNUSA-N 390.483 4.142 30 40 GIEB COc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C 4107768 GXHZSPQYIVXLQT-FRKBGCJLSA-N 383.498 4.299 30 40 GIEB O=C(c1cccc2c1-c1ccccc1/C2=N\Nc1ccccc1)N1CCOCC1 4545600 ANOFAEALYXQUFR-WNAAXNPUSA-N 383.451 4.004 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)cc1 4687980 UANUZLHQSFRTDG-UYRXBGFRSA-N 397.475 4.326 30 40 GIEB N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccccc1Br 4860287 GMTZKZDLLBOLCZ-UHFFFAOYSA-N 383.245 4.274 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1ccccc1F 7016118 GBYNXCORBYRQFL-WSDLNYQXSA-N 392.463 4.058 30 40 GIEB C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](CCCC)C(=O)O 27532642 VJBMWYRXLKWMJM-OAHLLOKOSA-N 395.912 4.432 30 40 GIEB COc1cccc(/C=N\c2ccc(C)cc2Br)c1O[C@H](C)C(=O)O 409235125 ALZHJWJZPHCSBG-SVKBEJCWSA-N 392.249 4.369 30 40 GIEB C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219679495 RJYDQJAQLASXOV-CYBMUJFWSA-N 376.250 4.420 30 40 GIEB Cc1cccc(C)c1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 35288680 NUYSELZGFDGGEM-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB N#Cc1cccnc1OC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 96102876 DUDLNISXPNIXBL-UHFFFAOYSA-N 391.258 4.335 30 40 GIEB N#Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 31773904 UPGOGMBTEJSJAE-UHFFFAOYSA-N 378.844 4.126 30 40 GIEB Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(Cl)cc1 3272846 AZNIDWOASBWCRH-CAOOACKPSA-N 384.686 4.129 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O 4888938 KVHDHLDKXPQPLZ-AVBHYHMMSA-N 387.530 4.391 30 40 GIEB Fc1ccc(N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 4918509 FVHIAHJNCPJSRH-HYARGMPZSA-N 382.464 4.232 30 40 GIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 6005292 JIKMAMDNEXYUNM-BLLLJJGKSA-N 381.501 4.225 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)no1 6412931 CBEDLAYJQPOKGN-SFHVURJKSA-N 396.349 4.044 30 40 GIEB O=C(CO/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1F 6553110 JWDPMYAWRXDGPZ-AERZKKPOSA-N 377.149 4.400 30 40 GIEB CCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(CC)cc2)S1 6593528 FNTQFQUHTADVHO-KMUCBOENSA-N 395.528 4.202 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1CC12CC3CC(CC(C3)C1)C2 6886145 PCKJWZAYMCFNAL-UHFFFAOYSA-N 379.529 4.025 30 40 GIEB CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OC)c1 8438732 RMHKWGSOJCGNQY-IBGZPJMESA-N 375.465 4.046 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1 11865134 YWHGWLVJNDHIIG-JCMHNJIXSA-N 379.456 4.176 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\Cc2ccccc2)[C@H](O)Cc2ccccc2)cc1 13402491 QOKBYRYSSUNEBZ-HSBRJCCXSA-N 375.428 4.209 30 40 GIEB Cc1cccc(C[C@@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)c1 13477834 KKGUJSQIPFKPKN-HNNXBMFYSA-N 375.291 4.219 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccccc2)c(C)c1 16741366 BBTLIAHZBOGMFG-OAQYLSRUSA-N 389.451 4.324 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 19229257 RHKMCVYSTAFDEO-FQEVSTJZSA-N 382.504 4.419 30 40 GIEB C=CCNCc1cc(Br)ccc1OCC(=O)Nc1ccccc1C 36612692 MMEZPYGPKDRSOP-UHFFFAOYSA-N 389.293 4.051 30 40 GIEB CCOCCC/N=C1/SC[C@@H](CC)N1C(=O)c1ccccc1Br 103460024 ZZMZMEVUHNVXQG-RDCVWBNRSA-N 399.354 4.199 30 40 GIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1 104100387 SASSUNQEHMOPAV-JBCNATCCSA-N 385.419 4.322 30 40 GIEB N=C(N/N=C\c1cccc2ccccc12)C(=N)N/N=C\c1cccc2ccccc12 104368996 DQULFKGZAMVBRC-USYBVIFISA-N 392.466 4.495 30 40 GIEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 223742182 NQTJKUFGOOUQLJ-UHFFFAOYSA-N 389.517 4.204 30 40 GIEB CC(C)COc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 408600522 CKQCGDSHUZSPQO-FOKLQQMPSA-N 381.501 4.254 30 40 GIEB O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1ccco1 1092584 UOWRHMPUYZZDME-XQNSMLJCSA-N 376.412 4.086 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 2069333 OJYNYUADRROHAL-SFHVURJKSA-N 391.389 4.403 30 40 GIEB C=CCNC(=S)NCc1c(Cl)cccc1O[C@H]1CCOc2ccccc21 4110254 LCVMPBZNBXOELC-IBGZPJMESA-N 388.920 4.393 30 40 GIEB N#Cc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 5687585 DGVNFCVWEDMYFX-UHFFFAOYSA-N 398.182 4.390 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 5902554 RORSIQUYBILFCE-LBPRGKRZSA-N 386.546 4.292 30 40 GIEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 7605293 VZHYKZMNMOYWEG-NSHDSACASA-N 390.534 4.193 30 40 GIEB N#CCCn1cc(/C=N/Nc2ccccn2)c(-c2ccccc2Br)n1 7977568 UJCPNMMUBLCJAF-WSDLNYQXSA-N 395.264 4.067 30 40 GIEB C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 9668568 TWDUEYRTKNHHMQ-ZDUSSCGKSA-N 394.272 4.253 30 40 GIEB COc1ccc(SCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10219183 KBLYBFQZPNLQSX-UHFFFAOYSA-N 381.482 4.421 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1 12821355 BHOCAQKEQYYRGH-GOSISDBHSA-N 399.446 4.279 30 40 GIEB N#Cc1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 12974873 YHZBKKYRILPZDX-IIBYNOLFSA-N 396.537 4.069 30 40 GIEB N#Cc1c(/N=C/c2ccc(SCCO)c([N+](=O)[O-])c2)sc2c1CCCC2 32124703 ZQLFXGKCWWHQAU-RGVLZGJSSA-N 387.486 4.242 30 40 GIEB CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@H](c2ccccc2)CC1=O 100168935 CJDGLWPNEMSQJC-KRWDZBQOSA-N 387.483 4.075 30 40 GIEB Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)cc1 102341420 QGYCFTTWTKCJOW-SAKMYQHLSA-N 392.480 4.365 30 40 GIEB COCC/N=c1/scc(-c2ccc(Cl)s2)n1/N=C/c1ccccc1O 103460221 AXCAZZNIBMGHMY-DTTLINJISA-N 393.921 4.066 30 40 GIEB O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 104259291 ODXUDQOXIGERFQ-QOCHGBHMSA-N 390.355 4.202 30 40 GIEB Cc1cccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1O 1260393 LEMKIPKXZCLFDV-SSDVNMTOSA-N 386.517 4.456 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 4425828 GCWCQIAPACJFJD-BUVRLJJBSA-N 389.455 4.467 30 40 GIEB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 4696370 UEWTZZWGWCVSDZ-LZYBPNLTSA-N 399.566 4.395 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccccc2)cc1 5345798 PEPJAXGFCKJEHB-VGOFRKELSA-N 386.455 4.011 30 40 GIEB C=CCn1c(=S)sc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21 6589156 SBPUJSRQTHQGEE-UHFFFAOYSA-N 383.420 4.242 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12938626 RYECYLFLIUTCKA-VLIAUNLRSA-N 380.444 4.432 30 40 GIEB C=CCN1C(=O)/C(=C/Nc2ccc(Cl)cc2Cl)C(=O)N(CCCC)C1=O 17118160 MTNJDMYVOKTMIJ-QBFSEMIESA-N 396.274 4.066 30 40 GIEB C[C@@H](c1ccccc1)N(C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 23819906 KZGBCPKQQDVPOO-HNNXBMFYSA-N 392.528 4.053 30 40 GIEB N#Cc1ccc(-c2ccc(OCCS(=O)(=O)Oc3ccccc3)cc2)cc1 24761048 XJRGZBHXTPPMTM-UHFFFAOYSA-N 379.437 4.013 30 40 GIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCC(C)C)cc1 32828788 LNMOVYWFXXMOEA-LJQANCHMSA-N 394.500 4.045 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1cccs1)C3=O)CN(Cc1cccnc1)CO2 57160273 IDQWNWSTJOJFGR-DJKKODMXSA-N 390.464 4.420 30 40 GIEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917845 NLUGGDMYWGAERB-SGBQZVHISA-N 386.532 4.225 30 40 GIEB C#CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 169586227 QMZQZNSKMGNABA-KRWDZBQOSA-N 399.244 4.351 30 40 GIEB C=CCSc1nnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)s1 225436944 GJQKHYKRIBZSMM-UHFFFAOYSA-N 396.346 4.065 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 225777611 NZCIUYYBMWTXPB-UHFFFAOYSA-N 384.863 4.297 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 409070689 OMPRWZFUUYMYHO-XDHOZWIPSA-N 376.437 4.360 30 40 GIEB C[C@H]1CC(=O)N(C)c2ccc(N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc21 600617698 NHSSSEFDZRJRCJ-QWHCGFSZSA-N 396.878 4.121 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1nc(-c3ccncc3)nc1N2 4279857 YOWMHJJVEKJJKY-GOSISDBHSA-N 377.835 4.016 30 40 GIEB O=C1N/C(=N/N=C/c2cccs2)S[C@H]1Cc1c(Cl)cccc1Cl 6057399 JMIHCBBUTQUMPD-VFJJTOLMSA-N 384.313 4.219 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OC)c1 6743261 SSDUSCTVZACFPK-QFIPXVFZSA-N 389.455 4.139 30 40 GIEB COc1ccccc1/N=C1\NN=C(c2cc(C)n(C[C@@H]3CCCO3)c2C)CS1 7849586 BYQZGOAVEZVBMT-INIZCTEOSA-N 398.532 4.021 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 8022402 LRHYGAAQXDFBHT-HXUWFJFHSA-N 397.446 4.219 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@H]2C)n(Cc2ccco2)c1C 8779703 PTIIJFMDXNJVAT-OAHLLOKOSA-N 388.471 4.008 30 40 GIEB C[C@@H]1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)c3ccccc32)C[C@@H](C)O1 19830950 HQIRBLVXPSNJDK-VPJVZZLXSA-N 399.494 4.374 30 40 GIEB CCCCCCCn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21 100504417 KXXDIBQOYIDGIL-UHFFFAOYSA-N 379.460 4.325 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccco2)sc1C 102798782 KQWHWYNCKWVMKR-IBOXJLQUSA-N 398.415 4.118 30 40 GIEB CC[C@H](C)Oc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409356622 GPASEQFKKVOUCH-HNNXBMFYSA-N 387.439 4.315 30 40 GIEB CCc1c(C)sc(NC(NC(=O)OC)(C(F)(F)F)C(F)(F)F)c1C#N 1066831 REFSGRBTEFNXNC-UHFFFAOYSA-N 389.321 4.079 30 40 GIEB N#Cc1cc(Oc2ccccc2C(=O)Oc2ccccc2)c([N+](=O)[O-])cc1C#N 1313261 NDNCKKYDQRRLOX-UHFFFAOYSA-N 385.335 4.350 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2463606 LCKPPQBKXZFYIO-KBXCAEBGSA-N 384.501 4.188 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)n1nc(-c3cccc(Cl)c3)nc1N2 4279853 BJFVUHCICJZWFF-LJQANCHMSA-N 392.846 4.326 30 40 GIEB N#C[C@H](c1ccccc1)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1Cl 7641879 YRPHHKVQBRWNJP-SJLPKXTDSA-N 385.920 4.461 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1C 8429237 LULLJDQVFQGSSK-UHFFFAOYSA-N 380.517 4.370 30 40 GIEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc(Cl)cc1 17027399 OMAZUWGSZORZAD-UHFFFAOYSA-O 387.290 4.334 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(F)cc(F)c1 20633286 CKGVCGYHZRASPA-IBGZPJMESA-N 381.382 4.333 30 40 GIEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22457111 WLDZQMGFZFFYMS-KSEOMHKRSA-N 390.637 4.334 30 40 GIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33691962 LPJOLERECOIRFR-UFFVCSGVSA-N 382.316 4.390 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)o1 102742533 PBXWRXPBEWNEAI-HVESIFNPSA-N 394.452 4.288 30 40 GIEB C=CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2292873 GJKCDMKWUZZISP-LLVKDONJSA-N 388.562 4.072 30 40 GIEB CCOC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3145713 DDIAVURDAIONGV-UHFFFAOYSA-N 382.663 4.458 30 40 GIEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 4548727 ZPCNIQYOILKRAP-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB COC(=O)c1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C#N)c1C 5015894 NPYRTZRLNKXJES-UHFFFAOYSA-N 392.864 4.164 30 40 GIEB N#Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 5868149 RMXIPOAKPLTYJV-KRWDZBQOSA-N 393.493 4.438 30 40 GIEB CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 6540724 BITHGRXJVJYWFB-GFCCVEGCSA-N 389.249 4.125 30 40 GIEB O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccc(F)c1 16672856 RJBIXUYKOYLHRC-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C(/C=C\c2ccccc2)c2ccccc2)cc1 16928432 HXNGKNHTSAKUIB-PKNRWTASSA-N 376.481 4.391 30 40 GIEB O=C1/C(=C\c2cccnc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 20649743 WDVRBGQZHAHKKK-RGVLZGJSSA-N 390.464 4.154 30 40 GIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4cccs4)CC3)nc2c1C 35291397 DLORCRAVHIIOJB-UHFFFAOYSA-N 390.512 4.137 30 40 GIEB N#Cc1c(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)sc2c1CCCC2 36636113 OFDOTIMWVFITQW-UHFFFAOYSA-N 389.484 4.209 30 40 GIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 103785108 MUKVORPAMVCEMY-YBEGLDIGSA-N 382.876 4.480 30 40 GIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224985298 DNQBOYCIQSZXEF-UHFFFAOYSA-N 383.922 4.452 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 409108261 SYDFSJZKOCSMQB-APSNUPSMSA-N 380.154 4.030 30 40 GIEB CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 2620071 DPXPUSVIRJFDGW-UHFFFAOYSA-N 381.501 4.301 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC 4062253 RXFOZMBQUDUXIP-NRFANRHFSA-N 383.488 4.397 30 40 GIEB CC1=NN=C(C)C1=NNc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12 6200424 SMRLPNICZLZQNG-UHFFFAOYSA-N 394.442 4.305 30 40 GIEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1OC 7350230 SSCUAKNDKWJHPF-CMDGGOBGSA-N 385.847 4.380 30 40 GIEB N#CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 22650350 PBMRZTZMSIXFMR-UHFFFAOYSA-N 377.425 4.155 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)CCC3CCCC3)n2)n[nH]c1=S 26091445 PMOYEPMLMFNOJA-UHFFFAOYSA-N 377.539 4.083 30 40 GIEB C/N=C1/S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C(=O)N1C 408844939 DNSXTQXITVHREA-NXCZOFCGSA-N 382.485 4.115 30 40 GIEB C=CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409031608 HQQYRRJONCLVCI-AQHIEDMUSA-N 388.283 4.364 30 40 GIEB C=CCn1c(SCC(=O)c2cc(C)c(OC)cc2C)nnc1-c1cccnc1 32579394 JIDOXBRJXDAAII-UHFFFAOYSA-N 394.500 4.127 30 40 GIEB C=CCOc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 6761215 YVSLZXVADDNCPS-GZTJUZNOSA-N 384.229 4.358 30 40 GIEB CCCCCCCCCC[N+](C)(C)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105961713 OVWOYCLCRNLBGT-XSDIEEQYSA-N 375.577 4.011 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 4435986 AKFAWBQEIQCKRJ-KPZWWZAWSA-N 382.876 4.409 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 4966451 JOIGJYNKXRIMMW-UHFFFAOYSA-N 397.645 4.243 30 40 GIEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@@H](C)C3)o2)cc(OC)c1OC 16768449 DQPKSIDCSPJFGR-JRIJJQDJSA-N 397.475 4.225 30 40 GIEB O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)OCc1ccccc1 9530688 YOESPOJKDSKBGT-XKZIYDEJSA-N 386.403 4.425 30 40 GIEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21 1125647711 NJTDNRFEWVANNL-MISYRCLQSA-N 398.275 4.136 30 40 GIEB C/C(=N\OC(=O)c1nn(C)cc1Br)c1ccc(Cl)cc1Cl 13389618 PZAVGVWRFNSIBE-CNHKJKLMSA-N 391.052 4.070 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1F 1079893 ABVFVPVYZVJTGR-OAHLLOKOSA-N 398.365 4.401 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)Nc1nonc1N2 12409829 NJACRGHMINFQHK-GTNSWQLSSA-N 382.420 4.250 30 40 GIEB CCN/C(S)=N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1969111 FOAQVVIUDSVMQT-RGVLZGJSSA-N 392.322 4.257 30 40 GIEB N#Cc1c(SCCCC(=O)c2ccc(F)cc2)sc2c(O)cc(=O)[nH]c12 4945719 ADJAFPBRGGAFFZ-UHFFFAOYSA-N 388.445 4.061 30 40 GIEB COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 2789026 ZSVSAXZGJHENKB-QFGKFHJGSA-N 377.469 4.418 30 40 GIEB COc1ccc(CCNc2oc(COc3ccccc3C)nc2C#N)cc1OC 794746 KKSVKMAFULCIMP-UHFFFAOYSA-N 393.443 4.106 30 40 GIEB CCCCCCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21 2390837 BHWZTYXAIVRPGR-UHFFFAOYSA-N 379.460 4.325 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(Cl)cc1 2487243 DYGWHQFLEPNVJX-ZBFHGGJFSA-N 390.892 4.108 30 40 GIEB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccccc2C#N)cc1 8945420 JPOAXUXJKFQWHB-NRFANRHFSA-N 384.501 4.014 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608168 KZSPSGRMCGXNHP-PSLIRLAXSA-N 394.422 4.287 30 40 GIEB C=CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21 408981612 BZRCCNNKVWQFAN-ZHZULCJRSA-N 399.450 4.056 30 40 GIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1 409287244 ZPCJPYJVXDDHOW-UHFFFAOYSA-N 376.641 4.003 30 40 GIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082184 FUXSFRKIHOSLIA-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OC 803493 XDCIFGCDWJFPSP-LLVKDONJSA-N 386.473 4.023 30 40 GIEB Oc1ccc(-c2csc(/N=C/c3cc(Cl)cc4c3OCOC4)n2)c(O)c1 1063862 UTIUVDAXMJXRIM-CGOBSMCZSA-N 388.832 4.492 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 2055335 UTVYOTWQVUBCAE-HXUWFJFHSA-N 381.472 4.028 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 4902105 UOAYPLOLOJPBLJ-OJIBODITSA-N 381.501 4.248 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(C)cc1 4919723 VLLQKPYFNZJKMZ-XXBNENTESA-N 394.467 4.332 30 40 GIEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O 6583325 OSRSPANRDSOHRT-XMMPIXPASA-N 397.434 4.318 30 40 GIEB N#Cc1ccc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)cc1 8725425 AQYQHXHRTNDZGP-UHFFFAOYSA-N 398.491 4.428 30 40 GIEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 15228998 ZEEGTNRNUDHXSM-PXLXIMEGSA-N 377.400 4.442 30 40 GIEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccc2c(c1)OCCCO2 15867245 LTESWMRHXNRKPQ-UHFFFAOYSA-N 392.484 4.290 30 40 GIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1OC 408705665 KVBPYXFKNWCEBD-UHFFFAOYSA-N 390.439 4.199 30 40 GIEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408729407 FCMYZRWOMPPUAR-LFVJCYFKSA-N 390.508 4.493 30 40 GIEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)c1 6762272 JLOPKUFMDMCQBT-IBGZPJMESA-N 387.439 4.151 30 40 GIEB C=CCc1cccc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(=O)oc12 8766926 CLPOVUGLSJPIFR-UHFFFAOYSA-N 399.830 4.444 30 40 GIEB C=CCn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1 20726899 YMYFQTZYUSICDA-GOSISDBHSA-N 376.485 4.177 30 40 GIEB C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1OC 40267501 KHEMYGVSYGXRKX-KRWDZBQOSA-N 391.402 4.156 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1C 193405564 FPQQTRMGGOTBQM-AEFFLSMTSA-N 384.549 4.227 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OC 408867409 KQSOMZPQNBMHBP-UNOMPAQXSA-N 398.484 4.303 30 40 GIEB COc1cc(C#N)ccc1O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5198555 RHMQVLMWTLBTDV-OAQYLSRUSA-N 376.387 4.465 30 40 GIEB C=CCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 6589306 URTQGUQDDGOQTO-UHFFFAOYSA-N 390.715 4.484 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 6786580 XMYCVURDSVPWAD-NRFANRHFSA-N 385.419 4.478 30 40 GIEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347590 FXDUFQLVMHYMAL-QGZVFWFLSA-N 380.492 4.162 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12938633 RYECYLFLIUTCKA-XOBRGWDASA-N 380.444 4.432 30 40 GIEB CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N 16037661 PRYHLLMOEDZPCL-XPWALMASSA-N 383.451 4.201 30 40 GIEB N#Cc1c(NC(=O)COC(=O)C2(c3ccccc3)CC2)sc2c1CCCCC2 20866076 FEOIFOOTSVLQNQ-UHFFFAOYSA-N 394.496 4.102 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(CC2CC2)C1 72391180 ZBRUUQACIUFAGJ-RUZDIDTESA-N 389.543 4.086 30 40 GIEB COc1cc(C#N)ccc1OCCCC(=O)NC(C)(C)c1ccc(F)c(F)c1 79025425 SDKXKORPRBTQQT-UHFFFAOYSA-N 388.414 4.056 30 40 GIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 101662313 JZHZIRQVLSSDCK-HXUWFJFHSA-N 393.915 4.258 30 40 GIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 408863248 QNUNAGUUIYVIOY-ZSOIEALJSA-N 377.784 4.279 30 40 GIEB C=CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)n1CC 3133790 NHPWDTQUWTWPMV-UHFFFAOYSA-N 386.908 4.107 30 40 GIEB CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 25059529 VNMAQKHGUBJVGB-UHFFFAOYSA-N 393.468 4.265 30 40 GIEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366027 CMJHQLKXVHAZNX-HBMCJLEFSA-N 382.467 4.224 30 40 GIEB Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 7776707 VEGDBMOHGFBUIU-SECBINFHSA-N 378.548 4.168 30 40 GIEB CC[C@@H](C)Oc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O 409356623 GPASEQFKKVOUCH-OAHLLOKOSA-N 387.439 4.315 30 40 GIEB O/C(=N\c1nc(SCc2cccnc2)n[nH]1)c1ccc(Cl)cc1Cl 18199384 BPPGZWILJFGVPP-UHFFFAOYSA-N 380.260 4.435 30 40 GIEB COc1ccc(/C(C)=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1OC 5032119 VLWIPRZOVDMUDT-WGOQTCKBSA-N 391.475 4.250 30 40 GIEB C=C(C)Cn1nnc2c(sc3nc(-c4ccc(Cl)cc4)nc(C)c32)c1=O 13727962 UPDXEXXUUGEISF-UHFFFAOYSA-N 383.864 4.001 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@H]12 408728409 LPLPLDUEOPRMFY-ZQFKLAOWSA-N 390.442 4.129 30 40 GIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1CC=CCC1 9483165 FXJVOSSDVORWEP-HJPURHCSSA-N 393.531 4.033 30 40 GIEB CSc1ccc(/C=N/OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 9451813 POKRUUPLYAWRPY-PYWJXLHOSA-N 386.561 4.480 30 40 GIEB CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC 96019772 DRNKAMSLPQPBHP-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB O=C1N/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1cccc(C(F)(F)F)c1 18209016 OOOKRUWVXUFODH-MQEPLNOPSA-N 395.381 4.009 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1nc(-c3ccc(O)cc3)nc1N2 4279851 YUVGAGBCVHWDID-LJQANCHMSA-N 392.846 4.326 30 40 GIEB Cc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cc(F)cc(F)c2)c1 17112326 CSBQVWKFASWXTC-LHSJRXKWSA-N 392.409 4.280 30 40 GIEB COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2Br)cc1 5320654 KJSXJLBMFXTWOM-RMKNXTFCSA-N 377.234 4.371 30 40 GIEB O=C1C(=O)N(c2ccc(C(=O)O)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 5596004 JTVXKAYDJPVQMH-NHFXJNLRSA-N 399.402 4.011 30 40 GIEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5959325 RXGSXMMIMHZTCW-MTJSOVHGSA-N 376.364 4.166 30 40 GIEB biogenic CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6908057 WUZYHCIBWFMTGI-HXUWFJFHSA-N 388.423 4.328 30 40 GIEB COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 7915519 XFRRBRLGEYTAHG-AATRIKPKSA-N 377.234 4.376 30 40 GIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(CNC(C)=O)s1)O[C@@H](C)C2 8745271 AVJOJJKNBPDBEY-IYNGYCSASA-N 385.485 4.002 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1=C(C[C@H](C)CC1=O)N2 22608466 JXXPFDRGZNECTR-APPDUMDISA-N 386.546 4.380 30 40 GIEB Cc1nc(SCC(=O)N[C@H]2CCCOc3ccc(F)cc32)c(C#N)c(C)c1C 56192567 HSTVPLHEMQZTIY-SFHVURJKSA-N 399.491 4.140 30 40 GIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c(C)c1 100261197 SIEIFUCVPFCLTD-MLSMKVKPSA-N 381.501 4.202 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=N)[C@@H]1CCC[C@@H]1S2 103138260 ZIWQKINRDNGATQ-ZBFHGGJFSA-N 383.542 4.265 30 40 GIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N 225761732 QDWLMIMVNJZXJQ-UHFFFAOYSA-N 380.419 4.463 30 40 GIEB CCOCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccccc1 408930596 ZFTWYLGCYPTGQR-RABLAQOOSA-N 397.456 4.235 30 40 GIEB C[C@H]1CCC[C@](C#N)(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 513026494 BTWZRADNZKALCQ-UGSOOPFHSA-N 376.382 4.093 30 40 GIEB N#C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 596661956 FTKNTXGNKBWXBW-ZYHUDNBSSA-N 375.778 4.485 30 40 GIEB COc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1OC 4849056 NFTXAHRXFWOMJK-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB CCc1c(C)sc(NC(=O)COCc2cc(-c3cccs3)on2)c1C#N 6876542 KCHDIOAAOQMJIE-UHFFFAOYSA-N 387.486 4.362 30 40 GIEB CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)s1 100005156 JFYHHWFZZFXNEP-LICLKQGHSA-N 392.531 4.022 30 40 GIEB COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1NC(C)=O 44772105 KJUGDZOYSLKGQO-UHFFFAOYSA-N 385.423 4.445 30 40 GIEB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1C 12777046 RFQUJLVVHVPPDB-UHFFFAOYSA-N 393.468 4.188 30 40 GIEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cn3)c(=O)oc2c1 9184203 SEKRLQZZAYHLHD-UHFFFAOYSA-N 398.846 4.286 30 40 GIEB N#Cc1cccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1 6473997 LLSBUGYCISTWKB-UHFFFAOYSA-N 385.449 4.023 30 40 GIEB COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)o2)c(OC)c1 7170358 XSHNMDSTDJSUAM-INIZCTEOSA-N 381.457 4.289 30 40 GIEB CC(=O)[C@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 36074950 KNONFVJMISTVFL-QHAWAJNXSA-N 375.378 4.081 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F 720035 BMWNXJGSLDSXRS-LIUKBUMOSA-N 380.419 4.057 30 40 GIEB CCOc1ccc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2c1 17315659 OTIUODLCJKKFTH-UHFFFAOYSA-N 379.416 4.275 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)NCc2ccc(OC)cc2)nc2ccccc21 4485638 CCEALRDLYIEDKC-OAHLLOKOSA-N 381.501 4.028 30 40 GIEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC 101284507 RVJOAASTXDGJSM-FQEVSTJZSA-N 398.507 4.479 30 40 GIEB COc1cc(C#N)ccc1OCc1nc(-c2cc(Br)cs2)no1 57466643 ZMCUVCQCICVSPP-UHFFFAOYSA-N 392.234 4.020 30 40 GIEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCc2ccccc21 12627546 UBKQWELNWRSIAM-OAHLLOKOSA-N 376.485 4.020 30 40 GIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(F)cc1 2371448 NIBMYHNMGOIYIS-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB N#CCN(C(=O)COc1ccc(Br)cc1Cl)c1ccccc1 11399361 OJDVUHAIMLWPJI-UHFFFAOYSA-N 379.641 4.038 30 40 GIEB N#Cc1cccc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 6314068 HNWXTXNLNUUAQR-UHFFFAOYSA-N 397.839 4.210 30 40 GIEB CCn1c2ccccc2c2cc(NC(=O)CO/N=C(/N)c3ccccc3)ccc21 5897340 WNXWIONBCRXWPV-UHFFFAOYSA-N 386.455 4.090 30 40 GIEB CC(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408740791 ICWFSPOSIZDTJY-ZTBJCTOSSA-N 399.903 4.230 30 40 GIEB COc1ccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)cc1 32099709 CCXBWPXOEXRQHQ-UHFFFAOYSA-N 397.482 4.003 30 40 GIEB N#CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 40114898 OWUMSXNJUWXWCA-OAHLLOKOSA-N 392.484 4.054 30 40 GIEB O=C(O)CSC1=CC2=N[C@@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=CC1=O 2109717 WPYJKQMHFATMFE-SPLOXXLWSA-N 384.501 4.030 30 40 GIEB biogenic CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2n1CCC#N 8708489 INBBNPGULFBKOM-UHFFFAOYSA-N 392.528 4.479 30 40 GIEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCCCC1 12554349 JOSWMKPOULRTQU-SFHVURJKSA-N 376.504 4.008 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 16742310 DPIGKKRECUWTFH-YBFXNURJSA-N 391.335 4.258 30 40 GIEB CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC)cc1 4681761 WCORUXRBAZAMCK-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 6739908 DRFULZKMGXJMFX-FQEVSTJZSA-N 393.483 4.209 30 40 GIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 224703194 AAEGBKFFONJGDV-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224894409 XGQZEXGCWVDDGH-UHFFFAOYSA-N 399.299 4.333 30 40 GIEB C#CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2F)c1C)c1ccccc1 89522483 CLTCDTCGRVCPPS-OAQYLSRUSA-N 375.447 4.052 30 40 GIEB C=C(C)COc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OC 5000718 ULWHQXOTSXVRBE-VCHYOVAHSA-N 379.412 4.003 30 40 GIEB N#Cc1c(NC(=O)CSc2cc(-c3ccccc3)ncn2)sc2c1CCC2 12017048 AOFXUYPVXIMANR-UHFFFAOYSA-N 392.509 4.296 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 20028901 HEMGIHYQZYPFOE-NRFANRHFSA-N 394.515 4.009 30 40 GIEB COc1ccc(OC)c(C(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 906830 ZNEWMHBLRINKBP-UHFFFAOYSA-N 378.453 4.407 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccccc1F 2620864 VRNPOJPUQHIMSL-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 8300042 VBCDEJGWWZREPH-CMKODMSKSA-N 377.488 4.497 30 40 GIEB biogenic,in-vitro COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)cc1 16740613 HHCMNMSLZNWTCC-OFNOZLENSA-N 379.456 4.249 30 40 GIEB biogenic C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 17201353 BTIQAQKFOTYDAV-QMMLZNLJSA-N 394.600 4.478 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5219105 YQVZINXFLGCQLO-UNOMPAQXSA-N 397.427 4.161 30 40 GIEB C=CCN(Cc1cc(OC)ccc1OC)C(=O)c1cc2ccc(OC)cc2[nH]1 5345542 KPZMAMUVLDYZSN-UHFFFAOYSA-N 380.444 4.022 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCC)c3O)S2)cc1 408951254 ILIWCVTWBJPXHQ-SFQUDFHCSA-N 384.457 4.081 30 40 GIEB Cc1cc(Br)ccc1/N=C\c1ccc(N2CCOCC2)c(F)c1 409138882 JGBYAAQSXAXTQI-MTJSOVHGSA-N 377.257 4.484 30 40 GIEB C=CCc1ccccc1OCCOc1ccccc1/C=C1/SC(=N)NC1=O 6192781 HNONBEOAFDXOTO-XMHGGMMESA-N 380.469 4.012 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 4189408 RTLPBYJEMADABF-ZQBYOIRZSA-N 380.419 4.057 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1 1300247 ODFSGGSFXUFRKO-XAIYEJPOSA-N 391.855 4.069 30 40 GIEB Cc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(-c2ccc(F)cc2)c1C 12515366 DGIYRPKSUPLLJJ-UHFFFAOYSA-N 396.491 4.237 30 40 GIEB C=CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5210270 FUCJNQUQICSXQD-AWEZNQCLSA-N 381.863 4.405 30 40 GIEB Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)o2)cc1 5210616 FCRGKMSEFNJSPA-UHFFFAOYSA-N 378.457 4.084 30 40 GIEB CCOc1cccc(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 4688186 WFIYDUOLYCKBBR-SSDVNMTOSA-N 397.353 4.249 30 40 GIEB CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC 408964087 FRSCVPXUVBWBMZ-CPNJWEJPSA-N 398.484 4.384 30 40 GIEB CSc1ncc(C(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccc(F)cc1 95947830 CKSWCJVJRNRJAS-UHFFFAOYSA-N 398.488 4.407 30 40 GIEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCOCC2)cc1 225781318 UKWCDVCJLLENNP-UHFFFAOYSA-N 394.471 4.041 30 40 GIEB C#C[C@@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC 91252848 LVJJUTUHAFUPLE-HNNXBMFYSA-N 393.298 4.071 30 40 GIEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3OCC)NC2=O)ccc1O 12032392 WRCQNSUDCJRRLW-LDADJPATSA-N 384.457 4.081 30 40 GIEB C[C@@H](/N=C(\S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCOCC1 13878804 BVBLEVQRZNEENQ-DYVFJYSZSA-N 379.526 4.047 30 40 GIEB CCOC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)=O 3170691 ZYTAPFMXIOMEPK-DEDYPNTBSA-N 378.403 4.214 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 4682479 XEMZSKHGZAEFPQ-GLEDVZQVSA-N 399.491 4.423 30 40 GIEB COc1ccc(N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 5164126 KFIAEUOLXHQUIZ-KPKJPENVSA-N 386.455 4.052 30 40 GIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 5787705 RYMPGGJRTMHOQD-INIZCTEOSA-N 392.789 4.452 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 12553143 YNJWXDSEBFHACD-JDNHERCYSA-N 391.682 4.247 30 40 GIEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1OC 12862500 FTKVTUVEKYCHCJ-ODLFYWEKSA-N 392.363 4.132 30 40 GIEB biogenic COC(=O)C1=C(C)N/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 16606340 NCVHQLKDWAHQFT-RIYZIHGNSA-N 378.211 4.214 30 40 GIEB COc1ccc2c(c1)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2(C)C 16916751 BJGXYMRZVJJFDD-UZYVYHOESA-N 384.392 4.204 30 40 GIEB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 18195069 SWYXZAJXHNLVPI-HXUWFJFHSA-N 393.874 4.342 30 40 GIEB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cccc(C#N)c1 23731597 VFIATDKGUQWDRP-UHFFFAOYSA-N 392.890 4.346 30 40 GIEB Cn1ccnc1-c1sc(NC(=O)c2cccc(C#N)c2)nc1-c1ccccc1 24750771 GAMNIADRKYBPHF-UHFFFAOYSA-N 385.452 4.335 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1 50595882 DQTNTMRNCWTXQL-UHFFFAOYSA-N 378.501 4.424 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccco2)sc1C 102799232 OVVMDBYNZBKBPH-SXWSKBOKSA-N 386.454 4.041 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc2C1 107895910 NDOQNZNVGHJAOH-XQNSMLJCSA-N 376.481 4.184 30 40 GIEB N#Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 409018265 STJOYOGALQOOTP-RGVLZGJSSA-N 377.316 4.081 30 40 GIEB CCOc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1 409061224 CABWIMONOKVFMS-OUYOUGTCSA-N 382.441 4.017 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(F)cc1 815904 RTLPBYJEMADABF-LIUKBUMOSA-N 380.419 4.057 30 40 GIEB COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 2627004 TXHWXBYYXNDLME-UHFFFAOYSA-N 384.482 4.024 30 40 GIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 4331422 CCPRYCJLAHIYDR-AWEZNQCLSA-N 386.546 4.433 30 40 GIEB N#Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 5956561 GDOUUXXUFFBSGT-UHFFFAOYSA-N 394.434 4.428 30 40 GIEB N#Cc1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2 6886337 AXMKPFDWAIRWDC-DHZHZOJOSA-N 398.459 4.223 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 9009364 KTJJQAGRYFRIMV-SFHVURJKSA-N 394.814 4.107 30 40 GIEB Cc1c(OC(=O)N(C)C)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423710 QUVHVPHHBQHALY-YBFXNURJSA-N 376.412 4.163 30 40 GIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(Nc2ncccn2)c1 24861851 FTPHIZLMSUIYQZ-UHFFFAOYSA-N 396.372 4.021 30 40 GIEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2Cl)o1 36611352 URYHGMXZERVLLR-VXLYETTFSA-N 376.869 4.406 30 40 GIEB C=CCN(C(=O)c1cccnc1OCCOC)c1nc(-c2ccccc2)cs1 52954800 ODMTWNZBUIGDLI-UHFFFAOYSA-N 395.484 4.063 30 40 GIEB N/C(COc1ccc(Cl)cc1Cl)=N/OCc1cccc2cccnc12 60454337 HAWDGORJWQNLMN-UHFFFAOYSA-N 376.243 4.409 30 40 GIEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 96346546 PVZKFLZDANJKRA-ROUUACIJSA-N 388.446 4.283 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 222894529 WHSQHXPJCNLUSH-KRWDZBQOSA-N 380.488 4.440 30 40 GIEB CCOc1cc(/C=N/OCc2ccccc2C#N)c(Br)cc1OC 408595777 OBRFIWXAKOTBTG-SRZZPIQSSA-N 389.249 4.279 30 40 GIEB COc1ccccc1-n1cnc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc21 860969 MOXPSPHGAAJPLL-WSDLNYQXSA-N 388.383 4.399 30 40 GIEB CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265182 VBTZTTLEKGCDSV-DOTOQJQBSA-N 380.492 4.063 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c(Br)c1 12884574 AJMQFULIJUAUMI-UHFFFAOYSA-N 385.670 4.083 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1cccc([N+](=O)[O-])c1 5139539 TVAGYOGGBQAZGS-WQRHYEAKSA-N 393.376 4.492 30 40 GIEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 4613913 USSVMBKPWHDGCN-LPYMAVHISA-N 379.347 4.399 30 40 GIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081477 BSDKICJGPTXTQS-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB CCC[C@@]12C=C(OC)C(=O)C=C1O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 5664175 IXBQEKYFGIOCFL-NJDIQBRYSA-N 388.460 4.203 30 40 GIEB Cc1ccc2nc(C3=C(N)N(c4ccc(Oc5ccccc5)cc4)CC3=O)[nH]c2c1 8844102 YZRMZMCOHMCMQH-UHFFFAOYSA-N 396.450 4.380 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 17045314 DCDRWALIAGTXEH-KRWDZBQOSA-N 394.427 4.374 30 40 GIEB CC(C)OC(=O)CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCCC2 753978 VFRQFMWBKZQFJG-UHFFFAOYSA-N 382.485 4.248 30 40 GIEB CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 2639799 QQWWSYSWQUEDAB-LBPRGKRZSA-N 399.541 4.434 30 40 GIEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1cccs1 5005628 OZBBQFBEMOJTMW-XSFVSMFZSA-N 379.493 4.113 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1sc2ccccc2c1Cl 6590756 DQHZUJCLJUIRHI-CSHXORCISA-N 390.892 4.166 30 40 GIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cccc(F)c3c2C)n1 6606675 MYRBDNNYCMTZRR-LLVKDONJSA-N 388.445 4.147 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n1 12608359 HFEGCYJLRXETRO-LLVKDONJSA-N 390.390 4.271 30 40 GIEB C=CCn1c(COc2ccccc2F)nnc1Sc1ncnc2ccsc12 12779796 WQEIEJCTUJNZCL-UHFFFAOYSA-N 399.476 4.338 30 40 GIEB N#Cc1ccc(CN2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 23437515 MBGFNXIFTFXIKZ-UHFFFAOYSA-N 397.478 4.309 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)sc1C 102883251 LXJOCHOZQHNLRJ-SELCWUDQSA-N 390.464 4.386 30 40 GIEB O=C1CCCC(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 103187776 NFESEAVIUXGIJM-UFFVCSGVSA-N 377.227 4.493 30 40 GIEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cccc(O)c1 408739939 BWJIYJPBXAFMMF-ZSOIEALJSA-N 375.247 4.046 30 40 GIEB C/N=C1/S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1C 408929674 MKUJWCQJACEBFQ-XTJABLFPSA-N 379.460 4.361 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccc3c(c2)OCCO3)c1 3307614 WTNQQKZJMQSHOR-UHFFFAOYSA-N 382.485 4.114 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C 3452491 WAOOWXACHWRWEN-UHFFFAOYSA-N 380.469 4.357 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1C 4189027 JIVFBDPFSGQWHN-XWRIVVANSA-N 376.456 4.226 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 4681039 CGTGMNJQKCHQBI-VFOOBRQFSA-N 387.892 4.320 30 40 GIEB N#Cc1c(/N=C2\C(=O)Nc3ccc(Br)cc32)sc2c1CCCC2 5450540 PDODZIUQFRVXQT-UHFFFAOYSA-N 386.274 4.334 30 40 GIEB COC(=O)c1ccc(N2[C@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 5798266 XNISWUZRAVUTNA-DENIHFKCSA-N 386.407 4.341 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(OC)cc1 5855471 OGWJAIVRIXWBJI-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NC1(C#N)CCCCC1 7646025 WMYJWQZCNGCNIY-LLVKDONJSA-N 385.689 4.212 30 40 GIEB CC(C)Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1 9328215 FFTIWABQWJMLCV-UHFFFAOYSA-N 376.485 4.448 30 40 GIEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1 13482285 RQSVSQADLPEUCB-OTPBECDQSA-N 390.483 4.480 30 40 GIEB COCc1c(C(=O)OCCOc2ccc(C#N)cc2)sc2cccc(F)c12 17937880 WPDCBUPPDXOQKQ-UHFFFAOYSA-N 385.416 4.294 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)cc(OC)c32)c(OC)c1 18200496 LYJOWSIVOYFYPC-NRFANRHFSA-N 395.455 4.286 30 40 GIEB COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 27982223 UIHHQNNYIRFEQZ-UHFFFAOYSA-N 385.423 4.062 30 40 GIEB CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594253 CALBYNBTHSJMRM-INIZCTEOSA-N 380.414 4.478 30 40 GIEB CCOc1cc(CN(C)C(=O)CCc2ccc(C#N)cc2)ccc1OC(F)F 32817360 ZLCWURHAJLROGT-UHFFFAOYSA-N 388.414 4.150 30 40 GIEB CCOc1cc(/C=N\N=c2\[nH]c3ccccc3s2)c(Br)cc1O 36046627 FGDMYJGVKNYOPE-NVMNQCDNSA-N 392.278 4.031 30 40 GIEB C=CCN(C(=O)c1ccc2c(c1)NC(=O)CCS2)[C@H]1CCc2ccccc21 40146939 BCPRPVUJLOFUBG-IBGZPJMESA-N 378.497 4.437 30 40 GIEB COc1ccc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(OC)c1 83259305 SLVPRTLKTVTNFA-GRSHGNNSSA-N 382.485 4.081 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 102802708 XWBOIIKPZUICJP-WOOAAIBNSA-N 399.874 4.107 30 40 GIEB CN(C)c1ccc(/N=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 105893526 JRXDNJMLIUCFJR-HEHNFIMWSA-N 377.429 4.429 30 40 GIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224748000 QRQAAUZWLGSVIR-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB Cc1cccc(Cn2c(C)c(/C=N/n3c(C)nnc3S)c3ccccc32)c1 408874204 ZYRLQXFFDNDYFA-WSDLNYQXSA-N 375.501 4.377 30 40 GIEB COc1cc(/C=N/c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C(=O)O)o1 409386332 SIDCZKOGPMGGMU-SSDVNMTOSA-N 395.367 4.014 30 40 GIEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc(F)cc2)cc1 8559209 LKYSHYCMNQURAS-VGSWGCGISA-N 388.446 4.450 30 40 GIEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3385787 KURBSAVQXZEAMA-UHFFFAOYSA-N 390.818 4.176 30 40 GIEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2302792 HBLLMWXKXCWBEH-GOSISDBHSA-N 395.551 4.272 30 40 GIEB Cc1ccc(N2C(=O)/C(=C\NC3(C#N)CCCCC3)c3ccccc3C2=O)cc1 3414441 QZSRLPRCICQKLE-QNGOZBTKSA-N 385.467 4.339 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 18197324 VECJRYUQXNQDIY-ADLMAVQZSA-N 382.876 4.409 30 40 GIEB CCc1cccc(CC)c1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 18276042 HIUMBNMYJMTXGV-QGZVFWFLSA-N 381.501 4.059 30 40 GIEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1CC=CCC1 9482714 OSIKFLRVCQWUGW-HJPURHCSSA-N 394.515 4.460 30 40 GIEB N#Cc1ccc(OCc2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 71890678 SEAUSQJWVAYNFX-UHFFFAOYSA-N 387.399 4.381 30 40 GIEB CCc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1 409296498 IOEVHGWHQHSPAD-UHFFFAOYSA-N 384.277 4.166 30 40 GIEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 35647752 DNZKYQXOFJVXKF-VGOFMYFVSA-N 377.784 4.279 30 40 GIEB C=CCOc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1 225451247 XEUBPNILMHDJMS-UHFFFAOYSA-N 378.501 4.232 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(OCc2ccccc2)cc1 14607489 ISOYCCALSXXRJA-NYHFZMIOSA-N 386.455 4.125 30 40 GIEB Clc1ccccc1CN1CCN(/N=C\c2cccc(Br)c2)CC1 19771567 ZXHYQEINBUZJTD-BKUYFWCQSA-N 392.728 4.254 30 40 GIEB COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC#N 7165567 FYFMKHHAMKHCRJ-UNOMPAQXSA-N 393.468 4.297 30 40 GIEB CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 29939459 ZSNQPQCGHNBTOG-NRFANRHFSA-N 381.545 4.332 30 40 GIEB C=CCNc1nnc(SCCC(=O)Nc2ccc(Br)cc2)s1 40123018 DDOKWCWQSAUZKU-UHFFFAOYSA-N 399.339 4.019 30 40 GIEB CCOC(=O)c1c(NC=C2C(=O)c3ccccc3C2=O)sc2c1CCCC2 100936977 IKDHROKBNBNJQY-UHFFFAOYSA-N 381.453 4.179 30 40 GIEB O=C1C(Br)=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 1717345 ARIZXHJVJCYDLW-UHFFFAOYSA-N 390.214 4.373 30 40 GIEB COc1cccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)c1 673551 ZAVZGBZOBYWJLH-QFIPXVFZSA-N 384.435 4.343 30 40 GIEB N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)sc2c1CCCCC2 12729147 JWWWBCHYHFUUMS-HNNXBMFYSA-N 386.448 4.225 30 40 GIEB COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccccc2C#N)cc1 8945426 JPOAXUXJKFQWHB-OAQYLSRUSA-N 384.501 4.014 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20493551 QBVHMTUZCJRNKD-SFHVURJKSA-N 391.515 4.087 30 40 GIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)c1 408589244 LCIZOICWPXJKPQ-YDZHTSKRSA-N 387.443 4.203 30 40 GIEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\Nc2oc(C)nc2C#N)cc1 32697546 VIZGBCHDAJVMHI-CFRMEGHHSA-N 382.427 4.462 30 40 GIEB CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 801607 YRGMNLDVSIICHW-IBGZPJMESA-N 393.395 4.050 30 40 GIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3cc(C)cc(C)c3)o2)cnn1C 2798249 QEIIDLRXNZESNR-WYMPLXKRSA-N 394.475 4.099 30 40 GIEB CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C#N)c2)cc1 3376962 PVGAYVVXJHNGFG-UHFFFAOYSA-N 398.466 4.424 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 5812694 CMLYWTRLTXDVHK-OAQYLSRUSA-N 384.435 4.169 30 40 GIEB Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(N(C)CCC#N)cc1 6507816 VSGASMBHPZSFRU-HYARGMPZSA-N 376.489 4.148 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccccn1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 7496227 NMHMDHSEQNLVHD-VBKZILBWSA-N 391.862 4.051 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1 13569934 RAOCRJYLVJZKGN-KRWDZBQOSA-N 380.425 4.136 30 40 GIEB CC(C)(C)N(Cc1ccccc1)C(=O)CO/N=C/c1ccccc1OC(F)F 20857864 JQTPDWHGPITLSH-ZMOGYAJESA-N 390.430 4.466 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)c3cccc(OC)c3)nc2c1 35311880 JBJBLQOGRCSORS-UHFFFAOYSA-N 378.453 4.489 30 40 GIEB Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 44858857 QKKQLUYNSRHEHL-QFIPXVFZSA-N 398.466 4.466 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)no1 102804256 MCHLJGVKZDHIMD-HVESIFNPSA-N 398.802 4.164 30 40 GIEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 205666898 SOJRMZKEGGZANZ-YAXRCOADSA-N 398.827 4.177 30 40 GIEB Cc1cc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C 215734434 ULQVLJJHRVGBGP-UHFFFAOYSA-N 381.379 4.200 30 40 GIEB C=CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12 225927785 HAMZIMOSYIBGID-UHFFFAOYSA-N 382.460 4.400 30 40 GIEB Cc1sc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C#N)c1C 883008 MJAJKZRPWXIXOJ-UHFFFAOYSA-N 376.894 4.497 30 40 GIEB CC(C)=Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 3186172 UEVSUCCTMUPZCV-UHFFFAOYSA-N 376.437 4.458 30 40 GIEB Cc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cc(F)cc(F)c2)c1 8856462 CSBQVWKFASWXTC-QKKBWIMNSA-N 392.409 4.280 30 40 GIEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 100918867 YWASONMCGVRIGU-XOMICKMZSA-N 379.501 4.055 30 40 GIEB COc1cc(C#N)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 24990373 KHQKRWYIRKLTIC-UHFFFAOYSA-N 375.306 4.215 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1cc(C)cc(C)c1 102962036 CUOJDZHLWJCQFZ-RSTPCFTMSA-N 393.512 4.450 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 12552175 UMKGQWKBZKOSOL-RUCTVCJSSA-N 391.446 4.043 30 40 GIEB COc1cccc(N2OC(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1 58201537 QSPHXWUAAIJLIW-HNNXBMFYSA-N 381.215 4.073 30 40 GIEB CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N 12627255 KAIMAHMWVRTOHS-GOSISDBHSA-N 378.501 4.174 30 40 GIEB C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 4631028 GWLWQRRMIMIZSS-ZTAAAQKDSA-N 380.488 4.134 30 40 GIEB CCn1nnc2cc(C(=O)N3CCS/C3=N\c3cccc(Cl)c3C)ccc21 14719700 NCHCTDNRQXZBCO-VZCXRCSSSA-N 399.907 4.290 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1 408999360 KPBVRHYPPZGLCM-HKWRFOASSA-N 375.424 4.129 30 40 GIEB COc1cccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)c1OC 4460146 HEZIRLZYTUMXFY-IFRROFPPSA-N 385.638 4.377 30 40 GIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 100815554 VQUVPFLTELSCFV-RIYZIHGNSA-N 390.208 4.483 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102862690 FARLBYTXFWXWTA-NHFXJNLRSA-N 393.483 4.052 30 40 GIEB Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 101651215 IDGYLGSOGMYVIV-MLSMKVKPSA-N 381.501 4.202 30 40 GIEB C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)c1 58158186 HXGHCEBGUYFSPZ-NYVOZVTQSA-N 390.458 4.219 30 40 GIEB N#Cc1ccsc1NC(=O)CCSc1nc(C2CC2)n(-c2ccccc2)n1 12798530 FFJWHBBVLQUWBT-UHFFFAOYSA-N 395.513 4.199 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12938639 RYECYLFLIUTCKA-JLTOFOAXSA-N 380.444 4.432 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cc(OC)ccc1OC 4918644 GFRHDHSAMZTCMY-DENIHFKCSA-N 398.430 4.162 30 40 GIEB C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccncc1 12325061 YTNONGIWXUMURE-UHFFFAOYSA-N 378.428 4.023 30 40 GIEB biogenic CCOC[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218424943 HZJXTKDOBHYSHP-FSSWDIPSSA-N 383.513 4.044 30 40 GIEB N#Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 48988689 NNUVNXIFUGXCAA-UHFFFAOYSA-N 385.452 4.227 30 40 GIEB CSc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 101354142 ZQWNFLQYOJIHDX-UHFFFAOYSA-N 387.464 4.180 30 40 GIEB CCc1ccc(C2=C[C@H](c3cccc(Br)c3)[C@@H](C#N)C(=O)N2)cc1 1085421 FFUAQRYDYXRHLM-QZTJIDSGSA-N 381.273 4.406 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(F)cc1 4934986 SKZAEPYYNKXXRD-RJGXRXQPSA-N 381.447 4.224 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 6304004 DVEFLFJJQSONCB-UHFFFAOYSA-N 398.919 4.439 30 40 GIEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccc(Br)c2)C1=O 59516266 OSTCWXAZCREHFX-SFQUDFHCSA-N 398.256 4.326 30 40 GIEB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCC#N 2773005 ZFIMLPXMINCNJG-ZROIWOOFSA-N 399.244 4.243 30 40 GIEB CC1=C2[C@H]3OC(=O)[C@H](CN4CC[C@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658145 ZKHQMBPYBVPJKV-VZOIUDCQSA-N 385.548 4.158 30 40 GIEB biogenic CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O 2352587 SHIASKFIZDLYCS-MXWPMSCXSA-N 385.489 4.313 30 40 GIEB COc1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4748786 MZXOSOZTYBYRJC-SRZZPIQSSA-N 377.425 4.371 30 40 GIEB N#Cc1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1C(F)(F)F 79089614 ZOCWUJZHVUXWCW-UHFFFAOYSA-N 399.376 4.406 30 40 GIEB C=CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2ccccc21 48331871 TXYVIZWIMTVODL-UHFFFAOYSA-N 393.428 4.473 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222894465 WHSQHXPJCNLUSH-QGZVFWFLSA-N 380.488 4.440 30 40 GIEB O=C1N/C(=N\N=C\c2cccs2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5716283 MDUJEVDLFHTHII-VDLQQMNMSA-N 397.497 4.227 30 40 GIEB CCc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 14164991 LPZDHVAEASJYTE-QLJPJBMISA-N 376.382 4.127 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 16292338 SPAFPKOVRIKIAD-UYRXBGFRSA-N 379.506 4.408 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769187 BRGCQOHAKVPIIK-MLCYQJTMSA-N 384.411 4.034 30 40 GIEB Cn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c2ccccc21 20647870 KEZUVMYJHOLRSK-LPYMAVHISA-N 388.467 4.486 30 40 GIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C)C3 20814593 OMHZPXHMHGBGLV-UHFFFAOYSA-N 397.569 4.162 30 40 GIEB CCCCCCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 2317066 NUDDOZAFIDWNLI-UHFFFAOYSA-N 394.585 4.312 30 40 GIEB Cc1cc(C)nc(N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)n1 6672296 KBMZZEQIAIFSBZ-ZVBGSRNCSA-N 389.290 4.399 30 40 GIEB CC(=O)NCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)s1 7735087 LGXZZXTTZWCRBK-UHFFFAOYSA-N 390.464 4.185 30 40 GIEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2cccc(Cl)c2Cl)n1 7814137 DOCGLCLQGQXYQJ-BTDICHCPSA-N 395.267 4.191 30 40 GIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cc(Cl)ccc1OC 10001704 HHRQLNSYZYQURC-UTSGGKDNSA-N 375.808 4.089 30 40 GIEB CN(Cc1cc(C#N)ccc1F)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 28032789 HFIHSOXWXDXMLA-UHFFFAOYSA-N 399.372 4.222 30 40 GIEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 57364364 YEGMVVQALKDYCY-INIZCTEOSA-N 396.516 4.255 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1cccs1 85409739 IZGNXQXIZQCTNO-CQSZACIVSA-N 386.429 4.127 30 40 GIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)O1 102126664 HZUYXWNDSUIASC-JHTBKMLMSA-N 390.313 4.194 30 40 GIEB COc1cc(C)c(/C=N\c2cccc(I)c2)cc1OC 408548623 JXDVBDBWTSFVJQ-ZDLGFXPLSA-N 381.213 4.367 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1 408731454 MRXGQKYVULXPMM-JOCHJYFZSA-N 398.418 4.063 30 40 GIEB C[N+]1(CC(=O)c2ccc(I)cc2)CCCc2ccccc21 1667015 RJYGNZIGNQIWJA-UHFFFAOYSA-N 392.260 4.057 30 40 GIEB CCCCCCCCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 2178729 CLEROFHJUNEIIF-UHFFFAOYSA-N 388.533 4.025 30 40 GIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cc(Cl)ccc1OC 10001703 HHRQLNSYZYQURC-CSQSHRMHSA-N 375.808 4.089 30 40 GIEB COc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 25060533 DWZSBUYLXLQSKD-UHFFFAOYSA-N 377.469 4.185 30 40 GIEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cnccn2)cc1 2442791 CWILHNIMLIMAIU-UHFFFAOYSA-N 384.468 4.197 30 40 GIEB COCc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1 13001033 CHIZCNKVLXFADM-UHFFFAOYSA-N 399.446 4.272 30 40 GIEB Cc1cccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCS4)c1 7441500 GQTFPNAXJYMRTJ-UHFFFAOYSA-N 385.539 4.410 30 40 GIEB CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1Cl 223010416 PXKMGNCWIBHQHI-UHFFFAOYSA-N 376.865 4.095 30 40 GIEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)c2ccccc21 643527 BYARYYIOAOGGNB-VWLOTQADSA-N 395.462 4.453 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(Cl)ccc1Cl 958083 QXEKZSCTVJFDRZ-UHFFFAOYSA-N 376.268 4.320 30 40 GIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(N3CCCC3)cc2)c1 3213517 YPHMMWUIKJUGMQ-YBFXNURJSA-N 390.237 4.414 30 40 GIEB CN(C)/C=N/C(=O)[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 4002265 ZSZGBMDULYEKCA-XDEFOSFOSA-N 388.442 4.305 30 40 GIEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc2c(c1)OCO2 5551747 DRXFANPDAXSXCB-UUASQNMZSA-N 376.796 4.099 30 40 GIEB C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nccs1 12409350 OJUXFSZAQOTCNS-UHFFFAOYSA-N 384.457 4.084 30 40 GIEB biogenic CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 100547234 OHFPJFDKCJZTDM-WOJBJXKFSA-N 376.847 4.121 30 40 GIEB Cc1ccccc1OCc1nc(SCc2cccc(F)c2)nc(N)c1C#N 223683295 OOWKPDFNYUAZNA-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB COc1cccc(OCc2nc(SCc3ccccc3C)nc(N)c2C#N)c1 223693313 NKNPYWNFNGVFHD-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(C(F)(F)F)cc21 223743945 KLIKQDRAPOVHCD-ULJHMMPZSA-N 391.418 4.292 30 40 GIEB C=CCSc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 225543380 VHCUJGGGYUKVAF-UHFFFAOYSA-N 388.562 4.445 30 40 GIEB Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc(C#N)cc3)nc2c1 4359804 KXYIACYOCSYNQR-UHFFFAOYSA-N 392.528 4.383 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(F)F 5231553 VJRXDHBAQXFEEK-ONNFQVAWSA-N 387.382 4.320 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1F 6022322 QTRXYVYRAZWYCG-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 12693449 BLOKZVZBPAWYFV-UHFFFAOYSA-N 384.435 4.479 30 40 GIEB Cc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1[N+](=O)[O-] 13858346 RLFLRGASSZBQCT-UDWIEESQSA-N 380.429 4.484 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 17058132 HGCQFXZLGGYWHQ-NRFANRHFSA-N 384.435 4.169 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccs1 37406148 DEGGCYUTKZPGBV-NDENLUEZSA-N 397.412 4.330 30 40 GIEB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(C#N)cc2)CC(O)=N3)cc1 40284036 KFCKVNAXCOHPNR-QGZVFWFLSA-N 387.395 4.179 30 40 GIEB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 95671145 UPUKINIZGPNNNQ-UHFFFAOYSA-N 392.223 4.169 30 40 GIEB COc1ccc(Cl)cc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409097644 NASGLWASZQIIPT-REZTVBANSA-N 385.601 4.476 30 40 GIEB Cc1ccc(N2C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1 1079933 RUUGVSRGHLBSQT-SFHVURJKSA-N 376.412 4.431 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O[C@H](C)C(=O)O)cc1 12938986 PNFXMIKAJNNUED-TUQDCPSNSA-N 390.439 4.237 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(C(=O)OC)=C1C 16363082 SLUAAOKKJFIDPD-ZHZULCJRSA-N 390.483 4.261 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 100424911 AEJNCFNVFYDMSE-FGZHOGPDSA-N 392.478 4.405 30 40 GIEB C=CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1 226307347 WPLZZLGDOKHLEN-UHFFFAOYSA-N 390.819 4.309 30 40 GIEB C=CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC 408937324 NYSJJJXGDWIJMO-XMHGGMMESA-N 390.439 4.092 30 40 GIEB O=C1C(=Cc2coc3ccc(Br)cc3c2=O)C(=O)c2ccccc21 2355001 FIPKFLNIKURJBO-UHFFFAOYSA-N 381.181 4.018 30 40 GIEB Clc1ncc(Br)c(N/N=C/c2ccc(Br)cc2)n1 5024116 JTCSGPJITZYGRG-FZSIALSZSA-N 390.466 4.101 30 40 GIEB C=CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 6856463 SSRFUGUQCHFVQS-UHFFFAOYSA-N 390.274 4.357 30 40 GIEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)OCCCO2 15867246 XFEVSGRMUJOSTI-UHFFFAOYSA-N 392.484 4.290 30 40 GIEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 20761228 BZURFIVUMDHRNL-BUVRLJJBSA-N 391.427 4.306 30 40 GIEB Cc1sc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C#N)c1C 29474138 POAKKEPONBDJGE-UHFFFAOYSA-N 378.379 4.244 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC/C(=C\c4ccco4)C(=O)[C@@H]3C[C@H](O)[C@@H]12 257347939 ZSHIOALVDOKIOB-PSKHFPHKSA-N 384.516 4.216 30 40 GIEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc12 408723109 NBVUKPUPFCXGOU-SGFCOYOGSA-N 380.447 4.442 30 40 GIEB Oc1ccc(-c2cs/c(=N/C3CC3)n2/N=C/c2c[nH]c3ccccc23)c(O)c1 103348813 SXROKDWBCDYPSF-TYNVDDLQSA-N 390.468 4.054 30 40 GIEB Cc1ccccc1NC(=S)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1453021 WHPZTYIHDQWABW-UDWIEESQSA-N 380.429 4.484 30 40 GIEB N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 64102052 YKCXERGUPYYVBO-QLFBSQMISA-N 388.393 4.003 30 40 GIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 4137598 QPMKYLJSIBKXAD-ZBEGNZNMSA-N 399.491 4.364 30 40 GIEB C#CCOc1c(CC=C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408903872 AQZYKEQNFJZWIS-RCCKNPSSSA-N 386.451 4.242 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(OC)c1 5499115 KZSIURHAVCFPJX-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 9109393 LHMJKEKRMDYOPA-GOSISDBHSA-N 398.390 4.112 30 40 GIEB N#Cc1cccc(COc2cccc(CNc3ccc(-n4cccn4)nc3)c2)c1 95943679 UGPPCSOVYOBLRO-UHFFFAOYSA-N 381.439 4.330 30 40 GIEB C=CCn1cc(Br)c(NC(=O)c2ccc(N(C)CCCC)cc2)n1 95993537 PCPMAAVOIIMFSY-UHFFFAOYSA-N 391.313 4.320 30 40 GIEB Cc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1 408929181 ICGDXKSTLLICLK-PKEPYMRNSA-N 393.512 4.065 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(CC(C)C)C1 72391186 PDGYPJXKFPTDPU-RUZDIDTESA-N 391.559 4.332 30 40 GIEB CCc1ccc2c(c1)/C(=N/Nc1cccc(Cl)c1C)C(=O)N2C1CSC1 223724895 MKFOJEZOFIABHU-NMWGTECJSA-N 385.920 4.489 30 40 GIEB C=C(C)COc1ccccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 12344794 ICWINVKBSPDBCP-UHFFFAOYSA-N 396.506 4.408 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccn1-c1cccc(C(=O)O)c1 15013476 VEPCJXHVLQGSAD-QGOAFFKASA-N 389.436 4.067 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(Cl)/C=N/Nc2ccc(F)c(Cl)c2)cc1 33376447 PEDTXOITXZVMDG-SEMTZNRLSA-N 399.205 4.499 30 40 GIEB O=C(/C=C1\NCCN\C1=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4171304 WYNWUVXGDPAZLH-WHYMJUELSA-N 387.266 4.020 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 3073719 JMOIRWPQAWNSJQ-OAQYLSRUSA-N 378.516 4.303 30 40 GIEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccccc3Cl)nnc12 3302141 LNPNIFLOCNLEBC-UHFFFAOYSA-N 382.876 4.176 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1 3477016 FVJYASMBGIOAGB-UHFFFAOYSA-N 381.229 4.491 30 40 GIEB N#CCOc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2O)c1 6225050 ONDWITWIULYQFS-NTEUORMPSA-N 388.210 4.197 30 40 GIEB COc1cc(C(=O)/C=C/c2cc(Br)cs2)cc(OC)c1OC 7000348 MOOQWGDLTVPVQW-SNAWJCMRSA-N 383.263 4.433 30 40 GIEB N#Cc1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 8263570 CNKUSBXMEPYHHD-INIZCTEOSA-N 393.493 4.438 30 40 GIEB CCc1cc2oc(=O)cc(CN(CCC#N)Cc3cccnc3)c2cc1Cl 78958432 MQSIOMUJCAVXPR-UHFFFAOYSA-N 381.863 4.320 30 40 GIEB CC[C@H](C)c1ccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408752023 BGTQBPMODPUHSQ-MKMVBQRFSA-N 393.512 4.275 30 40 GIEB CCOc1ccccc1C[C@@H]1S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 409149727 ORUDTFSRONXIOE-XJUMHSELSA-N 384.501 4.288 30 40 GIEB N#CCc1cccc2c1CCN(C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)C2 599794341 ZAVIQUWLJJUUME-GOSISDBHSA-N 391.368 4.263 30 40 GIEB N#Cc1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12 2286186 RUAGJOMEYWPGIW-UHFFFAOYSA-N 393.406 4.350 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C 4814649 SXTMUCYKIMULEU-CYBMUJFWSA-N 385.518 4.015 30 40 GIEB CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 5025758 SZWSCHASVIKEHC-WNRNVDISSA-N 394.519 4.309 30 40 GIEB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5179939 LJHOEPJWIQAPBY-CYBMUJFWSA-N 377.473 4.025 30 40 GIEB COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1 6457693 BOUOXUFVDUQAEP-UHFFFAOYSA-N 383.835 4.442 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 8969270 OZBFHUCIDNBOIA-HXUWFJFHSA-N 379.456 4.382 30 40 GIEB N#Cc1ccccc1CSCCNc1ncnc2c1cnn2-c1ccccc1 9513571 SGLGJIRZCKBDSM-UHFFFAOYSA-N 386.484 4.032 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCOc3ccccc3)c2)c1 12776088 OVVFYNUIORTXGG-UHFFFAOYSA-N 399.446 4.281 30 40 GIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 17029153 OHKQPIVUEOADSO-FKIZINRSSA-N 392.846 4.053 30 40 GIEB COc1cccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)c1 32074877 PUOMXTKZSLPCEC-UHFFFAOYSA-N 399.450 4.135 30 40 GIEB C=CCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084880 HURTUJZGMDPUGT-PGMHBOJBSA-N 377.227 4.283 30 40 GIEB CCN(CC)c1ccc(N/N=C(\C(C)=O)C(=O)Nc2ccc(Cl)cc2)cc1 100288073 DOTKOSYLZCNVGG-LYBHJNIJSA-N 386.883 4.182 30 40 GIEB Cc1ccc(C(=O)/C(=N/Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 101077123 LHKYJJMSRJZZGO-LHLOQNFPSA-N 383.407 4.196 30 40 GIEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 215011921 YFHFRGQRVXKPPG-LDADJPATSA-N 396.424 4.396 30 40 GIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900617 BLDCJHJEJSOYRN-UHFFFAOYSA-N 398.406 4.045 30 40 GIEB C#CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1OCC 409109299 BEIKRDIAOVZJAA-GDNBJRDFSA-N 398.256 4.353 30 40 GIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCCOc1ccc(C#N)cc1 10166001 UGEDKRQOWKLFLU-UHFFFAOYSA-N 399.809 4.081 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)o1 102742530 PBXWRXPBEWNEAI-GROYHEBESA-N 394.452 4.288 30 40 GIEB COc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC)cc1Cl 2754360 YCQGBMYSZCYZMI-UHFFFAOYSA-N 383.647 4.129 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 24833550 QWRPPORLNHDFBP-UHFFFAOYSA-N 398.806 4.084 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCOCC3)o2)cc1 27794057 OMCCIMKNNYCONV-SFHVURJKSA-N 394.500 4.069 30 40 GIEB CCOc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(Cl)c1O 11334745 WNEBKZCTVMHICL-VOTSOKGWSA-N 387.863 4.177 30 40 GIEB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 5883989 ZKVHQAGSLMURFO-INIZCTEOSA-N 399.516 4.374 30 40 GIEB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 4917635 CAZWJBCKZDPIDW-OAHLLOKOSA-N 382.485 4.027 30 40 GIEB COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 18265239 TYBXUOWTJHHAHI-YVLHZVERSA-N 394.427 4.461 30 40 GIEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408944346 ULLMVZPNZWGZMT-CXUHLZMHSA-N 390.208 4.483 30 40 GIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C#N 33922014 QXDADRHDFHNLKT-JJFYIABZSA-N 391.387 4.022 30 40 GIEB CC1=C(Br)C(=O)C(Br)=C/C1=N/C(=O)c1ccc(C)cc1 16779925 JWHKFORRBOAOIX-PDGQHHTCSA-N 397.066 4.107 30 40 GIEB CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 1401187 FYDNEGZPIGZJST-PGMHBOJBSA-N 397.645 4.461 30 40 GIEB COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 3176711 VUMVYCISCXDYFJ-UHFFFAOYSA-N 397.887 4.189 30 40 GIEB Cc1c(Cl)cccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3252333 FZUCPNKBGWYUSM-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 4331380 LILMYBZXRRAFTE-AWEZNQCLSA-N 384.480 4.120 30 40 GIEB COc1cccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1OC 4944948 XIJMXMURPNKDLS-KRWDZBQOSA-N 395.430 4.371 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1cccc([N+](=O)[O-])c1 5177613 FNWNLPBLDCYQJS-ZDLGFXPLSA-N 377.308 4.023 30 40 GIEB O=C(/C=C/N1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 6276543 YQCPPEBGFXYLKJ-MDZDMXLPSA-N 389.268 4.107 30 40 GIEB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccccc1C#N 7604791 BSYPPTBIXUVXNB-UHFFFAOYSA-N 394.500 4.070 30 40 GIEB N#CC1(NC(=O)CSc2nnc(Nc3ccccc3)s2)CCCCCC1 12646068 IXGHVOIYGGZTTD-UHFFFAOYSA-N 387.534 4.107 30 40 GIEB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccccc1C#N 12760277 WBTFSICQYXGGFL-UHFFFAOYSA-N 394.496 4.321 30 40 GIEB C=CCN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N\c1nccs1 13691776 GXXHSQDBFLIUOT-FPQSPYSJSA-N 378.482 4.481 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC 33579805 CGUXKAYTLWJEIX-MTJSOVHGSA-N 376.840 4.127 30 40 GIEB CC(C)c1nc(N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc(N(C)C)n1 37613811 XUAXTFJMEJINGP-WSDLNYQXSA-N 393.447 4.070 30 40 GIEB CC(=O)N(c1ccc(F)cc1)c1nc(CN(C)Cc2cccc(C#N)c2)cs1 48344427 JJDLCXPWDVREFW-UHFFFAOYSA-N 394.475 4.470 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(C)cc1 97104876 XUMUYVDUDPOPLK-FYYLOGMGSA-N 377.484 4.380 30 40 GIEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118933009 VUBSNEZHSXMUCR-BUCSQSMMSA-N 386.532 4.225 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(Cl)c1 409301968 DRJSHEGDVCZIFL-UHFFFAOYSA-N 390.668 4.257 30 40 GIEB C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 1288512 IJZBJUODIRHZFU-CQSZACIVSA-N 376.547 4.410 30 40 GIEB CCOc1cc(C#N)cc(I)c1OCc1ccccc1 2801471 FGQKZXGSNWDUKS-UHFFFAOYSA-N 379.197 4.141 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CN3CC=C(c4ccccc4)CC3)c2C#N)C1 3360794 LYIDXAKWYPBVCK-MRXNPFEDSA-N 391.540 4.472 30 40 GIEB C[C@H]1C[C@@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 12492492 LFIHLRMKDMQVNZ-BETUJISGSA-N 390.281 4.370 30 40 GIEB C[N+]1(C)C(c2ccccc2)=C(I)C(=O)c2ccccc21 26897559 XLPPTFPQRKQRLZ-UHFFFAOYSA-N 376.217 4.254 30 40 GIEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 100552404 VSMKFIJOQLDHTG-YBEGLDIGSA-N 382.876 4.480 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)S2)cc1 408964063 FOHRHHHOESHAID-VGOFMYFVSA-N 389.820 4.154 30 40 GIEB N#Cc1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccccc2)cc1C#N 991692 ARJWZNCNXWRXKN-UHFFFAOYSA-N 382.386 4.451 30 40 GIEB CCN(CC)C(=S)SCC(=O)Nc1sc2c(c1C#N)CCCCC2 4284157 NTCKLMWQSHUGNY-UHFFFAOYSA-N 381.592 4.187 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC 4626475 QBJKGTWUOZKBMD-YWZLYKJASA-N 389.492 4.205 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2)C2=C(C[C@H](C)CC2=O)N1 4802792 RNZZVEPQMLHITI-OYHNWAKOSA-N 387.483 4.243 30 40 GIEB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC#N 5131030 RPEAJYILJIFWKW-GXDHUFHOSA-N 380.425 4.223 30 40 GIEB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1C 7309044 LVRBJZAEKLSMOG-VWLOTQADSA-N 395.462 4.171 30 40 GIEB CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 16994549 PYQOUYVOMQZWBG-INIZCTEOSA-N 379.455 4.371 30 40 GIEB COc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(OC)cc1Cl 20011136 MLOIZUFFTOLHOR-UHFFFAOYSA-N 385.807 4.173 30 40 GIEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc(OCc2ccccc2)cc1 27525715 OTDDCVYWGWKXSM-PCLIKHOPSA-N 396.450 4.075 30 40 GIEB N#CCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344124 BZDBVJXJJMONLU-MNOVXSKESA-N 385.301 4.203 30 40 GIEB Cc1[nH]c2ccccc2c1CCNC=C1C(=O)CC(c2ccc(F)cc2)CC1=O 100130583 YLMIDGSHFPIZFH-UHFFFAOYSA-N 390.458 4.347 30 40 GIEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 101696362 KDDBGUBESHMMOB-SFQUDFHCSA-N 395.256 4.267 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 104214634 BJCXXXANOUZDJN-GROYHEBESA-N 394.427 4.217 30 40 GIEB CN(C)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409074933 ONJLNWIBYDZEMX-ODCIPOBUSA-N 387.203 4.375 30 40 GIEB CCCc1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585293366 GBUMWKQDMKQXOF-IBGZPJMESA-N 393.516 4.458 30 40 GIEB COc1ccc(/N=C2\C(=O)N(CNc3ccc(OC)cc3)c3ccccc32)cc1 4891389 MOJDOGLLHMYSIJ-LVWGJNHUSA-N 387.439 4.241 30 40 GIEB CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(F)cc2s1 5121861 AZEUQQVBXFUALD-UHFFFAOYSA-N 396.491 4.296 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)N3CCOCC3)o2)cc1 27748855 XRFMHCYJXLWUHS-OAQYLSRUSA-N 388.471 4.007 30 40 GIEB COc1ccc([C@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1 27793570 BSQUTIMSZBSMMX-FQEVSTJZSA-N 376.460 4.245 30 40 GIEB O=C1/C(=N\O)c2c(Cl)cccc2N1CCCOc1ccc2ccccc2c1 46085225 SMFPUSVXSUADQM-ATJXCDBQSA-N 380.831 4.487 30 40 GIEB C[C@H](O/N=C(/N)c1ccsc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 72305375 GQCYMMHLXKUXRY-VIFPVBQESA-N 382.367 4.215 30 40 GIEB N#CCCSc1ccccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 95953564 OOPYFVFIBXKLDL-JLHYYAGUSA-N 391.496 4.471 30 40 GIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 100965667 BADDKPRGLWEUCH-LDBHMWHSSA-N 375.516 4.022 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102522805 CWRWZHYADFSXEG-WOOAAIBNSA-N 390.464 4.073 30 40 GIEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224698293 CIJNNTJNZFZECT-UHFFFAOYSA-N 393.892 4.206 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776663 SVOGQBAASYKVBG-UHFFFAOYSA-N 396.462 4.419 30 40 GIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc2c(cc1Cl)OCO2 408854460 GFCNKKYRXDOONP-UUASQNMZSA-N 376.796 4.099 30 40 GIEB C=CCc1cc(C=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 409089398 IEJOXQHBGSHXLB-UHFFFAOYSA-N 380.849 4.047 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S 409215652 CXDLVPZSPHSUSW-XNTDXEJSSA-N 399.453 4.169 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc(OC)c1OC 21624671 WOZWLZDYPPYNAE-FQEVSTJZSA-N 381.472 4.418 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 4664402 LAXTXJRBSLAQSO-DLTWUOELSA-N 396.468 4.106 30 40 GIEB CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 101114651 XVOQPRAQPKJQKM-SFHVURJKSA-N 377.488 4.186 30 40 GIEB CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)c(Cl)c2)nc1N 19852966 VZWUNCQDXUUXQA-UHFFFAOYSA-N 382.272 4.311 30 40 GIEB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409097730 OJPNXOJHFWXSIB-SSDVNMTOSA-N 393.321 4.080 30 40 GIEB CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(OCC)c1 2281096 WRULMTWLAYPMCA-HZHRSRAPSA-N 379.460 4.032 30 40 GIEB Ic1ccc(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)o1 4588714 UZXPSAYUOVUZJR-KRBFKWLISA-N 378.173 4.214 30 40 GIEB COc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1OC 4848899 JEZNUIUYRPZXFI-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc2c1 4959793 JBQUNHIGIRNRSJ-UHFFFAOYSA-N 392.440 4.362 30 40 GIEB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C#N)c1ccccc1 5216113 HZHIWAHORQAAJB-QGZVFWFLSA-N 399.450 4.067 30 40 GIEB N#CCc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 5317374 NZFKAHTZQLHABW-UHFFFAOYSA-N 379.641 4.186 30 40 GIEB N#Cc1nnc2c(Br)c(-c3ccccc3)nn2c1-c1ccccc1 5604444 CMIDGTWSIJAAJI-UHFFFAOYSA-N 376.217 4.092 30 40 GIEB N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)sc2c1CCCC2 5738317 VVJRCRSIKHKLIH-UHFFFAOYSA-N 395.513 4.014 30 40 GIEB Cc1ccccc1C[C@@H]1S/C(=N/c2ccc(Br)cc2)NC1=O 5813327 WCRQXHHNADAHMP-HNNXBMFYSA-N 375.291 4.219 30 40 GIEB COC[C@@H](C)n1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3F)SC2)c1C 7991091 APCMGQRBSSRGGK-GFCCVEGCSA-N 392.475 4.319 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 9331923 ZRIJEZJWHILNFX-VLIAUNLRSA-N 394.837 4.486 30 40 GIEB O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccccc1)c1ccc(Cl)cc1 12566423 RHLAKVLDMMEOEA-UHFFFAOYSA-O 381.908 4.356 30 40 GIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 19314751 JAYGAWBQMHLLTH-FQEVSTJZSA-N 396.531 4.310 30 40 GIEB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 21685432 RBPCWRJAWUAEHU-CQSZACIVSA-N 382.445 4.066 30 40 GIEB Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)c(Cl)c1 58984015 QOHZFJMBRWMZPI-UKWGHVSLSA-N 382.272 4.096 30 40 GIEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN2C(=O)CCCc3sccc32)cc1 66396618 WYXAXXJWJHMDNH-QGZVFWFLSA-N 395.528 4.096 30 40 GIEB COc1cc(/N=C2/N=C(O)S/C2=C\c2cccc3nccnc23)cc(OC)c1 72400555 VXQVMXSLHJOGCZ-IUXPMGMMSA-N 392.440 4.379 30 40 GIEB COC1=CC([N+](=O)[O-])=C/C(=C/C=C2\c3ccccc3-c3ccccc3N2C)C1=O 136837082 ZFPIJTBWYYZJOO-YPDNTVNXSA-N 386.407 4.344 30 40 GIEB Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)c1 408574839 DYFSRDXYVSHKNG-UHFFFAOYSA-N 397.430 4.475 30 40 GIEB O=C[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OCc2ccccc2)cc1 1236717 PJVCFMWHRGYLTG-NVXWUHKLSA-N 383.494 4.068 30 40 GIEB C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1 2329984 VHFCQUVMAAOOLG-SFHVURJKSA-N 381.815 4.192 30 40 GIEB CCNC(=S)N/N=C/c1ccccc1OCCOc1ccc(C(C)(C)C)cc1 4591167 IJMGLSIJMGQTQX-LFVJCYFKSA-N 399.560 4.260 30 40 GIEB Cc1ccc(NC(=O)Nc2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc1 5544627 NSECXZQXLCHJBO-UHFFFAOYSA-N 393.834 4.018 30 40 GIEB Cn1/c(=N/N=C/c2ccc(OC(F)F)cc2OC(F)F)sc2ccccc21 5560732 LIOBIZAPXBICPR-JTRQSQHUSA-N 399.369 4.377 30 40 GIEB N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCC(Cc2ccccc2)CC1 8694302 FFAASSAWMDYWJU-UHFFFAOYSA-N 377.879 4.251 30 40 GIEB CC(C)CCOc1ccc(/C=C2/CS(=O)(=O)c3ccc(F)cc3C2=O)cc1 35684822 GJDOXWVYBKZSER-WJDWOHSUSA-N 388.460 4.304 30 40 GIEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c(C#N)cnn32)c(OC)c1 102840079 QNVQSMNFJKXXLF-LJQANCHMSA-N 378.432 4.080 30 40 GIEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OCC)c1OCc1ccccc1 409372332 KGGCIXXWTLPBFH-BUVRLJJBSA-N 397.544 4.211 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1 1223601 OYJYSMWZIPEPGU-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB Cc1cc(C)cc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 2458408 RZYWFILYMKUDJF-UHFFFAOYSA-N 393.512 4.456 30 40 GIEB Cc1cc(SCC(=O)N2CCCC[C@@H]2C)n2c(nc3ccccc32)c1C#N 4269545 DVSPNRCYKDOCLL-HNNXBMFYSA-N 378.501 4.161 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4821557 ZRBZZVANWIFELQ-GGAORHGYSA-N 377.484 4.380 30 40 GIEB COc1ccc(/C=N/N2C(=O)c3ccccc3O[C@@H]2c2ccc(OC)cc2)cc1 5235717 OAOLAGLUPYWHBJ-DGEAWOGYSA-N 388.423 4.271 30 40 GIEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 6657140 HVDGSUHXZGQQRC-LLVKDONJSA-N 385.445 4.304 30 40 GIEB COc1ccc(CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C2CC2)cc1 8705419 NAVRHYKWILGUTD-UHFFFAOYSA-N 395.528 4.170 30 40 GIEB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cnc21 12900857 DWFVQHFGWBGEAP-UHFFFAOYSA-N 388.456 4.260 30 40 GIEB Cc1sc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c(C#N)c1C 16268259 FGEHNMJNJZGGRK-AFPJDJCSSA-N 394.460 4.393 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)[C@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 27430554 RNTVEMBMXUXGLJ-ZSICCKHFSA-N 397.559 4.355 30 40 GIEB biogenic CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2c1 35290825 IDPQXSDWCQDLHQ-UHFFFAOYSA-N 381.432 4.375 30 40 GIEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 64450262 GTLHUULLSVXBAS-UHFFFAOYSA-N 396.516 4.418 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)S2)cc1 408998758 SCLVUBLAXMKBLX-OQLLNIDSSA-N 389.820 4.148 30 40 GIEB COc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2OC)c1 409056231 FVWQJDFSQNLICG-SRZZPIQSSA-N 397.456 4.134 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 1459523 GWFRDVMATWXGRA-NRFANRHFSA-N 394.515 4.009 30 40 GIEB CN1C(=O)/C(=C/c2coc3ccccc23)S/C1=N/c1ccc(C(=O)O)cc1 100259268 SSAMBJACVJDWBS-KQHCDTJNSA-N 378.409 4.365 30 40 GIEB CCOc1ccccc1/N=C(/NC(=O)c1cccs1)Nc1nc(C)cc(C)n1 2321097 ANOSWYMPNFALAV-UHFFFAOYSA-N 395.488 4.083 30 40 GIEB COc1ccc(N2C(=O)C[C@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 4184202 SHUNOKFAJRJHFC-DEOSSOPVSA-N 384.435 4.430 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 5157685 DIJKNMOLRVCFHV-RBZQAINGSA-N 393.483 4.094 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 4629642 PYEXRWGZYDPETI-GOSISDBHSA-N 385.485 4.142 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 18196227 UEWAUZKCVZNTKH-KPZWWZAWSA-N 382.876 4.409 30 40 GIEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N/c1ccc(F)cc1 409239056 FZTYDIRFXQPVER-NPTABWGZSA-N 384.432 4.487 30 40 GIEB N#Cc1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2 9911158 IEURJZNOEVMHRN-UHFFFAOYSA-N 394.525 4.084 30 40 GIEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccccc4F)ccc(=O)n2C3)c1 20503418 YTKLJTFPXWVRJG-VQTJNVASSA-N 399.469 4.145 30 40 GIEB biogenic,in-vitro C=CCOc1ccc(NC(=O)c2ccc(I)cc2)cc1 408564660 ZWYLLAMTEGUFKD-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB COc1cccc(/C=N/c2ccc(Br)cc2)c1O[C@H](C)C(=O)O 409236512 RRDPRKVYEHXYLD-VURRPDKYSA-N 378.222 4.060 30 40 GIEB CC(=O)[C@@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35937970 LKNUEHIZNUCUFJ-CEWLAPEOSA-N 375.378 4.081 30 40 GIEB CCc1nnc(/N=C(\O)c2sc3nc4cc(OC)ccc4cc3c2N)s1 5782093 UNICRNBNBQNYAT-UHFFFAOYSA-N 385.474 4.091 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 19959942 ZEWGGEKHVIAYLJ-VLIAUNLRSA-N 392.484 4.317 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CSc3ncnc4ccccc34)c2C#N)C1 3244903 QLHRPCKAJRRQFE-LBPRGKRZSA-N 394.525 4.419 30 40 GIEB N#Cc1ccc(CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 48143305 VNCPZFNUWIBOIJ-UHFFFAOYSA-N 393.556 4.094 30 40 GIEB C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 12996167 UTCQSIJDJOPPSH-AWEZNQCLSA-N 379.412 4.170 30 40 GIEB COc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 409386772 XMHWDGSKZYRYSA-WSDLNYQXSA-N 381.384 4.325 30 40 GIEB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2c2ccccc12 4843493 MAHQHJPBLFETFJ-AWEZNQCLSA-N 387.468 4.182 30 40 GIEB N#CCCN(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1F 7341689 DBTYGLBLPCGCRX-UHFFFAOYSA-N 379.479 4.027 30 40 GIEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C4CCCCC4)n3)cc21 19820171 UPTPWYSPYVQVKP-UHFFFAOYSA-N 397.500 4.240 30 40 GIEB N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)sc2c1CCCC2 408738699 VIOFOMAVBANSAB-KRWDZBQOSA-N 395.484 4.100 30 40 GIEB Cn1c(N/N=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)nc2ccccc21 408658963 OLLVBWPKMMSXFN-CIAFOILYSA-N 391.387 4.100 30 40 GIEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1cccc2ccccc12 408538182 YYQNADGTHNNWEE-KRWDZBQOSA-N 391.814 4.095 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc2cc1OC 34791470 NYRLUTHAPHWNDI-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515241 HZJXTKDOBHYSHP-YPAWHYETSA-N 383.513 4.044 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC(=O)[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C2 1740818155 HCBUSRAMDZPDCW-SNVBAGLBSA-N 395.286 4.101 30 40 GIEB Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2n1 4240294 ITTAOJKWPDERKE-OAHLLOKOSA-N 376.485 4.366 30 40 GIEB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 6559775 BWOGPFVVDUHXKU-GFCCVEGCSA-N 381.486 4.273 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1cccs1 85409758 VEQRNKMQFFRFGL-AWEZNQCLSA-N 386.429 4.127 30 40 GIEB CCCCN1C(SCc2ccc(C#N)cc2)=NS(=O)(=O)c2ccccc21 8024019 HICCLVOAGZHFQF-UHFFFAOYSA-N 385.514 4.156 30 40 GIEB Cc1ccc(N/C(N)=N\c2nc(O)cc(CSc3ccc(Cl)cc3)n2)cc1 20081964 BXVNGJPCAHLNBM-UHFFFAOYSA-N 399.907 4.495 30 40 GIEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/CCc1ccccc1 100163151 WFPHNXAPZPGQJC-HZHRSRAPSA-N 390.512 4.389 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)c1C#N 983253 DFESMQMQQSACPZ-UHFFFAOYSA-N 396.299 4.446 30 40 GIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 2220682 TZIIBYWFFHEQDZ-GLEDVZQVSA-N 399.491 4.423 30 40 GIEB COc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OC)ccc1-2 4836890 WFRJUWOHTSBZFI-UHFFFAOYSA-N 375.384 4.457 30 40 GIEB C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccccc1 4844329 UTBLKEPKJQPCSL-ZMOGYAJESA-N 377.473 4.159 30 40 GIEB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C#N)s1 6831954 RZOGILSUEOEENC-UHFFFAOYSA-N 381.486 4.193 30 40 GIEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccc(C(=O)O)cc1 7890400 UOSBVBKBJXNJCI-LSHDLFTRSA-N 386.814 4.177 30 40 GIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 12391563 MSIMCMOGZNEWQP-BBATYDOGSA-N 394.456 4.119 30 40 GIEB C#CC(CC)(CC)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12857936 UIVKUXZZMRDLTD-UHFFFAOYSA-N 379.485 4.290 30 40 GIEB Cc1sc(NC(=O)CSCC#N)nc1-c1ccc(Br)cc1 36760206 CFDJZLFWGFXULG-UHFFFAOYSA-N 382.308 4.076 30 40 GIEB CCOc1ccccc1-c1nc(CC(=O)N(C)c2cccc(C#N)c2)cs1 58011070 UVGNZONFOSTJFJ-UHFFFAOYSA-N 377.469 4.286 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(C)cc1 97104874 XUMUYVDUDPOPLK-JTHBVZDNSA-N 377.484 4.380 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 100059008 LHXAPGGOOJIAOY-NRFANRHFSA-N 399.487 4.015 30 40 GIEB CC1(C)CC(=O)c2cc(NC(=O)N3CCc4c(CC#N)cccc4C3)ccc2O1 626560198 IXTIQGWNRRHTRY-UHFFFAOYSA-N 389.455 4.087 30 40 GIEB C=CCn1nnnc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 6856375 AVPVNPTYCJXLPR-UHFFFAOYSA-N 389.434 4.343 30 40 GIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)cc1 7586266 JLIKLANQLWYAAA-OVCLIPMQSA-N 392.499 4.040 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)COc3c(F)c(F)cc(F)c3F)c2C#N)C1 2747732 FOVOJVOAGQTLKJ-MRVPVSSYSA-N 398.381 4.318 30 40 GIEB CC(=O)Nc1ccc(/C(C)=N/OCc2ccc(F)c(Br)c2)cc1 58371036 LLFNPBPYJRBXDL-SRZZPIQSSA-N 379.229 4.487 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1)Nc1nonc1N2 40286818 GNEXLBWRECTLQB-LIRRHRJNSA-N 376.391 4.188 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1)Nc1nonc1N2 40286820 GNEXLBWRECTLQB-KUHUBIRLSA-N 376.391 4.188 30 40 GIEB C/N=c1/scc(-c2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)cc1O 103457598 PUFIPVGERWQOHA-SQWJJAGZSA-N 394.283 4.347 30 40 GIEB COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 24976631 NLUSAFHXZBYNRO-CYBMUJFWSA-N 384.501 4.333 30 40 GIEB CN(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1 409287570 WTNICQIDQKMFKP-UHFFFAOYSA-N 398.422 4.351 30 40 GIEB N#CCCn1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 7745414 CEDXBUCZEJMUQE-VQHVLOKHSA-N 385.423 4.131 30 40 GIEB CCOC(=O)/C(O)=N/c1nnc(SCc2ccc(Cl)cc2Cl)s1 20031849 LTFPCASGLVMNOA-UHFFFAOYSA-N 392.289 4.288 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(OC)cc1 409240344 GTBRBOOFWVHGCO-KIOXBDSISA-N 381.501 4.385 30 40 GIEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(-c2ccccc2)cc1 408741465 PXGSNZKNXNKCCU-FBTHGLLTSA-N 399.475 4.120 30 40 GIEB COc1cccc(/C=N/c2ccc(Br)c(C)c2)c1O[C@H](C)C(=O)O 409230689 FMXJJAWHVMYDJL-HMASQMOLSA-N 392.249 4.369 30 40 GIEB COc1cccc(/C=N\c2cccc(O)c2)c1OCc1ccc(C(=O)O)cc1 409186690 GNNQSIBWAWHQQS-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB C=CCOc1cccc(NC(=O)c2ccc(I)cc2)c1 71834817 OYDUUHOUPYPSRU-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776490 YHGJZSAXVCLHQR-UHFFFAOYSA-N 382.435 4.173 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccccc2)cc1 5345796 PEPJAXGFCKJEHB-HTAPYJJXSA-N 386.455 4.011 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14397381 WFBGYACWDLVRDB-OAHLLOKOSA-N 386.879 4.279 30 40 GIEB CCN(CC)c1ccc(/C=N/c2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1 1669819 LSLDWGDPIWFLRH-HYARGMPZSA-N 398.484 4.389 30 40 GIEB CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c2c1CCCC2 6721142 VEPIWSGQBLFZIU-UHFFFAOYSA-N 386.542 4.226 30 40 GIEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cccc1OC 100765947 ZIDIXLVNOMAIQS-RTBURBONSA-N 397.490 4.414 30 40 GIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 102875781 BUVSCHHQQWLPLA-JBCNATCCSA-N 385.419 4.322 30 40 GIEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1O 8811381 AOYNIOAQQRCNSK-DJKKODMXSA-N 383.673 4.331 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)cc1C 408843450 MTBCFXXNQCDUDP-FQEVSTJZSA-N 389.451 4.135 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 6274315 JRIJTVMJZXYCGG-UAQCVPFCSA-N 396.472 4.229 30 40 GIEB O=C1CSC(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)=N1 4592195 RLRMCEJTTYQEAH-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB C=CCNC(=S)N/N=C/c1ccc(O[C@H](C)c2ccccc2)c(OCC)c1 4511333 DMQCERXWUKWVLJ-LGVXEURYSA-N 383.517 4.209 30 40 GIEB Cc1cc(/N=C/N2CCN(c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 17173009 AKJSIYFCWCDZAM-YZSQISJMSA-N 394.482 4.150 30 40 GIEB N#CCCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21 5693676 ONAVBAJRROVOFJ-UHFFFAOYSA-N 394.544 4.127 30 40 GIEB NC(=S)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408974620 FOXOMBXOEBJVOZ-ODCIPOBUSA-N 377.300 4.164 30 40 GIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(Br)c3)C2=O)s1 137702245 HRXCXBPDLGXYMM-LNYDFZRASA-N 394.319 4.281 30 40 GIEB COC(=O)c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 3114821 NASKVNSCDWBOKD-LFVJCYFKSA-N 390.439 4.320 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(F)c1)Nc1nonc1N2 12409832 NJACRGHMINFQHK-PIGZYNQJSA-N 382.420 4.250 30 40 GIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccccc2s1 5035006 FPEOCCFTKQSHAK-UHFFFAOYSA-N 375.500 4.281 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@H]1c1ccccc1 5347519 VEYVLEOZPWPYKQ-KRWDZBQOSA-N 388.452 4.240 30 40 GIEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 4812735 VCWJXPYNKVMMLP-SFHVURJKSA-N 393.535 4.314 30 40 GIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\Nc3nc(C)cc(C)n3)c2C)cc1 408776505 OSKYDWHXOLNLFJ-QRVIBDJDSA-N 391.475 4.124 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)c1 408798291 VQPIJFFAJQXSJJ-JXAWBTAJSA-N 393.414 4.268 30 40 GIEB CCCOc1ccc(Cl)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408945600 WZALSUSUIYRWJY-ZDLGFXPLSA-N 378.772 4.391 30 40 GIEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(SC)cc2)cc1 224994990 BQYIGTAWJNYAGK-UHFFFAOYSA-N 375.515 4.355 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccccc1OC 5131504 RTAZXOBEFWLLPP-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C#N)cc1 15980938 NIPRKVRLIJIGLP-DKECESECSA-N 398.438 4.492 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccc1F 5376931 METAVHJFIHTHOD-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB Cc1c(/N=C/c2ccc(F)c(Br)c2)c(=O)n(-c2ccccc2)n1C 5530625 QUKDXKIALQRAIM-SRZZPIQSSA-N 388.240 4.137 30 40 GIEB N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2 3317986 SAIFPNCWFTTXNU-UHFFFAOYSA-N 392.839 4.087 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C)cc2)cc1 104184818 PQDLUCSZMQMSBV-SELCWUDQSA-N 390.464 4.386 30 40 GIEB CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 40069837 ARHGQVIHJLXBJS-UHFFFAOYSA-N 379.460 4.106 30 40 GIEB C=CCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)S/C1=N/c1nccs1 101227702 YHOLQVJOCIVDAI-XKOOYEHJSA-N 381.482 4.252 30 40 GIEB O=C(O/N=C(\c1ccccc1)c1ccncc1)c1cccc(Br)c1 6829384 QWQCHONHYFSTMM-RELWKKBWSA-N 381.229 4.454 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707146 AKMGAMRIGAXMTI-MOSHPQCFSA-N 393.464 4.252 30 40 GIEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl 20797124 BMAVKRSCHMIBCI-SFHVURJKSA-N 382.807 4.476 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccsc1 18199328 ZTPUKGCCNLRHBV-QGZVFWFLSA-N 391.496 4.428 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1 110706860 WOGRTAMZIYJAAS-XDHOZWIPSA-N 395.484 4.153 30 40 GIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 3549287 HZINQDAPZZVGJQ-UHFFFAOYSA-N 398.528 4.130 30 40 GIEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(=N)[nH]1 118915681 OLFQKPLZTHOKAV-XAEAAPDTSA-N 386.561 4.142 30 40 GIEB in-vitro Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 7286581 DSQDQIFOMYGQRA-UHFFFAOYSA-N 385.467 4.026 30 40 GIEB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 69248136 HQIOMJMSDRGODI-QGZVFWFLSA-N 399.450 4.475 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccco1 9763892 DYBLFRVNGCHVKU-QGZVFWFLSA-N 380.787 4.111 30 40 GIEB COc1cc(/C=N\c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)o1 409384441 BXCNVESSSFOMHW-NHDPSOOVSA-N 396.355 4.224 30 40 GIEB CC1=CC(=O)C(N=[N+]=[N-])=C(C)/C1=N\C(C)=N/S(=O)(=O)c1ccc(Cl)cc1 97971489 UFIFPXJWIQDWGR-YSRMSLORSA-N 391.840 4.001 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 4814165 LZPHHTUPSJGXLM-RBZFPXEDSA-N 394.837 4.486 30 40 GIEB COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2)cc1 5656708 LOQXYZUIZYCQJN-UHFFFAOYSA-O 377.489 4.342 30 40 GIEB O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)OCc1ccccc1 6111706 LNYZMWNTPBGHGH-NDENLUEZSA-N 376.364 4.018 30 40 GIEB biogenic COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1CSCC(=O)O 7913189 DAPWRKNYGKXOOF-ZZXKWVIFSA-N 378.396 4.187 30 40 GIEB Cc1ccc2nc(NCc3ccccc3)c(/C=N/Cc3ccccc3)c(=O)n2c1 15986669 BQBPLVHLUDVKBR-PCLIKHOPSA-N 382.467 4.234 30 40 GIEB N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C1CC1 25061543 OYKZQLFYYWNCIO-HXUWFJFHSA-N 383.542 4.312 30 40 GIEB Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 57741176 YQDXQABCJVFSIE-PELKAZGASA-N 384.789 4.084 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)[C@](C#N)(CC=C)[C@@H]1c1ccccc1Cl 100969391 SNVDSJZFACZEPJ-XLIONFOSSA-N 386.904 4.443 30 40 GIEB CCN(CC)c1ccc2c(Cl)c(-c3nc(C#N)c(C#N)s3)c(=O)oc2c1 255190732 ZBYGGJGERCAEEO-UHFFFAOYSA-N 384.848 4.159 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1cccc(OCC)c1 12063460 KYKKJWSBZGQDNE-JOCHJYFZSA-N 389.455 4.221 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2c1 1354711 VUYPSXIOLJJAGA-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB N#Cc1cccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c1 58191046 VQEPNEYOCOUYMD-UHFFFAOYSA-N 375.379 4.066 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccs1 5408212 FSUTWRVEACIHOV-SFHVURJKSA-N 391.496 4.428 30 40 GIEB COc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 4725894 MRKBVFOOAISIIL-RGVLZGJSSA-N 377.360 4.186 30 40 GIEB N#CCc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 7371970 CSVJCQYAMGNWPO-UHFFFAOYSA-N 381.486 4.079 30 40 GIEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1 409187420 QEDHIZVBSBULKT-UFFVCSGVSA-N 375.808 4.119 30 40 GIEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1Cl 408628631 VOOXOLVKZXCSLD-UHFFFAOYSA-N 379.894 4.025 30 40 GIEB CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1OC 32115384 LCPZNDUDZHYTGM-CIAFOILYSA-N 385.420 4.497 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccccc2)N1 2251039 OWMDRGZQTYBAPP-KRWDZBQOSA-N 379.851 4.335 30 40 GIEB C=CC[C@H]1C=CC[C@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 11565612 SBHWYMPHTLLVGA-RWMBFGLXSA-N 375.328 4.332 30 40 GIEB Cc1ccc(N2CCN(/N=C/c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 3167279 DVYVINQIEYIKPK-LFVJCYFKSA-N 393.922 4.299 30 40 GIEB O=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccc(F)cc1 2318249 NSARFAVUBODAKC-BZCDASSZSA-N 377.444 4.444 30 40 GIEB Cc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2C#N)c1C 20417805 KIIZIHVZLAAKGM-UHFFFAOYSA-N 399.450 4.445 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)c(C(F)(F)F)c1 40110792 OWFMEEXQQJOPQW-UHFFFAOYSA-N 377.347 4.470 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 1457735 CRORJUNPHABFRF-NRFANRHFSA-N 396.506 4.442 30 40 GIEB COc1cc(OC)c(/C=N\Nc2cc(C)c3ccc(OC)cc3n2)c(OC)c1 5392940 HIELKZNVQQYNOC-UUYOSTAYSA-N 381.432 4.024 30 40 GIEB N#Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 6400951 FFCBDAVTDNSQFY-QGZVFWFLSA-N 393.493 4.438 30 40 GIEB COc1cc(Br)c(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1O 14183525 JQFWDJPWQHOSQY-HWKANZROSA-N 381.197 4.207 30 40 GIEB CCSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611439 RQOZRLNQXHSOBX-AWQFTUOYSA-N 376.869 4.406 30 40 GIEB CCOc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 408749597 HYWOEIRUAWFVPP-UUYOSTAYSA-N 379.420 4.242 30 40 GIEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1Cl 409186756 HMXHLAIZTCZNSD-SSDVNMTOSA-N 389.835 4.208 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 102627548 HEVTVQBOSJKRHD-YDJIHCHBSA-N 379.456 4.225 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2cccc(Cl)c2Cl)n1 7814136 DOCGLCLQGQXYQJ-FYJFLYSWSA-N 395.267 4.191 30 40 GIEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC(=C)C)CC1 5270025 UQQXTCOZWWUIQM-UHFFFAOYSA-N 387.531 4.131 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 6813177 QPBPPKGNIZWMST-LJQANCHMSA-N 399.874 4.263 30 40 GIEB C#CCOc1ccccc1CN(C)C(=O)N[C@H]1CCSc2ccc(C)cc21 72270270 RTRLTEMOCDNKLU-IBGZPJMESA-N 380.513 4.386 30 40 GIEB CCCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 408726497 SGGYMFBSHNJJMU-HZHRSRAPSA-N 379.460 4.032 30 40 GIEB C=CCc1cc(C(=O)O)cc(OC)c1OCc1ccc(Br)cc1 227174027 XBCSCBPGOJSFOA-UHFFFAOYSA-N 377.234 4.463 30 40 GIEB COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1O 1229634 GGBRYGLFKJYDKZ-GIJQJNRQSA-N 381.213 4.373 30 40 GIEB CCCCCCCCCC1=C(CSC[C@@H](NC(C)=O)C(=O)O)C(=O)[C@@H](C)C1 1772591809 QHCLPKZUBORWGU-HNAYVOBHSA-N 397.581 4.355 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C/c1c(O)ccc2ccccc12)CCCC3 972475 KYJMLIDDTUTNBT-FOKLQQMPSA-N 375.453 4.078 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1 8991289 MNABFAAQOJFUDX-KKSFZXQISA-N 387.439 4.345 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 4436115 MYVHBNPLGMSIOC-CQSZACIVSA-N 381.288 4.329 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(/Cc2ccccc2)[C@H](O)Cc2ccccc2)cc1 4701141 QOKBYRYSSUNEBZ-KEPZKYLNSA-N 375.428 4.209 30 40 GIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 6477230 FWJCKYBQAJAZCR-UHFFFAOYSA-N 394.500 4.082 30 40 GIEB C=CCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 6856489 RSMGFRMFHNHUBY-UHFFFAOYSA-N 390.274 4.357 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1Cl)C(C#N)C#N 18143072 XBNBQHZZJCMRHC-WOJBJXKFSA-N 376.847 4.121 30 40 GIEB CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1432872 SLTFKUGIBYNLBL-HKUYNNGSSA-N 378.447 4.019 30 40 GIEB C[C@@H](C#N)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 39574176 SRPCJTWGMOWHNZ-ZDUSSCGKSA-N 395.454 4.276 30 40 GIEB N#CC1(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)CCCC1 5288230 MEJWSDBDZLDLQR-UHFFFAOYSA-N 394.525 4.403 30 40 GIEB COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)[C@@H](c1cccnc1)N2 5302893 DKBABKTVBBEHCM-HXUWFJFHSA-N 377.444 4.090 30 40 GIEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409187367 PMXQWSCTWUCVAK-KEBDBYFISA-N 376.796 4.329 30 40 GIEB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 528927504 INIHQHVAWXZANT-FDDCHVKYSA-N 391.471 4.021 30 40 GIEB COc1ccc(N/C=N/c2cc(C)c(C#N)c3nc4ccccc4n23)c(OC)c1 17173008 VAMHEHDLQZUGQM-UHFFFAOYSA-N 385.427 4.457 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3)ccc21 8958758 FLHFJJOFPSSMSL-UHFFFAOYSA-N 378.472 4.196 30 40 GIEB N#CCCCSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 4513597 NIGUUJUURCASFM-UHFFFAOYSA-N 387.411 4.383 30 40 GIEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 4814183 DNBITBJQVUBNAE-XCLFUZPHSA-N 394.837 4.486 30 40 GIEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 6617480 AATPJHHARDVXEV-UFFVCSGVSA-N 383.326 4.467 30 40 GIEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 6860775 RHVZGHZDKYZOQY-NSHDSACASA-N 399.541 4.188 30 40 GIEB COc1cc(Br)c(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1OC 7586648 SIYYLVJCSORHIL-JXMROGBWSA-N 390.277 4.428 30 40 GIEB CCn1c2ccccc2c2cc(/C=N/N3CCN(c4ccccn4)CC3)ccc21 12524418 LASUQYQDBGFWQE-NLRVBDNBSA-N 383.499 4.366 30 40 GIEB C[C@H]1Cc2ccccc2N1/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1 12560902 BHHBSPLRKGEGTF-FFLLYBNDSA-N 394.471 4.412 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12784617 ITLQPAWLLQVTEK-SZNDQCEHSA-N 394.500 4.425 30 40 GIEB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCc1ccccc1C#N 12796623 XVQBVPBOTVPANF-UHFFFAOYSA-N 379.441 4.386 30 40 GIEB Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@H]2CCCO2)CO3)C1=O 13718962 NNDYVVDLNOEBNY-BBSXFRJVSA-N 383.469 4.004 30 40 GIEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 15867343 YMDBMIXGZONXQA-UHFFFAOYSA-N 397.485 4.065 30 40 GIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@]2(O)CC(C)(C)CC(=O)[C@H]12 17173104 NMOVZZLGMACDGB-ZILOHOTNSA-N 398.499 4.146 30 40 GIEB CS[C@]12C(=O)C[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]1CCC1=CC(=O)CC[C@@]12C 17353405 XEWYFKCIYPODDC-FQOAANTKSA-N 390.545 4.115 30 40 GIEB Cc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(C#N)cc3)C2=O)c(C)c1 33286199 QNBHKVKJIIJHCP-GRSHGNNSSA-N 376.437 4.094 30 40 GIEB C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4ccc(Cl)cc4)nn23)CC1 40216995 GQVDHHMRCYUNEF-UHFFFAOYSA-N 395.938 4.365 30 40 GIEB CCCCCCCOc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 98044693 XWVLELKPTHTTIS-FQEVSTJZSA-N 377.492 4.482 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 102799163 COGNUICLLZTKSU-LFVOPCPISA-N 399.874 4.107 30 40 GIEB CCCCCCCCc1nnc(NC(=O)c2ccc3c(c2)OCC(=O)N3)s1 102937458 BQKBVKODNHBNLP-UHFFFAOYSA-N 388.493 4.024 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 104180332 VBVZVUZQNRQAJG-GROYHEBESA-N 394.427 4.217 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775137 GVVWHEYEWFFAJD-UHFFFAOYSA-N 382.435 4.173 30 40 GIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(F)cc3F)o2)c1C#N 408602482 OOWOMDSYNAOLIF-YSURURNPSA-N 382.370 4.392 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)NC1CC1 663397 XJIAPDJQLFDGHD-UHFFFAOYSA-N 395.381 4.149 30 40 GIEB CCOc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1 907373 DCUAVKDMCHDDHE-UHFFFAOYSA-N 383.517 4.388 30 40 GIEB CCO/C=N/n1c(C2CCCCC2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2266572 CGXQNIJSLSUCEH-CIAFOILYSA-N 389.521 4.185 30 40 GIEB N#CCCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 3222454 NXIOCZMDRZPTHP-UHFFFAOYSA-N 398.469 4.243 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 4385952 JETNACIEVBWRSK-MRXNPFEDSA-N 395.890 4.271 30 40 GIEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/Nc1nncc2ccccc12 6287749 UHDAYNVTYRITBA-FSJBWODESA-N 376.851 4.282 30 40 GIEB COc1cc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)ccc1OCC#N 6455988 AMCLDXFFXSVXSI-LPYMAVHISA-N 378.457 4.476 30 40 GIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 6658597 GMLFDFZNFDVYMF-LHSJRXKWSA-N 392.409 4.280 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 12322098 FSVDPPQTJOQUNN-GOSISDBHSA-N 397.406 4.237 30 40 GIEB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccccc2C#N)s1 12775697 FORNBDRDFFTUKM-UHFFFAOYSA-N 396.537 4.362 30 40 GIEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 14397297 HMLRFKQPVRUXEE-KOEQRZSOSA-N 395.503 4.213 30 40 GIEB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2cccc(C#N)c2)C1 20503218 FTHNQIMOKZAOOH-FCHUYYIVSA-N 395.506 4.315 30 40 GIEB biogenic,in-vitro COc1cc([C@H](C)NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccncc1 46672038 SLFNQUBTCFGVAP-INIZCTEOSA-N 387.439 4.032 30 40 GIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2)nc1 408587683 ABNCPLNVESCIHG-SRZZPIQSSA-N 394.343 4.241 30 40 GIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccncc3)cc12 409287546 WMGAZMXTZUXKJA-UHFFFAOYSA-N 396.406 4.096 30 40 GIEB CCCCN=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 2032946169 YWASONMCGVRIGU-INIZCTEOSA-N 379.501 4.055 30 40 GIEB CC[C@H]1CCc2sc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)cc2C1 7779922 ZTANFLFFKPNQJN-JSGCOSHPSA-N 388.514 4.061 30 40 GIEB CC(=O)NCCc1ccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 22417218 NMRKXGOGZWXLLW-UHFFFAOYSA-N 398.462 4.261 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1 59678723 NTJURUWSZHALKI-RGEXLXHISA-N 375.453 4.378 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)cc1 2239596 VCKHXKWPBSLYSX-UHFFFAOYSA-N 384.530 4.156 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC(C)C 12796002 YQXLCRMTAIRPML-QPJJXVBHSA-N 386.835 4.202 30 40 GIEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1 18255121 BZIAEXUGNIBWHU-LGMDPLHJSA-N 383.473 4.170 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N=C3\NC(=O)[C@H](Cc4ccccc4)S3)o2)cc1 18209218 NOCJOAFKKLQBQD-BTVXTAIASA-N 389.480 4.419 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1 97105065 GDGQGZVPLMINLE-SIKLNZKXSA-N 380.440 4.023 30 40 GIEB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 36074948 KNONFVJMISTVFL-PWRODBHTSA-N 375.378 4.081 30 40 GIEB CCCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1 409058347 MTFLRIVZQXXFMD-DLTWUOELSA-N 396.468 4.407 30 40 GIEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224809911 DHOQTDGDHCQPPY-UHFFFAOYSA-N 375.490 4.010 30 40 GIEB O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C#Cc2cccs2)c1 48365474 KSWKYUXCECWQFU-UHFFFAOYSA-N 377.425 4.378 30 40 GIEB Cc1cncc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)c1 585294141 ORZGKQAXWIIECJ-JOCHJYFZSA-N 399.502 4.226 30 40 GIEB CCc1cccc2c1NC(=O)/C2=C1\S/C(=N/c2cccc(Cl)c2)NC1=O 4470417 BCJSMWNWALBGEB-PEZBUJJGSA-N 383.860 4.116 30 40 GIEB Cc1ccc([C@@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N(C)C)cc1 40373943 OBFPQKZQCXYMNQ-LJQANCHMSA-N 391.431 4.145 30 40 GIEB Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N[C@H]3C=CC=CC3)n2)c1 4478008 RDLWLVWVDRJHRK-FSTGKYBXSA-N 399.458 4.063 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/C=C/c1ccco1 5376745 UPWCXRIAKWXIBS-GSPDUGTFSA-N 375.247 4.490 30 40 GIEB O=C1N/C(=N/N=C\c2cccs2)S[C@@H]1Cc1ccc(Cl)cc1Cl 4567562 HEGIRXVLVLQKLJ-KURMNSRBSA-N 384.313 4.219 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1 7983150 YJBGLRVFLJLBDH-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(Cc2cccs2)c1C 8193876 MDMJHXGSRNATNZ-UHFFFAOYSA-N 390.512 4.088 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=Nc1ccccc1 409090018 PUYWDPFIBSJJID-KJSANLLDSA-N 393.512 4.147 30 40 GIEB Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 408574626 AMICFCDFCAHQER-UHFFFAOYSA-N 397.430 4.475 30 40 GIEB C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc(C)c(C)c2c1=O 37143213 AKHQSJAQXZJAGJ-UHFFFAOYSA-N 390.534 4.135 30 40 GIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(C)c1 224641441 FFIAHTCBEYTLHI-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 15008736 JCJZTJSAGPGOJX-MKFNJMOCSA-N 388.380 4.135 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1 5541552 JZWGURUFFHBCEJ-MLSMKVKPSA-N 379.485 4.141 30 40 GIEB CCOc1ccc(CCNC2=C(C(=O)CC)C(=O)CC(C)(C)C2)cc1OCC 100140107 VLQHDVIPXGKNCC-UHFFFAOYSA-N 387.520 4.238 30 40 GIEB CCOc1cc(/C=N/n2cnnc2)ccc1OCc1c(Cl)cccc1Cl 936826 WGNNSYUSFIGADF-NUGSKGIGSA-N 391.258 4.445 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OCC 4918336 BTCABBSOCQRFLF-NZQKXSOJSA-N 394.467 4.413 30 40 GIEB C=CCNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC=C)cc2)cc1 7523045 ZIMYBUUOKDNZMQ-UHFFFAOYSA-N 396.585 4.222 30 40 GIEB O=C(/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1)c1ccc(Cl)cc1Cl 8775314 ZBNXEWZFINRQKZ-FRKPEAEDSA-N 389.198 4.374 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 12533610 HQVMGOQZBOETEL-UHFFFAOYSA-N 377.256 4.472 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cccc3cccnc23)C1=O 12644714 VLOIJJLTAJJSDN-JXAWBTAJSA-N 386.407 4.062 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O[C@@H](C)C(=O)O)cc1 12938991 PNFXMIKAJNNUED-CLVCIHKQSA-N 390.439 4.237 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)S2)cc1 33776719 FNFCZZBILBMWRO-UNOMPAQXSA-N 398.484 4.383 30 40 GIEB CCOC(=O)/C(=C\Nc1cc(-c2ccccc2)nn1Cc1ccccc1)C(C)=O 100065244 FFDWZHIFZFSQGV-HKWRFOASSA-N 389.455 4.046 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 102798474 WCOJINXZTNTBJT-YDJIHCHBSA-N 391.398 4.349 30 40 GIEB Cc1ccc(OCc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)cc1 223687411 GCGILSGXWXICMB-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=CCc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ccc1OC 224827536 GXIDOZLPSONIBJ-UHFFFAOYSA-N 378.516 4.340 30 40 GIEB C=CCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408816977 ZKTBPMCANHONOD-UHFFFAOYSA-N 381.477 4.331 30 40 GIEB COc1cc(/C=N\c2ccccc2O)ccc1OCc1ccc(C(=O)O)cc1 408965019 FRFDEOWZGALDTI-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 3235605 QZVWKCKGUFPQJV-UHFFFAOYSA-N 384.435 4.262 30 40 GIEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2C)NC2CCCC2)n1 5274189 NSXFAEXUHNFVJC-UHFFFAOYSA-N 396.564 4.407 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 8944437 UHVAAGQGQNFTIS-SNVBAGLBSA-N 399.501 4.184 30 40 GIEB COC(=O)c1cccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)c1C 408913169 SXZKIGKGAHEYOU-MTJSOVHGSA-N 379.372 4.396 30 40 GIEB COC(=O)c1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 408738739 NIUVRYIKPVQZBS-SXGWCWSVSA-N 386.860 4.327 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 12876828 DQUBYFKUBFHVEG-GTZAJCHHSA-N 387.520 4.479 30 40 GIEB biogenic C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OCC)cc1 11914089 JFCFSTMFSVFXQJ-QFIPXVFZSA-N 389.455 4.221 30 40 GIEB CC(C)(C)C1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 695704 HNSKSRGRCHFHDQ-UHFFFAOYSA-N 387.343 4.320 30 40 GIEB CN(C)c1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 12599987 VLQWHJQIOUMTNJ-UHFFFAOYSA-N 379.485 4.000 30 40 GIEB Cc1ccc(Nc2nc(N/N=C/c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1 4457713 WGNVTGLKHSSFPS-OEAKJJBVSA-N 398.474 4.172 30 40 GIEB COC(=O)c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(C)C2=O)cc1 4673512 NXVIAMVIUDIDRE-RTPPHFGYSA-N 380.469 4.324 30 40 GIEB C=C(C)Cc1c(OCC(=O)O)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 19701817 NWLWTKBTJPTWRO-UHFFFAOYSA-N 398.418 4.174 30 40 GIEB biogenic COc1cc(C#N)ccc1OC(=O)[C@H](C)Oc1ccc(C)cc1Br 40140835 MWXUSNGETXVYNW-LBPRGKRZSA-N 390.233 4.011 30 40 GIEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 729439 RQSVSQADLPEUCB-VQUVXCFPSA-N 390.483 4.480 30 40 GIEB Cc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 4076408 SIALNCCVAMHIOK-CTJICSLTSA-N 392.311 4.466 30 40 GIEB COc1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)cc1 4311525 GKGCNJXWXRQQAC-GFMRDNFCSA-N 396.406 4.293 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C#N)s2)cc1 6044407 YVGNPTPMWHDLQW-UHFFFAOYSA-N 387.515 4.254 30 40 GIEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1 8601794 GADXMYSZTWVBBK-UHFFFAOYSA-N 396.516 4.182 30 40 GIEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)cc1 9344698 KEWFZFXWPXMUFC-UHFFFAOYSA-N 389.455 4.164 30 40 GIEB CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccs2)cc1 10036995 GOXZLNRKQDELKF-LJQANCHMSA-N 383.517 4.231 30 40 GIEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 15808213 YAZXOHPXEDVIDG-AWEZNQCLSA-N 389.904 4.480 30 40 GIEB CCOC(=O)/C(=N/Nc1ncnc2ccccc12)c1cc(Cl)sc1Cl 38333749 ZGIZNLRSBMLTFD-FYJGNVAPSA-N 395.271 4.377 30 40 GIEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1OC 96234429 UDMHTUQXEGOOCD-UHFFFAOYSA-N 397.862 4.399 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N/OC(=O)Nc1ccc(Cl)c(Cl)c1 100149876 STURUUYZPBDENA-PXLXIMEGSA-N 391.214 4.321 30 40 GIEB COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)cc3)c(C#N)c(=N)n1CC2 101331210 JTOWPCDXSBFOPK-UHFFFAOYSA-N 391.858 4.400 30 40 GIEB Cc1ccc(NC(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1 225860611 SYEJGBSQWIIBJP-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccs1 4511896 DEGGCYUTKZPGBV-UDWIEESQSA-N 397.412 4.330 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)cc1 13127067 UQYVXKHOXAEXQJ-OPAMFIHVSA-N 386.455 4.011 30 40 GIEB Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3ccc(Cl)c(Cl)c3)cn2)n1 72054538 VEFGAUXHQMQPTK-UHFFFAOYSA-N 390.274 4.028 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)s2)cc1 103995997 WNHMQGPPHSQSIX-HRCADAONSA-N 384.530 4.467 30 40 GIEB N#CCn1c2nc(-c3ccccc3)c3c(c2c(=O)n1-c1ccccc1)CCCC3 170622729 HLWPIDGWMRCFLG-UHFFFAOYSA-N 380.451 4.257 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225061507 SGFKTPISYRXFSP-UHFFFAOYSA-N 382.441 4.438 30 40 GIEB CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409032547 JWAVTSAJCBAWCY-HCDFXORVSA-N 396.690 4.461 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 409335691 YOWJHPDVDXHRTK-QGOAFFKASA-N 387.526 4.241 30 40 GIEB Cc1ccc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 933879 WWCDFDZVEDPFPU-UHFFFAOYSA-N 376.485 4.212 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(O)cc1 1217269 ZRJAFDKDXDDHCH-NTEUORMPSA-N 375.247 4.046 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C(O)=NC1=S 1245062 BCLGTIOBQIBUFT-RVDMUPIBSA-N 384.482 4.392 30 40 GIEB COc1cc(O)c(Cc2cccc(O)c2O)c(O)c1C(=O)/C=C/c1ccccc1 3979627 WEHFIEZHFRETHH-ZHACJKMWSA-N 392.407 4.005 30 40 GIEB biogenic,in-vitro CCc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2Cl)cc1 4370718 FNOJZDJKTBHMRE-KEBDBYFISA-N 375.263 4.172 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC 4626471 QBJKGTWUOZKBMD-FOIQADDNSA-N 389.492 4.205 30 40 GIEB CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(C)C2=O)cc1 4682475 MXCQTVXCCCVMSX-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(O)c(OC)c1 5455910 NGBAPPCGSRAYFD-DHRITJCHSA-N 399.454 4.390 30 40 GIEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C(C)C)cc1 5862734 LXJQOAZTDGRTKC-MRXNPFEDSA-N 381.501 4.180 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2ccc(Cl)cc2Cl)cc1 6420314 RRVCZRYAHPVXOU-KRWDZBQOSA-N 379.195 4.295 30 40 GIEB N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(c2ccccc2)CC1 26580386 OGFNDYOPLJDWPJ-UHFFFAOYSA-N 394.862 4.105 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccs1)Nc1nonc1N2 40283750 BUGIKRMWCVTBOD-PIGZYNQJSA-N 382.420 4.250 30 40 GIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 224920011 PJAQTZTXAWDOAN-UHFFFAOYSA-N 388.233 4.109 30 40 GIEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1 409340651 AFWLRRKCMCNUHM-UHFFFAOYSA-N 392.846 4.045 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 1813765 NEYQAPJQNDUXTK-ATVHPVEESA-N 397.477 4.355 30 40 GIEB N#Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 4711129 PZZAFDCTPKVYKN-MRXNPFEDSA-N 391.406 4.159 30 40 GIEB COc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cn1 4739274 QMYTZYKXCDWDMH-FSJBWODESA-N 392.411 4.127 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 5047951 DPIGKKRECUWTFH-ODLFYWEKSA-N 391.335 4.258 30 40 GIEB Clc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 5945129 PIYMDRCWWTYSHX-UFWORHAWSA-N 381.654 4.263 30 40 GIEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)oc2C)cc1OC 7734678 JZPOVDBZXJWURF-IBGZPJMESA-N 399.487 4.291 30 40 GIEB CCOC(=O)[C@H]1CCCCN1C/C(O)=N/c1c(Cl)cccc1C(F)(F)F 12932547 IBSKSDZHSBTDEY-CYBMUJFWSA-N 392.805 4.364 30 40 GIEB O=C(C[C@@H]1S/C(=N\C2CCCCC2)NC1=O)Nc1ccc2ccccc2c1 12995492 IPNWIICKAIDZGD-SFHVURJKSA-N 381.501 4.089 30 40 GIEB CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 20849331 PPIYFMVBVWYMSE-GFMRDNFCSA-N 386.354 4.122 30 40 GIEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2csc3ccccc23)CC1 28620163 VCKHPMZGYZRYCK-UHFFFAOYSA-N 378.457 4.003 30 40 GIEB COc1ccc(CNc2cccc(Cn3cccn3)c2)cc1OCCCC#N 89465946 WBIQOGMYSUVHCK-UHFFFAOYSA-N 376.460 4.235 30 40 GIEB C=CCOc1ccc(NC(=O)c2cccc(I)c2)cc1 100448978 UWLVDLGTYVOMMY-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB C=CCc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1O 100765888 HIYJVQMRFXHXOQ-NHCUHLMSSA-N 379.500 4.144 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)c1 409000526 YOFIPQSXMZKMNS-HKWRFOASSA-N 375.424 4.129 30 40 GIEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Br 5529789 QPHSVOCEEFNTLB-XNTDXEJSSA-N 389.274 4.349 30 40 GIEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc(C)cc(C)n2)cc1 6672250 YGCQELGKQYCEAQ-ZVHZXABRSA-N 398.470 4.401 30 40 GIEB N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1Cl 9295492 HSSDJPAOQHNSFH-UHFFFAOYSA-N 382.670 4.100 30 40 GIEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1CC=CCC1 9482716 OSIKFLRVCQWUGW-QMHKHESXSA-N 394.515 4.460 30 40 GIEB N#Cc1cccc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 84363875 NTLHQGLVBCHOPH-UHFFFAOYSA-N 375.403 4.119 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(C(=O)O)cc1 13590118 GMPMWBLDTHKKBD-KHOFPDMRSA-N 380.469 4.053 30 40 GIEB Cc1ccc(OCCCSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 31773588 JOQYLLFSNPOHLG-UHFFFAOYSA-N 377.469 4.178 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)CC1=O 4385959 ULHGCSPYMWODOP-IBGZPJMESA-N 389.499 4.234 30 40 GIEB CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)c(C#N)c1C 5145231 IDBOBXJHPIUVKY-UHFFFAOYSA-N 378.453 4.439 30 40 GIEB Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 13551802 WIJHENCDNLUGRH-VFNWGFHPSA-N 388.423 4.352 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3csnn3)cc2)cc1OC 40157868 AALBCZAMIKFPEA-VZUCSPMQSA-N 393.468 4.430 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 823487 OQNBJGURKBWZES-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Cl)cc2)cc1 1064912 VSFONMYTVFFPRE-GOSISDBHSA-N 399.830 4.006 30 40 GIEB CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC#N 4613916 OFZCETYSZNRHSO-VBKFSLOCSA-N 395.846 4.447 30 40 GIEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccncc4)nn32)cc1 6046394 JVQCUCZMDHGFBG-HXUWFJFHSA-N 385.471 4.307 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CC1 12803062 WQNWPVNPVFLDOG-LLVKDONJSA-N 396.438 4.480 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc(F)ccc4[nH]3)s2)cc1 12890821 WKEMCDMYXXXKOC-UHFFFAOYSA-N 376.416 4.478 30 40 GIEB N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1 25061535 OYKZQLFYYWNCIO-FQEVSTJZSA-N 383.542 4.312 30 40 GIEB C/C(=N\Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)cc1 57341764 WDPXRLLVCSELFO-UFWORHAWSA-N 384.270 4.064 30 40 GIEB C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C 245204496 CHZJRGNDJLJLAW-IJEZIDCYSA-N 380.528 4.199 30 40 GIEB COc1ccccc1/C=C1/SC(=Nc2ccc(Cl)cc2[N+](=O)[O-])NC1=O 408755220 ZPMMBRHBVYSPMO-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)c#cc1OC(=O)c1ccco1 409066968 ILIQAKQTPQQDGI-BUVRLJJBSA-N 399.406 4.353 30 40 GIEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC(=O)O 409216339 HKJCOMNVSRNRQD-AWQFTUOYSA-N 392.249 4.289 30 40 GIEB COc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984108 ILNCFFSCFUSDST-UHFFFAOYSA-N 391.448 4.345 30 40 GIEB C=CCN1C(=S)SC(=O)/C1=C\c1cccc(OC(=O)c2ccccc2)c1 724199 KBILPEONCXPWPY-GHRIWEEISA-N 381.478 4.293 30 40 GIEB COc1ccccc1CN/N=C/c1cc(Br)ccc1OC(C)C 20762845 ANEYYQCWSGESHI-CIAFOILYSA-N 377.282 4.369 30 40 GIEB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 12603370 VYLUUNMZYRBWRU-UHFFFAOYSA-N 398.875 4.137 30 40 GIEB Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)c(Br)c1 21188732 LLIKPWLVVVRQBE-GIJQJNRQSA-N 389.278 4.266 30 40 GIEB COC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCN(C)C2 2292712 CTJSHNDZOQABEZ-IFRROFPPSA-N 399.299 4.286 30 40 GIEB Cc1ccc(CN(CC(=O)NC2(C#N)CCCC2)[C@H]2CCc3ccccc32)cc1 48303384 MOWGJVUHPHOSGM-QHCPKHFHSA-N 387.527 4.437 30 40 GIEB O=S(=O)(Oc1c(Cl)cc(Cl)cc1/C=N/O)c1ccc(Cl)cc1 409065263 IMEXZZJZRDPIHA-REZTVBANSA-N 380.636 4.223 30 40 GIEB COc1ccc(/C(C)=N/OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 13757676 XCGNSCVQZBPAQY-ZVHZXABRSA-N 397.500 4.277 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cccc(C)c1 4814646 OBOWLHDLJHAGJM-ZDUSSCGKSA-N 385.518 4.015 30 40 GIEB O=C(/C(=N\Nc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccccc1 16790449 WLEWDCXRZASZFF-LPYMAVHISA-N 399.166 4.231 30 40 GIEB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC#N 408902186 LOLGAMHHADWLOG-QGOAFFKASA-N 396.493 4.393 30 40 GIEB CCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 97944163 WYKDQOVHTKYAAW-UHFFFAOYSA-N 380.558 4.066 30 40 GIEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102802602 XUYAADNIPQGMBJ-MRJHHRETSA-N 387.410 4.448 30 40 GIEB N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 22409870 WRLCVRPMYGMSCT-RUZDIDTESA-N 393.446 4.119 30 40 GIEB C[C@]12CN(C(=O)COc3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@H]1CC[C@@]23C 101023505 SVEFWROYAQKXMX-JNPHEJMOSA-N 379.287 4.303 30 40 GIEB Cc1ccc(N/C(=N\OCc2c(C)ccc3ccccc23)c2nonc2N)cc1 13591068 PFIWREIIAKPJOA-UHFFFAOYSA-N 387.443 4.412 30 40 GIEB C/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1ccc2c(c1)OCO2 5781894 KURQMVWDFZBJFV-HOQTXEPBSA-N 377.878 4.073 30 40 GIEB C=CCn1c(SCc2ccccc2C#N)nnc1[C@@H]1COc2ccccc2O1 8394680 WQWDZGGGJDRPCJ-IBGZPJMESA-N 390.468 4.141 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]21C 4014902 UQWZWQYTKPEDAK-RMRNXIRCSA-N 380.484 4.403 30 40 GIEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3C)c(OC)c1OC 95117718 YIJNTIMMHJGOEY-KGLIPLIRSA-N 394.471 4.339 30 40 GIEB FC(F)(F)OC(F)(F)[C@](F)(Br)C(F)(F)Br 100045407 XBBIHHOYLHDMRA-SFOWXEAESA-N 375.835 4.164 30 40 GIEB C#CCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033349 XNMKUJYJOPITKW-AWEZNQCLSA-N 383.373 4.209 30 40 GIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 1098494 RTNCWMBGYRAAKS-YDZHTSKRSA-N 376.412 4.330 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(F)F 3211103 SNFMWDZMFWEEMU-KRWDZBQOSA-N 391.414 4.065 30 40 GIEB Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4945096 PFZIKKVOVIDYFJ-ORAYPTAESA-N 380.835 4.249 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8230168 WJLPNIOFNRLHBV-CQSZACIVSA-N 388.452 4.340 30 40 GIEB N#CCSc1ccccc1NC(=O)CNc1cccc(Br)c1 12526906 ZSHIRYJXRLQCEN-UHFFFAOYSA-N 376.279 4.115 30 40 GIEB Cc1nc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cs1 24037273 IVAZUCLNFKIYOF-BLLMUTORSA-N 378.832 4.444 30 40 GIEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 45916861 CMRYBNLTNFXVKZ-UHFFFAOYSA-N 384.464 4.004 30 40 GIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 108016790 NIDDTTQCXGUSAT-SSDVNMTOSA-N 391.924 4.054 30 40 GIEB COc1cc(/C=N\Nc2ccccn2)c([N+](=O)[O-])cc1OCc1ccccc1 408730108 NGHXEMVIPROQIG-XKZIYDEJSA-N 378.388 4.023 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(C(=O)O)cc2)cc1 408961403 SPKFFIUKBMYGOF-YDZHTSKRSA-N 375.380 4.413 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(F)c1 720012 OWSSRTRWFKPOJJ-FOPRYUNUSA-N 380.419 4.057 30 40 GIEB CCCOC(=O)CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCCC2 2027075 DKPQUOQFDWWEEJ-UHFFFAOYSA-N 382.485 4.250 30 40 GIEB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)N1CCCC[C@H]1CC 3188584 TYRWGHYOSYAQLG-OQCHKFKFSA-N 382.302 4.002 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCC 4062259 RXFOZMBQUDUXIP-OAQYLSRUSA-N 383.488 4.397 30 40 GIEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 4502111 GVMXVPUCXIBFAN-FYJGNVAPSA-N 393.896 4.083 30 40 GIEB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 6951545 JTPOMBFYRJLADS-ABSDTBQOSA-N 377.400 4.332 30 40 GIEB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 6951565 JTPOMBFYRJLADS-SQGPQFPESA-N 377.400 4.332 30 40 GIEB Cc1nc2scc(C)n2c1/C=N/NC(=S)Nc1ccccc1C(F)(F)F 7039887 OQHUFBLXKQVUTD-IFRROFPPSA-N 397.451 4.352 30 40 GIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1[C@@H](C)Oc1ccccc1 9095780 IIRFKABMGUYZCS-OAHLLOKOSA-N 392.484 4.285 30 40 GIEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9111983 LGUYZQCWXGPGLB-PKNBQFBNSA-N 393.351 4.214 30 40 GIEB N#Cc1ccccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 15362217 YMCJAINOZRNCGJ-GOSISDBHSA-N 386.523 4.018 30 40 GIEB CCc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)cc1 17084390 WWGIOSGQRAVNAM-COPMAWBXSA-N 395.528 4.456 30 40 GIEB C=CCOc1cc2c(cc1C/C=C\c1cc(OC)c(OC)c(OC)c1)OCO2 17175610 ZWWYNCJKLRIMJG-SREVYHEPSA-N 384.428 4.262 30 40 GIEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C(=O)O)cc1 35656602 CSXGSKBKNKXNIW-MSYUKONTSA-N 382.441 4.017 30 40 GIEB CC1=C/C(=N\C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)C(C)=CC1=O 100855697 KQIXEBNCFONTGQ-FOFZDOKDSA-N 392.480 4.047 30 40 GIEB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(CC#N)cc1 225686310 MSCVJXUSDZHXGL-SFHVURJKSA-N 381.501 4.350 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515203 HWJWRIGEYHTQTL-VAMGGRTRSA-N 389.904 4.135 30 40 GIEB Oc1ccc(C=Nn2c(-c3ccc(Cl)cc3Cl)n[nH]c2=S)cc1O 254704877 KYRCNKYXCCIVIO-UHFFFAOYSA-N 381.244 4.208 30 40 GIEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408870213 SFMKXHHQLDLVLJ-SSDVNMTOSA-N 379.464 4.208 30 40 GIEB COc1cccc(/C=N\c2ccccc2Br)c1O[C@H](C)C(=O)O 409233194 RSKGGDIVIXHPGT-XEQXHXIFSA-N 378.222 4.060 30 40 GIEB CCOc1ccc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1 907365 QBYGBANYOZKBHY-RDTXWAMCSA-N 383.517 4.292 30 40 GIEB C=CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 3295022 RENISCQWEIXKGJ-UHFFFAOYSA-N 390.940 4.279 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 4918733 DKBGDSOWCINPGB-QRWLVFNGSA-N 386.469 4.085 30 40 GIEB Cc1ccc(OC(=O)N2CCOCC2)c(C(=O)/C=C/c2ccccc2Cl)c1 5022114 UGEHJZANLDMEQE-BQYQJAHWSA-N 385.847 4.376 30 40 GIEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1 6295393 BDZLEDJXSZNZPX-FQEVSTJZSA-N 395.549 4.103 30 40 GIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 9420805 CNJXIXDVMFTINC-LRXPYSHVSA-N 391.423 4.125 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608472 JXXPFDRGZNECTR-PIGZYNQJSA-N 386.546 4.380 30 40 GIEB CCOc1ccc([C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 35366026 XEOYUMVCLDBUCV-VABKMULXSA-N 383.451 4.201 30 40 GIEB CC(C)c1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c2c1CCCC2 95117597 CPNAOAPDXFDHAO-UHFFFAOYSA-N 382.485 4.342 30 40 GIEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1C 408817805 MDJCFQNMMYMHCU-ZYAYQGAHSA-N 377.872 4.419 30 40 GIEB COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1ccc(C(=O)O)cc1 408967057 PQGLRYLIGXZDQM-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccccc1F 409086112 YLFBEQGBFXZKLE-WQRHYEAKSA-N 381.403 4.458 30 40 GIEB COc1cccc(CN(C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1OC 102142714 LCUKPXKZNVMCLH-HYARGMPZSA-N 394.515 4.016 30 40 GIEB CCc1nn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c(N)c1C#N 632454 CJDUSKDZAJQDLX-UHFFFAOYSA-N 382.427 4.138 30 40 GIEB COc1ccccc1/N=C1\NN=C(c2cn(CCC#N)c3ccccc23)CS1 24988258 AEWCYQIAUFPUOO-UHFFFAOYSA-N 389.484 4.292 30 40 GIEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C 20762558 IIEHAPWDARZUCQ-ZVHZXABRSA-N 392.459 4.443 30 40 GIEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 409326340 AOGRDQCSXXEGOL-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408872657 NONIWSIZXZGVEI-SSDVNMTOSA-N 379.464 4.208 30 40 GIEB N#Cc1ccccc1COc1cccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c1 589938236 KLCVFMBESVNMAX-ICSRJNTNSA-N 390.405 4.073 30 40 GIEB CCOc1ccc(OCC)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 20012978 IRCNKUXRSIWNQF-UHFFFAOYSA-N 379.416 4.300 30 40 GIEB COc1ccc([C@@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1OC 1715764 HELHITGEKNZWFZ-RBUKOAKNSA-N 390.501 4.444 30 40 GIEB O=C(N/C=N/O)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3125356 YMSBYEPYWWDKMQ-GFCCVEGCSA-N 392.164 4.073 30 40 GIEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(OC)cc2)C1=O 4703144 CTIUKIDVIMWUQN-DEDYPNTBSA-N 377.440 4.189 30 40 GIEB N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 8000863 OASMXVYSHPSWHN-FQEVSTJZSA-N 379.510 4.267 30 40 GIEB COc1ccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)cc1 12324471 ARNIMQBTGYIDFY-UHFFFAOYSA-N 399.450 4.135 30 40 GIEB N#CCCN(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S 25157400 YFHWCKIPLUAPSJ-UHFFFAOYSA-N 388.500 4.157 30 40 GIEB Cc1nc(-c2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cs1 32908844 MAOBZLPYSYFPME-UHFFFAOYSA-N 393.516 4.417 30 40 GIEB CCCCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O 100744788 GWUVWHWADWACSK-UHFFFAOYSA-N 387.520 4.238 30 40 GIEB biogenic C#CCn1/c(=N/C(=O)CSc2ccc(F)cc2)sc2cc(C)c(C)cc21 101074352 QXCBVVYYAKXPMY-XDOYNYLZSA-N 384.501 4.312 30 40 GIEB COc1cccc(C2CC(=O)C(=CNCCc3ccc(Cl)cc3)C(=O)C2)c1 102384694 SCBPKFLFFYYNMM-UHFFFAOYSA-N 383.875 4.080 30 40 GIEB CCCCc1ccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408755827 NGRLZXDVSCFFKZ-CSMVZQPBSA-N 393.512 4.104 30 40 GIEB CC[C@H](C)n1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409410129 ZFJRASXHWXHPBW-IDDQBOGZSA-N 375.472 4.062 30 40 GIEB C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2[C@@H]1CC(=O)[C@@H]2[C@H](C)OC(C)=O 2061001089 CFUPNMDNSQIWBB-VVOHGACWSA-N 390.520 4.260 30 40 GIEB Cc1ccc(-c2nc(C(=O)/C=C3\NCCc4cc5c(cc43)OCO5)cs2)cc1 5428952 ZNCVLUXVTOZAMW-YVLHZVERSA-N 390.464 4.217 30 40 GIEB C#CCOc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886267 XEGYEWJCNBTMOV-IBGZPJMESA-N 397.272 4.190 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 13646847 OQIYBZJUGJOBOL-ZDLGFXPLSA-N 397.477 4.386 30 40 GIEB N#CCC[C@H](C#N)CSc1nnc(COc2ccccc2Cl)n1C1CC1 15243274 TWSZYYCOXKDERC-CYBMUJFWSA-N 387.896 4.381 30 40 GIEB CN(C)c1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 104103347 VXLHVCSDFMYPPP-UUYOSTAYSA-N 390.984 4.173 30 40 GIEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409128268 DKEDBEBVKIWMNJ-GDNBJRDFSA-N 387.233 4.096 30 40 GIEB CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(OC)cc1 409244159 YSORSVOODSGRNT-KFBYJWCXSA-N 383.429 4.227 30 40 GIEB O=C(c1ccc(OCCN2CCCC2)cc1)C(F)(F)C(F)(F)C(F)(F)F 575359072 PRHLXWXTAIFBOC-UHFFFAOYSA-N 387.295 4.177 30 40 GIEB CN(C)N1C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 1422743 HYCNKMNVMIFTOH-AWEZNQCLSA-N 380.410 4.141 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 1440246 RTLPBYJEMADABF-FOPRYUNUSA-N 380.419 4.057 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1cccc(Cl)c1 2463567 WOYCLXTVDGXYDQ-HOCLYGCPSA-N 390.892 4.108 30 40 GIEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)CCC#N)nc2c1 2642628 NACZUKPJEJSJSJ-UHFFFAOYSA-N 391.496 4.375 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)c(C#N)c1C 2736443 FAIGZUGIKCPTFJ-DHZHZOJOSA-N 385.464 4.201 30 40 GIEB Brc1cccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1 4380205 WGBMOUZOLVZJLG-UDWIEESQSA-N 393.248 4.024 30 40 GIEB O=C(Nc1cccnc1)/C(=N/Nc1cccc(Cl)c1)C(=O)c1ccccc1 6550111 YYBMOPAVCFTSOV-XIEYBQDHSA-N 378.819 4.025 30 40 GIEB Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 12765177 GMKXOUSCNWTLIN-UHFFFAOYSA-N 389.550 4.373 30 40 GIEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 13940985 QSGCVHRZRGYWON-OCKHKDLRSA-N 379.272 4.431 30 40 GIEB CCCC/N=C1\S/C(=C2\C(=O)Nc3ccc(F)cc32)C(=O)N1CCCC 20265024 FTKKLEOVJWEQCC-FMLONXJGSA-N 375.469 4.021 30 40 GIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(F)c1 100815566 FCEYGQYMUCLAGU-VIZOYTHASA-N 375.783 4.383 30 40 GIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)SC1=S 210768383 JEOOYXULRLNCHU-BOPFTXTBSA-N 398.509 4.180 30 40 GIEB N#Cc1ccc(CN2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c(F)c1 1775973558 JXGFXNBOIXZQRR-HOTGVXAUSA-N 389.272 4.024 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 2503485 QDWOFFVXTAJJOG-IBGZPJMESA-N 398.528 4.364 30 40 GIEB O=C(N/C(=C/c1ccccc1F)C(=O)c1nc2ccccc2[nH]1)c1ccccc1 4853239 GLSYACGKDKJLRF-XSFVSMFZSA-N 385.398 4.356 30 40 GIEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 7586446 HFGGOFMVCNDHLP-FPYGCLRLSA-N 377.362 4.160 30 40 GIEB COc1cccc(/C=N\n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c1O 12465403 BOBCNMVCIDGRBG-MTJSOVHGSA-N 382.489 4.128 30 40 GIEB N#Cc1c(-c2ccccc2)nn2c1N=N[C@@H]2c1cc(-c2ccco2)nc(S)n1 16491828 ZEBVCFKCTBHEQR-SFHVURJKSA-N 385.412 4.405 30 40 GIEB C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 16856866 KCEVPFHWGGTSMX-UHFFFAOYSA-N 376.500 4.448 30 40 GIEB Oc1ccc(I)cc1/C=N/Nc1nc2ccccc2s1 59514293 NYKCHQPMJDAQQA-LZYBPNLTSA-N 395.225 4.053 30 40 GIEB COCc1cc(C)nc(SCC(=O)c2ccc(Br)cc2)c1C#N 59639567 GKLNVNKDFCORCG-UHFFFAOYSA-N 391.290 4.146 30 40 GIEB N#CCCSc1ccccc1NC(=O)c1cccc(CN2CCCC2=O)c1 95953573 JMDXUEJTTGJFSP-UHFFFAOYSA-N 379.485 4.067 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 102802982 RABNOOAYQARTNM-NHFXJNLRSA-N 388.398 4.155 30 40 GIEB COc1ccc(C2=C/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 1578441 DVYWVWBSGXZRMS-SILNSSARSA-N 399.450 4.310 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccoc1C 3504335 BACXNYOUEKPAAQ-UHFFFAOYSA-N 375.400 4.286 30 40 GIEB COc1ccc(C)cc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 4848879 UPYIXHHBRLNGEX-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB Cn1c(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)nc2ccccc21 5182928 SEOIMVZUKXVUFN-UHFFFAOYSA-N 396.450 4.082 30 40 GIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 8554730 ZBZLTWACQLNHDP-UHFFFAOYSA-N 386.451 4.434 30 40 GIEB N#Cc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1 9877934 ULADLUFOBZAQMY-UHFFFAOYSA-N 389.528 4.417 30 40 GIEB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(/C(C)=N/O)cc1OC 12362666 PYOHLHVVJWGAPE-ZMOGYAJESA-N 396.443 4.058 30 40 GIEB biogenic,in-vitro C=CCn1c(Sc2nccc(C(F)(F)F)n2)nnc1-c1ccccc1OC 13012636 WTNKLECUZAUUDT-UHFFFAOYSA-N 393.394 4.100 30 40 GIEB CCOC(=O)c1ccc(C#N)c(SCc2nc(-c3cccs3)oc2C)n1 14200246 UPHBEXKIMFSSEW-UHFFFAOYSA-N 385.470 4.447 30 40 GIEB Cc1cc(N(CCC#N)C(=O)COc2ccc3ccc(=O)oc3c2)ccc1Cl 31640363 ZHSYABXILZKRCZ-UHFFFAOYSA-N 396.830 4.081 30 40 GIEB C=CCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc2c(s1)CCCC2 32833337 CRLWRZOQEYLFHS-UHFFFAOYSA-N 382.464 4.180 30 40 GIEB C[C@H](OC(=O)Cc1ccccc1CC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95997411 JWDROUBAQCBSMH-LPHOPBHVSA-N 386.492 4.016 30 40 GIEB CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)c3[nH]c4ccccc4n3c2=O)cc1 408609858 SGAWMOVWKVTNIH-UHFFFAOYSA-N 384.439 4.202 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)cc1 408741692 KPWZGTPSJBTCBP-FSJBWODESA-N 392.411 4.035 30 40 GIEB C=CCn1c(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 408807643 DBQFWUYKLDVJHP-UDWIEESQSA-N 379.376 4.398 30 40 GIEB C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OC)c1O 408959917 AKEFUOPWDRRXEU-LDADJPATSA-N 380.469 4.329 30 40 GIEB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 3247193 NQVMSGIXYMIHOJ-ZSNJSTEGSA-N 397.474 4.402 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1C 3535456 PFKAIFVLRGMHNN-GOSISDBHSA-N 389.550 4.045 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[n+]1ccccc1 4293012 JCXKLDMPWBYJSG-AMKJHPCNSA-N 394.579 4.483 30 40 GIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 5868871 HWVJNEOLJAEDCX-INIZCTEOSA-N 381.501 4.227 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(C[C@@H](C)CC2=O)N1 20059008 NVJWXTVQUNWOPT-PEBXRYMYSA-N 387.483 4.243 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)on2)c(C#N)c1C 36686025 BLYRNBLAUIBBLN-UHFFFAOYSA-N 381.413 4.012 30 40 GIEB N#Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)sc2c1CCCCC2 84388134 FRVKGKCCTQGPEJ-UHFFFAOYSA-N 379.485 4.268 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C 257348530 GRLKBPPYPIEWDD-GJQNDEOKSA-N 384.516 4.431 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1 408730174 FXOUCBDPVLDJQD-NRFANRHFSA-N 399.406 4.243 30 40 GIEB CCCCCCCCCC[N+](C)(C)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105961717 OVWOYCLCRNLBGT-UWHLTILDSA-N 375.577 4.011 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 24830553 QYMQRWBXQGPKDW-OAQYLSRUSA-N 398.462 4.170 30 40 GIEB NC(=O)c1c(/N=C/C(Br)=C/c2ccccc2)sc2c1CCC2 108594396 GTHTXRHUXCREDH-IEVHIFFYSA-N 375.291 4.474 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1F)c1c(nn(-c3ccccc3)c1O)N2 8381726 FHQDEABWTJJNLZ-SFHVURJKSA-N 375.403 4.282 30 40 GIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)O)cc1 408909229 FUDUYDIFLKIRKW-MTJSOVHGSA-N 378.388 4.147 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c1C 5209580 JTUMFGRRABCRQQ-UHFFFAOYSA-N 380.517 4.370 30 40 GIEB CCOc1ccccc1[C@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 4450369 GBJWABJKOOVKKW-XPWALMASSA-N 383.451 4.076 30 40 GIEB C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1ccc(OCCCCC(=O)O)cc1 65500633 LMXLINGYDQZGLO-CCEZHUSRSA-N 382.412 4.305 30 40 GIEB C=CCc1cc(/C=N/O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 409073187 XYYLMHBUXFNQLN-UDWIEESQSA-N 395.864 4.043 30 40 GIEB N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(-c2ccccc2)n1 7886330 MFODRBWZOHPSJN-QFIPXVFZSA-N 383.455 4.193 30 40 GIEB COc1cccc(-c2noc(CSc3nc4ccccc4n3CCC#N)n2)c1 7986723 QSBBYOOVLHTVIK-UHFFFAOYSA-N 391.456 4.301 30 40 GIEB C[C@@H](OC(=O)Cc1ccccc1CC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 95997414 JWDROUBAQCBSMH-VQIMIIECSA-N 386.492 4.016 30 40 GIEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2 408588484 BQJZGZZERSIOOM-SSDVNMTOSA-N 393.399 4.282 30 40 GIEB Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(Cc1ccccn1)CO2 32501363 RRCRDIGLLQWRPE-GRSHGNNSSA-N 390.464 4.420 30 40 GIEB N#CC1(N2CCOCC2)[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 257173130 DKJWIUXWEIZLOP-ZJZGAYNASA-N 387.527 4.083 30 40 GIEB Cc1ccc(C(=O)O/N=C2\C(=O)N(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 3170613 LMYYLZRPQRWXME-DAFNUICNSA-N 398.418 4.052 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)c1cccs1 5142422 MZGROUUDMQBKAZ-YVLHZVERSA-N 393.376 4.492 30 40 GIEB Cc1cc(C)c(C#N)c(SCC#CCSc2nc(C)cc(C)c2C#N)n1 1578477 QYAAIGUVWVRBAV-UHFFFAOYSA-N 378.526 4.341 30 40 GIEB CCCCCCCNC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1 1787431 CPRYTYDOGPNQTR-UHFFFAOYSA-N 378.472 4.496 30 40 GIEB Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)N(CCC#N)c1ccccc1 4501113 AIWGJNUEZAWVHH-QGZVFWFLSA-N 391.500 4.003 30 40 GIEB CCOC(=O)c1sc(/N=C/c2c(C)nn(-c3ccccc3)c2O)c(C#N)c1C 6547846 DHYZWZYVJBCMRR-SSDVNMTOSA-N 394.456 4.055 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F 7652627 VXPVXROURNEGHA-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#Cc1c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)sc2c1CCC2 12999472 YPNVQVADGPLIKZ-UHFFFAOYSA-N 399.479 4.154 30 40 GIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(F)(F)F)C1 14924246 CFMKXUUFCOZBSA-QWHCGFSZSA-N 399.482 4.490 30 40 GIEB COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(C#N)cc2)c(OC)c1 15981632 PZVWSLFBWYNLKF-WNAAXNPUSA-N 397.434 4.183 30 40 GIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 20647113 JPCIVNHKGXFJMJ-GRSHGNNSSA-N 376.437 4.111 30 40 GIEB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 20955962 SBUVUANKUQBARP-QFIPXVFZSA-N 377.488 4.169 30 40 GIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(Cc1ccncc1)CO2 32501367 JDAURVOFKYDRAO-NHDPSOOVSA-N 384.435 4.358 30 40 GIEB C=CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 39556421 ZPLBTBUHDJGINI-DEDYPNTBSA-N 389.430 4.216 30 40 GIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218425182 HZJXTKDOBHYSHP-FDFHNCONSA-N 383.513 4.044 30 40 GIEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN5CCCC5=O)cc4)OCC[C@]3(C2)[C@@H]1C 257284746 PECOILNRHGYAMK-XXHXRFKQSA-N 381.516 4.368 30 40 GIEB CC[C@@H](C)Oc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 408601271 JNOKINXWGWWBAM-CHOFVFFHSA-N 381.501 4.396 30 40 GIEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408737638 FMRVAWIOWLKZIW-BOPFTXTBSA-N 383.860 4.442 30 40 GIEB N#Cc1c(NC(=O)CSc2ncnc3ccccc23)sc2c1CCCC2 3244972 FZTSSQBWECGHOW-UHFFFAOYSA-N 380.498 4.173 30 40 GIEB Cc1cn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c(=O)n1-c1cccc(C#N)c1 48290307 ZKELQGIUPYMCIO-OAQYLSRUSA-N 392.478 4.293 30 40 GIEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCCCCC)c(C)nc21 2408891 DPZBNPIEFVKMDZ-UHFFFAOYSA-N 375.476 4.369 30 40 GIEB CC(C)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 17079539 ZHXQKJKNUAWJKA-UHFFFAOYSA-N 389.531 4.251 30 40 GIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 20761336 JSIZMAQRVVJALQ-OEAKJJBVSA-N 391.427 4.306 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Br)c3)S2)cc1 408526991 AGSYZCZHAAQDNV-DHDCSXOGSA-N 389.274 4.355 30 40 GIEB CCOc1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 408848054 XXOFYVNVGLAGNA-UNOMPAQXSA-N 379.254 4.028 30 40 GIEB N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cccc3ccccc23)CC1 5682059 HXNIABKVFJBOFC-UHFFFAOYSA-N 376.481 4.086 30 40 GIEB CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 19973809 IDVFFMBMKMKCIO-UHFFFAOYSA-N 381.472 4.185 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC 4626472 QBJKGTWUOZKBMD-MGPUTAFESA-N 389.492 4.205 30 40 GIEB COc1ccc(C(=O)/C(=C/Nc2ccccc2OC)C(=O)C(F)(F)F)cc1 100862403 SHUZEQFAWNJRBH-KAMYIIQDSA-N 379.334 4.014 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1cccc(OCc2ccccc2)c1 6053345 DJVRCVROTCDSOB-NRFANRHFSA-N 376.456 4.263 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 6476887 HTLZWEMLNLSJEA-UHFFFAOYSA-N 378.501 4.094 30 40 GIEB CC(C)Cc1nnc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)s1 103131275 CWBDFOJJCIEHDG-AGYYIJPOSA-N 397.529 4.452 30 40 GIEB CC(C)c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 35671209 ZGSGZARBPCTCQR-UHFFFAOYSA-N 381.411 4.243 30 40 GIEB N#Cc1c(NC(=O)c2ccco2)n(-c2ccccc2)c2nc3ccccc3nc12 2280056 RWFRDJLMGIFCOA-UHFFFAOYSA-N 379.379 4.291 30 40 GIEB CCCCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2380133 QAUJHLSMYHPLJP-UHFFFAOYSA-N 398.507 4.330 30 40 GIEB Cc1nnc(S)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611092 CYOJEOVTFAFPKI-CNHKJKLMSA-N 383.260 4.236 30 40 GIEB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccc(C#N)cc2)CC1 36722741 FBMJXYGTVZQPEF-INIZCTEOSA-N 395.457 4.182 30 40 GIEB COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 12912003 RSSSAOOONNFMGY-UHFFFAOYSA-N 396.443 4.101 30 40 GIEB N#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1 4091211 PIXIUWGHQCDQMS-UHFFFAOYSA-N 396.855 4.297 30 40 GIEB O=C1Nc2ccc(Br)cc2/C1=N/Nc1cccc(C(F)(F)F)c1 5671287 LKIOQZNGGIUFQK-UHFFFAOYSA-N 384.155 4.236 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2)cc1 16741475 NQBBTTKQLYFSBC-FQEVSTJZSA-N 377.440 4.240 30 40 GIEB CCN1C(=O)/C(=C\c2cc(O)ccc2[N+](=O)[O-])S/C1=N/c1ccc(F)cc1 409228818 FOZQVSPFFDBDKN-WOLOTKMDSA-N 387.392 4.063 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1cccc(C(=O)O)c1 210585392 XGIXRNALBZJHOY-OUYOUGTCSA-N 382.441 4.017 30 40 GIEB C=CCSc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 223003066 JWNWBQZJSPMKSF-CQSZACIVSA-N 388.562 4.300 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 19959946 ZEWGGEKHVIAYLJ-VBKZILBWSA-N 392.484 4.317 30 40 GIEB C=CCn1c(C)cc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C 2663730 DFGZKGQECQTWAS-UHFFFAOYSA-N 391.254 4.077 30 40 GIEB CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C 1364246 AXYXIZUUXIVTKN-UHFFFAOYSA-N 377.539 4.092 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1cccs1)C3=O)CN(Cc1ccncc1)CO2 57172639 UFZUVAUGIWWOCH-VXLYETTFSA-N 390.464 4.420 30 40 GIEB COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CC(C)(C)N2C)cc1 62001554 OLXZEFKZIMWLGJ-UHFFFAOYSA-N 381.472 4.203 30 40 GIEB biogenic COc1ccc(Cl)cc1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N 10279547 JMJVFEFBKWFTPR-UHFFFAOYSA-N 383.835 4.185 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 2487290 FCOCIHLGGZYFBV-KBXCAEBGSA-N 398.528 4.362 30 40 GIEB COc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc1O 48532266 DZNLZSYACAQABD-WQLSENKSSA-N 375.218 4.212 30 40 GIEB CCOc1cccc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O 4687590 VCPAAOWFRXDNTQ-SSDVNMTOSA-N 397.353 4.249 30 40 GIEB Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2)c1 7109711 ANAAKCUQVOTASL-UHFFFAOYSA-O 392.460 4.242 30 40 GIEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCC#N 408907719 PATJEAZBPBIRID-DNLCFCFBSA-N 393.468 4.140 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 39556296 PJHQKNOBLITVST-XDHOZWIPSA-N 391.858 4.422 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\CCc2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 5278907 UNLWEJKWIIVZIR-RELWKKBWSA-N 391.387 4.347 30 40 GIEB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(N)=O)c1C#N 898738 SAVFGVGNYNWDNK-UHFFFAOYSA-N 389.480 4.182 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 1896283 DAENUGXBZCCKJH-UHFFFAOYSA-N 386.527 4.234 30 40 GIEB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccc(C)c1 3386211 UKBBEYZFLIAUEN-OAHLLOKOSA-N 391.500 4.264 30 40 GIEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)S2)cc1 6320074 UANUZLHQSFRTDG-CPNJWEJPSA-N 397.475 4.326 30 40 GIEB CC1=C(C(=O)/C=C/c2ccc(N(C)C)cc2)[C@H](c2ccccc2)NC(=O)N1C 12324389 MGUSQTUZCATBIP-GLBTYYSXSA-N 375.472 4.005 30 40 GIEB N#Cc1ccc(N2CCC(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)nc1 23100756 KLXSDKFEDYGCEL-UHFFFAOYSA-N 390.487 4.130 30 40 GIEB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)c1 27789301 CHAVHPYBYAMSMG-UHFFFAOYSA-N 390.468 4.063 30 40 GIEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 28629528 BAOKZHJPPNVFEF-LJQANCHMSA-N 388.398 4.312 30 40 GIEB C=CCc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(OCC)c1O 136627519 WWKQIEPCBQXAPF-NNKJPTEXSA-N 386.498 4.394 30 40 GIEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc12 408723103 NBVUKPUPFCXGOU-HHYLNOLLSA-N 380.447 4.442 30 40 GIEB CC(C)(C)C1CCC(=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 6298129 BCWFIJWYQWFVDN-UHFFFAOYSA-N 385.560 4.076 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)cc1 20762541 RWCDTJMOBAKKIH-MFKUBSTISA-N 391.471 4.013 30 40 GIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2298211 RMSJCLRLKWRBNI-UHFFFAOYSA-N 399.429 4.171 30 40 GIEB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 2225699 ALFCGJCDQVFSTG-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)N1CCOCC1 2437905 HUXSHJDYUBEMLO-OAQYLSRUSA-N 384.476 4.250 30 40 GIEB C=CCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 12793263 CEZYOAQGIGEFRP-NRFANRHFSA-N 392.499 4.204 30 40 GIEB Cc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)cc1 4457705 IYQLAMIKDXTRMQ-OEAKJJBVSA-N 398.474 4.172 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccccn2)C1=O 4688357 XXGDVPLIRCFOBC-PTNGSMBKSA-N 386.860 4.279 30 40 GIEB O=[N+]([O-])c1cccc(/C=C/C(O)=N/c2nc3nccc(-c4ccccc4)n3n2)c1 17147177 KRZAIZDAFMJBOK-MDZDMXLPSA-N 386.371 4.001 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C)cc1 2443333 UMHAEJJPQOMSIP-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C/c2ccccc2C(=O)O)cc1 2706398 BZEUSBPPZWVLJS-CIAFOILYSA-N 380.473 4.112 30 40 GIEB CC(=O)S[C@@H]1CC(=O)C=C2CC[C@H]3[C@H]4CCC(=O)O[C@]4(C)CC[C@H]3[C@]21C 4429075 LKDYVUDIVKQQJE-IJJWSBNOSA-N 376.518 4.072 30 40 GIEB C=CCn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O 8993570 MNLUREFBOZRGBW-UHFFFAOYSA-N 393.468 4.304 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1 9156251 AXQWMSWFSCBKJN-MRXNPFEDSA-N 391.418 4.393 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 13208053 CDRYZIFEGZNNHL-OAQYLSRUSA-N 393.483 4.343 30 40 GIEB Cc1ccc([C@H](CNc2oc(-c3ccccc3)nc2C#N)N2CCOCC2)cc1 27793519 DNTVFTBZUAFFNU-NRFANRHFSA-N 388.471 4.007 30 40 GIEB COc1ccc(Cl)cc1C1=NOC(=O)/C1=C\c1ccc(Br)cc1 101662356 TYYCFCRLWMZNNO-ZSOIEALJSA-N 392.636 4.456 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 225778919 QRUNZDCGBSHPFP-UHFFFAOYSA-N 384.863 4.297 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369266 AKMGOLMVBIBATQ-WHNUOXDASA-N 382.548 4.386 30 40 GIEB O=C1NC(=N/N=C/c2ccc(Br)cc2)S/C1=C\c1ccccc1 408718259 PVEBOMOOXRRUDE-WWJULTAPSA-N 386.274 4.043 30 40 GIEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409093230 YGTQKNHKGVYHLW-STZFKDTASA-N 399.402 4.308 30 40 GIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2cccnc2)CC(=O)O3)C1=O 1081801490 FEIHRQSTXZRGQD-MLHZQLSASA-N 399.402 4.147 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc(OC)c1OC 21624677 WOZWLZDYPPYNAE-HXUWFJFHSA-N 381.472 4.418 30 40 GIEB COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 33362587 LQPLQKVUNNXXMT-KRLZMICPSA-N 389.480 4.314 30 40 GIEB C=CC/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 103371556 DGSIKKWUFJEECJ-BXWSFNFDSA-N 395.459 4.096 30 40 GIEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3)n2)c1 662117 JSMMUZXNASLPAF-UHFFFAOYSA-N 375.453 4.360 30 40 GIEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(Br)cc2)cc1[N+](=O)[O-] 101662183 PXEHPALPWHMNKK-ZSOIEALJSA-N 387.189 4.010 30 40 GIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2356210 CMCYGWALKHYOTQ-UHFFFAOYSA-N 385.471 4.371 30 40 GIEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 36612383 DDFDIEMVQXBBGX-HXUWFJFHSA-N 389.407 4.380 30 40 GIEB COc1cc(/C=C/C(=O)OCc2ccccc2C(F)(F)F)ccc1OCC#N 4319045 JIQTWLWUYJBVEN-VQHVLOKHSA-N 391.345 4.373 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 4704663 DYQWDPPDKJITIQ-UDWIEESQSA-N 390.439 4.498 30 40 GIEB CC(=O)Nc1sc(N/N=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 4980858 RFMVPGMELHFDBG-RGVLZGJSSA-N 395.444 4.431 30 40 GIEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(C)(C)C)sc3C)cc21 19820211 AYSNSUBEUXFLSC-UHFFFAOYSA-N 385.489 4.015 30 40 GIEB N#CCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 22979504 LFPGTEIBGKLWPS-UHFFFAOYSA-N 377.425 4.155 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)N1CC 408930859 CYGDSYCQPWPGHW-UCEMORSKSA-N 384.457 4.045 30 40 GIEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N1CC 5552155 IQXMVYAFXOMAOT-KRICTJEJSA-N 385.445 4.475 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccccc1Cl 5499636 WHGWEQJJQQJEJV-CYBMUJFWSA-N 387.892 4.286 30 40 GIEB CC[C@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O 33833943 LJUJZTYMRBJWDZ-GNDHJNITSA-N 395.455 4.451 30 40 GIEB biogenic N#CC1(c2ccccc2)CCC(NC[C@H](c2cccs2)N2CCOCC2)CC1 23257251 CBWMJYXOERUMJT-WQMHRJNTSA-N 395.572 4.115 30 40 GIEB CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccsc2)cc1 46088331 DXGGTAMSYRWNJJ-FQEVSTJZSA-N 383.517 4.231 30 40 GIEB COc1ccccc1NC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C 838411 QRKSWGKMASDQGL-UHFFFAOYSA-N 381.413 4.034 30 40 GIEB CCOc1cccc2c1C(=O)c1cccc(OCC)c1[C@@]2(O)C#Cc1ccccc1 1564288 ZGWAOYYZEBJPFW-AREMUKBSSA-N 398.458 4.316 30 40 GIEB Cc1ccc(C)c2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)cc12 4849187 UWTITBJQPXFWJW-UHFFFAOYSA-N 390.464 4.470 30 40 GIEB COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1 12662861 SIZZROCTOJCKNG-JAIQZWGSSA-N 392.363 4.132 30 40 GIEB biogenic N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(Cl)c1Cl 3448265 LVPIVUDSVWWJFB-SNAWJCMRSA-N 381.240 4.122 30 40 GIEB O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1 5174079 GCJNBBIVDFARRF-AERZKKPOSA-N 376.241 4.056 30 40 GIEB CC(C)(C)COc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409345740 NJPZVHQUBCJFSD-UHFFFAOYSA-N 385.851 4.063 30 40 GIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2)c1=O 4667431 JJVWKLSBJPZHBQ-IZZDOVSWSA-N 388.261 4.146 30 40 GIEB Cc1ccccc1/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S1 5533732 GPZNAFMLFHHHPV-INIZCTEOSA-N 387.892 4.205 30 40 GIEB C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)COc1ccc(C#N)cc1 95413200 JNKPNXAYYGHASC-GFCCVEGCSA-N 375.255 4.390 30 40 GIEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(F)cc1 408744061 YMOQZEZOOQMDGH-FOKLQQMPSA-N 396.378 4.163 30 40 GIEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc2ccccc2c1 225049091 XQWPLZLEGIUTDD-UHFFFAOYSA-N 395.480 4.398 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(OC)cc1 97466945 AKBISYOMKSJXCF-UMWYYCSLSA-N 384.457 4.033 30 40 GIEB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccc(C#N)cn1 585113709 RESPANDVRYKVMM-IBGZPJMESA-N 389.377 4.089 30 40 GIEB O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 1162674 PZNMLJIQGSBDRM-OXVFXORMSA-N 397.474 4.136 30 40 GIEB C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 4098867 BSNZFQANPMIOIU-WZBMPAQFSA-N 386.624 4.122 30 40 GIEB in-vitro O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769184 BRGCQOHAKVPIIK-MGNBDDOMSA-N 384.411 4.034 30 40 GIEB O=C(O)c1ccc(N/N=C/c2c(Cl)ncn2-c2ccc(Cl)cc2)cc1 40150502 BZAQWBWCCJQRKS-ZVBGSRNCSA-N 375.215 4.323 30 40 GIEB C=CCn1c(SCC(=O)c2cc(C)c(OC)cc2C)nnc1-c1ccncc1 32579496 JCZQZTWUMOKLBL-UHFFFAOYSA-N 394.500 4.127 30 40 GIEB C=CCOc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 8104392 ZTAMMLYSJPXJJS-UHFFFAOYSA-N 376.250 4.340 30 40 GIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1ccc(F)cc1 13550124 SMRFYLNIQUDDIT-QJOMJCCJSA-N 379.420 4.140 30 40 GIEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1 36300190 XSDBJAWXNHDIEZ-LSFURLLWSA-N 391.412 4.418 30 40 GIEB C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2NC1=O 40089597 OBQKBUDHOCUBEY-ZYHUDNBSSA-N 379.466 4.219 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 103087455 DRWSTFAXQYVFTO-LFVOPCPISA-N 383.419 4.056 30 40 GIEB Oc1c(Cl)cc(Br)cc1/C=N\c1ccc(N2CCOCC2)cc1 107142665 MQEGMSPGABXAMS-JAIQZWGSSA-N 395.684 4.395 30 40 GIEB NC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408889650 IKZUULCTGHLTEH-IFRROFPPSA-N 388.707 4.393 30 40 GIEB Cc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 409046046 IDECHNAUASSXRH-BUVXCIDJSA-N 392.458 4.221 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1 917551 IMOKCFZZLYFPRM-UHFFFAOYSA-N 391.452 4.048 30 40 GIEB COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc1OC 2319989 MEQPDWLVZOTSHO-DJKKODMXSA-N 384.288 4.331 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)n1nc(-c3cccc(Cl)c3)nc1N2 4279854 BJFVUHCICJZWFF-IBGZPJMESA-N 392.846 4.326 30 40 GIEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1COc1ccccn1 4785786 UUPMMUMYGVNJKL-LPYMAVHISA-N 378.388 4.023 30 40 GIEB O=C1/C(=N\O)c2ccccc2N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5770839 HXQBGUZUYLSCJN-OYKKKHCWSA-N 388.267 4.449 30 40 GIEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2C#N)cc1 7803823 MTOBQEQYJCHUKC-UHFFFAOYSA-N 376.437 4.391 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1 8336194 IDXRJOOFDLNAKY-ZVHZXABRSA-N 389.455 4.334 30 40 GIEB O=C1/C(=C/c2ccccc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419245 ABOSIGDDZHWNAQ-MOSHPQCFSA-N 378.405 4.071 30 40 GIEB CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccc(F)cc2Cl)c1C#N 20218984 JAPHNKQEZNOVDR-BRJLIKDPSA-N 397.841 4.153 30 40 GIEB CC(=O)Nc1ccc(/C(C)=N/OCc2cc(Cl)c3c(c2)OCCCO3)cc1 22195465 RTKRJARWCCJBEN-YDZHTSKRSA-N 388.851 4.401 30 40 GIEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(-c3ccc(C)cc3)nn21 32912773 DMWPSCGURJXGBG-NRFANRHFSA-N 386.455 4.284 30 40 GIEB CCc1ccc2nc(NCCCNC(=O)c3c(F)cccc3F)c(C#N)cc2c1 35311722 BMRJUGGHQWOYJV-UHFFFAOYSA-N 394.425 4.179 30 40 GIEB CC(C)(C)OC(=O)N1[C@@H](C#N)CCC12CCN(C(=O)OCc1ccccc1)CC2 95829446 QBJSHXZRTPYLTA-GOSISDBHSA-N 399.491 4.081 30 40 GIEB N#C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 596661955 FTKNTXGNKBWXBW-PWSUYJOCSA-N 375.778 4.485 30 40 GIEB CCOC1(OCC)[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)C1(OCC)OCC 721492 IYANXZHYUMRWIC-QGZVFWFLSA-N 392.883 4.009 30 40 GIEB COc1ccc2cc(/C(C)=N/NC(=S)Nc3ccccc3[N+](=O)[O-])ccc2c1 7780460 CWPYPDNEIGXPHY-LPYMAVHISA-N 394.456 4.467 30 40 GIEB CCOC(=O)COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196990 RENSQTRWMRAFFD-UFFVCSGVSA-N 381.259 4.059 30 40 GIEB CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C#N)cc1 102960744 NIPRKVRLIJIGLP-CXEWRVRCSA-N 398.438 4.492 30 40 GIEB CC(=O)OC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(C)=O)[C@@H]3CC[C@H]2C1=O 118931513 ARFVBIQCDSDJCU-NXFOENBRSA-N 388.504 4.197 30 40 GIEB CCCC[C@@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 18086435 IWYLPXNBDRALDH-NRTINQSCSA-N 388.514 4.197 30 40 GIEB O=C1N/C(=N\N=C\[C@H]2CC=CCC2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5157007 DCLVSAKJMCKMTK-QKMILONBSA-N 395.500 4.474 30 40 GIEB C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 5214339 GRYHSJNMADRUOA-CNPYVQQSSA-N 375.856 4.033 30 40 GIEB NC(=S)N/N=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 4511905 BQJUHZXIAJXACW-LFVJCYFKSA-N 397.544 4.359 30 40 GIEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1 409235249 ZFPZUPCABGBOHM-HKOYGPOVSA-N 379.504 4.273 30 40 GIEB CSc1ccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1 5595712 DHLWBLSQZAGRTH-UDWIEESQSA-N 392.513 4.228 30 40 GIEB C[C@@H](Nc1nc2nonc2nc1N/N=C/c1c[nH]c2ccccc12)c1ccccc1 98086412 PMLRSLKLESYMHL-GHONEHJGSA-N 398.430 4.113 30 40 GIEB Cc1ccc(/C=N/N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 409046051 IDECHNAUASSXRH-OFVUKNBWSA-N 392.458 4.221 30 40 GIEB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCOCC2)c1 225772594 HOONCHUWUFPJHX-UHFFFAOYSA-N 378.472 4.341 30 40 GIEB CC(C)(C)OC(=O)N[C@@H]1CCCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 696592038 BJGKKKJZEAHJFP-GOSISDBHSA-N 387.329 4.278 30 40 GIEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C(=O)O)cc1 5741175 YPDPXIDLSHIALM-UHFFFAOYSA-N 389.436 4.049 30 40 GIEB CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 4699733 JMADXLJUGXISQL-UHFFFAOYSA-N 399.541 4.414 30 40 GIEB C=CCOc1ccc(/C=C2\SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1 5551316 OSCNFXDLOLXSKO-UNOMPAQXSA-N 396.468 4.351 30 40 GIEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1ccc(C#N)cc1 12553275 ZMZIIUMCCXFLJU-FQEVSTJZSA-N 391.496 4.058 30 40 GIEB C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(C)cc1 13945467 PHFHKBJBDRYUGB-UHFFFAOYSA-N 392.528 4.303 30 40 GIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 19867103 YECVJGFDPDWYFK-NRFANRHFSA-N 379.481 4.459 30 40 GIEB CC(C)CSc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)s1 24848520 GKUVYWCPRVMGLZ-UHFFFAOYSA-N 384.596 4.063 30 40 GIEB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 59461565 KMAIVAYGPDPURG-FHCFDDPISA-N 375.472 4.187 30 40 GIEB CCOc1ccc(C(C)=O)cc1COC(=O)C(=C\c1ccccc1)/N=C(\C)O 82068039 BKQKABLTEVRWPC-UDWIEESQSA-N 381.428 4.349 30 40 GIEB C/C(=C\C(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)N(C)C 91695666 ZYFSNLBOZCJDHC-JLHYYAGUSA-N 377.410 4.482 30 40 GIEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 408721212 MMFGMNQBPBHIII-DHDCSXOGSA-N 389.820 4.148 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccco1 813896 RAPZNBHFQBJWGD-UHFFFAOYSA-N 388.880 4.417 30 40 GIEB N#Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1507450 UGHZSQPKUDJOSM-UHFFFAOYSA-N 384.804 4.496 30 40 GIEB Cc1ccc(C)c(-n2ccnc2SCC(=O)N(CCC#N)Cc2ccco2)c1 8013071 VRKCNAHGAJOVGJ-UHFFFAOYSA-N 394.500 4.117 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 8022463 SEVASIYDGDUISY-HXUWFJFHSA-N 397.446 4.219 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 8367112 SSTPWHODQIAOTD-OAQYLSRUSA-N 381.479 4.230 30 40 GIEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2 18219441 BJXAUTYNWKEAGR-JLTOFOAXSA-N 392.846 4.053 30 40 GIEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19498925 YWQOJOKOQWCKJS-QFIPXVFZSA-N 390.527 4.088 30 40 GIEB C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 27664646 ZGQVFUGNQPGCDY-UHFFFAOYSA-N 397.456 4.039 30 40 GIEB N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 79105310 RWCJAQBSVWGIEP-UHFFFAOYSA-N 383.448 4.033 30 40 GIEB C=CCSc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 219809044 MHLNDSLWKKZPTP-UHFFFAOYSA-N 387.457 4.021 30 40 GIEB CCOC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515204 HWJWRIGEYHTQTL-XUVXKRRUSA-N 389.904 4.135 30 40 GIEB COc1ccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cn1 408543740 SQIXVNHDPSZLBZ-YVNNLAQVSA-N 375.384 4.135 30 40 GIEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3)o1)[C@H]1C=C[C@H]2C12CC2 408728490 NHXLWODGGKBSKX-QKMOMTBNSA-N 392.842 4.131 30 40 GIEB CC(=O)Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409302590 GMICDYKWJBTRIT-UHFFFAOYSA-N 389.455 4.252 30 40 GIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 11916898 QWIRQXQRGPUNJM-UHFFFAOYSA-N 376.438 4.171 30 40 GIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44858841 UTZCXZCVTIKXFA-QFIPXVFZSA-N 398.466 4.466 30 40 GIEB CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 58304947 FQUKCGCGKMCFPE-INIZCTEOSA-N 385.537 4.135 30 40 GIEB Oc1ccc(Br)cc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 6925701 URBPEWSAQXPQTE-LRNAUUFOSA-N 381.098 4.296 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(C)cc1 408912734 RDUXMJWNJZBWSG-DLTWUOELSA-N 380.469 4.406 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)ccc1OC 97104880 AJMBZEDJAUXCQF-DENIHFKCSA-N 398.430 4.162 30 40 GIEB C(=N\N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 13633096 KVDVAWBLDPOQCG-XHPQRKPJSA-N 385.511 4.417 30 40 GIEB COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1OCC(C)C 8338231 HHYZTLKMVJZXBK-SRZZPIQSSA-N 375.469 4.190 30 40 GIEB Cc1cc(C)n(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)n1 9336543 ZXZFTEUMTKROGM-UHFFFAOYSA-N 390.512 4.343 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC 4626473 QBJKGTWUOZKBMD-QRWLVFNGSA-N 389.492 4.205 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 4934693 ZDGAPVBAKDJXBQ-LXYRJJAWSA-N 399.491 4.469 30 40 GIEB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 2478953 XSKJYWPKWQXGJV-DEOSSOPVSA-N 390.483 4.095 30 40 GIEB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 3229297 YLJBIVWOZMXECF-HNNXBMFYSA-N 399.450 4.027 30 40 GIEB CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4285236 UDJPOCRWGIDSFH-NRFANRHFSA-N 397.515 4.043 30 40 GIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 4331382 LILMYBZXRRAFTE-CQSZACIVSA-N 384.480 4.120 30 40 GIEB CC(=O)/N=C1\NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)S1 4501720 CVNKVODGPZJCDC-YVLHZVERSA-N 386.860 4.025 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5332689 CSPJBSCWOUVTJU-UHFFFAOYSA-N 399.476 4.083 30 40 GIEB CSc1c(C#N)c(N)nc2c(/N=N/c3ccc(Cl)cc3Cl)c(N)nn12 6182754 SBGXWQURZBASGO-QURGRASLSA-N 393.263 4.209 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)Nc1nonc1N2 12409831 NJACRGHMINFQHK-DIFFPNOSSA-N 382.420 4.250 30 40 GIEB Cc1ccc(C(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1C 32907517 FVGYXLRZZPZGOE-UHFFFAOYSA-N 388.492 4.133 30 40 GIEB C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC 54702548 YYOGJERXSWNXAS-QFIPXVFZSA-N 387.439 4.426 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102482281 JCEZZFXGOIMEDA-NHFXJNLRSA-N 389.382 4.158 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 102862688 FARLBYTXFWXWTA-YDJIHCHBSA-N 393.483 4.052 30 40 GIEB Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(Br)cc1)C3=O 1064895 MFXBMUZIJSVTMM-DHDCSXOGSA-N 383.197 4.480 30 40 GIEB CCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 100243443 SCRODJGEPLVOTK-HYARGMPZSA-N 381.457 4.032 30 40 GIEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 2103792 XQTYFIYLTSVWRT-UUYOSTAYSA-N 390.391 4.475 30 40 GIEB biogenic CCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SCC)nn32)cc1 22608499 IGQBDBMCSQHFRU-SGTLLEGYSA-N 384.505 4.057 30 40 GIEB C=CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2318631 LNYMHXZEEPJNOI-UHFFFAOYSA-N 378.819 4.152 30 40 GIEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 36834960 OJSIFRFKJIZEFC-MDWZMJQESA-N 388.471 4.357 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4285237 UDJPOCRWGIDSFH-OAQYLSRUSA-N 397.515 4.043 30 40 GIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 4331387 FMSBVRVKRRKQKO-OAHLLOKOSA-N 380.517 4.290 30 40 GIEB CC1=CC(C)(C)N2C(=O)/C(=N\N=c3/[nH]c4ccccc4s3)c3cc(C)cc1c32 4715679 NADRJCYQOVMEDA-MOHJPFBDSA-N 388.496 4.385 30 40 GIEB O=C1C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)C(=O)c2ccccc21 409139073 MBOUXDRRIABNTI-UHFFFAOYSA-N 398.462 4.116 30 40 GIEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OC 409042218 BWEXYAKMHLXMIY-NYAPKIOYSA-N 388.283 4.146 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2cc(C)ccc2C)cc1OCC 33621341 GTWXTNBOMCZKEN-UCQKPKSFSA-N 384.476 4.480 30 40 GIEB C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(CC)cc4c3C)cc21 32593372 VWUVFYAPWSKKIQ-UHFFFAOYSA-N 390.439 4.467 30 40 GIEB C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2sc(C)c(C)c2c1=O 53414930 BRZAGXGHVIXTGZ-LLVKDONJSA-N 388.518 4.375 30 40 GIEB C#Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 72285052 HWRJZEPYRCFOLB-LJQANCHMSA-N 387.405 4.083 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 5186417 JRVRNBYUKIAXTL-VUUXHMSQSA-N 390.442 4.129 30 40 GIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1 5376711 YHSRSBBLRCOQPG-UKTHLTGXSA-N 377.263 4.496 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccs2)n2ncc(C#N)c2N1 101470002 RQMIMVPDLHSENO-LJQANCHMSA-N 389.484 4.361 30 40 GIEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 2098894 DJSUEAYDHOIVQC-NDENLUEZSA-N 376.364 4.432 30 40 GIEB biogenic CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)cc1 3565260 DPUBETLVSBZATB-AWEZNQCLSA-N 389.484 4.163 30 40 GIEB Cc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)oc2ccccc12 5310751 CSVBRKGSSOGMCF-INIZCTEOSA-N 376.412 4.233 30 40 GIEB Brc1cc(/C=N/Nc2nncc3ccccc23)oc1Br 5777440 VWJIDDSRRLPYAW-REZTVBANSA-N 396.042 4.194 30 40 GIEB CC(C)(C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 6906173 WUODUMAKUQNXIW-KRWDZBQOSA-N 397.500 4.194 30 40 GIEB COCCCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 8654619 HWMGPZBIVIRASJ-UHFFFAOYSA-N 387.823 4.487 30 40 GIEB CCCCSc1nnc(SCCC(=O)Nc2ccc(C#N)cc2)s1 12753104 AJWRTMCYKWXMKY-UHFFFAOYSA-N 378.548 4.423 30 40 GIEB N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1 12809759 BPADVPPWFMMAPK-UHFFFAOYSA-N 387.508 4.245 30 40 GIEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2C(=O)O)ccc1O 33607288 CKRVKTGWCJCIJQ-YDZHTSKRSA-N 387.395 4.164 30 40 GIEB COc1ccc(OC)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 101472506 SGZVBZZVIIRHEQ-UHFFFAOYSA-N 384.194 4.355 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cccc(C(=O)O)c2)cc1 197478230 OUZPSJZJAVNVKE-YDZHTSKRSA-N 375.380 4.413 30 40 GIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218406212 DTDQJTKBBHTPNA-SLFFLAALSA-N 389.904 4.135 30 40 GIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21 223753760 CVNXPHIJVOSCSB-XLNRJJMWSA-N 375.856 4.066 30 40 GIEB C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S 409339988 OBHAPYYIUFEFCK-LCYFTJDESA-N 384.320 4.235 30 40 GIEB CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 801608 YRGMNLDVSIICHW-LJQANCHMSA-N 393.395 4.050 30 40 GIEB CCN(CC)c1ccc(/C=N/n2cnnc2)c(OCc2ccc(Cl)cc2)c1 1065214 WKZDOOKPDBOIQL-WYMPLXKRSA-N 383.883 4.239 30 40 GIEB C=CCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2224450 BDPVFUBQCAKODS-UHFFFAOYSA-N 396.809 4.291 30 40 GIEB CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(N)OC2=C1C(=O)CCC2 4655596 WIUGTCUKXJBYKW-LJQANCHMSA-N 399.487 4.108 30 40 GIEB N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 6231209 PZSPWCHMWOHODK-UHFFFAOYSA-N 390.826 4.460 30 40 GIEB COc1ccc(-c2nc(COc3ccc(C#N)cc3OC)cs2)cc1OC 12796185 OVZIQYGUYQAUOA-UHFFFAOYSA-N 382.441 4.287 30 40 GIEB COc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 13060627 QLYGTFLHLWERNF-UHFFFAOYSA-N 397.544 4.358 30 40 GIEB O=C1N/C(=N\N=C\c2ccccc2F)S[C@@H]1Cc1cccc(C(F)(F)F)c1 18209012 OOOKRUWVXUFODH-GQLBNTDBSA-N 395.381 4.009 30 40 GIEB Cc1oc(-c2ccccc2)nc1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 24986095 GCXVCESIDMUGAG-UHFFFAOYSA-N 398.384 4.379 30 40 GIEB COc1cc(/C=N\Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 32227848 ZPCNIQYOILKRAP-UCQKPKSFSA-N 376.412 4.418 30 40 GIEB CNc1ccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] 36832184 VPECAOAXGLGRNM-VZUCSPMQSA-N 382.420 4.063 30 40 GIEB Cc1ccc2c(Nc3cccc(C#N)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005428 CCVLARPMFZPBLJ-UHFFFAOYSA-N 385.471 4.426 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409127646 FBDRFAHQIXQKAW-PXLXIMEGSA-N 384.435 4.498 30 40 GIEB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409241463 XRFUOQJRPWZYKU-PXLXIMEGSA-N 396.446 4.253 30 40 GIEB C#CCOc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409298385 ZFZYRGIKJHOMGC-UHFFFAOYSA-N 385.467 4.338 30 40 GIEB COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1 4880859 NIKQJGYEANXGOL-UHFFFAOYSA-N 379.441 4.414 30 40 GIEB O=C(N=C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5445340 GRQKXRCHBWXJKN-UHFFFAOYSA-N 375.340 4.181 30 40 GIEB N#CCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 6064804 XCOUEMSDRRUYKD-VQHVLOKHSA-N 389.238 4.107 30 40 GIEB O=C1/C(=C/c2sc(N3CCOCC3)nc2-c2ccccc2)Cc2ccccc21 7742106 HZZSQDHZLJELFU-OBGWFSINSA-N 388.492 4.469 30 40 GIEB CC[C@@H]1CCc2sc(C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)cc2C1 7779919 ZTANFLFFKPNQJN-TZMCWYRMSA-N 388.514 4.061 30 40 GIEB COc1ccc(-n2c(SC[C@H](C)C#N)nnc2-c2cccc(OC)c2)cc1 7988723 BAHOELMCLKEGHN-CQSZACIVSA-N 380.473 4.203 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(Br)cc1 12347861 VSENXBILTYKMCQ-CYBMUJFWSA-N 388.265 4.078 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1Cl 12552327 RRSGVRSGJKCCSB-UHFFFAOYSA-N 377.787 4.295 30 40 GIEB N#Cc1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(F)c1 13296623 BHWHUQKLPSNZOV-UHFFFAOYSA-N 379.395 4.258 30 40 GIEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC 18272423 DRSXQNIMICRCFU-CPNJWEJPSA-N 396.443 4.128 30 40 GIEB C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1OC 36359349 TUIOGRYAENWTHQ-QGZVFWFLSA-N 391.402 4.156 30 40 GIEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 95533047 PXLSRJKJVODEMP-GBESFXJTSA-N 394.600 4.478 30 40 GIEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc2ccccc2c1 225065475 LJQAHVGLXSQGCP-UHFFFAOYSA-N 395.480 4.398 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(OC)c(OCC)c2)C1=O 409098184 OCKFSDWKHIJSEK-UKTHLTGXSA-N 398.278 4.079 30 40 GIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(OC)c1 936292 HKIJCANYMUHNHC-PPGNKHEKSA-N 382.485 4.414 30 40 GIEB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc2c1 1354526 JATXIZADFPHPHD-CQSZACIVSA-N 389.480 4.185 30 40 GIEB C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 3413843 KPLJRAWCNXJELZ-DOMZBBRYSA-N 389.546 4.115 30 40 GIEB N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1 3851770 NPKLNEYFRAZXIW-DZGCQCFKSA-N 395.212 4.197 30 40 GIEB biogenic C=CCNC(=S)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 4511107 SWJOLGLPILAURX-BUVRLJJBSA-N 375.497 4.403 30 40 GIEB CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 4793378 REUWFXKETNTBIX-UHFFFAOYSA-N 382.489 4.106 30 40 GIEB COc1cccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1OC 4944949 XIJMXMURPNKDLS-QGZVFWFLSA-N 395.430 4.371 30 40 GIEB N#CCCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc21 12550185 UUEGDANZPOPRTR-UHFFFAOYSA-N 384.892 4.012 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 17029149 OHKQPIVUEOADSO-MPBGBICISA-N 392.846 4.053 30 40 GIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2c1C 24825335 FTBYYPTUHJZWOM-VMPITWQZSA-N 382.397 4.196 30 40 GIEB CC[C@H](/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 48513999 MHTGTBPPMXKGGK-HNNXBMFYSA-N 396.390 4.416 30 40 GIEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(OC)nc3)c3ccccc32)o1 409394292 YDLPDNPWBBDRCS-KSEXSDGBSA-N 389.411 4.223 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 907332 WEUNXLWEWCUSIQ-UHFFFAOYSA-N 381.432 4.375 30 40 GIEB CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 29939456 ZSNQPQCGHNBTOG-OAQYLSRUSA-N 381.545 4.332 30 40 GIEB COc1cc(/C=N/Nc2ccc(Cl)cc2)c(Br)cc1OCC#N 6490525 VMAORMRFMODHEN-KEBDBYFISA-N 394.656 4.459 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2ccsc2c1=O 12635365 MESZPRXVHFYJBA-GFCCVEGCSA-N 386.498 4.016 30 40 GIEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(C)c1 21961272 PUTNKKXVJYIFEG-UHFFFAOYSA-N 390.512 4.121 30 40 GIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1[C@@H](C)CCC[C@H]1C 3178896 JFNMGPBKLXHVGL-BBKIPHGLSA-N 382.302 4.001 30 40 GIEB O=C1/C(=C/c2ccccc2Br)Oc2cc(OC(=O)C3CC3)ccc21 13768604 ASRQKIWZYGNFOS-MFOYZWKCSA-N 385.213 4.381 30 40 GIEB CCOC(=O)c1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 1735468 SPNVFEHFXXCDQX-UHFFFAOYSA-N 391.452 4.353 30 40 GIEB C=CCc1ccccc1OCCCn1c(CN2CCOCC2)nc2ccccc21 21785156 AQIFJIFWRSQBBB-UHFFFAOYSA-N 391.515 4.066 30 40 GIEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)c(C)c1 59248641 SCOVLXODMDLQMZ-JVVDOCDTSA-N 396.468 4.047 30 40 GIEB Cc1nc2c(c(-c3ccccc3F)c1C(=O)OCCC#N)C(=O)c1ccccc1-2 2051182 CYIDCZVGYPAUBY-UHFFFAOYSA-N 386.382 4.478 30 40 GIEB CC(C)C(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4032052 RIECVISGVCOPBP-CQSZACIVSA-N 394.755 4.379 30 40 GIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 4616761 KEVFMKLVUYCJIL-VFOOBRQFSA-N 387.892 4.320 30 40 GIEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 20196187 ZKKGHEJYJYODAM-AFUMVMLFSA-N 381.451 4.374 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 409170113 UCDWTBSIGIAVRE-PXNMLYILSA-N 399.815 4.356 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 5446279 MBCZJNFOAJRFJN-TZIWHRDSSA-N 391.467 4.061 30 40 GIEB CCN(CC)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1Br 5736556 GPFDGTOHYQATGH-RGVLZGJSSA-N 387.281 4.216 30 40 GIEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 20533300 IHYSBQWWZLPYAX-UHFFFAOYSA-N 399.454 4.175 30 40 GIEB CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/C)O)[C@@H]2c2ccc(Cl)cc2)cc1 101152709 PVPLRUMKDASFJZ-FSEPTYSPSA-N 399.830 4.006 30 40 GIEB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccc(F)cc1 1851106 UAABFXYFOFIKCH-NTEUORMPSA-N 377.238 4.480 30 40 GIEB CCCOC(=O)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1 2431893 LOZQDALLPDECRT-UHFFFAOYSA-N 379.368 4.054 30 40 GIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(C)cc1 4919722 VLLQKPYFNZJKMZ-AUSIDOKSSA-N 394.467 4.332 30 40 GIEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 5864605 AGFSWDFJVGEBTR-INIZCTEOSA-N 393.512 4.249 30 40 GIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 6813928 SXISQEIHNVJFLS-PKOBYXMFSA-N 397.858 4.097 30 40 GIEB CCOc1c(Br)cc(C(=O)OCc2ccc(C#N)cc2)cc1OC 7537201 DHVZUECFJVRGGM-UHFFFAOYSA-N 390.233 4.085 30 40 GIEB N#Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 8787851 BOWHDIXVBIFCQW-UHFFFAOYSA-N 397.463 4.176 30 40 GIEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 18199887 ANPMYMRRPFXHEC-QFIPXVFZSA-N 399.450 4.474 30 40 GIEB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960072 ZZCVUJNKRRELCH-QFYYESIMSA-N 384.486 4.070 30 40 GIEB CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc1C 22717819 SPNOGGIGFVRFIR-ZDUSSCGKSA-N 393.468 4.283 30 40 GIEB CCN1CCN([C@@H](c2cccs2)[C@@H](C)/N=C(\S)NC2CCCCC2)CC1 22785088 FHZWVYZVDJZMJA-VQIMIIECSA-N 394.654 4.023 30 40 GIEB COc1ccccc1-c1noc(C2CCN(c3oc(C(C)C)nc3C#N)CC2)n1 80345317 DOABCHMVUSRLMC-UHFFFAOYSA-N 393.447 4.112 30 40 GIEB C[C@H](C#N)Oc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1 96002241 VITZSEBNURYKDX-LLVKDONJSA-N 377.213 4.060 30 40 GIEB C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)Cn1cccn1 105040409 MRZZUZXWICAZLY-MRXNPFEDSA-N 375.432 4.005 30 40 GIEB Cc1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)o1 409294856 NCRUJPUEPVUWQV-UHFFFAOYSA-N 388.265 4.240 30 40 GIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] 825647 RHTZPXRYLCVXOY-GOSISDBHSA-N 398.459 4.152 30 40 GIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 3286847 HWZDJTGRVXSOCF-UHFFFAOYSA-N 399.497 4.333 30 40 GIEB Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(Br)c1 4075187 KYJJGBDDGJHUOS-UHFFFAOYSA-N 390.306 4.372 30 40 GIEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4194158 GHYBVHDJMHODHH-HNNXBMFYSA-N 381.501 4.001 30 40 GIEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 4694927 YSLBMKUWERXFQD-HYARGMPZSA-N 391.383 4.269 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4C)nc3c2[C@H]1c1ccco1 5347061 AHWSHFYYFOVSLQ-SFHVURJKSA-N 386.411 4.080 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 6477983 QFPPEWABECVXLE-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB Cn1c(N/N=C/c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 7343325 QTZWWCOJPGPMIX-MFKUBSTISA-N 381.439 4.470 30 40 GIEB CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCC/C2=N\Nc2ccccc2)N1O 7787368 ADHBXXMCNQLVJS-LCMCWVSWSA-N 384.505 4.269 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 18195060 IGIKKNSJZOKOHO-JOCHJYFZSA-N 387.483 4.251 30 40 GIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccn1)Nc1nonc1N2 20717456 KWKVRDJQYOZDLC-SGTLLEGYSA-N 393.834 4.098 30 40 GIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccccc21 20721921 GBOGVVWHRBJTNW-DEOSSOPVSA-N 398.466 4.300 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1C 193405515 FPQQTRMGGOTBQM-FUHWJXTLSA-N 384.549 4.227 30 40 GIEB Cc1ccc(-c2nnc(S)n2N=Cc2c(C)nn(-c3ccccc3)c2C)cc1 254487054 NYFOBOBWRDHYHW-UHFFFAOYSA-N 388.500 4.227 30 40 GIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N\NC(=S)Nc3ccccc3)cc2)nc1 409211142 MVIYDIWWGWBBAG-MTJSOVHGSA-N 393.428 4.103 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N/c1ccc(OC)cc1 409233583 GMZQWHXGUIFCPT-UBIDFSEFSA-N 398.484 4.336 30 40 GIEB CS(=O)(=O)OCCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2509762 DMDKUUBCBOPAQB-UHFFFAOYSA-N 375.273 4.091 30 40 GIEB in-vitro COc1ccc(-c2nnc(S)n2/N=C\c2cccc(Cl)c2Cl)cc1 4679978 CIDAKVVBHFQRLI-OCKHKDLRSA-N 379.272 4.431 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(F)c1 103002784 OWSSRTRWFKPOJJ-OPURJYLOSA-N 380.419 4.057 30 40 GIEB CCCCCCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)OCC)C1=O 100925269 MFXQINILXNOJCK-TZIWHRDSSA-N 387.520 4.459 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 12322099 FSVDPPQTJOQUNN-SFHVURJKSA-N 397.406 4.237 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1 33776734 QDEINCFRUMQRIC-UNMCSNQZSA-N 380.440 4.023 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1c1ccccc1 1079963 IMFKAJVJQYZBAB-NQIIRXRSSA-N 394.427 4.135 30 40 GIEB N#Cc1c(Cl)cccc1N1CCN(CCOc2ccc(Cl)cc2)CC1 57369393 VYWFKQNDWHLRJD-UHFFFAOYSA-N 376.287 4.066 30 40 GIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1 24671998 FDRJYBSRRWYJQK-OAQYLSRUSA-N 386.536 4.263 30 40 GIEB CC(C)[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc2c(c1)OCCO2 58251675 IOJBGBGFBFPQIV-FQEVSTJZSA-N 396.491 4.405 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OCC 6439909 XKQNSZIMMVWSRG-OFNKIYASSA-N 394.467 4.413 30 40 GIEB O=C(O)c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1 409031459 GUJMGKUGQRSYDX-FINSYCMTSA-N 398.234 4.359 30 40 GIEB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccc(C#N)cc2)C=C1C 30882385 KECYXFXLEPKNLR-ACRUOGEOSA-N 382.504 4.096 30 40 GIEB biogenic,in-vitro CC(C)Cn1cnc2c(c1=N)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 101114647 XVOQPRAQPKJQKM-GOSISDBHSA-N 377.488 4.186 30 40 GIEB C#CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 20808055 UOAUAVHTMKVVHY-QGZVFWFLSA-N 377.831 4.216 30 40 GIEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2sc3ccccc3c2s1 102104150 CJMRDYZEFMRMCY-GFCCVEGCSA-N 377.450 4.472 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccncc1 2631954 DWWMTBGOBGFMNL-UHFFFAOYSA-N 376.894 4.216 30 40 GIEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC(=O)O)n2)cc1 796132 DKGPIROMWUBORI-UHFFFAOYSA-N 382.363 4.214 30 40 GIEB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 58171228 QRRVMBVYTZTQTB-GFCCVEGCSA-N 396.541 4.350 30 40 GIEB C#CCOc1ccc(C(=O)N(CC)Cc2nc(-c3ccccc3Cl)no2)cc1 12654913 CJOHQFORSAZDNR-UHFFFAOYSA-N 395.846 4.064 30 40 GIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1OC 5164010 INQOSZVLZMPAFG-ZVBGSRNCSA-N 399.325 4.085 30 40 GIEB N=C1NN(c2ccccc2)C(=N)/C1=N/Nc1ccc(Cl)c(C(F)(F)F)c1 4477474 YLSHRBUGULVCPH-KQXXEMQBSA-N 380.761 4.106 30 40 GIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](C)Oc1ccccc1 6758069 SLEYFTHGBDSJAN-HNNXBMFYSA-N 397.862 4.372 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@@H]1CCCN21 5903474 YJIXINHNAUQTTF-XUZZJYLKSA-N 394.482 4.044 30 40 GIEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cccc3ccccc23)S1 409087111 GILFUCPNPLYCIT-LGMDPLHJSA-N 395.480 4.188 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1c2ccccc2cc2ccccc12 408872206 BBQKUOPRSPNSMM-MAMHMVEESA-N 392.458 4.380 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)ccc1OC 97104879 AJMBZEDJAUXCQF-UGKGYDQZSA-N 398.430 4.162 30 40 GIEB CC(C)(C)CC(C)(C)/N=C(\S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13683867 ZSGCTUMDAMNFNC-UHFFFAOYSA-N 391.581 4.034 30 40 GIEB CC(=O)/C(=C\c1c(C)nn(-c2ccccc2)c1O)c1nc(-c2ccccc2)no1 19626838 NBEAPNYNZXXCFN-CPNJWEJPSA-N 386.411 4.066 30 40 GIEB C[C@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)c(F)c1F 21191893 NQMZXCWNOLJTQJ-FZXGFWIVSA-N 388.292 4.083 30 40 GIEB COc1ccc2nc(SCC(=O)N3CCCc4ccccc43)c(C#N)cc2c1 917559 YOWRXMKRNADYIY-UHFFFAOYSA-N 389.480 4.187 30 40 GIEB CCOc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 6595676 CNQCVFKPZONGOH-LFVJCYFKSA-N 384.439 4.230 30 40 GIEB C(=N/n1cnnc1)\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 842737 HOQIMPJBLDQTAF-VULFUBBASA-N 384.439 4.318 30 40 GIEB C=CCc1cc(OC)ccc1OCC(=O)Nc1cc(OC)c(Cl)cc1OC 24984258 YBQKQSNCZSASPC-UHFFFAOYSA-N 391.851 4.112 30 40 GIEB C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 3667671 SVPMKEKBGSBJCC-VBKFSLOCSA-N 376.909 4.295 30 40 GIEB COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccco3)c(OC)c1)C2=O 4478783 DDMKTDOBBMDAFM-JAIQZWGSSA-N 392.363 4.132 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 4492828 HDCFFNYLOGGTSQ-CYBMUJFWSA-N 382.445 4.250 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1 408999562 UWONHEWNLHGJSH-ZHZULCJRSA-N 393.414 4.268 30 40 GIEB COc1cc2c(c(OC)c1)[C@@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 18200753 ZDWVAQCQTQSDRO-FQEVSTJZSA-N 395.455 4.286 30 40 GIEB C[C@@H](c1ccccn1)N(CC(=O)Nc1sccc1C#N)Cc1ccccc1 95456007 QKIIQRKMZGCREL-INIZCTEOSA-N 376.485 4.217 30 40 GIEB COCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408931779 QDSSPADHWDFULL-PTPABZONSA-N 397.456 4.235 30 40 GIEB CCOc1ccc2nc(SCC(=O)c3cccc(OC)c3)c(C#N)cc2c1 35289108 PHPVATWJVZRBMZ-UHFFFAOYSA-N 378.453 4.489 30 40 GIEB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 36286040 KNONFVJMISTVFL-NJDAHSKKSA-N 375.378 4.081 30 40 GIEB C=CCn1c(N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)nc2ccccc21 12116493 HWMQAIVRWDBUQP-GOSISDBHSA-N 388.515 4.316 30 40 GIEB C[C@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCC2 1102473 FCIOKRPXKFICSS-JTQLQIEISA-N 391.290 4.277 30 40 GIEB CN(C)c1ccc(/C=[N+](\[O-])[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 3667109 IJQPZUJJXOQMLE-YPFLROGLSA-N 399.585 4.320 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 5409041 JYSTTYUZXWSDLJ-IIBYNOLFSA-N 393.483 4.078 30 40 GIEB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C#N)c(C)c1 25455083 GDNNPSUMXLMOAY-INIZCTEOSA-N 396.516 4.324 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608475 JXXPFDRGZNECTR-DIFFPNOSSA-N 386.546 4.380 30 40 GIEB N#Cc1c(NC(=O)CSc2ccc3c(c2)OCCO3)sc2c1CCCC2 6889292 HDPZDTUPMFASBR-UHFFFAOYSA-N 386.498 4.001 30 40 GIEB CCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(C)=O 68454605 JEXLNBIEEULRGN-OAHLLOKOSA-N 378.259 4.390 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(Sc3nc4ccc(C)cc4[nH]3)o2)C1=O 409049250 VYSZMDZIYMKINA-XNTDXEJSSA-N 395.465 4.285 30 40 GIEB CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 5025756 SZWSCHASVIKEHC-ZJPYXAASSA-N 394.519 4.309 30 40 GIEB CCCCCOc1ccc(C(=O)/C(C)=[N+](\[O-])C/C(=N/O)c2ccccc2)cc1 13102267 IXBWJUGUZGQTNI-ZSZRHJLVSA-N 382.460 4.288 30 40 GIEB C#CCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OCC 7165636 DMHOCUFVUFKVEY-RGEXLXHISA-N 378.453 4.180 30 40 GIEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(F)cc2Br)c1 51318572 WZFNXNAOONHRMM-BQYQJAHWSA-N 380.213 4.414 30 40 GIEB COC(=O)c1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)sc2c1CCCC2 830502 QKVILXHYHOPHMC-UFWORHAWSA-N 394.836 4.431 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2cccs2)C1=O 4688349 YDKQHNOKQLJOLW-RVDMUPIBSA-N 387.482 4.300 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(C)c1 5478402 NNSOUFVJOONDOR-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(C#N)c1 6335399 FGRHWRDMZYCCBS-UHFFFAOYSA-N 380.835 4.312 30 40 GIEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(OC)cc2OC)NC1=O 7275308 HJRSSCXBZZTLQI-UNOMPAQXSA-N 396.468 4.160 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21123993 ZRFYZCMMEDFFJW-CQSZACIVSA-N 382.304 4.157 30 40 GIEB C[C@H](c1ccc(F)c(F)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 29713384 FHYSSCOTHPGCTN-CZUORRHYSA-N 392.409 4.195 30 40 GIEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2ncccc2c1=O 31615033 SOZYSXPXYYGSAC-UHFFFAOYSA-N 377.391 4.289 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 102798472 WCOJINXZTNTBJT-NHFXJNLRSA-N 391.398 4.349 30 40 GIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(OC)c(OC)cc3C)S2)cc1 408549683 WYDVPOFIAHSRCI-UNOMPAQXSA-N 382.485 4.466 30 40 GIEB COC(=O)c1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 408878264 ZEGFUAPHDUNRFX-YBEGLDIGSA-N 386.860 4.327 30 40 GIEB C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 2640989 BIKICENMBBVBJR-NSHDSACASA-N 375.375 4.409 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 6869781 ILBCMPVRTIQAPK-RGEXLXHISA-N 381.501 4.433 30 40 GIEB CC(=O)NCCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 8428832 ZGMNJAJRHAWQDL-UHFFFAOYSA-N 398.462 4.166 30 40 GIEB C=CCOc1ccc(C(=O)NCc2ccc(CN(CC)CC)cc2)cc1OC 12971517 YYKNWDYUXYCKHH-UHFFFAOYSA-N 382.504 4.032 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCC 4066495 JMEOGJMLTKWQAU-OAQYLSRUSA-N 381.472 4.173 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265787 TVDJKDSTBJAALB-LJQANCHMSA-N 392.411 4.230 30 40 GIEB Cc1ccc(N/C=C(\C(=O)c2ccccc2)c2nnnn2-c2ccccc2)cc1 4406295 GIDDTDQNDAIAQJ-LTGZKZEYSA-N 381.439 4.307 30 40 GIEB Cc1cc(OCCCC(=O)/C=C2\NCCc3cc4c(cc32)OCO4)ccc1Cl 5428072 OALLBVMBRZGNRV-JAIQZWGSSA-N 399.874 4.292 30 40 GIEB C=CCN1C(=O)/C(=C2\S/C(=N/c3ccc(F)cc3)N=C2O)c2ccccc21 6819614 LENYEMRLPKHBJD-MSUUIHNZSA-N 379.416 4.460 30 40 GIEB COc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1OCc1ccccc1 4919793 MXXNVNZTADKBJK-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1F 19901597 ZGALTQPYTIEYRU-IBGZPJMESA-N 375.415 4.132 30 40 GIEB NC(=S)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 408761803 HRXDDEYZGWOHHM-AFUMVMLFSA-N 399.475 4.379 30 40 GIEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 409075925 VPKAHDNLTLSCFC-UFFVCSGVSA-N 383.326 4.467 30 40 GIEB C[C@H](Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 600617700 NHSSSEFDZRJRCJ-STQMWFEESA-N 396.878 4.121 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccncc1 16788640 IAWPFXGDLRMTJD-UHFFFAOYSA-N 393.516 4.209 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 20517495 SCZJENVKFXDNPT-MOSHPQCFSA-N 395.455 4.027 30 40 GIEB COc1ccc(OCc2nnc(SCCCC#N)n2-c2ccccc2F)cc1 4246829 ZODDBPGNTSTZCD-UHFFFAOYSA-N 398.463 4.390 30 40 GIEB O=C(/C(=N/Nc1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 100392087 DKMAGRRFODSKRN-ATJXCDBQSA-N 398.871 4.422 30 40 GIEB C=CCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)cc(OC)c1OC 12557926 SGEMAWTZQPXXAC-UHFFFAOYSA-N 381.457 4.203 30 40 GIEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(O)c(Cl)c1 27526311 JAIYCRMVSYSOJU-UHFFFAOYSA-O 388.274 4.284 30 40 GIEB CCc1ccccc1-n1c(C)cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1C 408968874 ZVEAIUDDNHBQIC-HZHRSRAPSA-N 395.528 4.277 30 40 GIEB Cc1cc(/C=N/NC(N)=S)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408853172 ZCSIKOMIQVOHPI-ODCIPOBUSA-N 382.316 4.356 30 40 GIEB C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c2ccccc21 5444042 JZAMXVCNEIAEMX-UHFFFAOYSA-N 389.238 4.452 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)c(OC)c1 18197187 COEGWJDKYMGFQX-JOCHJYFZSA-N 395.455 4.286 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2)cc1 12390010 PWVOBNSEFYTWPE-QRWLVFNGSA-N 388.427 4.058 30 40 GIEB CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCc1ccccc1 103342139 WPHFHXBUYDHJPT-PXLXIMEGSA-N 378.432 4.100 30 40 GIEB C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2NC1=O 40089598 OBQKBUDHOCUBEY-CMPLNLGQSA-N 379.466 4.219 30 40 GIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 2631734 HKRJOEQWUOKBMZ-FQEVSTJZSA-N 393.915 4.258 30 40 GIEB CCOc1ccccc1NC(=O)CSc1nc2cc(OC)ccc2cc1C#N 1354723 OUAGGABMMVZIJH-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB CCOc1ccc(OCCON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1 22420039 JOBKLJZXBWYEPG-UHFFFAOYSA-N 397.475 4.165 30 40 GIEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc2C1 1255420 WPHHXRUEZXUJPZ-UHFFFAOYSA-N 399.903 4.493 30 40 GIEB C[C@@H](/N=C(/S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1 25326841 QSKSMRTWUDKMPO-BEFAXECRSA-N 389.952 4.500 30 40 GIEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 6052201 NZORMDXWJGYPCK-UKTHLTGXSA-N 399.443 4.232 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(C(=O)OC)=C1C 14010485 QBOBPINEDCJVSH-STZFKDTASA-N 390.483 4.261 30 40 GIEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1COc1ccccc1 223681013 KBAHASZLEKRBJC-UHFFFAOYSA-N 382.876 4.455 30 40 GIEB CCCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 97944169 HCSKCZJAJYIPFM-CQSZACIVSA-N 380.558 4.065 30 40 GIEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O 254442038 QWBSOUFIGKQNHN-UHFFFAOYSA-N 385.423 4.050 30 40 GIEB C=CCn1c(N2CCC(C(=O)Nc3ccccc3F)CC2)nc2ccccc21 12116466 UCAGJYLMUUNVBA-UHFFFAOYSA-N 378.451 4.217 30 40 GIEB N=C(N)N/N=C(\c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 5119172 ADAFTDLZRBWZOK-YDZHTSKRSA-N 375.181 4.248 30 40 GIEB CCCCCCCCCCC/C(N)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100742808 COQNOQDDMTZOII-WNZNBFKUSA-N 379.541 4.477 30 40 GIEB biogenic CCc1cccc2c(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c[nH]c12 980690 RRUOWTQQMHHNCT-BHGWPJFGSA-N 376.485 4.263 30 40 GIEB N#Cc1cccc(Oc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c1C#N 991248 FRWSPERRESJTFM-UHFFFAOYSA-N 382.375 4.262 30 40 GIEB N=C1NN(c2ccccc2)C(=N)/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 4477459 ATJHXJOHFFKIKB-MZLBXWIDSA-N 381.654 4.394 30 40 GIEB CCc1ccc(/N=C2/S/C(=C/c3ccccc3OCC#N)C(=O)N2C)cc1 4679476 LLLDVKSMWHMKAQ-QSAWGAGVSA-N 377.469 4.385 30 40 GIEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(C(=O)O)cc1 5376856 CHTHMNTZAHTAAV-ZSOIEALJSA-N 392.358 4.295 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccccn1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 7496229 NMHMDHSEQNLVHD-XOBRGWDASA-N 391.862 4.051 30 40 GIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 20637409 HNRNCVBODQUYOF-DENIHFKCSA-N 394.434 4.297 30 40 GIEB Cc1cc(C)cc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c1 35310933 BTBBERZQNUCZFO-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB COc1cc(/C=C/C(=O)c2ccccc2)cc(I)c1OC 52411141 NXDAKSAITIBAEO-CMDGGOBGSA-N 394.208 4.205 30 40 GIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OC(F)F)c(OC)c1)C2 95472340 MCMCRSYPDZECJQ-MLPAPPSSSA-N 376.355 4.136 30 40 GIEB C#Cc1cccc(NCc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1 95996683 HEJVOLVYGFUCJF-UHFFFAOYSA-N 392.499 4.070 30 40 GIEB O=C1/C(=C/NCCc2ccccc2)Nc2ccc(Br)c(Cl)c21 100392298 SYPJVHBGGGZURQ-UVTDQMKNSA-N 377.669 4.384 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 215258520 OSLXNEMREJVABC-LDADJPATSA-N 396.424 4.396 30 40 GIEB CCCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408938130 KLIMHDBLMKGUIQ-ZDLGFXPLSA-N 378.772 4.391 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409143104 ZASIVBFXVAGPOL-GZTJUZNOSA-N 398.846 4.006 30 40 GIEB C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)c1 12029015 PVEBUXFQMYSAOE-SFHVURJKSA-N 396.491 4.064 30 40 GIEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@@H]12 4083719 RNTVEMBMXUXGLJ-ROOUNICHSA-N 397.559 4.355 30 40 GIEB biogenic CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4155222 QPLLVENXOUMKGH-CFVMTHIKSA-N 386.517 4.376 30 40 GIEB CC(=O)C1=C(c2ccc(C3CCCCC3)cc2)N(C(C)=O)n2c(C)nnc2S1 4518320 HJJHAJPPONQNDA-UHFFFAOYSA-N 396.516 4.182 30 40 GIEB C[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 4778951 PACPHXDKXPVVAN-UTSBKAFOSA-N 388.345 4.161 30 40 GIEB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC#N 106701601 DGSXOUPELMDLBH-UNOMPAQXSA-N 394.452 4.143 30 40 GIEB CCOC(=O)N1C/C(=C/c2cccc(F)c2)C(=O)/C(=C/c2cccc(F)c2)C1 6340547 JJQPIMZWYKCYHA-BUOZRGFLSA-N 383.394 4.473 30 40 GIEB N#Cc1c(SCCN2CCCCC2)nc(N2CCCCC2)c2c1CCCC2 6764441 ANALDQNSABPGNB-UHFFFAOYSA-N 384.593 4.400 30 40 GIEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408849258 VYASYIVPTBLTSQ-UHFFFAOYSA-N 375.218 4.298 30 40 GIEB Cc1ccc(C)c(N/C(S)=N/[C@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)c1 22928359 RGRSRLIVBRRLKQ-KNQAVFIVSA-N 396.604 4.378 30 40 GIEB O=[N+]([O-])c1cccc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O 408731612 MHOHUOBMGLVFSU-OZDWGKQUSA-N 397.206 4.322 30 40 GIEB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OCC#N 2107474 MEUMRTLGHRBSGE-UHFFFAOYSA-N 391.423 4.395 30 40 GIEB biogenic COc1ccc(/C=C/C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409281457 MKURCKJMXAJZMJ-XVYPUBKXSA-N 398.260 4.023 30 40 GIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc2[nH]c(=O)[nH]c2c1 5333600 IIFGPZWFIYHPFF-UHFFFAOYSA-N 382.427 4.143 30 40 GIEB O=C1Nc2ccccc2/C1=N\N=c1\scc(-c2ccccc2)n1-c1ccccc1 1607919 HCBRRTGQDUCUEJ-WNAAXNPUSA-N 396.475 4.463 30 40 GIEB CCOc1ccc2nc(SCC(=O)c3ccc(OC)cc3)c(C#N)cc2c1 976343 ZAPYAOKCBQSCLO-UHFFFAOYSA-N 378.453 4.489 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O 33719537 STJRTMJUYULVQZ-FCVXWEMSSA-N 381.501 4.329 30 40 GIEB N#Cc1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 2318383 XQUFTBXBWYIVSU-UHFFFAOYSA-N 395.447 4.275 30 40 GIEB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1 3417319 RWUHRYNJYLETMH-UHFFFAOYSA-N 392.480 4.352 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 8325637 LTTHWMYGRJCNRY-UHFFFAOYSA-N 386.451 4.175 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]21C 4014904 UQWZWQYTKPEDAK-LSDVVMKASA-N 380.484 4.403 30 40 GIEB biogenic COc1ccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)cc1 225849253 IVUTVOQFSZDLHN-UHFFFAOYSA-N 384.439 4.126 30 40 GIEB Cc1nc(-c2ccc(C#N)cc2)n(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 62626504 LEBRJGOCWPZZSV-XKZIYDEJSA-N 397.482 4.006 30 40 GIEB C#C[C@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC 91252849 LVJJUTUHAFUPLE-OAHLLOKOSA-N 393.298 4.071 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(OCc2ccccc2)cc1 14607490 ISOYCCALSXXRJA-QRQCRPRQSA-N 386.455 4.125 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960140 BIZNIRPTFDDRCE-SGTLLEGYSA-N 396.447 4.148 30 40 GIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 20827136 JEIQAZJGTJKLNZ-UHFFFAOYSA-N 383.542 4.103 30 40 GIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)c1 798050 FHHTXTIIJHHWGZ-FQEVSTJZSA-N 388.423 4.070 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(F)cc1 2222530 MLWRBBUUTUMYOJ-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 2322155 PDAQKJUBDMNJBP-QGZVFWFLSA-N 380.492 4.373 30 40 GIEB C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062269 IMXJPRYKKADJEU-UHFFFAOYSA-N 394.525 4.279 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccccc2)cc1 5345797 PEPJAXGFCKJEHB-JTSKRJEESA-N 386.455 4.011 30 40 GIEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)c(O)c1 5376388 OLSAMHSSJYDTPM-NSIKDUERSA-N 381.240 4.296 30 40 GIEB N#Cc1cccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 7778031 KDKBSLBJQREHQA-UHFFFAOYSA-N 376.437 4.238 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OCC)cc3)cc21 8959592 OJKCZQUZPBUFOM-UHFFFAOYSA-N 394.471 4.275 30 40 GIEB CSc1ccc(/C=N/OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 9451807 POKRUUPLYAWRPY-IEBMLXIRSA-N 386.561 4.480 30 40 GIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 12862372 AQOMMKMSLNJVSZ-LSCVHKIXSA-N 382.412 4.284 30 40 GIEB biogenic COc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 18023547 VSNIOEPELDZKQV-UHFFFAOYSA-N 397.887 4.189 30 40 GIEB Cc1ccccc1OC1CCN(C/C(O)=N/c2nnc(C3CCC3)s2)CC1 19658418 GXMBSDRFKOGJCA-UHFFFAOYSA-N 386.521 4.245 30 40 GIEB CCOc1cc(C#N)cc(I)c1OCc1ccc(C)cc1 33737095 NEKHWROXFZRIFL-UHFFFAOYSA-N 393.224 4.449 30 40 GIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 100965669 BADDKPRGLWEUCH-OYIHJBOZSA-N 375.516 4.022 30 40 GIEB CCCCn1cnc2c(c1=N)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 101170451 GQQDYRKERKYDNX-SFHVURJKSA-N 377.488 4.330 30 40 GIEB C#Cc1cccc(N(C)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1 103031639 UMSABRNROGVSNX-UHFFFAOYSA-N 386.480 4.263 30 40 GIEB O=C1/C(=C/c2coc3ccc(Br)cc3c2=O)COc2ccccc21 688087 YLFANOQJLUWHKU-YRNVUSSQSA-N 383.197 4.214 30 40 GIEB Cc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 3176706 SRTQJUIBAIXATN-UHFFFAOYSA-N 381.888 4.489 30 40 GIEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=N/CCO)CC[C@H]4[C@@H]3CC[C@@H]2C1 118929208 QWEJYPZKJJWPEX-FYAVDHQRSA-N 375.553 4.394 30 40 GIEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 10343857 BRLWVABCSOBCIZ-IBGZPJMESA-N 395.547 4.353 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 13142147 DIJKNMOLRVCFHV-HJOGWXRNSA-N 393.483 4.094 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nnc1-c1ccccc1 4285666 RPDQOTBOZFKDSK-CQSZACIVSA-N 382.464 4.390 30 40 GIEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1CCCC 13843016 GDULOQHOVUWZNE-QBEKEKFNSA-N 375.538 4.224 30 40 GIEB N#C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1cccc(Cl)c1Cl 66392724 LNBIRCKQOPSORL-HNNXBMFYSA-N 393.295 4.290 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=S 113833371 VVTCDEINBWRGOT-WOJGMQOQSA-N 380.494 4.358 30 40 GIEB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1cc(C#N)cs1)CC2 548677665 GUNSXFZORBCTJE-IBGZPJMESA-N 385.558 4.084 30 40 GIEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1Cl 408600725 FPYFDTWEPRMVGZ-UHFFFAOYSA-N 395.640 4.000 30 40 GIEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(OC)c1OC 213169985 IHWKODXDNXLOAN-WBCKRXDOSA-N 398.484 4.255 30 40 GIEB COc1ccc(-c2cc([C@H]3N=Nc4c(C#N)c(-c5ccccc5)nn43)n[nH]2)cc1 16217426 DDSSFAFSONLSDK-NRFANRHFSA-N 381.399 4.465 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 6482581 ATLJNLYIJOCWJE-XSQHEXMZSA-N 384.516 4.258 30 40 GIEB CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6785563 ONFHBDCYPCBUHB-APWZRJJASA-N 397.496 4.068 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2)o1)CCCC3 1155236 XCXCDCSEXGQYFN-FSJBWODESA-N 375.453 4.479 30 40 GIEB CCc1ccccc1NC(=O)CSc1nc2ccc(OC)cc2cc1C#N 1354547 JBALLHQGACPJQD-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB O=C(c1ccccc1)c1ccc([C@H](C(=O)N/C=N/O)c2ccc(Cl)cc2)cc1 3133325 BJYWPGFZBMPXBY-FQEVSTJZSA-N 392.842 4.237 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1F 4406236 BMWNXJGSLDSXRS-GCKAQTDUSA-N 380.419 4.057 30 40 GIEB CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2ccccn2)C1=O 4688362 BKFBSVQBSIUAQA-PTNGSMBKSA-N 386.860 4.279 30 40 GIEB N#C[C@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@@H]21 5456469 WOZFVLCMTANHQB-IFMALSPDSA-N 387.443 4.238 30 40 GIEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1 6263826 JOKCQGLMWTYLAS-KEBDBYFISA-N 391.811 4.452 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CCn3c(=O)sc4ccccc43)c2C#N)C1 6661742 MDIKJBZPMMKVLN-LBPRGKRZSA-N 397.525 4.150 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)(C)C)cc1 6813284 ARXFBSURRXXUNR-LJQANCHMSA-N 397.471 4.110 30 40 GIEB COc1cccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1OC(F)F 7350207 LVWDLQVUXVGKEJ-ZHACJKMWSA-N 387.382 4.320 30 40 GIEB C=CCn1c(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)nc2ccccc21 12116494 HWMQAIVRWDBUQP-SFHVURJKSA-N 388.515 4.316 30 40 GIEB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 14152775 GYPBMFSDDDXXGQ-UHFFFAOYSA-N 386.786 4.060 30 40 GIEB C[C@H]1C[C@H](C)CN(Cc2csc(/N=C(\O)c3cc4ccccc4[nH]c3=O)n2)C1 32907440 RBKDCZWIOHKWML-KBPBESRZSA-N 396.516 4.099 30 40 GIEB O=C(OCC(F)(F)C(F)(F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 169795652 ZYVLBNVHDFSVMM-UHFFFAOYSA-N 394.083 4.466 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769965 KIQROQVFPQMYMN-UHFFFAOYSA-N 378.472 4.280 30 40 GIEB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3cccc4[nH]ccc34)n2)cn1 585294179 PBMMLMXUICPVNI-QFIPXVFZSA-N 395.470 4.305 30 40 GIEB O=S(=O)(Nc1ccc(/C(O)=N/c2ccc(F)cc2)cc1)c1cccs1 2651246 ROVBFLVYQUMSQB-UHFFFAOYSA-N 376.434 4.324 30 40 GIEB Cc1ccc(C)c2nc(SCC(=O)NCCc3ccccc3)c(C#N)cc12 1354246 QLNJPKFAQUBEBP-UHFFFAOYSA-N 375.497 4.174 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OC(=O)c2ccco2)c1 4718807 YZPTYLBXQMKERZ-QGOAFFKASA-N 390.420 4.390 30 40 GIEB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22133001 LMVGBEZTGLFGQT-RNEAKCBISA-N 394.500 4.426 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(CCC#N)CCC#N)cc1 104104241 NIOCVDBIZTZFCE-OQKWZONESA-N 383.455 4.126 30 40 GIEB Cc1nc(-c2ccc(CNC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc2)cs1 12614076 XZKNSFHQHDXZNX-AWEZNQCLSA-N 377.469 4.074 30 40 GIEB C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc(Br)o2)c1C 3399320 BISCTLJBFUTGTC-SOFGYWHQSA-N 392.249 4.086 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)OCc1ccc(C#N)cc1 6590184 JJFXVGYTQWTXND-UHFFFAOYSA-N 377.469 4.196 30 40 GIEB O[C@](CC#CCN1CCOCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 19911439 XNMABSVCRIVMPQ-HHHXNRCGSA-N 397.518 4.315 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409043361 QJDGKWBRHURCNL-DHDCSXOGSA-N 388.788 4.178 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)cc1 408765981 CHDKYJGZRBBYHX-JXAWBTAJSA-N 393.414 4.268 30 40 GIEB COc1ccc(-c2cc(-c3ccccc3)nc(SC/C(N)=N\C#N)c2C#N)cc1 12370993 JGRCBWBPTWRJHI-UHFFFAOYSA-N 399.479 4.226 30 40 GIEB C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4898228 XXUNRUDGXWNTFM-UCVXVQGBSA-N 375.856 4.333 30 40 GIEB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCCCC#N)cc3)ccc12 21713435 HVJCEWJIMZSLFK-UHFFFAOYSA-N 377.396 4.141 30 40 GIEB CN(C)c1ccc(/C=C\C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 8627733 TXOBEVDYMLFYEO-ZCSBBECESA-N 382.577 4.185 30 40 GIEB N#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103591927 QTVPRWQNGFABHS-UHFFFAOYSA-N 385.148 4.358 30 40 GIEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 9195892 LCCPYVTWLOQHJT-UFWORHAWSA-N 384.219 4.043 30 40 GIEB COc1ccc(-n2cccc2/C=N/NC(=S)Nc2ccc(C)cc2C)cc1 9265593 ZILMNKAMBSVERL-HYARGMPZSA-N 378.501 4.423 30 40 GIEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1C 4175540 ZOEORTUIGJZJDN-LFVJCYFKSA-N 376.441 4.495 30 40 GIEB O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419705 ODIBVEUVPPZLJR-NDENLUEZSA-N 396.395 4.210 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1ccc(OC)cc1 409220794 FXSIKGGPASXGQU-UCEMORSKSA-N 382.441 4.017 30 40 GIEB Cc1ccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4656096 IZAZVDUAUBGQMH-HAVVHWLPSA-N 378.524 4.212 30 40 GIEB C=CCOc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O 4677978 RHIYEYUWIKUTDC-STZFKDTASA-N 384.460 4.175 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(N(C)C)cc1 4821529 CHJLTHKXQTVZKQ-FYYLOGMGSA-N 393.483 4.081 30 40 GIEB N#Cc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 37212938 YHZBKKYRILPZDX-KKSFZXQISA-N 396.537 4.069 30 40 GIEB Cc1cc(C(F)(F)F)n2nc(-c3ccc(Br)cc3)c(C#N)c2n1 408920528 JSNDRPAROKFUEJ-UHFFFAOYSA-N 381.155 4.358 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1 72391189 TZPZFVPQTDTRMI-VWLOTQADSA-N 389.543 4.086 30 40 GIEB C=CCSc1nnc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)s1 222606999 CKZBXBOSWXORIA-UHFFFAOYSA-N 399.563 4.057 30 40 GIEB CC(C)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C#N)C1 4086995 APPWJMMAKJKMEN-UHFFFAOYSA-N 382.514 4.248 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccccc1 101247392 PCYOCYOXGZDBQY-GROYHEBESA-N 398.256 4.057 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc4C3)nc2c1C 4849118 IMGPPQWLPMVQML-UHFFFAOYSA-N 387.508 4.400 30 40 GIEB CSc1ccc(/C=N/OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 3330341 LAKHYDFENCDZRN-SSDVNMTOSA-N 397.327 4.425 30 40 GIEB C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(C)cc1 6300188 FYENGUSVDMTMSL-UHFFFAOYSA-N 396.491 4.134 30 40 GIEB N#CCCn1ccc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 97164711 UFAUJGNCTCSBGL-NRFANRHFSA-N 385.471 4.171 30 40 GIEB CCOc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC 408592176 LJVAJNHAZOMBDJ-SRZZPIQSSA-N 389.249 4.279 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 664672 XKIIKLXGIXAIEE-RQZCQDPDSA-N 390.270 4.480 30 40 GIEB N#Cc1cc(N2CCC(COc3ccncc3Cl)CC2)nc2ccccc12 1889201423 AECKPAUQPQOVGY-UHFFFAOYSA-N 378.863 4.450 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O 4385961 BEEVUFQCTZAWSK-IBGZPJMESA-N 389.499 4.234 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2)cc1 12390009 PWVOBNSEFYTWPE-YWZLYKJASA-N 388.427 4.058 30 40 GIEB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCc2ccc(C#N)cc2)cc1 32930270 SYMUXYRMFLOATO-LJQANCHMSA-N 375.516 4.182 30 40 GIEB COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 103748394 AGMGWABWLIRSRB-DEDYPNTBSA-N 375.266 4.045 30 40 GIEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC(C)=O)c3C)C1=O)cn2C 28182564 KQUYNSGFLMJELZ-NKVSQWTQSA-N 391.423 4.079 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2325483 HLIMIEPRFUUFJN-LJQANCHMSA-N 384.501 4.189 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 4632292 LWKRGUJUXVKIOE-LJQANCHMSA-N 399.512 4.450 30 40 GIEB Cc1nn(-c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c(C)c1Br 27924734 HDLQKEKEWZUDCP-UHFFFAOYSA-N 395.260 4.376 30 40 GIEB O=C1CSC(=S)N1/N=C\c1ccccc1OCc1ccc(Cl)cc1 409350487 RQFGQHNATKOKBV-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(Cc1cccnc1)CO2 32501357 IDQWNWSTJOJFGR-OCKHKDLRSA-N 390.464 4.420 30 40 GIEB CCOc1cccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c1O 97466908 DAOYDVXVIIBVHK-VJGKAAADSA-N 398.484 4.423 30 40 GIEB Cc1cccnc1CN1CCC(c2cccc(Nc3ccc(C#N)nc3)n2)CC1 585293150 CVVQJZNTJGWYFZ-UHFFFAOYSA-N 384.487 4.175 30 40 GIEB CC(C)Oc1ccccc1/C=C1\S/C(=N\c2ccc(C(=O)O)cc2)NC1=O 5139217 ORODSUYUGXOFDP-BOPFTXTBSA-N 382.441 4.064 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)no1 13127712 BAIVYMSJICTNMJ-SFHVURJKSA-N 396.349 4.044 30 40 GIEB CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 215707181 JDNFVQVMACHXDC-UHFFFAOYSA-N 380.395 4.050 30 40 GIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 876801 OSATXUYCHNNCTA-OAQYLSRUSA-N 394.496 4.363 30 40 GIEB NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cc4ccccc4o3)o2)cc1 6886013 KJACQGSSYBVQJD-YRNVUSSQSA-N 393.420 4.236 30 40 GIEB COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c1 636686 UDZVAGAMOOUDTH-UHFFFAOYSA-N 385.419 4.343 30 40 GIEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 409070841 NJWDKUCLHDNPMF-VXLYETTFSA-N 382.401 4.025 30 40 GIEB O=C(/C(=N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1)c1ccccc1 5163708 KFZYYIXSCHQGRZ-LEXLDCMNSA-N 397.478 4.229 30 40 GIEB Cc1nn(-c2ccc(F)cc2)cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 6790720 FJJVLBYJIKBXFP-NYYWCZLTSA-N 391.446 4.053 30 40 GIEB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)o2)cc1C 4912867 POWQVKAUWUBFDN-AWEZNQCLSA-N 378.457 4.344 30 40 GIEB CCOc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1ccccc1Cl 5958802 OGUPGFWMIJCZMH-UFFVCSGVSA-N 388.880 4.454 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408718730 CGYBBRJWBBHROT-MDPPUERRSA-N 380.831 4.131 30 40 GIEB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 32189084 DVJFAVINJYIPTI-LZYBPNLTSA-N 383.498 4.230 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3C)c(OC)c1OC 95117720 YIJNTIMMHJGOEY-ZIAGYGMSSA-N 394.471 4.339 30 40 GIEB CCO/C=N/c1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl 20366014 PDZWFIFJFXMKNA-KIBLKLHPSA-N 387.793 4.369 30 40 GIEB O=C(c1ccccc1)c1cn(/N=C\c2ccccc2)c(=O)nc1-c1ccccc1 1626145 OURIQXLTVSJUJT-XYGWBWBKSA-N 379.419 4.024 30 40 GIEB Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)N[C@H]1CCc2ccccc21 1709437 VUSKLHYALKQAMN-FULVDIRDSA-N 380.300 4.185 30 40 GIEB N#Cc1ccc(/C=C/c2nn(-c3ccc([N+](=O)[O-])cc3)c3c(=O)ccccc23)cc1 4667314 DAEQOHIJPPDWHV-NTEUORMPSA-N 394.390 4.336 30 40 GIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1 4849188 CCFQXUURLYMQIH-UHFFFAOYSA-N 375.497 4.174 30 40 GIEB Cc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)oc2ccccc12 5310755 CSVBRKGSSOGMCF-MRXNPFEDSA-N 376.412 4.233 30 40 GIEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5957736 PYFVOLRJNMNMFW-NDENLUEZSA-N 376.364 4.261 30 40 GIEB biogenic CCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SCC)nn32)cc1 22608496 IGQBDBMCSQHFRU-KPZWWZAWSA-N 384.505 4.057 30 40 GIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCO3 35311846 JKUZCSKWIIISIK-UHFFFAOYSA-N 397.843 4.219 30 40 GIEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2cc(Cl)ccc2N1C1CSC1 223738199 CTWHHHMJVAOCII-PGMHBOJBSA-N 378.284 4.272 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc1 408749441 GVGNOQQTBFDBJZ-OCKHKDLRSA-N 387.739 4.257 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])S2)cc1 408950935 GWWAEEPJEUMDLS-JXGVBEJFSA-N 395.440 4.441 30 40 GIEB COC(=O)c1cccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)c1C 409102944 UUVMZMASLWBTJN-OEAKJJBVSA-N 382.460 4.150 30 40 GIEB CC[C@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 100567778 XHWQPGMAHKBRBX-FZGJKKLJSA-N 384.392 4.135 30 40 GIEB C=CCN(CC=C)C[C@H](O)Cn1c(-c2ccc(OC)cc2)cc2ccccc21 938475 FMGXULXOUJWKBG-NRFANRHFSA-N 376.500 4.352 30 40 GIEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 10343856 BRLWVABCSOBCIZ-LJQANCHMSA-N 395.547 4.353 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 6001549 ONCZAQUNACZYGJ-OAHLLOKOSA-N 381.501 4.083 30 40 GIEB CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 6652791 QACBTJICUQOXPC-INIZCTEOSA-N 378.501 4.484 30 40 GIEB C=CCOc1cccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 9192527 XELNQDUKWNEVRM-UHFFFAOYSA-N 377.473 4.151 30 40 GIEB CCOC(=O)c1c(C(=O)CSCc2cccc(C#N)c2)c(C)n(CC)c1C 9449179 IYWXQYKELIVRMV-UHFFFAOYSA-N 384.501 4.289 30 40 GIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(O)cc1O 409306590 QEOCOQSWMYSSCN-UHFFFAOYSA-N 397.390 4.103 30 40 GIEB CCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 210550781 VDVMAKFXPIHPNJ-WBCKRXDOSA-N 396.468 4.407 30 40 GIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036634 IAYOAGKHONGPDK-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 225776386 DNIHYYPKEOBAMF-UHFFFAOYSA-N 396.462 4.419 30 40 GIEB CCOC[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515240 HZJXTKDOBHYSHP-BHDDXSALSA-N 383.513 4.044 30 40 GIEB CCc1cccc(CC)c1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 5863710 UWUXIYRTXDLWFY-UHFFFAOYSA-N 386.451 4.079 30 40 GIEB COc1ccccc1/C(C)=N/Nc1nc2ccccc2c(=O)n1-c1ccccc1 12362655 PBUDZWHYMYYTFY-PCLIKHOPSA-N 384.439 4.230 30 40 GIEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 12879186 VUVNLXFEGKNTAK-AXPKERNXSA-N 375.509 4.157 30 40 GIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)C1 19085115 WYSRZSSCEJENAA-QHCPKHFHSA-N 396.556 4.135 30 40 GIEB CC(=O)Oc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243037 HBXNAGLYJCEFBX-UHFFFAOYSA-N 382.178 4.263 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1 8991287 MNABFAAQOJFUDX-IERDGZPVSA-N 387.439 4.345 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1 8991286 MNABFAAQOJFUDX-IIBYNOLFSA-N 387.439 4.345 30 40 GIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1OC 40266862 ADNNEUMPEKLCSN-KRWDZBQOSA-N 391.402 4.156 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(C)cccc1C 2438524 PAYLPHBRAVZGLD-UHFFFAOYSA-N 398.557 4.464 30 40 GIEB COc1cc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC#N 2661360 ZIRIIXULBCHZTR-YCRREMRBSA-N 392.333 4.148 30 40 GIEB CCOC(=O)[C@@H](Cc1ccccc1)C(=O)C/C=N/OCc1cccc(Cl)c1 4091957 SYMSVNZGWUIHPN-DOUQRPAJSA-N 387.863 4.224 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 4406213 MEQRVCMWCLVXAP-WLJAHRKQSA-N 398.409 4.196 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c1 4601959 XDVAEYBPFUZZTB-UHFFFAOYSA-N 399.450 4.171 30 40 GIEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(F)cc3)n2)cc1OC 5024176 ZKWQISPYDVJFQQ-IWIPYMOSSA-N 382.420 4.306 30 40 GIEB COc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 14201611 LPHIWGZAEYCHHU-UHFFFAOYSA-N 395.484 4.357 30 40 GIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182595 OPUIXXXAKQMIGH-NHDPSOOVSA-N 391.423 4.219 30 40 GIEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCCC1 100203780 LJVVPCNEJBSKJF-KHOFPDMRSA-N 387.549 4.366 30 40 GIEB O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 4889464 KAHVLMLNLZHNKT-UHFFFAOYSA-O 397.907 4.047 30 40 GIEB Cc1ccc(OCCO/N=C(\N)c2ccc(Oc3ccc(F)cc3)nc2)cc1 58155958 RSURDBJSAPELNJ-UHFFFAOYSA-N 381.407 4.037 30 40 GIEB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)NS(=O)(=O)c2ccccc21 8992955 YACSJSKNOVEBBW-WJDWOHSUSA-N 385.828 4.116 30 40 GIEB C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccccc1 5505088 GLJAVVLOWIUVCZ-SFHVURJKSA-N 378.501 4.053 30 40 GIEB N#Cc1c(Nc2nc3ccccc3nc2N2CCOCC2)sc2c1CCCC2 4836831 ZNTCCTBVGWYXGB-UHFFFAOYSA-N 391.500 4.022 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 5409083 KEXXRZOMLPMOEA-HXUWFJFHSA-N 388.398 4.312 30 40 GIEB C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 3413848 KPLJRAWCNXJELZ-IUODEOHRSA-N 389.546 4.115 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1C 4189023 JIVFBDPFSGQWHN-JBYOLUDKSA-N 376.456 4.226 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1 4919697 QNPUHMAHUKIAGP-XMSQKQJNSA-N 380.440 4.023 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc(C)cc1 6477841 RBJNDHHRNVXDMD-SJLPKXTDSA-N 384.549 4.227 30 40 GIEB CCOC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 18244441 HMYMMZYITKPIFN-QFIPXVFZSA-N 394.471 4.459 30 40 GIEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 20518174 LWIRBGUTAVQGHG-GQFJFNLSSA-N 394.427 4.291 30 40 GIEB C[C@@H](COc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100748239 ORBTUWWVTAVIEZ-QMMMGPOBSA-N 397.237 4.038 30 40 GIEB CCOc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)c1 409056103 GEWGQMSNVWCQLI-WBCKRXDOSA-N 396.468 4.407 30 40 GIEB N#C[C@H](C(=O)c1ccc(CN2CCSCC2)cc1)c1nccc2ccccc12 554328540 ZPXJDNDFIVJXEJ-NRFANRHFSA-N 387.508 4.274 30 40 GIEB C=CCOc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O 2144519 BCEUVEYSGFEGQC-FOWTUZBSSA-N 384.229 4.358 30 40 GIEB C=CCn1c(NC(C)=O)c(C(=O)OCCCCC)c2nc3ccccc3nc21 2287113 ZWJCIYWHTUPCFV-UHFFFAOYSA-N 380.448 4.076 30 40 GIEB Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2n1 4240292 ITTAOJKWPDERKE-HNNXBMFYSA-N 376.485 4.366 30 40 GIEB N#CCSc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N 4450380 WFIKCOHTZSCPIY-UHFFFAOYSA-N 377.347 4.026 30 40 GIEB CCCCCN1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccccc2S1(=O)=O 4915894 GRGHCJJCMWTHOU-CAPFRKAQSA-N 398.528 4.171 30 40 GIEB C=CCNC(=S)NCCCCCCCCCCCCNC(=S)NCC=C 6158470 MKVUZJMXGDFIMW-UHFFFAOYSA-N 398.686 4.188 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 6812969 CDRYZIFEGZNNHL-NRFANRHFSA-N 393.483 4.343 30 40 GIEB Cc1c(/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)n[nH]c(=O)c1C#N 7324821 XPADJJULDKZCRB-MDZDMXLPSA-N 385.452 4.035 30 40 GIEB CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 8321623 WBXMBCHVBAMOFU-RUDMXATFSA-N 377.234 4.458 30 40 GIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccccc1 12462012 HJQRAQVDDBYNII-PTGBLXJZSA-N 375.457 4.309 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S[C@@H]1CCCCNC1=O 22202491 UMROFMVETAWLNN-CQSZACIVSA-N 397.447 4.461 30 40 GIEB C[C@@H](c1ccc(F)c(F)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 29713387 FHYSSCOTHPGCTN-XJKSGUPXSA-N 392.409 4.195 30 40 GIEB Cc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1C 31708553 IIRDDUXIWFSKQB-UHFFFAOYSA-N 387.823 4.191 30 40 GIEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H]1CCCC[C@H]1C(F)(F)F 102832493 JSOZRCAMBDMBHB-HTQZYQBOSA-N 375.259 4.162 30 40 GIEB N#C[C@@H](C(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)c1c[nH]c2cc(Cl)ccc12 104107114 LELOCRZOKWHBRP-BEFAXECRSA-N 391.814 4.230 30 40 GIEB Cc1cccc(Cc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)c1 225843392 AGLFDXAGCWYVCD-UHFFFAOYSA-N 381.277 4.047 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccccc1OCc1ccccn1 524730434 JALHGOONHNGSEV-KRWDZBQOSA-N 377.440 4.334 30 40 GIEB biogenic Cc1ccc(CCCN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585295044 YHMSURNUEXPGJI-LJQANCHMSA-N 393.516 4.246 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2463604 LCKPPQBKXZFYIO-KDOFPFPSSA-N 384.501 4.188 30 40 GIEB O=C(/C=C/c1cn(C[C@H](O)CN2CCCCC2)c2ccccc12)c1cccs1 4116434 VKEYFMSDOKCVMT-GNISGLHKSA-N 394.540 4.446 30 40 GIEB CCOc1ccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)cc1 6366237 AAMYZUWFJMSJGD-UHFFFAOYSA-N 398.260 4.313 30 40 GIEB C=CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCc1ccccc1C 9699057 WBSPMXJOBLJLBJ-UHFFFAOYSA-N 396.491 4.385 30 40 GIEB C=CCc1cc(CN2CCN(Cc3ccc(Cl)s3)CC2)c(O)c(OC)c1 22794516 LWWBTGFLCURWNL-UHFFFAOYSA-N 392.952 4.162 30 40 GIEB C=CCN(Cc1cccs1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 32795371 PFIPJNCEUSDDAB-UHFFFAOYSA-N 395.484 4.491 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(OC)cc1 97104937 HCFQXICDECPPPX-GGAORHGYSA-N 393.483 4.081 30 40 GIEB CCCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(C(=O)OC)cc1 101028414 CPANILWMVXBWBS-AQTBWJFISA-N 381.453 4.436 30 40 GIEB N#CCCn1nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc1=O 4105424 SEEIOXCOFXMKBN-UHFFFAOYSA-N 390.226 4.303 30 40 GIEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 4814181 DNBITBJQVUBNAE-RBZFPXEDSA-N 394.837 4.486 30 40 GIEB Cc1cc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2c2ccccc12 4843494 MAHQHJPBLFETFJ-CQSZACIVSA-N 387.468 4.182 30 40 GIEB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@@H]21 4991330 IPTGADYNRWJWSJ-NEWJYFPISA-N 388.463 4.134 30 40 GIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 4993266 OSATXUYCHNNCTA-NRFANRHFSA-N 394.496 4.363 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 6001466 ZFBISEKNIAPWQS-MRXNPFEDSA-N 395.528 4.391 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(C)c3)ccc21 8958776 WTPJPGUMKMIJDX-UHFFFAOYSA-N 378.472 4.114 30 40 GIEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccnc2Cl)cc1 12654095 VYEIZXNXGJPEDP-HIXSDJFHSA-N 377.831 4.351 30 40 GIEB C#CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 20808052 UOAUAVHTMKVVHY-KRWDZBQOSA-N 377.831 4.216 30 40 GIEB CCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SCC)nn32)cc1 22608493 IGQBDBMCSQHFRU-XIKOKIGWSA-N 384.505 4.057 30 40 GIEB C=CCc1ccc(OCCCCCn2cnc3ccccc3c2=O)c(OC)c1 58159035 SKJCYQOSLKFOCK-UHFFFAOYSA-N 378.472 4.383 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)SC1=S 408812979 CMJXAVZTGWVDEH-YBEGLDIGSA-N 385.466 4.340 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3cccc(C)c3C)NC1=O)OCO2 409096162 CPPOVSHIYGMDNB-DJKKODMXSA-N 396.468 4.322 30 40 GIEB Cc1cc2c(cc1C=Nn1c(C3CCCCC3)nc3ccccc3c1=O)OCO2 409275074 HVVPYXIPNOYIOI-UHFFFAOYSA-N 389.455 4.364 30 40 GIEB CCOC(=O)c1nocc1-c1nc(C)c(C#N)c(-c2ccc(Cl)cc2)c1C#N 1383091 GQXFEYUPFGBLMS-UHFFFAOYSA-N 392.802 4.285 30 40 GIEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nc2sc(CC)cc2c1=O 3396142 SNBZZEJBXAXFOA-UHFFFAOYSA-N 387.486 4.407 30 40 GIEB CCCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CCC2 4285219 LEHYKELVFKDTGU-NRFANRHFSA-N 383.488 4.397 30 40 GIEB N#CCn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 4676840 YMQWUXCZNCVIBB-RGVLZGJSSA-N 398.447 4.273 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 9359653 GNNPBWSUBLXILD-LJQANCHMSA-N 392.386 4.213 30 40 GIEB Cc1noc2c1[C@@H](c1cc(Br)ccc1F)C1=C(CCCC1=O)N2 13727461 COQJZYGNPZPHSS-OAHLLOKOSA-N 377.213 4.449 30 40 GIEB COc1cc([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)ccc1OCC(C)C 32830897 VNFIEVGPSYZWSX-QGZVFWFLSA-N 380.488 4.412 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38855792 PRDCTNCMHOOVEV-UHFFFAOYSA-N 391.515 4.231 30 40 GIEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 219819668 PELIWCGWBNJQAG-UHFFFAOYSA-N 395.484 4.296 30 40 GIEB CCOc1cc(C#N)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 2761326 VCFWKSHXDRQGTK-UHFFFAOYSA-N 389.249 4.045 30 40 GIEB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1 3357296 OQGVCIJIIQPCKJ-UHFFFAOYSA-N 376.243 4.118 30 40 GIEB N#Cc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 3399604 WMQDNYHRIRNHGE-UHFFFAOYSA-N 388.402 4.000 30 40 GIEB Oc1c(Br)cccc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 4844068 ATALUDPSYPCALV-LRNAUUFOSA-N 381.098 4.296 30 40 GIEB CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 4953047 SHIASKFIZDLYCS-RXSWUABFSA-N 385.489 4.313 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 4959797 WRRFFZNRXBOENN-UHFFFAOYSA-N 378.413 4.054 30 40 GIEB Cc1sc(NC(=O)c2ccccc2I)c(C#N)c1C 5144856 ANTFEMJLUIRORW-UHFFFAOYSA-N 382.226 4.094 30 40 GIEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 13569997 POKBENUGODIYAF-NDENLUEZSA-N 396.395 4.210 30 40 GIEB CCN1C(=S)/C(=N\NC(=S)c2ccc3ccccc3n2)c2ccccc21 17108553 NHXLPYJUPLPOBJ-PYCFMQQDSA-N 376.510 4.072 30 40 GIEB CCCC(=O)O/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1ccc(C)cc1 20849257 YNZWYBUJVPURDZ-GYHWCHFESA-N 394.427 4.161 30 40 GIEB COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(C)o2)cs1 40129629 OBJAQJJNJZHAMQ-UHFFFAOYSA-N 397.456 4.390 30 40 GIEB CCOC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)o1 575242929 COWKWVGZERTHCJ-UHFFFAOYSA-N 386.166 4.107 30 40 GIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 33011216 SXXKPTSGHRJTAS-UHFFFAOYSA-N 393.443 4.499 30 40 GIEB COc1ccc(OC)c(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 4849030 MFSUIBXGJBVDGC-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 102886138 IIIZRFIYYUIZJQ-WOOAAIBNSA-N 392.386 4.057 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 4904616 VWBAYPZVCVNMJW-DNVJHFABSA-N 381.447 4.224 30 40 GIEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 33325179 BHBUFLYTDHWSHQ-UHFFFAOYSA-N 391.471 4.382 30 40 GIEB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 103785079 BUJNXELMCHLEKS-BOPFTXTBSA-N 376.485 4.444 30 40 GIEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(=N)[nH]1 118915682 OLFQKPLZTHOKAV-HYFNVUGSSA-N 386.561 4.142 30 40 GIEB in-vitro O=C1CSC(=N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)N1 408735343 NTEAPQBJDXKNGC-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=N/CCO)CC[C@H]4[C@@H]3CC[C@@H]2C1 118929212 QWEJYPZKJJWPEX-ZCVZDDOZSA-N 375.553 4.394 30 40 GIEB [N-]=[N+]=Nc1c(C(=O)NCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 15240406 GDDCRFCHKZTWPV-UHFFFAOYSA-N 382.379 4.334 30 40 GIEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCc3cn[nH]c32)cc1 89775080 WHTPOMXJXQICHM-OAQYLSRUSA-N 388.446 4.069 30 40 GIEB COc1cc(/C=N/Nc2ccccc2C(=O)O)ccc1OCc1ccccc1 11903704 SLESQPKCDPJSKX-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB O=C[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OCc2ccccc2)cc1 1236720 PJVCFMWHRGYLTG-RDJZCZTQSA-N 383.494 4.068 30 40 GIEB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1[N+](=O)[O-] 40135286 NOVSTNFOQDWDAD-UHFFFAOYSA-N 379.395 4.065 30 40 GIEB N#Cc1cnn2c1ncc1c(/C=C/Nc3ccc(C(F)(F)F)cc3)nccc12 100919141 FFXBYTAEHJDNEJ-FNORWQNLSA-N 380.333 4.251 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 1354686 IQVVQGVIAVGNFD-CQSZACIVSA-N 389.480 4.185 30 40 GIEB C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccccc1)N1CCCCC1 12523549 UBLFSBJDTMOCKZ-INIZCTEOSA-N 390.516 4.232 30 40 GIEB CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2ccccc21 28182631 MVUKSQKQWYGCRK-JAIQZWGSSA-N 391.423 4.138 30 40 GIEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC 409370843 UQWAYUROPNXCQP-FBHDLOMBSA-N 397.258 4.390 30 40 GIEB CCCCCCCCCCCCSCCOCn1cc(F)c(=O)[nH]c1=O 8453412 ZJVOTJPITKFHSC-UHFFFAOYSA-N 388.549 4.304 30 40 GIEB N#CC1(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCCC1 96995284 WZVQELPAEPQWMF-UHFFFAOYSA-N 375.350 4.459 30 40 GIEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1 409199969 GCVXXDAYCWJIRA-QRVIBDJDSA-N 376.412 4.330 30 40 GIEB Cc1ccc(CCCN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585293986 MMJFQQQKYGFJCN-OAQYLSRUSA-N 388.475 4.158 30 40 GIEB Cc1ccc(S(=O)(=O)OCCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565684024 RYDMNWADJLEAMH-UHFFFAOYSA-N 382.297 4.313 30 40 GIEB Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1C(F)(F)F 14801083 UQEDTORIPUNUTA-UHFFFAOYSA-N 388.393 4.136 30 40 GIEB COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O 6433273 XATUACFTVXIDJS-XBXARRHUSA-N 380.318 4.074 30 40 GIEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c(C)c1C 663283 MJPQWENKCXSEST-UHFFFAOYSA-N 382.514 4.031 30 40 GIEB CCc1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)cc1 1354668 GRURMSJHXITUSB-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2cccc(Br)c2)c(C#N)c1C 1964996 VKMKXYYXBNWMQH-UHFFFAOYSA-N 393.262 4.120 30 40 GIEB N#CCCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 3255281 QALRJHLLXAQHQE-UHFFFAOYSA-N 377.227 4.097 30 40 GIEB CCN(CC)c1ccc(/C=N\N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 5794912 JVCFIVDTLSBRCS-YSMPRRRNSA-N 397.478 4.415 30 40 GIEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1 20446606 GIBGMYRJTGMNAR-DHZHZOJOSA-N 388.446 4.178 30 40 GIEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1C 35288678 SOWPUJFHVDFWRG-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB N#Cc1cccc(CN2CCC(c3cnn(Cc4cccc(C#N)c4)c3)CC2)c1 58327604 RPWFOIAIBBNNHP-UHFFFAOYSA-N 381.483 4.054 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1 408961089 QYBWVQHVNRLTEC-ZHZULCJRSA-N 393.512 4.495 30 40 GIEB COc1ccc(COc2ccc(-c3c4c([nH]c(=N)c3C#N)CCCC4)cc2)cc1 408976292 AKNJGGJXIPUCCI-UHFFFAOYSA-N 385.467 4.499 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N3CCOCC3)o2)cc1 27794054 OMCCIMKNNYCONV-GOSISDBHSA-N 394.500 4.069 30 40 GIEB CN(C)c1ccc([C@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1 27991015 VTCLHDJSHKSUDI-KRWDZBQOSA-N 381.505 4.056 30 40 GIEB C=CCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccccc2)cs1 12904542 QCGRXXRMCGCKHI-IBGZPJMESA-N 390.464 4.111 30 40 GIEB Cc1nc(SCC(=O)Nc2ccccc2C#N)c2c3c(sc2n1)CCC3 6114222 UKYVMRNVKALUKG-UHFFFAOYSA-N 380.498 4.091 30 40 GIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 17167357 IWYUVRQWTVQTJK-LGMDPLHJSA-N 383.473 4.170 30 40 GIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)o1 409313033 ASFUFVFJWHOANR-NSHDSACASA-N 388.265 4.456 30 40 GIEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 408601629 KZWPGSKICSIEQK-UHFFFAOYSA-N 395.640 4.000 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1cccc(O)c1 16934667 VEHACSGALQDVON-NXCZOFCGSA-N 396.468 4.199 30 40 GIEB BrC(/C=N/N1CCN(Cc2ccccc2)CC1)=C/c1ccccc1 20189946 DYNORDCFBLDDQF-RQRAPYSXSA-N 384.321 4.226 30 40 GIEB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 6002154 RQEWVZFVNNIPTG-AWEZNQCLSA-N 387.892 4.100 30 40 GIEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc(F)cc2)cc1 8559211 LKYSHYCMNQURAS-JTSKRJEESA-N 388.446 4.450 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(F)cc1 2432441 ZBRIOXNTLZOXTL-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB C=CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 39844270 ARJAYUVSGSHNJN-UHFFFAOYSA-N 376.384 4.051 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@@H](C)C3 5878291 PFANIINQHQIIBK-OLZOCXBDSA-N 376.547 4.040 30 40 GIEB CC(=O)Nc1cccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)c1 7744160 RXYWLSRLANSTBD-AATRIKPKSA-N 388.217 4.032 30 40 GIEB CN1/C(=C\C(=O)COC(=O)Cc2c[nH]c3ccccc23)C(C)(C)c2ccccc21 32744871 BZVRBBWBTUGOKC-XKZIYDEJSA-N 388.467 4.134 30 40 GIEB C/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1C 408929121 HHANNTZAFIATEB-XUVFPMAOSA-N 377.809 4.040 30 40 GIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OCC)cc1 224588224 XWSMZWYGZPJDIF-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C(\C=C/c2ccccc2)c2ccccc2)cc1 16928428 HXNGKNHTSAKUIB-JKCYDTMASA-N 376.481 4.391 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(F)cc1 18067854 SDNFUEXEZGDVKV-CQSZACIVSA-N 386.429 4.127 30 40 GIEB CCOC(=O)CSc1nc(-c2ccccc2)cc(-c2cccnc2)c1C#N 988580 RLVGVXHZYQUIRJ-UHFFFAOYSA-N 375.453 4.337 30 40 GIEB CCOC(=O)/C(=N/Cc1ccc(Cl)cc1)NNc1cccc(C(F)(F)F)c1 3174680 SDIRVLYEXTUEIS-UHFFFAOYSA-N 399.800 4.437 30 40 GIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 3352923 OHBFEWOEVJVBKR-UHFFFAOYSA-N 386.407 4.014 30 40 GIEB CS[C@]12C(=O)C[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CCC1=CC(=O)CC[C@@]12C 4895969 XEWYFKCIYPODDC-BJYRRAHNSA-N 390.545 4.115 30 40 GIEB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6605170 NWELPKNTAFCHIK-KRWDZBQOSA-N 384.435 4.338 30 40 GIEB COc1cccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2OC)c2ccccc2)c1 7470592 KGQSJCJSQBFVHS-QFIPXVFZSA-N 388.423 4.334 30 40 GIEB COc1ccc(/N=C2/S[C@@H](Cc3ccc(OC)c(Cl)c3)C(=O)N2C)cc1 8091956 PZIVXUFHGCXPBD-JLUOLNIDSA-N 390.892 4.161 30 40 GIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1c2ccccc2C[C@@H]1C 12524429 PQSLDUVJGQIIGT-PSNMVERHSA-N 391.393 4.445 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 12970084 XMYCVURDSVPWAD-OAQYLSRUSA-N 385.419 4.478 30 40 GIEB CC1(C)C(c2ccc(F)cc2)=[N+]([O-])[C@@]2(CCCC/C2=N\Nc2ccccc2)N1O 13098293 HTTLVUYFABOQOC-ZUGOUDHMSA-N 396.466 4.347 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccnc3ccccc23)S/C1=N\c1nccs1 54360868 JSVWYKVJLULZHL-AAMDCLCLSA-N 378.482 4.481 30 40 GIEB N#CC1(c2ccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)cc2)CC1 225873049 NAHJREASQUJDIH-UHFFFAOYSA-N 376.391 4.002 30 40 GIEB C#CCOc1c(CC=C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OCC 408911824 OOKJKBMSDKJZGP-JCMHNJIXSA-N 379.416 4.180 30 40 GIEB Cc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 2623157 OSSJTMXXGQMSRF-UHFFFAOYSA-N 382.514 4.414 30 40 GIEB COc1ccc(OC)c(C(=O)/C=C/c2cc3c(cc2Br)OCO3)c1 7744873 UKZCKGLILKNVCG-HWKANZROSA-N 391.217 4.091 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 102861935 RTKNLHPGJFSJMS-SELCWUDQSA-N 399.512 4.114 30 40 GIEB C=CCN1C(=O)/C(=C/c2c[nH]c3ccc(OC)cc23)S/C1=N\c1nccs1 54361086 CYQGCLBSQDINEW-KISZYUCXSA-N 396.497 4.423 30 40 GIEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCc2ccccc21 12627547 UBKQWELNWRSIAM-HNNXBMFYSA-N 376.485 4.020 30 40 GIEB CN1CCc2c(sc(/N=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c2C#N)C1 409202734 RUFKFOVPKCGFDI-KSEXSDGBSA-N 391.452 4.316 30 40 GIEB C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccncc1 8470981 XVDLWVLZVZCDOK-UHFFFAOYSA-N 375.457 4.473 30 40 GIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)c1 13424111 KUWVLSMHCZTJSK-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB C[C@@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 97950212 ZTCJLCVMODVXFV-LURJTMIESA-N 382.276 4.107 30 40 GIEB Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O 5756086 QLQFTDOGBHLZHT-AFUMVMLFSA-N 399.450 4.180 30 40 GIEB CCN(CC)c1ccc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 16678520 JVCFIVDTLSBRCS-CVKSISIWSA-N 397.478 4.415 30 40 GIEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19498926 YWQOJOKOQWCKJS-JOCHJYFZSA-N 390.527 4.088 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 100720591 GRKCIXGRANOVEG-VCHYOVAHSA-N 397.303 4.117 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 102799162 COGNUICLLZTKSU-WOOAAIBNSA-N 399.874 4.107 30 40 GIEB Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc13)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4945114 DWSSTSHOVUXMSV-WAIKUNEKSA-N 395.466 4.484 30 40 GIEB C[C@@H](C#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 6580130 HJCGLRNRSSQPLJ-NSHDSACASA-N 389.278 4.353 30 40 GIEB O=C(COc1ccccc1F)/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21 103436865 QCXRWPJRSJPRFG-NJNXFGOHSA-N 395.821 4.042 30 40 GIEB COc1ccc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1OC 105085977 BITHVXIWTNUCOG-LSDHQDQOSA-N 384.501 4.228 30 40 GIEB N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 9109645 KBBAKUNPOSDVAD-ODLFYWEKSA-N 387.370 4.050 30 40 GIEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 5215699 KJYFEOHPQMEJTL-UHFFFAOYSA-N 388.471 4.329 30 40 GIEB O=C(CO/N=C\c1ccc(OCc2ccccc2F)cc1)Nc1ccccc1 409377222 FVVJJUNGQBFXPM-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c1C 409083366 AGQSYEPAMWPIPK-IMQDXXIXSA-N 383.517 4.375 30 40 GIEB Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 69248139 HQIOMJMSDRGODI-KRWDZBQOSA-N 399.450 4.475 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1-c1ccccc1 409111162 CAEGGJCLCCDVSB-UHFFFAOYSA-N 377.425 4.111 30 40 GIEB CCC(C(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F 2288393 CZTXTDGUWDFRJA-UHFFFAOYSA-N 375.216 4.016 30 40 GIEB biogenic C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225839418 DHPPIJYYABCPPF-KRWDZBQOSA-N 397.544 4.136 30 40 GIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 96346549 PVZKFLZDANJKRA-QZTJIDSGSA-N 388.446 4.283 30 40 GIEB Cc1cccnc1CN1CCCC[C@H]1c1csc(=Nc2ccc(C#N)nc2)[nH]1 585293408 GZFAKCWORZFONR-FQEVSTJZSA-N 390.516 4.006 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccncc2C)n1 585293749 LPFZDDFNQNXHNU-QFIPXVFZSA-N 399.502 4.226 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)no1 8744080 TZCGCHWXLVDELK-IBGZPJMESA-N 392.411 4.482 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 6869768 PLOZVDQALNAKCJ-HKWRFOASSA-N 394.544 4.490 30 40 GIEB COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)cc1 663341 RXHJDZOMCLAAKZ-UHFFFAOYSA-N 381.501 4.352 30 40 GIEB COc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 57523304 FCQQHUKCSSGXLC-CYBMUJFWSA-N 378.350 4.044 30 40 GIEB COc1c2c(c(C(=O)/C=C/C(C)=C/c3ccccc3)c3c1OCO3)CCN(C)C2 20112816 HGKBUFQLERZSEX-FVTBZGPOSA-N 391.467 4.254 30 40 GIEB biogenic O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 13692086 IEYHNGLPCCGBMO-GRSHGNNSSA-N 376.437 4.111 30 40 GIEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC(F)F)cc2)cc1 6489582 KEJQKFILXUYSOW-SRZZPIQSSA-N 390.415 4.490 30 40 GIEB Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1C 4700892 BVLZIFKPPGMJFU-DVCONVQISA-N 385.464 4.033 30 40 GIEB CCCNc1c(N/C(O)=N/c2cc(OC)cc(OC)c2)c(=O)oc2ccccc12 28048814 UODBYVPSGYWTCG-UHFFFAOYSA-N 397.431 4.290 30 40 GIEB COc1ccc(-c2nnsc2C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 225887665 BXXIURMUPPQJLD-UHFFFAOYSA-N 376.441 4.021 30 40 GIEB O=S(=O)(/N=C(/Nc1cccc(F)c1)C(Cl)(Cl)Cl)c1ccccc1 16777059 WPBXMMFBWBPRIS-UHFFFAOYSA-N 395.670 4.395 30 40 GIEB O=c1oc2ccccc2c(O)c1C1=N/C(=N\N=C/c2ccc(Cl)cc2)SC1 17175496 SRJBDQQFADAFDI-AGZBKSAHSA-N 397.843 4.078 30 40 GIEB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1cccc(C#N)c1 4767018 CUBRJYWLDDNNPB-MRVPVSSYSA-N 398.633 4.097 30 40 GIEB CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(Br)cc1 3151483 JNFDRLKYMIGGET-NBVRZTHBSA-N 389.359 4.453 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959576 TWZGYDFVKPTJLU-UHFFFAOYSA-N 380.444 4.373 30 40 GIEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccccc1 44085689 KCBMUCSPAVFJHE-UHFFFAOYSA-N 379.485 4.476 30 40 GIEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc2ccccc12 100072585 VJYIBAXRBYPCEN-RSTPCFTMSA-N 389.480 4.430 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc(-c2ccccc2)s1 12766056 QMQUJZMNAKCPPW-UHFFFAOYSA-N 375.413 4.021 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2cc(C#N)ccn2)n(C2CCCC2)c1C 84051689 VFKQQHLZPGHDHO-UHFFFAOYSA-N 379.489 4.089 30 40 GIEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 408707202 KYUNIUWUHBYLAT-UHFFFAOYSA-N 387.293 4.394 30 40 GIEB Cc1ccc(COc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)cc1 225843597 IXGKSHSPLVVVOH-UHFFFAOYSA-N 397.276 4.035 30 40 GIEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(SC)cc1 224989943 PBAOZHVBSBFABW-UHFFFAOYSA-N 378.475 4.006 30 40 GIEB CN(C)c1ccc(Cl)cc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 528984848 LCBHXPWZVJOZTL-UHFFFAOYSA-N 398.894 4.105 30 40 GIEB C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3411185 ICMRSKFWTAYBPS-UHFFFAOYSA-N 398.919 4.041 30 40 GIEB N#Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 3419452 SNXAGWHKEOISLD-UHFFFAOYSA-N 378.819 4.066 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1C 4919845 MFMYOKFTJOOHBO-CVDCTZTESA-N 394.467 4.332 30 40 GIEB COc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 5675289 UPBKPOJINDNTKM-REZTVBANSA-N 385.163 4.264 30 40 GIEB CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 6540721 BITHGRXJVJYWFB-LBPRGKRZSA-N 389.249 4.125 30 40 GIEB Cc1ccccc1/C=C/c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 8752670 LMSAHJXWMOZNPT-NKSUMMKUSA-N 389.484 4.275 30 40 GIEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 12406410 YTYSUUPFMNVOLC-SXCYCHHDSA-N 392.455 4.220 30 40 GIEB C#Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)c1 58158188 HXGHCEBGUYFSPZ-COPCDDAFSA-N 390.458 4.219 30 40 GIEB C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219679567 RJYDQJAQLASXOV-ZDUSSCGKSA-N 376.250 4.420 30 40 GIEB N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 58003752 XQDWOJBGTLSITK-UHFFFAOYSA-N 385.826 4.290 30 40 GIEB CN(c1ccccc1)c1ccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)cc1 3307808 SOGFOVFGAYGQLQ-XQNSMLJCSA-N 376.460 4.043 30 40 GIEB COCCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 6654271 YWCWAOPNEWSWRH-UHFFFAOYSA-N 384.892 4.409 30 40 GIEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 4785562 MXSSMVDONZKESZ-ZRGXJLOSSA-N 383.495 4.021 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 4716072 LGUMMJQWRDPPBP-AWEZNQCLSA-N 381.288 4.329 30 40 GIEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224938785 ZDGXKJHHJYLRIX-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224781731 OPILMPCAROCVCA-UHFFFAOYSA-N 384.816 4.077 30 40 GIEB CCCCN(C)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 6203609 RBKWTSJMDYTOLG-HYARGMPZSA-N 379.810 4.379 30 40 GIEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C#N)C1 4275213 GXPTUQRJKGDEGO-UHFFFAOYSA-N 381.501 4.074 30 40 GIEB CCOC(=O)c1sc(N/N=C2/C(C)=Nc3ccccc32)c(C(=O)OCC)c1C 6154921 JEUYSERDZXQXGI-JWGURIENSA-N 399.472 4.332 30 40 GIEB CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2/N=C/c1ccc2cc[nH]c2c1 32074912 SSKUVRSYMNCMGN-UVHMKAGCSA-N 384.527 4.312 30 40 GIEB N#CCCSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 2911336 KCWATUHEGIBBHX-UHFFFAOYSA-N 386.278 4.098 30 40 GIEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 6482592 ATLJNLYIJOCWJE-CYBVTDKJSA-N 384.516 4.258 30 40 GIEB in-man C=CCn1c(CNc2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 671288 LXSZFUDRYROWKZ-UHFFFAOYSA-N 394.500 4.060 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 3094370 MDNGQPZQNCRTPV-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB N#Cc1c(NC(=O)CN[C@@H]2CCCc3ccccc32)sc2c1CCCCC2 58137443 AZEYFOVFCDMJMG-LJQANCHMSA-N 379.529 4.494 30 40 GIEB COC(=O)c1ccc(/N=C/c2ccccc2I)c(C)c1 408553553 ZWXHWORAEXXOEJ-VCHYOVAHSA-N 379.197 4.137 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 6782330 XKGXKPKSNMFXGZ-IBGZPJMESA-N 383.444 4.018 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 4816269 AMDLXQODPHIHQI-ZDUSSCGKSA-N 385.518 4.015 30 40 GIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1cccc(C)c1 409055489 CFHJXTVMXBUNAQ-SRZZPIQSSA-N 381.457 4.434 30 40 GIEB Cc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c1C 35311884 GTQSRXUNRWBSQG-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB CCCCN(C1=Nc2ccccc2C1=O)/C(=N\N)SCc1ccc(C#N)cc1 38709178 LCBYMVKNWASQMK-NJNXFGOHSA-N 391.500 4.050 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2ccccc2F)cc1 5409090 WXRNPDFDACNYCV-HXUWFJFHSA-N 388.398 4.312 30 40 GIEB O=C1C(=Cc2coc3cc(Br)ccc3c2=O)C(=O)c2ccccc21 2339155 QPWDRIQBBZIBKK-UHFFFAOYSA-N 381.181 4.018 30 40 GIEB CC1=CC(=O)/C(=C2/C[C@H](c3cnn(C(C)C)c3C)Nc3ccccc3N2)C(=O)O1 101942075 QCECODXXUBJUEF-BWVDKLOVSA-N 392.459 4.025 30 40 GIEB C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccncc1 3443491 AFKJTTSKRSZWLI-UHFFFAOYSA-N 389.484 4.291 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(nn(-c3ccccc3)c1O)N2 6139952 LKYVJEVECAONJA-SFHVURJKSA-N 375.403 4.282 30 40 GIEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)ccc1O 14011336 DRXSEFULVFKMPN-IECUCWQJSA-N 398.484 4.041 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccs1 19798497 VAFCCRUOBMQJCG-BUXKBTBVSA-N 385.510 4.344 30 40 GIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608319 LSUJEBPDDRYGCQ-YJYMSZOUSA-N 397.548 4.114 30 40 GIEB CCc1nc(C#N)c(NCc2ccc(OCc3ccccc3F)c(OC)c2)o1 72427745 ZKONVMWDBFBASP-UHFFFAOYSA-N 381.407 4.447 30 40 GIEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)ccc1OC 96248316 PTWQJNYKCHERCT-UHFFFAOYSA-N 377.444 4.054 30 40 GIEB CC/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1ccccn1 102960657 UAGHTCYHFPYDTQ-WVEDDVGXSA-N 387.306 4.177 30 40 GIEB C/C(=N\NC(N)=S)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917676 AKPCCIPQFSCLFK-IQXOTHEOSA-N 389.609 4.135 30 40 GIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 408877975 ZHFJJIUMTWVTHA-YVLHZVERSA-N 387.892 4.306 30 40 GIEB Cc1ccc(C)c(OCCCC(C)(C)C(=O)ON2C(=O)c3ccccc3C2=O)c1 2171432760 WOVQLSRAVFHFRF-UHFFFAOYSA-N 395.455 4.243 30 40 GIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1 2210571 AXDZQKUBYQGVKB-UGNPLGLKSA-N 381.501 4.284 30 40 GIEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1 3289317 CDCMVYNTPKERLD-SFHVURJKSA-N 383.448 4.408 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc(C)c1 3400740 UBDVQJFMESFPFA-FUHWJXTLSA-N 384.549 4.227 30 40 GIEB CCOc1ccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)cc1 5526392 QDHOMJWHQUJLAH-UHFFFAOYSA-N 386.498 4.394 30 40 GIEB NC(=S)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6344295 KBNBERBYARGDPQ-ZVHZXABRSA-N 391.496 4.012 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1NN=C(C(=O)c1ccccc1)C(=O)c1ccccc1 8396768 NMFBUHNSILDPGR-UHFFFAOYSA-N 387.395 4.437 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)OCc3ccccc3)ccc21 8958759 PUSRWPNHGIEODE-UHFFFAOYSA-N 380.444 4.373 30 40 GIEB Cc1noc2c1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 13730248 YMDJRFMDCABLRZ-OAHLLOKOSA-N 377.213 4.449 30 40 GIEB COc1ccc([C@H](CNc2oc(-c3ccccc3F)nc2C#N)N(C)C)cc1 27793559 IXSLMRJZYWQLNH-IBGZPJMESA-N 380.423 4.076 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@@H](C)CC[C@@]12C 35464047 OLDFOHABNQZMKB-GLIMYMAESA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro C=CCc1cc(/C=N/c2ccc(N(CC)CC)cc2)cc(OC)c1OCC(=O)O 59302735 SSNKKEHELDJAEH-BUVRLJJBSA-N 396.487 4.484 30 40 GIEB COc1ccc2c(c1)C[C@H](C)N(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]2C 96005920 BPEGBDSBSODPTN-ODPBWZCHSA-N 376.456 4.145 30 40 GIEB N#C[C@H](C(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)c1c[nH]c2cc(Cl)ccc12 104107106 LELOCRZOKWHBRP-KXBFYZLASA-N 391.814 4.230 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 917526 PHVMMMDKZXSHTG-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(F)cc2)c(C)c1)C(F)(F)F 2305954 ANBVVBHUUVJMOY-SFQCIDFKSA-N 383.341 4.198 30 40 GIEB CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C#N)C1 4275237 MHNCOKBNYRLEKH-UHFFFAOYSA-N 394.283 4.083 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc1 4663141 OWJPFJAUVVFLFX-DJKKODMXSA-N 387.739 4.257 30 40 GIEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC(C)=O 5163819 ISODOPQQAFQIHB-FOKLQQMPSA-N 399.834 4.277 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5884053 JZYVVQJSORNNFU-IBGZPJMESA-N 392.386 4.213 30 40 GIEB CCCCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OC 7333697 UREYCCMDSPYEIZ-VMPITWQZSA-N 381.428 4.101 30 40 GIEB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2=O)cc1 7983725 LNEFDNMUMOPNKJ-OAQYLSRUSA-N 396.446 4.492 30 40 GIEB CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1Cl 13747365 QLZZHCABVKIPQX-ZVBGSRNCSA-N 398.315 4.138 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cccc(C#N)c3)c2C)cc1 23510780 INQNIHYHNBDLAV-UHFFFAOYSA-N 388.423 4.014 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102802238 RKKOJCXYDREYOJ-CQVACKJZSA-N 382.419 4.264 30 40 GIEB O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)[C@H](O)Cc2ccccc2)cc1 245240608 QOKBYRYSSUNEBZ-JOCHJYFZSA-N 375.428 4.209 30 40 GIEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102930596 OWNCHJRMEPTOGW-UYTDBDHRSA-N 396.855 4.423 30 40 GIEB C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(CC)cccc12 4894987 XPBCCHCPRIWXBF-UHFFFAOYSA-N 381.476 4.393 30 40 GIEB N#CCCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1 3275003 WGJDCNBODFQFIG-UHFFFAOYSA-N 375.291 4.488 30 40 GIEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2373600 SSRUDYZBDPEOFM-KRWDZBQOSA-N 380.492 4.351 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7777436 LVIIYJRGZQVTOX-NSHDSACASA-N 385.395 4.366 30 40 GIEB CC(C)OCCCn1c(SCCCC#N)nc2cc(Cl)ccc2c1=O 5570625 OZDXZDJRQPUDRK-UHFFFAOYSA-N 379.913 4.261 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960008 UDZAZDDPMGKNSZ-BUXKBTBVSA-N 380.835 4.249 30 40 GIEB COc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)cc1[N+](=O)[O-] 226361911 LLFQVJGSRLLFEB-UHFFFAOYSA-N 387.351 4.378 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cc(OC)ccc1OC 4918640 GFRHDHSAMZTCMY-UGKGYDQZSA-N 398.430 4.162 30 40 GIEB C=CCc1cc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc(OC)c1OC 31328236 FGCUNPONUSKLOO-UHFFFAOYSA-N 384.428 4.001 30 40 GIEB N#CCCn1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21 3166500 QKQBEZZUIFVCLE-PCLIKHOPSA-N 391.906 4.364 30 40 GIEB C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1ccc2c(c1)OCO2 4646459 WXTLSUSDNJEQPB-ZVHZXABRSA-N 395.422 4.380 30 40 GIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5127673 KSIZVLKUYPWLOJ-UXBLZVDNSA-N 378.255 4.357 30 40 GIEB Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1C 12463103 QZQSOYGWLAUNRS-UGNPLGLKSA-N 381.501 4.202 30 40 GIEB N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1 13410340 NPKLNEYFRAZXIW-HIFRSBDPSA-N 395.212 4.197 30 40 GIEB biogenic CC(C)OC(=O)C(=O)/C=C(/Nc1ccc(Br)cc1)c1ccccc1 100087548 IQEYGVODKMEIMQ-SFQUDFHCSA-N 388.261 4.423 30 40 GIEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408847553 NNAUKNBKHVLKIV-FOKLQQMPSA-N 380.375 4.380 30 40 GIEB O=C(c1ccc2c(c1)OCCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242662 DMXDAWJLVXQTJK-UHFFFAOYSA-N 382.178 4.109 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCOC2(C)C)cc1 596714942 VVILRIXZPCDWNP-INIZCTEOSA-N 395.459 4.296 30 40 GIEB COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC 710224 OGHSAHFTIQDKIK-CMDGGOBGSA-N 398.484 4.176 30 40 GIEB COc1ccccc1NC(=O)/C(=C/n1c(=S)[nH]c2cc(C)ccc21)C(C)=O 1637546 ZNLHOLFJUABDLR-SDNWHVSQSA-N 381.457 4.085 30 40 GIEB Cc1csc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)n1 5938250 MAPFOPANWXNOED-DENIHFKCSA-N 389.528 4.322 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O 12539558 YSJPSJAWFNACRO-IBGZPJMESA-N 389.499 4.234 30 40 GIEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1N1CCCCC1 12564776 XLZKUVNDXAIVHI-GOSISDBHSA-N 376.504 4.008 30 40 GIEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1 14009064 IZBFZMYIZDNAEZ-HGRLKPHYSA-N 382.485 4.336 30 40 GIEB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 36398546 YCUQYENCZVDZRV-RBUKOAKNSA-N 391.515 4.016 30 40 GIEB N#Cc1c(NC(=O)CN[C@H]2CCCc3ccccc32)sc2c1CCCCC2 58137437 AZEYFOVFCDMJMG-IBGZPJMESA-N 379.529 4.494 30 40 GIEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102491566 XUKJMLFJXCMOIM-WOOAAIBNSA-N 377.371 4.041 30 40 GIEB C=CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 103371571 JZYLMJOTKKMWJR-BXWSFNFDSA-N 395.459 4.096 30 40 GIEB CCN1C(=O)/C(=C/c2cccc(OC)c2O)S/C1=N/c1ccc(OC)cc1 409240755 PRAMIUHWNWBQEZ-WIQPNEMMSA-N 384.457 4.033 30 40 GIEB CCc1cc(I)ccc1NC(=O)c1ccc(C#N)cc1F 725034 GDRHWHJXCQIPMT-UHFFFAOYSA-N 394.187 4.117 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccn1)n1c(nc3ccccc31)N2 7495990 IVDGEWPNUOIPNN-FPTDNZKUSA-N 382.423 4.440 30 40 GIEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccc(F)cc2)cc1 8559215 LKYSHYCMNQURAS-HTAPYJJXSA-N 388.446 4.450 30 40 GIEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC#N 106680701 YLPCZVPOBPDVHM-UYRXBGFRSA-N 394.452 4.224 30 40 GIEB COc1cc(OC)c(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1Br 943137 SNSDNNCLKUTJLN-GIJQJNRQSA-N 379.210 4.434 30 40 GIEB CCc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)cc1 9233358 ABUTUDSDIZMTLT-OAHLLOKOSA-N 393.512 4.053 30 40 GIEB COc1ccc(/C=C2/CCC[C@H]([C@H](NO)c3ccc(OC)cc3)/C2=N/O)cc1 104283727 LSPQAPMSPVMUIX-YTQKJAATSA-N 382.460 4.438 30 40 GIEB COc1cc2c(cc1NCC(=O)NC1(C#N)CCCCC1)oc1ccccc12 11619436 HHLGMBZQSWKESA-UHFFFAOYSA-N 377.444 4.349 30 40 GIEB CCOc1ccc(N/N=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 5023064 RGULCOGITBNSAU-QJOMJCCJSA-N 393.428 4.457 30 40 GIEB CCOc1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 409091892 VNIMRRVILUQIRX-ODCIPOBUSA-N 397.309 4.187 30 40 GIEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 5551392 DNZKYQXOFJVXKF-AUWJEWJLSA-N 377.784 4.279 30 40 GIEB O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1ccc(F)cc1)c1sc(=O)[nH]c1S2 28294899 QJOCSVAFZJZSJA-CYBMUJFWSA-N 395.436 4.146 30 40 GIEB COC(=O)c1ccc(C)c(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)c1 408914907 ZQPFYSKTWFZSEY-MTJSOVHGSA-N 379.372 4.396 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1Cl 408929116 HFCAVLQDOMIKDC-TWLDDXCASA-N 383.300 4.318 30 40 GIEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1 97466952 PRIWNSCJIYSOFO-GKVQKNEHSA-N 380.469 4.494 30 40 GIEB CC1(C)CC(=O)[C@H]2[C@@H](c3ccco3)N(C(=O)CS)c3ccccc3N[C@@H]2C1 13611951 IQKJLPLQZHVKRW-VOBQZIQPSA-N 384.501 4.083 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1 5376420 OWJGQTAQYRSXJI-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB Cc1cc(SCC(=O)N2CCC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 4270126 NWOWGLXKUSVBNJ-CQSZACIVSA-N 378.501 4.018 30 40 GIEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 38699950 MLOCKJSJQKEYJI-UHFFFAOYSA-N 381.435 4.404 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(Cl)cc1 100874453 CLNSNINTBMMMEP-HRGDMGKESA-N 383.904 4.403 30 40 GIEB Cc1ccccc1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1558508 WZUNVFIAAJWKIF-UHFFFAOYSA-N 390.223 4.129 30 40 GIEB O=C1[C@@H](/C=N/C2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 4673636 YLQWJKDVZDOEBK-PQDFQZGZSA-N 380.395 4.191 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 5456231 GDLLVIRGIDYXMY-RGVLZGJSSA-N 377.360 4.186 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)ccc1O 5551253 OCZRUGAJYIDLIR-ODLFYWEKSA-N 376.437 4.446 30 40 GIEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)o2)cc1 5795300 PXXOMVNADLFCLM-UHFFFAOYSA-N 384.505 4.079 30 40 GIEB N#CCN(C(=O)CSc1nccn1-c1cccc(Cl)c1)c1ccccc1 6657485 FHJOCUOREQUGAZ-UHFFFAOYSA-N 382.876 4.175 30 40 GIEB Cc1cccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nc3ccccc32)c1 8012394 JNAIVVBISXXLCA-JOCHJYFZSA-N 392.528 4.481 30 40 GIEB CSc1nc(NCCOC(=O)c2ccccc2)c(C#N)c(-c2ccccc2)n1 8844203 JMUDBGMXEFIHCR-UHFFFAOYSA-N 390.468 4.006 30 40 GIEB CCCC(=O)[C@@](C#N)(c1ccccc1)c1ccc(N/N=C(\C)C(=O)OCC)cc1 11692129 UWYKTCFSBPHYIJ-VAHWYXDJSA-N 391.471 4.216 30 40 GIEB N#Cc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 27154068 BJTBGQIHAYTZDZ-HXUWFJFHSA-N 376.456 4.016 30 40 GIEB N#CCCn1c(SCCC(=O)N2CCc3ccccc32)nc2ccccc21 32871099 KJXJEBFZAQSNMR-UHFFFAOYSA-N 376.485 4.021 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 77292704 BYEQBLYWMQBSKU-JQGGBATGSA-N 380.484 4.271 30 40 GIEB in-vitro Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc([N+](=O)[O-])cc3)c2)cc1 409064720 DTYDELKFJBQHJV-STZFKDTASA-N 396.424 4.422 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 102483956 XTRHMDDEVNOSMJ-SELCWUDQSA-N 379.437 4.271 30 40 GIEB Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCn1ccnc1 56529179 MOXKSEBJVVIFBW-UHFFFAOYSA-N 375.432 4.067 30 40 GIEB CCN1CCN(c2nc3ccccc3nc2Nc2sc(C)c(C)c2C#N)CC1 2331509 WWZCLTAMWFOWQH-UHFFFAOYSA-N 392.532 4.065 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12781936 CIHPQKVNMBPCKM-FQEVSTJZSA-N 380.473 4.036 30 40 GIEB CCOc1ccccc1C(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12 12983585 LRQAXYZOMYGEKF-CMDGGOBGSA-N 375.350 4.351 30 40 GIEB CC(C)(C)c1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(C(C)(C)C)c1O 409358292 LAUNUKYXVKCGHM-UHFFFAOYSA-N 393.487 4.285 30 40 GIEB CN(C)CCCN(C(=O)c1ccc(C#N)cc1)c1nc2c(Cl)cccc2s1 4359786 QCYJTEXKVJBOAF-UHFFFAOYSA-N 398.919 4.420 30 40 GIEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5981602 YZNCKVRYQFNLKQ-APSNUPSMSA-N 379.195 4.161 30 40 GIEB C=C(C)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC)c(C)sc21 32102064 HVCRZSSRVFEMNX-UHFFFAOYSA-N 378.501 4.143 30 40 GIEB O=C(O)CSC1=CC2=N[C@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=CC1=O 2109718 WPYJKQMHFATMFE-QKKBWIMNSA-N 384.501 4.030 30 40 GIEB biogenic O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102927070 JUYWBZVJRYHARF-LFVOPCPISA-N 377.371 4.041 30 40 GIEB NS(=O)(=O)c1ccc(/N=C\c2c3ccccc3nc3cc(Cl)ccc23)cc1 104268912 UXLSRSARRWXRDG-FMCGGJTJSA-N 395.871 4.439 30 40 GIEB CCOc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408731413 MFRFFIWVDXGFCJ-FQEVSTJZSA-N 382.485 4.090 30 40 GIEB Cc1ccc2nc(C3=C(N)N(c4ccc(Nc5ccccc5)cc4)CC3=O)[nH]c2c1 5182815 QRDKOFARXIXJQR-UHFFFAOYSA-N 395.466 4.332 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(C)cc1 4814803 ITEREMNHXXOADI-AWEZNQCLSA-N 399.545 4.324 30 40 GIEB CCC(=O)OCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 7995332 QIMZZYZNJQHDCW-UHFFFAOYSA-N 398.532 4.400 30 40 GIEB COc1cc(C#N)ccc1OCc1cc(=O)oc2cc(Br)ccc12 9437989 NAGFVDRZEHWDQU-UHFFFAOYSA-N 386.201 4.015 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(C)c2)cc1OCC 33380653 ZPFOEUJFNWNTGP-UCQKPKSFSA-N 384.476 4.480 30 40 GIEB Cc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084933 FFPFFCDCZSWADU-PGMHBOJBSA-N 379.243 4.296 30 40 GIEB O=C(O)CCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 8306400 KAQXUUKFVPWZJC-CIAFOILYSA-N 394.456 4.059 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccco1 9763889 HSHITRVZFSOVCY-QGZVFWFLSA-N 380.787 4.111 30 40 GIEB CCOc1ccc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1 907362 QBYGBANYOZKBHY-KDOFPFPSSA-N 383.517 4.292 30 40 GIEB N#Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1Cl 13005061 YRQXRJFUQHJVSN-RMKNXTFCSA-N 393.874 4.102 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 6623630 DPLAKDYXNCVBQM-OUKQBFOZSA-N 387.483 4.222 30 40 GIEB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 7060935 KPWDEMQXPCZNRZ-UHFFFAOYSA-N 382.876 4.437 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 7794825 JSMNYTHJSJTUNU-ZHACJKMWSA-N 378.482 4.354 30 40 GIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccco3)cc12 409275540 JZHXMWDQXRSFMP-UHFFFAOYSA-N 385.379 4.294 30 40 GIEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 27028282 VDOPXKPCQKWHHL-UHFFFAOYSA-N 379.455 4.200 30 40 GIEB C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219679644 QVHQSVXFTXLGLS-CYBMUJFWSA-N 376.250 4.420 30 40 GIEB N#CCc1cccc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)c1 594115844 JGXMZKCXHXTCQP-UHFFFAOYSA-N 375.350 4.462 30 40 GIEB COc1ccc(C(=O)[C@H]2O[C@@H]2c2csc(C)n2)c(OCc2ccccc2)c1 5748711 GGYZYJRALXQSLM-NHCUHLMSSA-N 381.453 4.362 30 40 GIEB COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OCC#N 3360795 OKORYZUKNDOEOK-YCRREMRBSA-N 387.233 4.012 30 40 GIEB C/C(=N\O)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 5184204 IAECMPBTDNTNHK-WYMPLXKRSA-N 398.816 4.279 30 40 GIEB O=C(/C=C/Nc1ccc(F)cc1F)c1ccc(I)cc1 5569374 IAXADPWDBKOFLW-BQYQJAHWSA-N 385.151 4.378 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccccc1 8429307 AWYLGJHTOGGQJA-UHFFFAOYSA-N 397.504 4.147 30 40 GIEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC 10412385 NOWMPBONPUHTJD-HXUWFJFHSA-N 396.487 4.473 30 40 GIEB C=CCN(CC(=O)Nc1sccc1C(=O)OCC)Cc1ccc(Cl)s1 12896084 BHSUQRLPFJOPGZ-UHFFFAOYSA-N 398.937 4.266 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccccc2F)cc1 16741310 CMMYISSXDABZJR-HXUWFJFHSA-N 393.414 4.155 30 40 GIEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)c1 18197173 XFWNFIUJYSRAHO-QFIPXVFZSA-N 395.455 4.286 30 40 GIEB C=CCOc1ccc(Br)cc1/C=N/NCc1ccccc1OC 20761256 UFGZNCRLTRUASP-FYJGNVAPSA-N 375.266 4.146 30 40 GIEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 20762247 INOAKPUBEZNXAT-OEAKJJBVSA-N 391.427 4.306 30 40 GIEB N#CC1(C#N)[C@@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)C1(C#N)C#N 20841551 XIEYOUHIQAGYNM-QZTJIDSGSA-N 392.249 4.446 30 40 GIEB C=C(C)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC(C)C)csc21 32103268 GCPPXSFEGSXUJJ-UHFFFAOYSA-N 392.528 4.471 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F 97104930 PNTDIEXDDQEUDV-PGRDOPGGSA-N 398.430 4.162 30 40 GIEB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@H](C(=O)C1=CCC=C=C1)c1ccccc1 104285776 LWLQRDQENYMWAO-WMZHIEFXSA-N 391.854 4.182 30 40 GIEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 130797845 JITPLJPUOVNZHA-UHFFFAOYSA-N 382.435 4.171 30 40 GIEB CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 136859744 RFZFDBLSMFWOCR-UHFFFAOYSA-N 388.148 4.381 30 40 GIEB C=CCc1cc(/C=N/c2ccc3ncccc3c2)cc(OC)c1OCC(=O)O 408848648 ROUKODJUTDHFJQ-ZMOGYAJESA-N 376.412 4.186 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)C(=O)N1CC 408852429 FSJADRFZFPGWMA-ICSPAVNMSA-N 384.457 4.265 30 40 GIEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@@]312 2061000718 ATLJNLYIJOCWJE-LSCGRMNGSA-N 384.516 4.258 30 40 GIEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 2158188 ZAHRHPWKSCPDMI-NDENLUEZSA-N 376.364 4.432 30 40 GIEB biogenic CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 2887895 AIULKYHSYOLDON-UHFFFAOYSA-N 382.485 4.201 30 40 GIEB aggregator CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc2c(c1)OCO2 4009965 UKBCAPHDNOLMDY-HXUWFJFHSA-N 399.446 4.353 30 40 GIEB C=CCn1c(SCCOc2ccccc2OC)nnc1-c1ccccc1F 4735881 OODSZSBIPISQRP-UHFFFAOYSA-N 385.464 4.450 30 40 GIEB COc1cc(/C=N/Nc2ccccc2C(F)(F)F)cc(OC)c1OC(C)=O 5163467 ZFTLNJPATKFVOR-LSHDLFTRSA-N 382.338 4.094 30 40 GIEB C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c1C 5185508 PYDKNJBTSZPLLA-MDZDMXLPSA-N 380.469 4.340 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)cc2OC)cc1 7939562 IAMVDIGWJAZBFL-RMKNXTFCSA-N 377.234 4.371 30 40 GIEB C=CCn1c(SCc2nc(-c3ccsc3)no2)nc2ccsc2c1=O 8877611 LVKMIGDRXOLJGQ-UHFFFAOYSA-N 388.499 4.048 30 40 GIEB CCn1cc(/C=C2/Oc3c(ccc(OCC#N)c3C)C2=O)c2cc(OC)ccc21 9420785 FKNAYIJLMGWKHR-SRZZPIQSSA-N 388.423 4.497 30 40 GIEB CCCCCCCCCCCCCCOS(=O)(=O)[C@H]1CCS(=O)(=O)C1 100839107 GVVVMQNPWBKWDH-SFHVURJKSA-N 396.615 4.221 30 40 GIEB CN(C)CCO/N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926506 VDVFPECJIDUPKS-CUFJGHKNSA-N 376.585 4.324 30 40 GIEB Cc1ccc(OCc2nc(SCc3ccccc3F)nc(N)c2C#N)cc1 223687248 ISMZRHKKEJMYSW-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225050011 NXCIVDLQXJBOHO-UHFFFAOYSA-N 383.469 4.238 30 40 GIEB N#C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225644796 GSLJDNRDKBGXJH-BZUAXINKSA-N 396.693 4.182 30 40 GIEB CC1(C)Cc2cccc(OCC(=O)[C@@H](C#N)c3nc4ccccc4s3)c2O1 2649197 TXMRJPUPGXCTPB-CQSZACIVSA-N 378.453 4.265 30 40 GIEB Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348694 NZIRFFWKZRMZRI-KRWDZBQOSA-N 377.469 4.100 30 40 GIEB C=CCn1c(C)nnc1SCc1nnc(-c2c(-c3ccccc3)noc2C)o1 8315395 HFUMMHYDBFIBOQ-UHFFFAOYSA-N 394.460 4.078 30 40 GIEB CN(C)N1C(=O)C[C@@H](c2cccc(F)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 1432866 SJPMIDWHYOCAHE-MJGOQNOKSA-N 378.447 4.019 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C)cc1 101650819 COCLDVJSNZEWJZ-MLSMKVKPSA-N 381.501 4.148 30 40 GIEB CC[C@H](C)c1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 17945738 SMVILGAUYCTKEA-SJCJKPOMSA-N 398.466 4.031 30 40 GIEB COc1ccc(CCC(=O)NC/C(=N\Nc2ccccc2)c2ccccc2)cc1 18195122 LUDLPOWGUHWHFK-SLEBQGDGSA-N 387.483 4.260 30 40 GIEB Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4945098 PFZIKKVOVIDYFJ-BFUOFWGJSA-N 380.835 4.249 30 40 GIEB C=CCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 7062371 YVSLZXVADDNCPS-BOPFTXTBSA-N 384.229 4.358 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC(F)F 7325170 LYTBPRKNGYIMLD-ONNFQVAWSA-N 387.382 4.320 30 40 GIEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccc(Cl)cc2)c1 225861257 NDYBESGLSDTUJG-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778847 ZWOMBDPJKQIBTM-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB CCn1ncc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c1F 252487755 IBFQUJJCDAPDBD-CNHKJKLMSA-N 394.273 4.374 30 40 GIEB CC1(C)OB(c2ccc(OCc3ccccc3)cc2OC(F)(F)F)OC1(C)C 382774686 ZFPMEIIBDBBHCP-UHFFFAOYSA-N 394.198 4.463 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccc(C)c1 3400733 UBDVQJFMESFPFA-SJLPKXTDSA-N 384.549 4.227 30 40 GIEB N#Cc1cccc(Oc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)c1C#N 6526552 AOUQAMNBFZDINA-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB Sc1nnc(-c2ccncc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1475275 FOGQLMVFMRNOQF-OEAKJJBVSA-N 387.468 4.090 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1 100926353 NHOLDGJSIDSXOK-LNINBKOHSA-N 398.528 4.232 30 40 GIEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1O 408781003 PQFCWRHVSLAGLY-QUYTYNJFSA-N 396.512 4.291 30 40 GIEB Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 15231754 NZOOXNBUMWHGJZ-INIZCTEOSA-N 387.892 4.205 30 40 GIEB N#Cc1c(-c2cc3c(cc2Br)OCO3)c(-c2ccccc2)c[nH]c1=N 408978333 IHDCGLWPWWMPTB-UHFFFAOYSA-N 394.228 4.191 30 40 GIEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225839430 DHPPIJYYABCPPF-QGZVFWFLSA-N 397.544 4.136 30 40 GIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223749069 CHOZSKCTJMHPQV-KQWNVCNZSA-N 393.846 4.205 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 5446319 MBCZJNFOAJRFJN-CTNGQTDRSA-N 391.467 4.061 30 40 GIEB CCc1cc(Br)cc2c1NC(=O)/C2=N\c1cc(OC)ccc1OC 13856035 NHDPSDIZTJUZCU-UHFFFAOYSA-N 389.249 4.102 30 40 GIEB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 4280361 XWTXFRHUZAHAHM-UHFFFAOYSA-N 389.864 4.040 30 40 GIEB COc1ccc2cc(/C(C)=N/NS(=O)(=O)c3cc(C)ccc3C)ccc2c1 6684136 NKHILHJZGWIYDV-CJLVFECKSA-N 382.485 4.168 30 40 GIEB Cc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c([N+](=O)[O-])c1 6965656 YPSKMJSVHCUSSR-UDWIEESQSA-N 380.429 4.484 30 40 GIEB N#Cc1c(NC(=O)CCSCc2ccc(C(=O)O)cc2)sc2c1CCC2 25058546 WANRSCOEMWLMID-UHFFFAOYSA-N 386.498 4.069 30 40 GIEB C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1ccc2c(c1)OCO2 1506474 BFGSCICBZOPICD-HZHRSRAPSA-N 376.460 4.002 30 40 GIEB O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)c2ccccc21 59490082 YFJLTLNTNZJHRL-UHFFFAOYSA-N 376.412 4.438 30 40 GIEB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1 12574287 QSJQKKOQJWDMOU-UHFFFAOYSA-N 387.464 4.027 30 40 GIEB CC(C)C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 4614554 CKIVCXHYXRCMMA-HTXNQAPBSA-N 395.322 4.178 30 40 GIEB CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(C)cc1 5717281 UKUSFYIOXFHOEV-AFEQLLIESA-N 385.435 4.018 30 40 GIEB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)o2)cc1C 4912875 POWQVKAUWUBFDN-CQSZACIVSA-N 378.457 4.344 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 110706348 JLKWHQQJCWAXJA-QGOAFFKASA-N 396.472 4.333 30 40 GIEB C=CCOc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1 225628356 LTWMYWNOHLKUGM-UHFFFAOYSA-N 386.517 4.188 30 40 GIEB N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2cccs2)no1 55844387 FCFGVYHFNDLSMY-UHFFFAOYSA-N 375.413 4.469 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 5433037 SHELBKQVJORADB-QKVFXAPYSA-N 393.512 4.304 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(OC)cc1 5855458 RIDWQTNQHNTHID-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB CCCCOC1(NC(=O)c2ccc(Br)cc2)C(C)=CC(=O)C=C1C 16807581 PHPYTTVSSOPWPB-UHFFFAOYSA-N 392.293 4.167 30 40 GIEB CCOC(=O)/C(=C/Nc1cc(C(C)(C)C)sc1C(C)=O)C(=O)C(F)(F)F 100205884 SQRRGJJUDPOZFJ-CSKARUKUSA-N 391.411 4.239 30 40 GIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCc4ccccc4C3)nc2c1 1354448 QXHKBKUFZYCGSZ-UHFFFAOYSA-N 387.508 4.400 30 40 GIEB N#Cc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3378558 SWCSVECSPQELLU-UHFFFAOYSA-N 396.402 4.349 30 40 GIEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 4084452 YAQZADIVHNJNMJ-RBFBNPFJSA-N 377.396 4.071 30 40 GIEB biogenic COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12795743 FPBSPVYRLTUAHD-ZDUSSCGKSA-N 395.484 4.175 30 40 GIEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20647764 CBABSOFYVGGRAR-MTJSOVHGSA-N 395.455 4.359 30 40 GIEB C/C(=N\OCC(=O)N(CC(C)C)CC(C)C)c1nc2ccccc2n1C(F)F 22322431 RXGADWSKHDMWQU-BUVRLJJBSA-N 394.466 4.313 30 40 GIEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCCC2)C1=O 22625636 ZZERDUKIXWTYOP-STZFKDTASA-N 379.456 4.393 30 40 GIEB biogenic CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)O 100097400 JQAGDVDTMKMJIR-UHFFFAOYSA-N 398.477 4.066 30 40 GIEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(Br)cc2)cc1 224740950 WHSMLUVJTSHWQX-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB C#CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 226307129 ROPACWBILSLNBL-UHFFFAOYSA-N 393.620 4.112 30 40 GIEB O=S(=O)(NCc1ccc(/C=N/c2ccccc2F)o1)c1ccc(Cl)cc1 408785452 GAHOHLDUGQIALC-SRZZPIQSSA-N 392.839 4.301 30 40 GIEB O=C(O)c1cccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409029689 AGMCVEASWKUOJL-HCGXMYGOSA-N 398.234 4.359 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409174528 NBEDEEXGSZSUAF-PXNMLYILSA-N 399.815 4.356 30 40 GIEB Cc1ccc(CN2CCCC[C@H]2c2csc(=Nc3ccc(C#N)nc3)[nH]2)o1 585294950 WIUZNIGZGWKIKS-IBGZPJMESA-N 379.489 4.204 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)c(OC)c1OC 7717801 NRMDEAJWUFHBBT-UXBLZVDNSA-N 377.234 4.371 30 40 GIEB C/C(=N\OCC(=O)OCc1cccc2ccccc12)c1ccc2c(c1)OCO2 7977424 UEZBZKVLNDCVBA-HZHRSRAPSA-N 377.396 4.053 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 102803610 SBOGDRNDVZUSAU-GHNGSUTGSA-N 394.814 4.263 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCOCC3)o2)cc1 27748860 XRFMHCYJXLWUHS-NRFANRHFSA-N 388.471 4.007 30 40 GIEB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C1 36396316 FMNQGRWINUEGBF-IBGZPJMESA-N 375.516 4.039 30 40 GIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 13692898 OLCCUGVYALNOTI-HAHDFKILSA-N 398.462 4.483 30 40 GIEB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5429238 XFRZTBZDCUBMAG-CTFRJJSNSA-N 393.483 4.236 30 40 GIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCC(C)C)[nH]c(=O)c32)cc1 4793501 LOUQWVKUFDSHDU-KRWDZBQOSA-N 395.528 4.391 30 40 GIEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 7989135 FYQJIMQXROQJFE-MDWZMJQESA-N 377.893 4.267 30 40 GIEB N#Cc1cccnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8157154 NGSINWCLFXHDLT-OAHLLOKOSA-N 394.481 4.078 30 40 GIEB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3SCCC#N)CC2=O)c1C 95953475 OAHBJCPQCYAPOZ-KRWDZBQOSA-N 393.512 4.301 30 40 GIEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2CCCCCCC2)CC1 43804064 ABLJNOGSJQLQGE-UHFFFAOYSA-N 396.491 4.252 30 40 GIEB CC(C)(C)[C@@H](COc1ccccc1)/N=C1/NC(=S)N(CC#N)C12CCCCC2 1435836 YAWSLUMWOXCJLO-GOSISDBHSA-N 398.576 4.295 30 40 GIEB C=CCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 19719371 IEKQKBKOESHVHD-INIZCTEOSA-N 375.520 4.253 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960116 JOTONHVMDUSERY-KUHUBIRLSA-N 392.484 4.317 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(/CCc2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 4567009 UNLWEJKWIIVZIR-PYCFMQQDSA-N 391.387 4.347 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(\Cl)C=NNc2ccc(Cl)cc2)cc1 255004352 ZQWNBRWRPDCOPU-FKGPLHHQSA-N 381.215 4.360 30 40 GIEB CCC(C)(C)C1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 4979663 LPQVNGAZRIGSPI-UHFFFAOYSA-N 381.498 4.164 30 40 GIEB N#C[C@H]1C=C(OC(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 651206 JINKPBGRSFNWDA-LJQANCHMSA-N 380.403 4.437 30 40 GIEB CC[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4c(=O)o3)c2C#N)C1 1095827 YLJCVGDEEVRVMM-GFCCVEGCSA-N 378.453 4.493 30 40 GIEB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 4737192 CKLAPKVEJOKEHE-LCKYSSFXSA-N 382.504 4.145 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)cc1 6381890 UYECOPGXTUCKPY-QPJJXVBHSA-N 375.218 4.220 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1Cn1cccn1 6847128 SRIFJJSNEVBDOL-YCRREMRBSA-N 384.382 4.438 30 40 GIEB CCOc1cc(/C=C2\Cc3c(O)cccc3C2=O)cc(Br)c1OC 11336061 FRAQGPQZSGDTMX-KPKJPENVSA-N 389.245 4.384 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)Oc1ccccc1 13850472 VZGCUZSDDNVCQS-MRXNPFEDSA-N 394.500 4.335 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1C 17242412 LAKOQJCNXOHSFQ-YQMDHOPXSA-N 397.475 4.280 30 40 GIEB CSc1nc(NCCOC(=O)C(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 19794145 IEAOTICOALQUDD-UHFFFAOYSA-N 390.896 4.002 30 40 GIEB C=CCn1c(SCc2cccs2)nnc(NCc2ccc(C)cc2)c1=O 28538735 KEIFEAKQVIBVGK-UHFFFAOYSA-N 384.530 4.099 30 40 GIEB CCOc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCC3)cc1 35682705 HJTZANPHWBEJSS-UHFFFAOYSA-N 381.883 4.324 30 40 GIEB CCOc1ccccc1NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2 95471996 JHJLJFZMYUOFMY-UHFFFAOYSA-N 381.501 4.270 30 40 GIEB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccccc3OCC#N)C2=O)cc1 106783718 GUHGIAHLUAYPBR-RGEXLXHISA-N 394.452 4.013 30 40 GIEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)c2ccccc21 643526 BYARYYIOAOGGNB-RUZDIDTESA-N 395.462 4.453 30 40 GIEB N=c1n(/N=C/c2ccccc2)cc(-c2ccccc2)n1CC(=O)c1ccccc1 711907 QRWBBYGVSMOSNR-LZKMZOPCSA-N 380.451 4.201 30 40 GIEB COc1ccc(NC(=O)CCSc2nc(C)c(Cl)c(C)c2C#N)cc1 1425206 MFVDAAXTTHFMFC-UHFFFAOYSA-N 375.881 4.353 30 40 GIEB COc1ccc2oc(=O)c(-c3csc(N/N=C/c4ccccc4)n3)cc2c1 4784956 DCWYRWGMGIPNKS-SRZZPIQSSA-N 377.425 4.371 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 4816267 AMDLXQODPHIHQI-CYBMUJFWSA-N 385.518 4.015 30 40 GIEB CC[N+]1(C)CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)/C=C/c2ccccc2)C1 5809208 ZHAKLYFQWBJDPB-RZDWYXQXSA-N 376.520 4.200 30 40 GIEB O=[N+]([O-])c1ccc(N/C(O)=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 8514204 OEFPAMZVNMXPEP-UHFFFAOYSA-N 392.419 4.237 30 40 GIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)C(C)(C)C 12406556 YFYOGOFPDSXNDK-UHFFFAOYSA-N 392.496 4.247 30 40 GIEB C=CCN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1ccccc1 60347455 HLQYFNWDOQKKIJ-UHFFFAOYSA-N 384.892 4.453 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102045722 WSGNOKFXYZAWOH-GOSISDBHSA-N 391.858 4.384 30 40 GIEB O/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)cc1Cl 104291394 FTSMJSLJKOUTRA-PXNCGERRSA-N 398.633 4.208 30 40 GIEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 225887420 FYYHVLNWUMPMFX-UHFFFAOYSA-N 381.819 4.223 30 40 GIEB C=CCNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 3280137 MKDXBOCLPDGBOS-UHFFFAOYSA-N 387.501 4.458 30 40 GIEB aggregator C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccc(C#N)cc1 3344183 UAOXSFPNIFNWGC-SNVBAGLBSA-N 379.641 4.380 30 40 GIEB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(C#N)c(C)c1C 7059706 WXCGIJKYKUFCDW-NSHDSACASA-N 379.407 4.415 30 40 GIEB N#Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 7062107 BOCJAONJEYCUES-MRXNPFEDSA-N 382.514 4.350 30 40 GIEB COc1cc(OC)c(/C=N/NCc2ccccc2Cl)cc1Br 8811513 XVCXIGPYBCSSLB-KEBDBYFISA-N 383.673 4.243 30 40 GIEB C=C(C)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1 9379062 TYQPBNVBBFFNLJ-LBPRGKRZSA-N 394.591 4.392 30 40 GIEB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 14187730 CIKLZIBXEBNWKT-XMMPIXPASA-N 381.435 4.192 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59248420 TZBFDURJLJQLSZ-YBFXNURJSA-N 377.238 4.180 30 40 GIEB C=CCc1cc(/C=N/c2cc(Cl)ccc2OC)cc(OC)c1OCC(=O)O 59249928 SNYZGQIXTKDMRS-SSDVNMTOSA-N 389.835 4.300 30 40 GIEB CCOC(=O)/C(=C/c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])CC#N 95079955 YDDGBMMTEJHUFA-JXMROGBWSA-N 378.253 4.109 30 40 GIEB C=CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cccc(OC)c21 100909803 TUMPJKQQCSXURK-VZCXRCSSSA-N 381.482 4.248 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1Cl)C(C#N)C#N 101497128 XBNBQHZZJCMRHC-PMACEKPBSA-N 376.847 4.121 30 40 GIEB N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](Cc1ccccc1)c1ncco1 594248369 NTJDQTKUWGTOTC-SFTDATJTSA-N 386.455 4.207 30 40 GIEB CCc1nn(-c2cc(Oc3ccc(C(C)C)cc3)nc(SC)n2)c(N)c1C#N 632522 CCEUQEDXHGQCFI-UHFFFAOYSA-N 394.504 4.316 30 40 GIEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1 1032208 UTACMQFEMOHFHS-UHFFFAOYSA-N 377.473 4.308 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1OC 2454376 VMEYAKOBEAELHZ-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OCC 5016780 DAWVKNJVPPWRNE-GZTJUZNOSA-N 399.805 4.234 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccc(C)c4)nc3c2[C@H]1c1ccco1 5345349 NIJYTUMDOBFNNH-SFHVURJKSA-N 386.411 4.080 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 6295888 JPUNCUMZYULSFM-UHFFFAOYSA-N 398.919 4.439 30 40 GIEB C=CCN/C(S)=N/N=C\c1ccc(OCc2cccc(Cl)c2)c(OC)c1 12374200 RTZMCHRNHBRMNE-UUYOSTAYSA-N 389.908 4.323 30 40 GIEB N#CCCn1cc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)c2ccccc21 20265843 MEECEOLMYUVBFG-CPNJWEJPSA-N 394.500 4.035 30 40 GIEB C=CCn1c(C)nnc1SCC(=O)N1c2ccccc2CCc2ccccc21 23055296 KJZWXDVWKNLSFU-UHFFFAOYSA-N 390.512 4.328 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(CC(=O)O)cc1 32915316 RUPSKUNOCROKDS-VAWYXSNFSA-N 380.831 4.357 30 40 GIEB C[C@]12CN(C(=O)COc3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@H]1CC[C@]23C 35986560 SVEFWROYAQKXMX-UCVSXLDNSA-N 379.287 4.303 30 40 GIEB COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1O 60203500 RICBHRSQVINVSI-ZHACJKMWSA-N 378.428 4.108 30 40 GIEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 97466901 OSIGCWPDADVNTL-PKEPYMRNSA-N 392.480 4.331 30 40 GIEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccccc2Cl)c1C 157755685 PRTBQOIFHHIGEE-UHFFFAOYSA-N 380.835 4.032 30 40 GIEB CC(C)(C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(F)cc(C#N)c1 509536100 ARDIQSASOMZVRM-UHFFFAOYSA-N 382.826 4.453 30 40 GIEB N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100359 JAFVSHPLAVNNPP-DEOSSOPVSA-N 391.490 4.358 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1 891577 IZODITIEMPJVLQ-KBXCAEBGSA-N 383.517 4.292 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 2063664 WUSLVXDSCKQSOK-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB C[C@@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1 5780297 XLGYRJVRKBWJCV-OAHLLOKOSA-N 390.464 4.374 30 40 GIEB N#C[C@H](c1ccccc1)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl 7641865 YRPHHKVQBRWNJP-FUHWJXTLSA-N 385.920 4.461 30 40 GIEB N#Cc1cccnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 8157153 NGSINWCLFXHDLT-HNNXBMFYSA-N 394.481 4.078 30 40 GIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 40266722 OMQVGGPEDAVJDG-VLIAUNLRSA-N 388.427 4.058 30 40 GIEB N#Cc1ccc(NC(=O)CN(Cc2ccccc2)c2nccs2)cc1Cl 72308676 ZYBIPLMGSIZBEE-UHFFFAOYSA-N 382.876 4.313 30 40 GIEB Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)c1 101650943 LQHFURDYYZKMEF-VEGAHXMMSA-N 381.501 4.202 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccs2)sc1C 102799865 KFZWSPWPPPRAHK-UYTDBDHRSA-N 396.493 4.448 30 40 GIEB Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc13)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4945112 DWSSTSHOVUXMSV-QMHKHESXSA-N 395.466 4.484 30 40 GIEB CCOCCN1C(=O)/C(=C/c2ccc(C#N)cc2)S/C1=N/c1ccccc1 103586601 MXHOANFQGZANPN-QUUARBKMSA-N 377.469 4.199 30 40 GIEB NS(=O)(=O)c1ccc(CC/N=C/C2=C(O)/C(=C/c3ccccc3)CCC2)cc1 33710157 ALTREUJMJNUFBK-NZWMEJTDSA-N 396.512 4.027 30 40 GIEB C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1Oc1ccccc1 3490982 AOEDVRVRRNCYHP-UHFFFAOYSA-N 380.473 4.296 30 40 GIEB Cc1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)N2CCOCC2)cc1 27793516 DNTVFTBZUAFFNU-OAQYLSRUSA-N 388.471 4.007 30 40 GIEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1Cl 18276194 VPZXHVRZJHNBFN-CQSZACIVSA-N 394.283 4.241 30 40 GIEB N#Cc1cnc(SCC(=O)c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F 4090756 PVRNNAQKLHIRTI-UHFFFAOYSA-N 391.296 4.361 30 40 GIEB Cc1c(/C=C/c2ccc(-c3ccccc3Br)o2)n[nH]c(=O)c1C#N 7324885 CIPAEVFWWISSAM-SOFGYWHQSA-N 382.217 4.143 30 40 GIEB COc1ccc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)cc1Cl 7706354 GREBHSZFJIKGGY-UHFFFAOYSA-N 399.859 4.361 30 40 GIEB CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17246089 JIYSFYQXEUAPPT-UHFFFAOYSA-O 380.899 4.243 30 40 GIEB C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 409378126 MHEILOOQRVSLGR-GOSISDBHSA-N 386.473 4.028 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CC)C1 72391206 BBZZTKYMAKXLTD-HSZRJFAPSA-N 396.556 4.279 30 40 GIEB N#CCSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344127 BZDBVJXJJMONLU-WDEREUQCSA-N 385.301 4.203 30 40 GIEB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)cn1 585295102 ZZWZPQITZIMXQO-QFIPXVFZSA-N 395.470 4.305 30 40 GIEB C=CCNC(=S)N/N=C/c1ccc(-c2ccc(C)cc2Br)o1 2053779 YLHPRQHYWZRXKD-VXLYETTFSA-N 378.295 4.002 30 40 GIEB C=CCc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1O 17299886 FNWIVNVUFYRHHX-LICLKQGHSA-N 398.846 4.270 30 40 GIEB CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)c(C)cc1O 19596533 YFRMNBMWUWGACG-LVZFUZTISA-N 380.897 4.227 30 40 GIEB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc1Cc1ccccc1 5312488 IYUZDFQAMOUGJV-HNNXBMFYSA-N 376.485 4.300 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccs1)Nc1nonc1N2 40283748 BUGIKRMWCVTBOD-GTNSWQLSSA-N 382.420 4.250 30 40 GIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(Cc1cccnc1)CO2 32501358 PFVJOXVULCULMU-FBHDLOMBSA-N 384.435 4.358 30 40 GIEB CC(C)OC(=O)CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2 1903419 KCWFWCWYLAZZPC-UHFFFAOYSA-N 394.496 4.112 30 40 GIEB COC(=O)c1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C)cc1 4660315 BSXZCSDSVDAYGW-OLDUXTPLSA-N 378.453 4.263 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 4803073 YUYNCILUEXAJJP-YEJXKQKISA-N 393.512 4.304 30 40 GIEB COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c1 6662417 PGRNIXSOOOMFFA-JAIQZWGSSA-N 387.391 4.234 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 6869796 WOGRTAMZIYJAAS-UNOMPAQXSA-N 395.484 4.153 30 40 GIEB N#CCSc1ccccc1NC(=O)CNc1ccccc1Br 11621359 WROIUPJTNHBWSJ-UHFFFAOYSA-N 376.279 4.115 30 40 GIEB COc1ccccc1C1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(C)C)cc1 16186429 YLZYEDWOXHFQSH-BZZOAKBMSA-N 398.466 4.285 30 40 GIEB O=S(=O)(/N=C(\Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1 16777062 AQNAWFNTYSFZJQ-UHFFFAOYSA-N 395.670 4.395 30 40 GIEB Cc1ccccc1CSc1nc(N)c(C#N)c(COc2ccccc2C)n1 223683449 OMYAHPGZHOLEHU-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 408916913 IOOPNWJSDLDSPJ-DEDYPNTBSA-N 393.464 4.252 30 40 GIEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1[N+](=O)[O-] 409300557 ZTDZUVGBLXHYJR-UHFFFAOYSA-N 376.416 4.235 30 40 GIEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1ccco1 796009 XZVHHHDPBRHFSC-SFHVURJKSA-N 379.437 4.162 30 40 GIEB C=CCc1c(OCC(C)=O)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 8792586 POHSGLRSBOJKIW-UHFFFAOYSA-N 382.419 4.288 30 40 GIEB biogenic Cc1nc(SCC(=O)N[C@@H]2CCCOc3ccc(F)cc32)c(C#N)c(C)c1C 56192566 HSTVPLHEMQZTIY-GOSISDBHSA-N 399.491 4.140 30 40 GIEB C=CCc1ccccc1OC[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 28297113 XWBFUTJXHMMCPE-HNNXBMFYSA-N 376.378 4.224 30 40 GIEB N#CC1CCN(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)CC1 58265284 PCEXJHASMXXBDB-SFHVURJKSA-N 378.501 4.306 30 40 GIEB Cc1cc(Br)ccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 3487057 ZXTKLTAXWQPDEO-UHFFFAOYSA-N 378.657 4.333 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2C#N)C1 9217505 CTFDURLUTOYPPQ-SNVBAGLBSA-N 388.876 4.421 30 40 GIEB COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(O)c(Cl)c3)n2)cc1 66543508 DVJKVNBWLQXIOL-ZDUSSCGKSA-N 385.832 4.063 30 40 GIEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351254 JDBPWCPMDGNPJM-VWLOTQADSA-N 398.506 4.301 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 1529314303 BBQKUOPRSPNSMM-BFCXTRNYSA-N 392.458 4.380 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(F)cc1 4189399 RTLPBYJEMADABF-UOXRKKOCSA-N 380.419 4.057 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 100339828 AXGLADQVUKIHHX-APWDBTFUSA-N 388.467 4.158 30 40 GIEB C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 105629397 NSTQSQCBZNTYLE-OALUTQOASA-N 391.515 4.016 30 40 GIEB C=CCN1C(=O)/C(=C/c2c[nH]c3cc(OC)ccc23)S/C1=N\c1nccs1 54361085 BDAYZZUDIGKCOC-KISZYUCXSA-N 396.497 4.423 30 40 GIEB C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3ccccn3)c(C)c2cc1Cl 9344359 QCKVPNSIHZGJBQ-UHFFFAOYSA-N 398.846 4.286 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 4457560 JBCYWAPYMMMPRH-BZSISCHUSA-N 383.561 4.383 30 40 GIEB CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 4450368 GBJWABJKOOVKKW-DNVJHFABSA-N 383.451 4.076 30 40 GIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(Cl)cccc3Cl)c2)c1 5863874 AYPCIXMGAWLDBG-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB N#CC1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCCC1 4925760 QEXOAHKPOUNBCJ-UHFFFAOYSA-N 399.520 4.088 30 40 GIEB C#CCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1535647389 NOCXFRKABFNAHB-UHFFFAOYSA-N 389.451 4.126 30 40 GIEB Oc1nncc(N/N=C\c2cccc(Oc3ccccc3)c2)c1Br 31833888 IDNHXAJCCGUXJI-GRSHGNNSSA-N 385.221 4.183 30 40 GIEB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)cc1 213792580 XRLMNKPIOMLVQN-AQTBWJFISA-N 395.509 4.061 30 40 GIEB CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 97949478 GILXCAIVZMCKIM-UHFFFAOYSA-N 380.558 4.066 30 40 GIEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 97464859 CIJSYBNENWUONX-VJGKAAADSA-N 394.452 4.183 30 40 GIEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 5007646 CETXZSUKXHKTMJ-PDGQHHTCSA-N 384.432 4.291 30 40 GIEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122381 VSMKFIJOQLDHTG-MHWRWJLKSA-N 382.876 4.480 30 40 GIEB N#CC1(C#N)[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)C1(C#N)C#N 20841545 XIEYOUHIQAGYNM-ROUUACIJSA-N 392.249 4.446 30 40 GIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 2631735 HKRJOEQWUOKBMZ-HXUWFJFHSA-N 393.915 4.258 30 40 GIEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccc(Cl)c1 4800579 JHFGSGBKEKAXKQ-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB N#Cc1ccccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 6889438 XOHBQBXLAHIVSD-RGVLZGJSSA-N 377.316 4.081 30 40 GIEB CCOc1ccccc1-c1nc(CC(=O)Oc2ccc(C#N)cc2OC)cs1 14777284 PYHZRTCYCRUIGP-UHFFFAOYSA-N 394.452 4.237 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccnc3ccccc13)n1ncnc1N2 18200907 CKMKNQFZVCPGIX-YEJXKQKISA-N 399.479 4.304 30 40 GIEB CCc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 103834776 RHWJRQUHCDWNJF-NKWDDMGQSA-N 381.501 4.148 30 40 GIEB O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)[C@@H](O)Cc2ccccc2)cc1 245240609 QOKBYRYSSUNEBZ-QFIPXVFZSA-N 375.428 4.209 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(C)c(C)c2c1=O 784814 XHXUNKAHDWIKBP-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1O 10118755 YJIITMVDVOHNMS-KEBDBYFISA-N 383.673 4.331 30 40 GIEB C=CCN(CC=C)C[C@@H](O)Cn1c(-c2ccc(OC)cc2)cc2ccccc21 938474 FMGXULXOUJWKBG-OAQYLSRUSA-N 376.500 4.352 30 40 GIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1CC=CCC1 9483169 FXJVOSSDVORWEP-QMHKHESXSA-N 393.531 4.033 30 40 GIEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C(C)=N\Cc1ccccc1 17077362 NQDBKUKPTPBHOK-JCMHNJIXSA-N 378.432 4.036 30 40 GIEB C#CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408577243 YUQKOHHJODGQCK-MRXNPFEDSA-N 384.819 4.251 30 40 GIEB C[C@@H](Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 600617673 NHSSSEFDZRJRCJ-CHWSQXEVSA-N 396.878 4.121 30 40 GIEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cccs1 3217864 HWZOUFYRESOUKE-LPYMAVHISA-N 375.453 4.228 30 40 GIEB O=[N+]([O-])c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2348545 GOOQPHLVRPCNFW-LSCVHKIXSA-N 394.243 4.331 30 40 GIEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccccc1 934549 YGYAGKWZWMWUDV-UHFFFAOYSA-N 384.233 4.500 30 40 GIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@@]2(O)CC(C)(C)CC(=O)[C@@H]12 1017296 NMOVZZLGMACDGB-IZIIKQMZSA-N 398.499 4.146 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1nc(-c3cccnc3)nc1N2 6732400 ALYSGHLGDOWAEH-SFHVURJKSA-N 377.835 4.016 30 40 GIEB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N 12627256 KAIMAHMWVRTOHS-SFHVURJKSA-N 378.501 4.174 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C)cc1 14082391 KVAQKIVJVBBSFC-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CCCC[C@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 18164423 IWYLPXNBDRALDH-NHKNDPDJSA-N 388.514 4.197 30 40 GIEB C=CCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27994521 PPFOCESMHDPYTP-UHFFFAOYSA-N 394.496 4.356 30 40 GIEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1Br 34895456 UGGSXTHXRAQHKT-JAIQZWGSSA-N 391.265 4.145 30 40 GIEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611404 MPSUDLYJVZKWGW-UFWORHAWSA-N 380.832 4.155 30 40 GIEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 57600736 YQXCQOOCMWBICS-HMXCVIKNSA-N 376.610 4.338 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(OC)cc1 97104935 HCFQXICDECPPPX-GMAHTHKFSA-N 393.483 4.081 30 40 GIEB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H]21 104085831 IPTGADYNRWJWSJ-CJRSTVEYSA-N 388.463 4.134 30 40 GIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225026783 OTDXSZMPWXERGR-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1 408724368 DISGYGVTDAFCPF-DPQRXVJKSA-N 394.858 4.440 30 40 GIEB CCOc1ccc(/C=N\Cc2ccc(OC)cc2)cc1I 408904214 GOCDLLULRTZRNM-UNOMPAQXSA-N 395.240 4.318 30 40 GIEB COc1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1OC 3314138 WHKZKIUKKXLTGA-UHFFFAOYSA-N 388.423 4.092 30 40 GIEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccco3)c2CO1 4139269 JVGNGBFQZGKZSW-UHFFFAOYSA-N 388.423 4.326 30 40 GIEB Cc1ccc(-c2ccc(/C=N\N=C3\NC(=O)[C@H](Cc4ccccc4)S3)o2)cc1 4719566 NOCJOAFKKLQBQD-FVHJOOJJSA-N 389.480 4.419 30 40 GIEB N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1C#N 6591919 UUCIQTKZHPOGCK-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 101650815 VEIBAXDVYDCVOL-QCLNCQLRSA-N 381.501 4.148 30 40 GIEB CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccccn1 102960722 BWNKNBFWHGMRNS-RMIDURQFSA-N 393.335 4.238 30 40 GIEB COC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218472120 PJVUXKTVOIOLOO-SQNIBIBYSA-N 396.295 4.089 30 40 GIEB C=CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 408744265 ZGHZBFFYUZDPOD-WOJGMQOQSA-N 376.210 4.368 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC 408763929 GLZKBBNABGNCIA-ZHZULCJRSA-N 392.480 4.161 30 40 GIEB C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N 590989852 OYUSRATWIHTCGH-ONGXEEELSA-N 375.188 4.124 30 40 GIEB COc1ccc(/C(=N/N=C2/OC(c3ccccc3)=CC2=O)c2ccccc2)cc1 1439991 WQCJMGQRDPZSCS-OGGGYYITSA-N 382.419 4.487 30 40 GIEB COc1ccccc1N1C(=O)C[C@]1(C#N)c1ccc(OCc2ccccc2)cc1 4472923 LVXDMAKCDDVKDZ-DEOSSOPVSA-N 384.435 4.430 30 40 GIEB C=CCNC(=S)N/N=C/c1ccc(OCCCOc2ccc(C)cc2C)cc1 4614006 JBLNFPFBXQZIQT-LFVJCYFKSA-N 397.544 4.135 30 40 GIEB C(#CCN1CCC(Cc2ccccc2)CC1)COCCOCc1ccccc1 5076600 RMRONPTYYGNPGU-UHFFFAOYSA-N 377.528 4.178 30 40 GIEB C[C@H]1CCc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)C1 5347649 QULJDXSJQIDKBT-LKYUAURQSA-N 377.473 4.015 30 40 GIEB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C#N)cc2)cc1 8074753 LQKQYXGOFPJPDM-UHFFFAOYSA-N 384.482 4.024 30 40 GIEB N#Cc1c(NC(=O)CNc2ccccc2N2CCCCC2)sc2c1CCC2 9884647 ANXXTWBKJIBUFO-UHFFFAOYSA-N 380.517 4.149 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1C 17242416 LAKOQJCNXOHSFQ-GOTYSUTNSA-N 397.475 4.280 30 40 GIEB CCOC(=O)c1oc2c(c1C)/C(=N\OC(=O)c1ccccc1Cl)CCC2 33332385 MRDLVCBUWXLXCH-STZFKDTASA-N 375.808 4.316 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc1 35318188 OWJPFJAUVVFLFX-OCKHKDLRSA-N 387.739 4.257 30 40 GIEB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(F)c2C#N)CC1 69780594 FKLPXGUZLBKEGZ-FQEVSTJZSA-N 386.515 4.276 30 40 GIEB O=C(O)c1cccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408542694 NGSHSVQYXWDZDW-FOKLQQMPSA-N 388.379 4.430 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CSCC#N)c2C(=O)c2ccccc2)C1 512318167 LIVOUUKYLCLJPO-ZDUSSCGKSA-N 384.526 4.299 30 40 GIEB C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1cccc(C#N)c1 610361148 RWCRXLOYSOYKHR-LBPRGKRZSA-N 395.260 4.202 30 40 GIEB N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 1232529 JXXIPFXSLCWZLE-BHIFYINESA-N 383.426 4.206 30 40 GIEB C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OCC 2116948 JWTLHACGNNERCG-NBVRZTHBSA-N 383.469 4.048 30 40 GIEB CCC(=O)OC1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 3204832 PGYPBUBXPPHACC-UHFFFAOYSA-N 385.213 4.193 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1C 4919840 MFMYOKFTJOOHBO-WMZHIEFXSA-N 394.467 4.332 30 40 GIEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c1 4944883 QQPZIJRVKBVNNT-GOSISDBHSA-N 377.440 4.231 30 40 GIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@H]1COc2ccccc2O1 6910611 LHOAVUHZZLYSMB-LJQANCHMSA-N 390.468 4.141 30 40 GIEB COc1ccc(CC(=O)N2CCCS/C2=N\c2ccc(C(C)=O)cc2)cc1 12632354 SHMWOMLIRMTACU-DQRAZIAOSA-N 382.485 4.094 30 40 GIEB Clc1cc(/C=N\Nc2ccc(I)cc2)cc(Cl)n1 33376841 NDNJGQBKWONSAA-APSNUPSMSA-N 392.027 4.439 30 40 GIEB Ic1cccc(/C=N/Nc2nc3ccccc3s2)c1 59426531 FEKPKTHZJFSRJW-CXUHLZMHSA-N 379.226 4.347 30 40 GIEB O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccc(F)cc1)c1sc(=O)[nH]c1S2 101174739 QJOCSVAFZJZSJA-ZDUSSCGKSA-N 395.436 4.146 30 40 GIEB O=C(/N=C(\N=C(/c1ccccc1)N1CCOCC1)c1ccccc1)c1ccccc1 104210710 FJMXHQHBQGWAQX-CUKMQVATSA-N 397.478 4.053 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 823545 APYZXHVQSCBSJN-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 936294 HKIJCANYMUHNHC-YSKGHYERSA-N 382.485 4.414 30 40 GIEB N#Cc1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCCC2 2316578 QZNWJDHPYHYFNH-UHFFFAOYSA-N 375.544 4.006 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 3098461 OBEPGWIAWIQQOL-HXUWFJFHSA-N 396.443 4.049 30 40 GIEB CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1cccc(C(=O)O)c1 4677321 VQPKCKYHHVTWJN-MSYUKONTSA-N 382.441 4.017 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 4910244 SEOIMAQWTFOOJZ-IBGZPJMESA-N 389.499 4.234 30 40 GIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c(Cl)c1 409075766 XVMIPIYGOIMRQZ-DJKKODMXSA-N 387.739 4.257 30 40 GIEB CC1=CC(C)(C)N2C(=O)/C(=N/OC(=O)Nc3ccccc3)c3cc(C)cc1c32 2033970150 FLQSYKDHJRNMMZ-HKOYGPOVSA-N 375.428 4.490 30 40 GIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 4331409 PQSJYLBARRUNCE-HNNXBMFYSA-N 396.516 4.077 30 40 GIEB N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1ccc(Br)o1 4723513 LSLFGRJAKJKTSW-UHFFFAOYSA-N 392.036 4.021 30 40 GIEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1 4871872 HYGFGRVTSGYLOV-WSDLNYQXSA-N 379.432 4.397 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(C)cc2)C2=C(C[C@@H](C)CC2=O)N1 4944098 CIKSFOZLSBNQIW-QRQCRPRQSA-N 387.483 4.243 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2cccc(Cl)c2Cl)cc1 6016647 JLXIMGLICGVRFH-QGZVFWFLSA-N 379.195 4.295 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(C(F)F)cc2)c1C#N 6545691 MVYSKOPOGASUDU-UHFFFAOYSA-N 377.416 4.077 30 40 GIEB Cc1cc(N/N=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc2n1 6545860 SCAAMMROMQOLPV-UHFFFAOYSA-N 381.233 4.074 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 13137334 DEBQMKJVXSCFKA-GORDUTHDSA-N 375.218 4.125 30 40 GIEB CC(C)=NN[C@@H]1S[C@H](NN=C(C)C)N(c2ccccc2)N1c1ccccc1 16138678 CRWVFZWQQBBINS-BGYRXZFFSA-N 382.537 4.199 30 40 GIEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc(OC)c1OC 16768451 DQPKSIDCSPJFGR-WLBISTCBSA-N 397.475 4.225 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(C)C)C1 19447908 LTQZYHGCAWITQY-XMMPIXPASA-N 377.532 4.084 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccccc1Cl 19959834 RRGYKHWKFHQLMH-CLAHSXSESA-N 382.773 4.218 30 40 GIEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@H]4CCCO4)o3)o2)cc1 21785420 GSNLZTFFYCGMOH-MRXNPFEDSA-N 379.416 4.285 30 40 GIEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C 24441078 CYCDXTRIZOSDNU-ZIAGYGMSSA-N 395.956 4.094 30 40 GIEB CCSc1nnc(-c2ccco2)n1/N=C/c1cc(Br)cs1 36611392 FDKGWALVAUWPJP-VIZOYTHASA-N 383.296 4.356 30 40 GIEB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(F)(F)F 95671144 DODLENXBAALXTM-UHFFFAOYSA-N 392.223 4.169 30 40 GIEB N#Cc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc(C(F)(F)F)nn32)cc1 102247129 DQSADJQFQKEFKN-MRXNPFEDSA-N 385.324 4.364 30 40 GIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 997758 VCHKCIQLVSLJOO-UHFFFAOYSA-N 394.500 4.082 30 40 GIEB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)n(-c2ccccc2)c1C 1753236 GGIHERFRPJROFL-UHFFFAOYSA-N 375.384 4.409 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(Cl)\C=N\Nc2ccc(F)c(Cl)c2)cc1 2163209 PEDTXOITXZVMDG-RVOBBTTLSA-N 399.205 4.499 30 40 GIEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 3098459 TUPJSKAHXISOSB-HXUWFJFHSA-N 396.443 4.049 30 40 GIEB C/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(Br)cc1 4474631 GFGOLMQZWFFIGQ-JLFVMOFQSA-N 388.290 4.309 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O 4889077 RBGDPVLILJKLTM-OTRXNDEBSA-N 396.472 4.147 30 40 GIEB O=C1/C(=C\c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 5274935 LUTHZOIKUWZJOP-HMMYKYKNSA-N 375.449 4.115 30 40 GIEB COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c1 6671615 BUDJJUOGJOGBTE-JMIUGGIZSA-N 387.391 4.234 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O 12539561 YSJPSJAWFNACRO-LJQANCHMSA-N 389.499 4.234 30 40 GIEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@]2(O)c2ccccc2)c(C)c1 13004870 IXXYUWTUWVIMBW-VWLOTQADSA-N 399.446 4.190 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)no1 17206993 SINSFKMHUYOLBZ-KRWDZBQOSA-N 398.802 4.321 30 40 GIEB BrC(=C\c1ccccc1)/C=N/N1CCN(Cc2ccccc2)CC1 19771392 DYNORDCFBLDDQF-IJDGKNKPSA-N 384.321 4.226 30 40 GIEB Cc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N2CCOCC2)cc1 27750022 OEPLMPHQZDVBSL-GOSISDBHSA-N 394.500 4.069 30 40 GIEB CCCC(CCC)=N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(C)cc1 59475401 YXDRKDQYXFHKOZ-XOMICKMZSA-N 375.494 4.230 30 40 GIEB N#C[C@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 95455105 ZZPFLFOALGXKGW-LBPRGKRZSA-N 385.880 4.118 30 40 GIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122347 MUKVORPAMVCEMY-MHWRWJLKSA-N 382.876 4.480 30 40 GIEB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CO/N=C/c2ccc(OC(F)F)cc2)C1 102793601 PYAYWCJDXQXNSX-CHZGEWRKSA-N 380.435 4.066 30 40 GIEB N#C[C@@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)C(=O)c1c[nH]c2cc(Cl)ccc12 104107117 LELOCRZOKWHBRP-DNVCBOLYSA-N 391.814 4.230 30 40 GIEB C=CCc1cc(OC)ccc1OCCOCCN1CCCC[C@@H]1c1cccnc1 8744414 ABUQETYFLPMPLJ-HSZRJFAPSA-N 396.531 4.441 30 40 GIEB biogenic CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 57364365 YEGMVVQALKDYCY-MRXNPFEDSA-N 396.516 4.255 30 40 GIEB Cc1cccc(C(=O)OCc2cn3ccccc3c2C#N)c1NC(=O)c1ccco1 12840370 WUAOORPIJMBJGR-UHFFFAOYSA-N 399.406 4.322 30 40 GIEB COc1cc(Br)cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)c1O 408820174 VVHAYTHMDPXZFC-UHFFFAOYSA-N 396.244 4.177 30 40 GIEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 4391605 QTKMUCNLAAIDMO-XNTDXEJSSA-N 391.345 4.316 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Cl 409009078 UZVBUHIAKQQMCE-MQMKENTISA-N 380.897 4.138 30 40 GIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408947257 ZXSALTQERLDVQY-OVCLIPMQSA-N 390.208 4.483 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 23881101 SCUKQJFONFOFOV-UHFFFAOYSA-N 387.508 4.245 30 40 GIEB C=CCN(Cc1nc(N)c2ccccc2n1)Cc1ccc(Br)s1 57364798 SRACKOVHRVOOCS-UHFFFAOYSA-N 389.322 4.224 30 40 GIEB O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NCCc1ccccc1 100413170 KMGMROKGLUVIJZ-QQXSKIMKSA-N 376.431 4.314 30 40 GIEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCCCCCC)cnc21 2417774 DNTDSQBZKWFPPP-UHFFFAOYSA-N 375.476 4.451 30 40 GIEB N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCN(c2ccccc2)CC1 4074952 MGKZZYFYSWXUAM-UHFFFAOYSA-N 394.862 4.105 30 40 GIEB COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1OC 13777433 SNDZSDARMREWTQ-WQRHYEAKSA-N 382.412 4.272 30 40 GIEB biogenic COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCOCC(F)(F)F)cc1 60351471 XAZMMPRQLNVOIJ-UHFFFAOYSA-N 394.349 4.267 30 40 GIEB CC(=O)N(C)Cc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 7735406 RCLMPMKPNAKJLN-UHFFFAOYSA-N 398.462 4.465 30 40 GIEB Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1Cl 408799822 LQBLBKNOYCXMIZ-PAEMTNLTSA-N 386.879 4.073 30 40 GIEB CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)N1CC 408929792 OEPDTODEIGGYMT-UMWYYCSLSA-N 398.488 4.314 30 40 GIEB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66091504 QOOFZULKKXERPL-NRFANRHFSA-N 397.515 4.498 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 5814629 FNUVSVWVVGZASM-OEAKJJBVSA-N 398.459 4.026 30 40 GIEB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCCC2 100148478 PBOVVOGJFCDMCH-GZTJUZNOSA-N 380.448 4.356 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccccc2F)cc1 12390960 QLKVHSDCQICCME-KRWDZBQOSA-N 397.406 4.237 30 40 GIEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20815532 OCPAOTDJPUHFGY-UHFFFAOYSA-N 398.466 4.378 30 40 GIEB O=S1(=O)CC/C(=N/Nc2ccnc3cc(Cl)ccc23)c2cc(F)ccc21 33042714 AEMKWUQKUYHWPU-KQWNVCNZSA-N 389.839 4.021 30 40 GIEB CCc1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35673078 BBAWIVIJAAUCCY-OAQYLSRUSA-N 387.487 4.420 30 40 GIEB N#Cc1ccc(OC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 36447037 YHZBKKYRILPZDX-IERDGZPVSA-N 396.537 4.069 30 40 GIEB CC(C)=N/N=c1\[nH]c2cc(C)c(NC(=O)COc3ccc(C)cc3)c(C)c2s1 72228766 DHTLVTNLMJYWPE-UHFFFAOYSA-N 396.516 4.469 30 40 GIEB C#CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cccc(OCC)c21 100910100 KZPQDNFJBPFIPJ-XDOYNYLZSA-N 393.493 4.086 30 40 GIEB O=C1/C(=N\Nc2cc(Cl)cc(Cl)c2)c2cccc(F)c2N1C1CSC1 223756405 RNRWJIGVEDQXSB-JCMHNJIXSA-N 396.274 4.411 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(F)cc3F)o2)c([N+](=O)[O-])c1 408603437 QUIJRQYSWIEBLG-AWQFTUOYSA-N 388.286 4.487 30 40 GIEB CC(=O)Oc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243168 QKTMNEOONVPQGC-UHFFFAOYSA-N 382.178 4.263 30 40 GIEB CN(C)N1C(=O)C[C@H](c2ccc(F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1432873 SLTFKUGIBYNLBL-IEBWSBKVSA-N 378.447 4.019 30 40 GIEB COc1ccccc1/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59302874 PACZCHUMLNJXID-FSJBWODESA-N 392.411 4.250 30 40 GIEB COc1cccc(/N=C2/N=C(O)S/C2=C\c2cc3ccccc3n(C)c2=O)c1 72401517 HPXBZPFGAWLXGA-WQRHYEAKSA-N 391.452 4.279 30 40 GIEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302762 MMKBSQFDKLCPBN-YDZHTSKRSA-N 376.412 4.110 30 40 GIEB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(C#N)c2)c(OC)c1 10950763 QJACNCAOPVWGGU-JOCHJYFZSA-N 385.423 4.347 30 40 GIEB C=CCNc1nnc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)s1 69946444 VULFBHDKMXCWME-UHFFFAOYSA-N 387.509 4.242 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C)cc2)cc1 16741318 NFGYKZRFMHUYIX-NRFANRHFSA-N 389.451 4.324 30 40 GIEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Br)c(N2CCCC2)o1 408852135 IOTBMXHWHFEXOT-ZDLGFXPLSA-N 394.225 4.310 30 40 GIEB COc1cc(N2CCCCC2)c(OC)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408592158 LFYFLCMKDNOIPG-HYARGMPZSA-N 399.447 4.153 30 40 GIEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1 409060448 VFJRYDVHCXERKA-DLTWUOELSA-N 396.468 4.407 30 40 GIEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)c2ccccc2)cc1 32868751 ZPVUIVRWCCIKPT-UHFFFAOYSA-N 388.471 4.049 30 40 GIEB COc1cc(C)c(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(C)c1C 529099505 XTJPPBMCTVNIQZ-UHFFFAOYSA-N 393.487 4.320 30 40 GIEB C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 195800671 NSBRKSWSLRQPJW-AERDPVEMSA-N 396.487 4.354 30 40 GIEB COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC 3280777 BCRWCXZBKZZSQJ-DJKKODMXSA-N 384.288 4.331 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](C)Oc1ccccc1 13850474 VZGCUZSDDNVCQS-INIZCTEOSA-N 394.500 4.335 30 40 GIEB CC/N=C1\S[C@H](Cc2ccccc2OCc2ccc(F)cc2)C(=O)N1CC 6348085 GBKDPFCUVKLJRV-HVSLCEISSA-N 386.492 4.287 30 40 GIEB C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 6421049 VASRJIHSDTWQOQ-XEHSLEBBSA-N 388.345 4.161 30 40 GIEB CSc1nc(Cl)c(/C=N/OC(=O)c2ccc(Cl)cc2)c(Cl)n1 2570667 OIAGLSBKYPAWKX-UBKPWBPPSA-N 376.652 4.350 30 40 GIEB COC(=O)c1sc(NC(=O)COc2c(C)cc(C)cc2Cl)c(C#N)c1C 20100702 FYGNWOWIIOZJTC-UHFFFAOYSA-N 392.864 4.003 30 40 GIEB O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102542154 OMPFECNTEZOZFN-MOBKVPTQSA-N 383.447 4.351 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1C 2624644 DMFWBCLBXJKMEE-UHFFFAOYSA-N 384.480 4.201 30 40 GIEB CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccccc1N(C(=O)CS)[C@H]2c1ccco1 9936856 IQKJLPLQZHVKRW-UAOJZALGSA-N 384.501 4.083 30 40 GIEB C=CCNC(=S)NCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 100681585 XDCDMOBKUJEUJP-DARPEHSRSA-N 394.569 4.099 30 40 GIEB CC(C)C(=O)C1=C(O)C(=O)N(c2cc(F)cc(F)c2)[C@H]1c1ccccc1F 58306413 VUVIOVFAMWHCMA-KRWDZBQOSA-N 375.346 4.229 30 40 GIEB C/C(=N\NC(N)=S)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918169 GAYVUWZJMHOLMM-XDEMAJBFSA-N 391.625 4.215 30 40 GIEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(C)C)c(OC)c1)O2 5047924 FQTGLAHXUFXARQ-JMIUGGIZSA-N 382.412 4.133 30 40 GIEB biogenic,in-vitro C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2ccc(OC)cc2[nH]1 5348357 LGMGEPJOTAJGIS-UHFFFAOYSA-N 380.444 4.022 30 40 GIEB N#Cc1c(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cn2ccccc12 14850200 PMFBTGRXLLCHNS-UHFFFAOYSA-N 395.633 4.105 30 40 GIEB Cc1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409030022 BPXLKHYDDCBLQK-DENHBWNVSA-N 381.089 4.471 30 40 GIEB C#CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 409231248 ITQANPPKWRMCJB-QSAWGAGVSA-N 380.444 4.462 30 40 GIEB O=[N+]([O-])c1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 253616962 HFGIHQMJIYXAIG-UHFFFAOYSA-N 398.466 4.316 30 40 GIEB COc1ccc(N/N=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 5023840 KGIFFZZLRWTMAE-JWGURIENSA-N 379.401 4.067 30 40 GIEB CCc1ccccc1NC(=O)CSc1nc2cc(OC)ccc2cc1C#N 1354706 UOAUIYUSRWRKAD-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)N1CC 59104999 CKQCOLZYDYXKMR-ICSPAVNMSA-N 384.457 4.265 30 40 GIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)C#N 104815659 NGELDEVXXJTSEB-MOPGFXCFSA-N 396.372 4.491 30 40 GIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1O 18197504 PDVKLODPMFZVHL-OAQYLSRUSA-N 393.439 4.330 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)cc1 110704735 ZAGCPVIKIPTHMV-QGOAFFKASA-N 395.484 4.123 30 40 GIEB Cc1cc(SCC(=O)N2CCCCCC2)n2c(nc3ccccc32)c1C#N 4485081 AWBSFUOOYDTJMU-UHFFFAOYSA-N 378.501 4.162 30 40 GIEB CC1CCN(c2nc(SCCN3CCCC3)c(C#N)c3c2CCCC3)CC1 6759719 WUUMORKRTKKNLU-UHFFFAOYSA-N 384.593 4.256 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4945099 PFZIKKVOVIDYFJ-YJYMSZOUSA-N 380.835 4.249 30 40 GIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=N\CCO)CC[C@H]4[C@@H]3CC[C@@H]2C1 118929213 QWEJYPZKJJWPEX-YTIOJCNYSA-N 375.553 4.394 30 40 GIEB COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1[N+](=O)[O-] 408723733 GKOXTPSSRGUGLU-LICLKQGHSA-N 383.429 4.112 30 40 GIEB Cc1ccccc1COc1nn(Cc2ccc(Br)cc2)c(N)c1C#N 225843548 PLGBZDOSMZHGEW-UHFFFAOYSA-N 397.276 4.035 30 40 GIEB COC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243144 MTEWNENGQGFVGG-UHFFFAOYSA-N 382.178 4.124 30 40 GIEB CC(=O)O[C@H]1CC[C@@H]2[C@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C[C@]12O[C@]32C 6614743 WWRTWBNTOJMLIU-RODCHWBLSA-N 390.520 4.024 30 40 GIEB CCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 665461 GTSBXWFBWNMVIW-UHFFFAOYSA-N 387.229 4.319 30 40 GIEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 409235325 ZQDWOVDSCFSMNR-KFBYJWCXSA-N 383.429 4.227 30 40 GIEB C/C(=C\C(=O)c1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 13148192 QSGOLTKVVIVSBG-DUVHGLKDSA-N 390.936 4.151 30 40 GIEB C[C@H]1CN(c2ncc(/C=N/Nc3ccc(C(F)(F)F)cc3)s2)C[C@H](C)O1 4091797 HYYWNEZYJFHABR-UJTGOLBTSA-N 384.427 4.222 30 40 GIEB C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1 14196440 ZBCOUIHNYDXWND-UHFFFAOYSA-N 384.457 4.155 30 40 GIEB CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1 4681821 BGUIYNYNPMXXBE-YUCJCZDXSA-N 391.855 4.069 30 40 GIEB C/C(=N\OCC(=O)NCc1ccco1)c1ccc(OCc2ccc(C)cc2)cc1 96292654 NNKFRLSXNGKCRB-XIEYBQDHSA-N 392.455 4.224 30 40 GIEB C[C@H](c1ccccn1)N(CC(=O)Nc1sccc1C#N)Cc1ccccc1 95456008 QKIIQRKMZGCREL-MRXNPFEDSA-N 376.485 4.217 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 97001602 CEPMXUWESVAOSF-NSHDSACASA-N 378.335 4.010 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1 35311899 QARNHTMGTLJXRC-UHFFFAOYSA-N 381.432 4.375 30 40 GIEB Cc1nc(C#N)c(N2CCC(c3nc(-c4cccc5ccccc45)no3)CC2)o1 570884922 VEKDPTOIFCVRTK-UHFFFAOYSA-N 385.427 4.442 30 40 GIEB O=C/C(=N\Nc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Br)cc1 100406375 IYDUEVYWWWGMCI-HYARGMPZSA-N 399.166 4.318 30 40 GIEB COc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1OC 3352815 XRXGVJTUMSEBET-UHFFFAOYSA-N 388.423 4.260 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 4078430 QUELKSAFLBRAMT-HYARGMPZSA-N 393.468 4.444 30 40 GIEB C=CCN(CC=C)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4246532 PAQUYHXFPJWRLK-UHFFFAOYSA-N 388.496 4.328 30 40 GIEB COC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C#N)c1C 4454694 MZNMNRZRRPCTPW-UHFFFAOYSA-N 392.864 4.003 30 40 GIEB CC(=O)c1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 4849055 FNABDMWXEVPBEB-UHFFFAOYSA-N 375.453 4.348 30 40 GIEB CC(=O)C1=C(C)/C(=N/Nc2cccc(C(=O)NC3CCCCCC3)c2)N=C1C 13015644 VYIOXVGWPHIDCI-QLYXXIJNSA-N 380.492 4.245 30 40 GIEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 13879906 YWASONMCGVRIGU-QQMHEVNUSA-N 379.501 4.055 30 40 GIEB COc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19861269 CYCFKJOMTSSBSV-ITYLOYPMSA-N 383.495 4.417 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1C1CC1 23517349 SPOMGDHAWVULLA-ZDUSSCGKSA-N 379.489 4.009 30 40 GIEB CCCCCCCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 97998518 BRJOWVQVXIDKRF-UHFFFAOYSA-N 398.507 4.330 30 40 GIEB C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C#N)c1ccc(OCc2cccnc2)cc1 596134109 DKWPCXKKYDAYCZ-LRQRDZAKSA-N 378.476 4.103 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2c1 917547 XUIKEFZWDUUDIJ-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2c1 1223602 CRVIGZJFWXEYBI-UHFFFAOYSA-N 391.452 4.048 30 40 GIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N 4738194 OFBRQKOZWPYCKS-JJFYIABZSA-N 391.387 4.022 30 40 GIEB C=CCSc1nnc2n(CC=C)c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 5047398 WRBMWHURFAXIMO-JOCHJYFZSA-N 392.528 4.246 30 40 GIEB C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 5416226 GFXXJTHGSNYVOU-NQIIRXRSSA-N 377.469 4.293 30 40 GIEB COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(Cl)cc1Cl 5676012 YFGKKCMZFXYPFK-GZIVZEMBSA-N 377.231 4.055 30 40 GIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 6922369 IKFGSJBXZAZOFR-GFCCVEGCSA-N 383.542 4.488 30 40 GIEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 6959474 AOKRGQGUWASNJI-UKWGHVSLSA-N 383.231 4.218 30 40 GIEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2N2CCCC2)cc1 7256494 XVBBBYKRYSGJKI-UHFFFAOYSA-N 375.501 4.340 30 40 GIEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Nc2ccccc2)cc1 8844125 ZFPBYPROZXJWHI-UHFFFAOYSA-N 381.439 4.023 30 40 GIEB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1ccc(C#N)cc1 12515260 STTMPRNTCOUHAS-HXUWFJFHSA-N 391.496 4.058 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C(=O)c2ccccc2)cc1 13563328 QFFUSKREBNHDRV-DAFNUICNSA-N 382.423 4.108 30 40 GIEB N#Cc1ccccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 15362218 YMCJAINOZRNCGJ-SFHVURJKSA-N 386.523 4.018 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 20059209 YUYNCILUEXAJJP-ASSNKEHSSA-N 393.512 4.304 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccs1)Nc1nonc1N2 40283752 BUGIKRMWCVTBOD-DIFFPNOSSA-N 382.420 4.250 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)S2)cc1 408961241 LPJPGMVRTLGYJE-QZRSKMOPSA-N 379.485 4.209 30 40 GIEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)c1 12062919 TZZBTXJKRNPPIA-NRFANRHFSA-N 387.435 4.397 30 40 GIEB CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 2750580 ZFDOKSBOFUOSOD-UHFFFAOYSA-N 379.482 4.083 30 40 GIEB CN(C)c1ccc(/C=C/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 8627734 TXOBEVDYMLFYEO-SHVGQUPYSA-N 382.577 4.185 30 40 GIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(Br)cc3)C2=O)s1 108053738 PGSOGFPVEFKIJS-IKKFDYCRSA-N 394.319 4.281 30 40 GIEB C=CCOC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 3635770 YQXHCUSIKMJHBK-UHFFFAOYSA-N 381.387 4.211 30 40 GIEB CCOC(=O)c1c(C)[nH]c(C)c1C1=NN/C(=N\c2cccc(Cl)c2)SC1 13102605 NWRAQHXNGNPLBA-UHFFFAOYSA-N 390.896 4.190 30 40 GIEB C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cccc(C#N)c1 72304542 PFMUJRUQMJBOQL-OAHLLOKOSA-N 399.479 4.358 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 5186421 JRVRNBYUKIAXTL-ZQFKLAOWSA-N 390.442 4.129 30 40 GIEB O=C(O)/C(Cc1ccccc1)=N\Nc1nc2ccccc2nc1Cc1ccccc1 6240294 IKZPTSSNSZLPCT-QYQHSDTDSA-N 396.450 4.316 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 4436333 VTZLRCVRHOIKFO-QGZVFWFLSA-N 384.505 4.057 30 40 GIEB Brc1cc(/C=N/Cc2ccccc2)oc1I 408952584 LXCFRULGNKHLAQ-OVCLIPMQSA-N 390.018 4.266 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 409107083 URJPSCYCQLLFLP-NTEUORMPSA-N 382.279 4.459 30 40 GIEB CCc1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35673081 BBAWIVIJAAUCCY-NRFANRHFSA-N 387.487 4.420 30 40 GIEB C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(C#N)cc1 40132937 HCXNHXUONJJAIC-HNNXBMFYSA-N 389.480 4.041 30 40 GIEB Cc1ccccc1Cn1nc(Cc2ccc(Br)cc2)c(C#N)c1N 225844337 YIIQGQGWMOARGI-UHFFFAOYSA-N 381.277 4.047 30 40 GIEB O=C(O)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 1183773 JMTJBFCFLDSNMF-UWVJOHFNSA-N 393.255 4.121 30 40 GIEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 5445043 RUPBUHZGVFQJQB-KGENOOAVSA-N 382.489 4.015 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)[nH]c2c1 5667633 SBOPRJPORMGMGN-UHFFFAOYSA-N 398.513 4.114 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2cccc(Cl)c2Cl)cc1 6016648 JLXIMGLICGVRFH-KRWDZBQOSA-N 379.195 4.295 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccs1 6317553 UTDRRQYMSZVJOE-UHFFFAOYSA-N 392.456 4.202 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccccc4OC)[C@H]3C[C@@H]12 12661623 LYFSZLNQEISTTA-BUIJDSLFSA-N 383.532 4.142 30 40 GIEB biogenic COC(=O)c1ccccc1/N=C\c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 16194286 CJRFWNSRQQJIDS-JJFYIABZSA-N 394.383 4.463 30 40 GIEB CN(C)c1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N 33324480 NUXKVIPBYZCWMV-UHFFFAOYSA-N 388.221 4.214 30 40 GIEB CCOc1ccc2nc(NCCNC(=O)c3ccccc3Cl)c(C#N)cc2c1 35311790 PWGANXKECXMCRS-UHFFFAOYSA-N 394.862 4.000 30 40 GIEB C=C(C)CSc1nnc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 104199240 BEYGDVCHUMESAC-ZOBORPQBSA-N 383.608 4.239 30 40 GIEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 226344152 UVCVLJRJOXXLCA-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409049545 WHTBBGPDANBKHC-XDHOZWIPSA-N 397.427 4.083 30 40 GIEB CC(=O)N(C)c1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 674802 CUZFTHZSFRXCJH-UHFFFAOYSA-N 399.450 4.203 30 40 GIEB O=C1C2=C(Nc3[nH]nc(O)c3[C@H]2c2ccccc2C(F)(F)F)c2ccccc21 12349285 ALRYIRZJOOGBGD-ZDUSSCGKSA-N 383.329 4.299 30 40 GIEB O=S(=O)(c1ccc(Cl)c(/N=C/c2ccc(F)c(F)c2)c1)N1CCCC1 4985297 ZPQYLUOEBYBECD-SRZZPIQSSA-N 384.835 4.153 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 224608909 ZLBMGOPSUQYSRD-UHFFFAOYSA-N 396.852 4.028 30 40 GIEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)Nc1ccc(Cl)cc1 225861268 BPNMYFMHLSBYJT-UHFFFAOYSA-N 399.281 4.478 30 40 GIEB Cc1ccc(OCCCN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1 46084950 YLPHNHXWIXWBRL-PGMHBOJBSA-N 379.243 4.296 30 40 GIEB CCCCO/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 3076233 ROIURROFJBXNOC-ZPHPHTNESA-N 396.306 4.401 30 40 GIEB CCN(CC)c1ccc(/N=C2/C(SC)=Nn3c2nnc3-c2ccccc2)cc1 16678497 SGLLQQWJOJQUSG-RELWKKBWSA-N 390.516 4.450 30 40 GIEB C=CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2n1C 7343313 BOQVSLJPOXYUMK-UDWIEESQSA-N 385.265 4.347 30 40 GIEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22457101 WLDZQMGFZFFYMS-ILWGZMRPSA-N 390.637 4.334 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1 4699889 PXOKNSOGUQVLAN-ZREAOVPFSA-N 381.501 4.284 30 40 GIEB C=CCOC(=O)C[C@@H](C(=O)OCC=C)P(=O)(OCCCC)OCCCC 5553074 NYGLFNJRABHOAE-INIZCTEOSA-N 390.413 4.030 30 40 GIEB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 6637456 KFQIOUIQYSSRGM-NRFANRHFSA-N 386.407 4.104 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1nc2ccccc2s1 10287408 RGIKJHOFWBOGLO-UHFFFAOYSA-N 376.441 4.132 30 40 GIEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC 10412379 NOWMPBONPUHTJD-FQEVSTJZSA-N 396.487 4.473 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12784626 ITLQPAWLLQVTEK-QKKBWIMNSA-N 394.500 4.425 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(O)c(C(=O)O)c2)cc1 15229938 FMRWUUMYBBXKBD-FMCGGJTJSA-N 391.379 4.118 30 40 GIEB COc1ccc(CN/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1OC 20195911 QYYXRWUCUFJKJN-YDZHTSKRSA-N 395.415 4.304 30 40 GIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 20842052 CPHVYHXQZHWDRC-UHFFFAOYSA-N 397.569 4.412 30 40 GIEB CC1(/N=C\c2cc(Cl)ccc2O)COP(=O)(Nc2ccccc2)OC1 102860612 KYHPHLIMSYBBBD-GRSHGNNSSA-N 380.768 4.490 30 40 GIEB COc1ccc(/C=C2/SC(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)=NC2=O)cc1 103350720 HFZAWWOBQBBLGO-YOVILJHGSA-N 383.517 4.457 30 40 GIEB COc1ccc(OC)c2c1[C@@H]1c3c(F)c(F)c(F)c(F)c3[C@@H]2C12OC2(C)C 101050743 GICRREZPKWDRHV-ZIAGYGMSSA-N 380.337 4.399 30 40 GIEB CC1(C)Cc2ccccc2C2=CC(C(F)F)=C/C(=C3\C=C([N+](=O)[O-])C=CC3=O)N21 3771099 LOGNZNSHWWJJBF-ZPHPHTNESA-N 396.393 4.423 30 40 GIEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cc(Cl)ccc1Cl 13574726 ANZYEVRVEBLSOA-HKWRFOASSA-N 392.202 4.092 30 40 GIEB CCO/C=N/c1c(C(=O)OCC)sc2nc(C)c3c(c12)CC(C)(C)OC3 5092129 OBCSEKYPDCILBD-KEBDBYFISA-N 376.478 4.329 30 40 GIEB C=CCn1c(S)nc2cc(C(=O)Nc3ccc(CCCC)cc3)ccc2c1=O 23042869 XIPOCZAQKLYZLD-UHFFFAOYSA-N 393.512 4.466 30 40 GIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c1 16810045 ITFYZJMUEBSMOM-BKUYFWCQSA-N 379.456 4.249 30 40 GIEB biogenic N#Cc1cc(Cl)ccc1CS(=O)(=O)NCc1ccc(Cl)cc1Cl 95465331 SKCAWXFLPPPJPV-UHFFFAOYSA-N 389.691 4.138 30 40 GIEB N#Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 9984997 KBCMTBCTSAIXGM-QHCPKHFHSA-N 388.492 4.393 30 40 GIEB Cc1c(/C=N/Nc2cc(N(C)C)nc(C(C)C)n2)c(Cl)nn1-c1ccccc1 5881575 SLSCIOJXFMRGCJ-WSDLNYQXSA-N 397.914 4.260 30 40 GIEB COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OCC#N 6306194 AUQJAFNMMHOOFS-QGOAFFKASA-N 390.439 4.240 30 40 GIEB Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 13551813 WIJHENCDNLUGRH-YCRPNKLZSA-N 388.423 4.352 30 40 GIEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)COC(C)(C)C3 2261908 BYFUHMJUIWDUAK-UHFFFAOYSA-N 393.512 4.219 30 40 GIEB CN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)C1(C#N)CCCCC1 7359838 NBACBTPKCRINGL-QGZVFWFLSA-N 382.533 4.118 30 40 GIEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1O 409283812 RZPUJIVKDSZSSG-UHFFFAOYSA-N 377.444 4.041 30 40 GIEB CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=S)NC(C)=O)cc2)c1O 6242466 MIOCVKATNCJOBW-KEBDBYFISA-N 391.880 4.028 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCCC)C(=O)O)C2=O)cc1 5372140 AKCMIKIAPLFUMW-JORMNFRLSA-N 391.514 4.096 30 40 GIEB CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N/c1ccccc1 101467595 JSMAZWLKQZBIDF-GKVQKNEHSA-N 398.484 4.041 30 40 GIEB C=CCOc1cccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 2092312 YJUGMMHQHODPRG-ATVHPVEESA-N 384.229 4.358 30 40 GIEB Cc1ccc(N/C(=N\OCc2ccc(Cl)cc2Cl)c2nonc2N)cc1 4712823 PGOSPMOTXSLUNS-UHFFFAOYSA-N 392.246 4.258 30 40 GIEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)cc1 6677837 NMNWZWOOKGSONK-GOSISDBHSA-N 398.532 4.447 30 40 GIEB COc1ccccc1CCC(=O)N1CCCS/C1=N\c1ccc(C(C)=O)cc1 7787303 SISMQWYLAQOZDO-FCQUAONHSA-N 396.512 4.484 30 40 GIEB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 13115892 XDNVIQLKTBRBGV-KRWDZBQOSA-N 380.451 4.447 30 40 GIEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 13692006 SBMYZINRTCEPPZ-JMIUGGIZSA-N 377.371 4.387 30 40 GIEB COc1ccc(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 27299141 RSVKIAZXAPWYNZ-VXLYETTFSA-N 384.417 4.182 30 40 GIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2cccc3cccnc23)c1 38162131 SOBXKPJODJGXKM-DJKKODMXSA-N 387.193 4.057 30 40 GIEB COc1cccc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)c1OC(F)F 40157940 TYIIYDYKYJBTHU-FMIVXFBMSA-N 399.397 4.390 30 40 GIEB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4ccccc43)c2C)cc1 57739546 XNAVAMIZNRLRNS-UHFFFAOYSA-N 395.462 4.472 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1 72391190 TZPZFVPQTDTRMI-RUZDIDTESA-N 389.543 4.086 30 40 GIEB Cc1cc(OCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)ccc1Cl 89587690 DTEZKJBIHSIQJL-UHFFFAOYSA-N 380.187 4.099 30 40 GIEB CC(C)[C@H](C)N1Cc2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 95397382 GXGVWCWQSUDXJM-GAJHUEQPSA-N 388.515 4.136 30 40 GIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102928345 YHKOKIYJCFFWPI-JBCNATCCSA-N 387.435 4.464 30 40 GIEB CCOC(=O)c1c(C)oc2c1/C(=C/NCc1ccccn1)C(=O)c1ccccc1-2 100461323 QMRJGACFGXTXSO-AQTBWJFISA-N 388.423 4.154 30 40 GIEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 1510756 ZGHXISUFJDKLHR-PXLXIMEGSA-N 377.400 4.442 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20493550 QBVHMTUZCJRNKD-GOSISDBHSA-N 391.515 4.087 30 40 GIEB CC(C)Oc1cccc(-c2nnc(S)n2/N=C/c2c[nH]c3ccccc23)c1 5463471 HIFMXYBSRIDQRB-WSDLNYQXSA-N 377.473 4.385 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)cc1Cl 6583161 ORKCAXBXGIXJMH-UHFFFAOYSA-N 395.267 4.139 30 40 GIEB CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O 9047694 HYNFRQWDKZHQIV-NDENLUEZSA-N 396.439 4.422 30 40 GIEB CC[C@H](C)c1ccc(OCC(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 4699778 WFOFAASDPXFQOP-LBPRGKRZSA-N 386.473 4.246 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/OCc2ccccc2C#N)o1 408590282 HEGRGVRERHHUIF-WSDLNYQXSA-N 377.356 4.286 30 40 GIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1 409283897 SJDSKJBOMHRGMD-UHFFFAOYSA-N 388.240 4.304 30 40 GIEB COc1ccc(C(=O)O/N=C/c2c(-c3ccccc3)nc3sccn23)cc1 8311020 QXCHHVXOEKRYPN-FYJGNVAPSA-N 377.425 4.262 30 40 GIEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 409212779 RDTYSHHJSGTBGT-QRVIBDJDSA-N 375.428 4.246 30 40 GIEB C=CCO[C@@H]1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)c2cc(C)ccc21 585105650 VQTZVKCWBJBYRY-HXUWFJFHSA-N 380.463 4.351 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)c(Br)o2)cc1 16427927 RCCUTYSIMPHZDZ-NSIKDUERSA-N 389.003 4.159 30 40 GIEB CCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(OC)c(OC)c3)cs2)cc1 4070894 IMWBPHXWDKAGEO-CIAFOILYSA-N 383.473 4.094 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 100263736 FULNHLGSXPDGAA-JOJWKMGHSA-N 391.855 4.069 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=N/N=C/c1ccccc1 100874392 KAMZLFBKJXAXFK-HRGDMGKESA-N 383.904 4.403 30 40 GIEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc(Cl)cc1Cl 101388203 DHJFEMYPTHRWBS-HMMYKYKNSA-N 392.202 4.092 30 40 GIEB C=CCn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1 20726903 YMYFQTZYUSICDA-SFHVURJKSA-N 376.485 4.177 30 40 GIEB CCOc1ccc(/C=N/O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 21701432 IYUWBBGDDKWFCE-VWBBVOOFSA-N 394.515 4.306 30 40 GIEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cc(Cl)ccc1Cl 1045448 IOFPLQLHOQFQAK-CQSZACIVSA-N 394.283 4.241 30 40 GIEB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)cc1 4880734 GEOFPCNFWRTZNM-UHFFFAOYSA-N 379.441 4.414 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1 4919691 QNPUHMAHUKIAGP-AVRDEDQJSA-N 380.440 4.023 30 40 GIEB Clc1ccc(N2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 5009042 DQCCJLGWZSIJEZ-MOSHPQCFSA-N 378.701 4.259 30 40 GIEB FC(F)Oc1ccc(/C=N/Nc2nncc3ccccc23)c(OC(F)F)c1 5870338 UPKQUARDZDFUBK-NUGSKGIGSA-N 380.301 4.279 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6785513 ONFHBDCYPCBUHB-VQIMIIECSA-N 397.496 4.068 30 40 GIEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CC[C@H](C)C3 7016046 DJPPITFNRQTGHV-LBPRGKRZSA-N 399.541 4.072 30 40 GIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccc(Cl)c(Cl)c1 13776809 GHIWUMLLKJRAHX-UHFFFAOYSA-O 387.290 4.334 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 15013230 INBFTCKHTCGIDN-XSFVSMFZSA-N 393.464 4.334 30 40 GIEB COc1cc(C)c2occ(/C(C)=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 16738400 IUMFACFKZPRAQZ-ODLFYWEKSA-N 384.348 4.402 30 40 GIEB CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NC[C@H]3CCCO3)c2CO1 20590399 ZIQQKKUPPBUXJO-MRXNPFEDSA-N 378.476 4.139 30 40 GIEB CCCCCCCCCCCC(=O)[C@H]1C(=O)CC[C@](Cl)(C(=O)OC)C1=O 100705357 RWCAQFKEUFLKTP-FXAWDEMLSA-N 386.916 4.175 30 40 GIEB CCOC(=O)c1c(CC(C)C)csc1NC=C1C(=O)CC(C)(C)CC1=O 101011779 XLXXHMWJNQUTPH-UHFFFAOYSA-N 377.506 4.377 30 40 GIEB Cc1onc(CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C#N 500159386 UCYZFVJKUBGUPV-HXUWFJFHSA-N 383.810 4.096 30 40 GIEB N#Cc1cnc(SCC(=O)c2cccc(C(F)(F)F)c2)nc1C(F)(F)F 1401435 RXXDCHRQIAVWLN-UHFFFAOYSA-N 391.296 4.361 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 4061028 MQXLSSHNODEDQZ-UNMCSNQZSA-N 381.447 4.211 30 40 GIEB CCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1 4676543 ZJVZOWJCTSHLEV-GOSISDBHSA-N 397.500 4.113 30 40 GIEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 4677046 XNJADVUJNIJGCG-AQTBWJFISA-N 389.436 4.067 30 40 GIEB Cc1cc(N/N=C/c2ccc(O)cc2)nc(-c2ccc(Br)cc2)n1 4713100 QPDFRDIUAZLYBE-RGVLZGJSSA-N 383.249 4.366 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccco1 6478140 CDDVKXXLWYCBNG-UHFFFAOYSA-N 388.880 4.417 30 40 GIEB C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 12062596 NXHKQVQWPOYGCF-HSZRJFAPSA-N 394.515 4.217 30 40 GIEB CCCN1C/C(=C/c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 13590312 KDXKAKJLQVZWKN-TVGQLCNQSA-N 377.484 4.466 30 40 GIEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 16125488 KWHZNOPFOIDNIN-DLBZAZTESA-N 388.307 4.366 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1F)c1ccccc1 18154969 KGGUPAWLZYQVTH-FQEVSTJZSA-N 389.382 4.314 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960012 UDZAZDDPMGKNSZ-CWTRNNRKSA-N 380.835 4.249 30 40 GIEB CC[C@]1(C)NC(=O)N(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 20934932 VHROTXIJIIMHNJ-WZIKDTQPSA-N 380.231 4.308 30 40 GIEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1cccc(C)c1 36774023 RJHAYHMKJPOOOL-UHFFFAOYSA-N 376.909 4.045 30 40 GIEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 224723411 LGAWAOGZIJVEAQ-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NC[C@H]1CCCO1 2198877 LFUOPNUUPCRRTL-LJQANCHMSA-N 375.428 4.383 30 40 GIEB CC(NNc1ncc(C(F)(F)F)cc1Cl)=C1C(=O)c2ccccc2C1=O 2571145 ACOIAYAKVVVCIU-UHFFFAOYSA-N 381.741 4.024 30 40 GIEB C[C@@H]1CSC(N(C(=O)COc2ccccc2C#N)c2ccc(Cl)cc2)=N1 3405504 ZRNMIJCUNFHJQT-CYBMUJFWSA-N 385.876 4.115 30 40 GIEB COc1ccc(C(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1OC 4125254 MUKPYQIBGAOHPZ-UHFFFAOYSA-N 378.453 4.407 30 40 GIEB C=CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5210269 FUCJNQUQICSXQD-CQSZACIVSA-N 381.863 4.405 30 40 GIEB C=CCNc1nnc(SCc2c(C(=O)OCC)oc3ccccc23)s1 5783467 AQFMZFNLTFABCQ-UHFFFAOYSA-N 375.475 4.351 30 40 GIEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)cc(OC)c1OC 6472514 NTURCPZQKDLJNF-WOJGMQOQSA-N 398.484 4.221 30 40 GIEB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCCC2 6545629 XQHOIOIPNDHWMN-UHFFFAOYSA-N 377.469 4.213 30 40 GIEB N#CCc1ccccc1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 8394362 RAIMABAKHBVWCF-UHFFFAOYSA-N 398.462 4.138 30 40 GIEB CCCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C 8434864 ZPYDXLSKIUPCMR-JLHYYAGUSA-N 398.960 4.019 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(C)cc2)cc1 16741319 NFGYKZRFMHUYIX-OAQYLSRUSA-N 389.451 4.324 30 40 GIEB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(CCC#N)Cc1cccnc1 39979680 FSHMVZWRPALVIG-UHFFFAOYSA-N 385.533 4.101 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1cccs1)C3=O)CN(Cc1ccccn1)CO2 57165885 RRCRDIGLLQWRPE-VXLYETTFSA-N 390.464 4.420 30 40 GIEB COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 66088109 LYGUSYULYRCYJI-NRFANRHFSA-N 385.419 4.478 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl)c1ccco1 96336092 WALVKQZEACCWAD-CQSZACIVSA-N 386.816 4.172 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccccc2)sc1C 102798576 NLYNVHPPWJGRSQ-UYTDBDHRSA-N 396.493 4.448 30 40 GIEB CCOC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242722941 XYYYKHYBICHIBT-XUVXKRRUSA-N 389.904 4.135 30 40 GIEB COc1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(C)cc1C 529095382 OXRUISGCHGZCTF-UHFFFAOYSA-N 379.460 4.011 30 40 GIEB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccccc1C#N 3386283 JNIIDMQBOHAGFW-LBPRGKRZSA-N 397.891 4.126 30 40 GIEB Oc1ccccc1/C=N/Nc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 4311617 JMWJUEZRVSYARP-ZVHZXABRSA-N 394.438 4.179 30 40 GIEB COC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5164008 BERNNWFDKNQYAO-PXNMLYILSA-N 379.195 4.161 30 40 GIEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2Nc2ccccc2)cc1 6862223 PKTCLCYDERTIMV-UHFFFAOYSA-N 384.464 4.436 30 40 GIEB CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6908059 WUZYHCIBWFMTGI-FQEVSTJZSA-N 388.423 4.328 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)C[C@H](C(=O)O)c3ccc(F)cc3)c2C#N)C1 12727991 FGOGGVGAZLLZQN-NHYWBVRUSA-N 386.448 4.081 30 40 GIEB C#CCOc1cccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)c1 13992735 AVRGXJPRODUSFV-UHFFFAOYSA-N 391.559 4.405 30 40 GIEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCC[C@@H](C)C2)C1=O 16810038 UTLQYUVEBNXDPN-OFNOZLENSA-N 379.456 4.249 30 40 GIEB biogenic C=CCn1c(SCc2nc(CC(C)C)no2)nc2ccc(Cl)cc2c1=O 25059638 YZGRBMMSEQFCNP-UHFFFAOYSA-N 390.896 4.110 30 40 GIEB N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3cccs3)cc2)cc1C#N 35140516 VFDKKAIXYDQCBZ-UHFFFAOYSA-N 388.404 4.323 30 40 GIEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2CC)cc1 100259579 OARSSHIABCUFFX-GWSFVKJMSA-N 398.484 4.423 30 40 GIEB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1 2411062 TVOCEAHGIMBQMI-UHFFFAOYSA-N 375.302 4.390 30 40 GIEB biogenic C#CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 3771137 NILDYEGXFWKJFY-UHFFFAOYSA-N 382.843 4.480 30 40 GIEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(C(F)(F)F)cc2)cc1 4680227 FNMHCCPWPLEDCO-FBHDLOMBSA-N 378.379 4.143 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OCC 4918353 BTCABBSOCQRFLF-OFNKIYASSA-N 394.467 4.413 30 40 GIEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cc1 5443078 ZAZAASIRZAEPPA-KRWDZBQOSA-N 384.505 4.057 30 40 GIEB CCCCN1C(=O)/C(=N/NC(=S)Nc2cccc(C)c2C)c2ccccc21 5869758 GMAJRBDIKMUGDS-FCDQGJHFSA-N 380.517 4.141 30 40 GIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 5878334 XOKNORRLBNQFIS-ZDUSSCGKSA-N 376.547 4.184 30 40 GIEB CCCCn1c(=O)c2ccccc2n2c(SCc3ccccc3C#N)nnc12 7015265 FRJFCRHTNYNHDZ-UHFFFAOYSA-N 389.484 4.008 30 40 GIEB CCOc1cc(C#N)cc(Cl)c1OCC(=O)N[C@H]1CCCc2ccccc21 8315456 HNDHMMOFMBLEIT-SFHVURJKSA-N 384.863 4.183 30 40 GIEB N#Cc1ccccc1OCCCCN1CCN(c2nsc3ccccc23)CC1 13734307 BDMZDDPAFOSIOC-UHFFFAOYSA-N 392.528 4.149 30 40 GIEB C=CCOc1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 13956994 IMWVULRLJYIQFW-UHFFFAOYSA-N 377.473 4.151 30 40 GIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1OC 14396444 RETKURUEAWOECP-UHFFFAOYSA-N 378.472 4.302 30 40 GIEB COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 18197175 PUMZSZFDXLNUKR-NRFANRHFSA-N 395.455 4.286 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@@H]12 59410461 RKKGCRDYLZFHLX-LEKAPFLCSA-N 394.559 4.123 30 40 GIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1 97105066 GDGQGZVPLMINLE-UGKGYDQZSA-N 380.440 4.023 30 40 GIEB Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O 100261257 DOQOWLRBMSJMPF-BSBNDGSWSA-N 387.892 4.239 30 40 GIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)o1 100447932 WIGCLGUACDFYSF-QFIPXVFZSA-N 392.455 4.203 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)[C@@](C#N)(CC=C)[C@H]1c1ccccc1Cl 100969379 SNVDSJZFACZEPJ-FXAWDEMLSA-N 386.904 4.443 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cccc(C)n2)cc1 102491049 OGAAYIRCBDPCBN-LFVOPCPISA-N 390.464 4.386 30 40 GIEB COc1cccc(-c2csc(C3=C(N)N(CC4CCCCC4)[C@@H](C)C3=O)n2)c1 103382301 QGLGQGIDCBLACB-AWEZNQCLSA-N 397.544 4.300 30 40 GIEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc(F)cc1 224924323 SJVJSFVUWAIDIQ-UHFFFAOYSA-N 397.855 4.037 30 40 GIEB N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccccc1-n1cccn1 538691201 XVFNBKNJJPLBOH-UHFFFAOYSA-N 394.434 4.466 30 40 GIEB Cc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)o1 604403912 DHCCFYWAVMVASF-KLSKMWHSSA-N 388.375 4.351 30 40 GIEB biogenic CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C#N 1503997219 VWUQNISAUSLUFH-UHFFFAOYSA-N 376.048 4.430 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2487246 DYGWHQFLEPNVJX-GDBMZVCRSA-N 390.892 4.108 30 40 GIEB CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(C)cccc2s1 4359460 IXWBBVNGPRFANJ-UHFFFAOYSA-N 392.528 4.465 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1OC 5477676 NDSHBBKKLRTDQY-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C1CCCCC1 6628334 GREYLJFXMDBXGN-UHFFFAOYSA-N 386.521 4.251 30 40 GIEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9136313 OSOMOIHISYVVNE-UHFFFAOYSA-N 381.435 4.290 30 40 GIEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(Cl)cc2)n1 13579579 LDFLSILEARAAIB-UHFFFAOYSA-N 388.876 4.132 30 40 GIEB CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccc(C)cc2)n1 19820677 GCQWVLIIMNMWGY-UHFFFAOYSA-N 390.468 4.386 30 40 GIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2ccccc2C1 35400084 CXHNELIFHSHXKI-OAHLLOKOSA-N 379.529 4.274 30 40 GIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(O)cc1 35644260 AFWIEXSOUUHNHT-NTEUORMPSA-N 375.247 4.046 30 40 GIEB C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 65513838 ZKPXVHYASDNEGH-IRXDYDNUSA-N 385.504 4.154 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc(OC)c1OC 83921324 INIXDEZQJFJJMJ-LEWJYISDSA-N 395.499 4.161 30 40 GIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)c1 102802284 FJAFAAFSKGJMEX-MRJHHRETSA-N 385.419 4.322 30 40 GIEB CCCCCCCCCC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 105961708 OVWOYCLCRNLBGT-TUFLPTIASA-N 375.577 4.011 30 40 GIEB COC(OC)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 118923365 GHVWVOCLUYXNRO-AEZRXPCCSA-N 390.520 4.049 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224722576 YOEODCFBDHNJTI-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1C 2198183 KKYBJHAFXZDENI-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 4285960 ZIGJJOGUBTZOMJ-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1OC 4736519 ANPNSZZYSRDVBW-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB N/C(Cc1cccs1)=N\OC(=O)CCCOc1ccc(Cl)cc1Cl 4889311 NBYCBXNYDJTROC-UHFFFAOYSA-N 387.288 4.272 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C#N)c1C 5145213 GMKAMQRQBDYEDO-UHFFFAOYSA-N 382.363 4.376 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(OC)c(Br)c2)c(OC)c1 7717709 POFMMEJDOXHAHG-VMPITWQZSA-N 377.234 4.371 30 40 GIEB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1C#N 12605576 IWEMDEQDZARTMG-UHFFFAOYSA-N 384.379 4.167 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)cc1 16740614 HHCMNMSLZNWTCC-RANIVTSPSA-N 379.456 4.249 30 40 GIEB biogenic CCOc1cc(/C=N/n2c(S)nnc2-c2cccs2)ccc1OC(F)F 36611424 QLKGCNHEBBATTM-DJKKODMXSA-N 396.444 4.178 30 40 GIEB N#Cc1cnn(-c2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2)c1N 84414482 YWFCTZQODUBQMG-UHFFFAOYSA-N 391.500 4.299 30 40 GIEB CCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 100501894 OHABNZYBAWAVSW-DTQAZKPQSA-N 392.546 4.288 30 40 GIEB CC1(C)[C@@]2(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC[C@@]1(C)C(=O)C2=O 100868489 LYYBYAIJZIINMI-ZEQRLZLVSA-N 387.435 4.095 30 40 GIEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OCC)c21 100909647 OTRXMGGBAUWSPN-DQRAZIAOSA-N 380.469 4.231 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 102930958 PSSNVUJEAOKSPK-WOOAAIBNSA-N 399.512 4.330 30 40 GIEB N#Cc1ccc(Oc2cccc(NCC(=O)NCCc3cccs3)c2)cc1 105396503 HZSSNMONUJPNFI-UHFFFAOYSA-N 377.469 4.183 30 40 GIEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1Cl 409099188 SKFVMCPARLUGJJ-AWQFTUOYSA-N 386.751 4.047 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1 409313023 AQUGGMSPJBMMKW-UHFFFAOYSA-N 388.240 4.133 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409334193 VXDQWPGHNJSUFJ-LDADJPATSA-N 399.468 4.252 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OC 803491 XDCIFGCDWJFPSP-NSHDSACASA-N 386.473 4.023 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccco1 2127262 OTWDNRZHEXJIPQ-NHDPSOOVSA-N 386.359 4.434 30 40 GIEB biogenic CCCCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21 2319524 KRNGVRGQILDWLU-UHFFFAOYSA-N 394.475 4.110 30 40 GIEB N#CCc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 5281653 AKJXMQFJBRMZDQ-UHFFFAOYSA-N 379.641 4.186 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 6317053 YERSBGYBPCGJBR-VGOFMYFVSA-N 393.464 4.398 30 40 GIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 32900388 XVZKJMSVCWPRPV-UHFFFAOYSA-N 382.179 4.249 30 40 GIEB O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(N2CCCCCC2)cc1 58265659 OSWAIQDMIGGFEO-MDZDMXLPSA-N 397.544 4.256 30 40 GIEB CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 101017863 SDGIHZCLZRTRKM-UHCDTHPYSA-N 377.425 4.100 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 1354709 NVUUGYOKMMIQSO-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2ccc(Br)cc2)cc1 4576841 UTACBOZFSYDQBU-UHFFFAOYSA-N 375.266 4.224 30 40 GIEB Cc1c(/C=N/c2cc(Cl)ccc2O)c(O)n2c(nc3ccccc32)c1C#N 5445822 XUWKQKHYOBZSEJ-AUEPDCJTSA-N 376.803 4.483 30 40 GIEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)c(Cl)c1 6078626 KFJDJLQYMIQKQD-ZVBGSRNCSA-N 398.315 4.138 30 40 GIEB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1C#N 7783524 HHRIOHNTAPOARQ-LLVKDONJSA-N 383.864 4.116 30 40 GIEB C[C@H]1CN(c2ncc(/C=N/Nc3ccc(C(F)(F)F)cc3)s2)C[C@@H](C)O1 12338497 HYYWNEZYJFHABR-YHVDDPHISA-N 384.427 4.222 30 40 GIEB O=C(C[n+]1c(-c2ccc(Cl)cc2)cn2ccccc21)c1ccc([N+](=O)[O-])cc1 17124580 NJBMPHYUXANHTJ-UHFFFAOYSA-N 392.822 4.338 30 40 GIEB N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)c(F)c1 69951945 ZHYZUJBBSYNXCD-JOCHJYFZSA-N 383.511 4.091 30 40 GIEB N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1 90607650 HTXDDKLXFKPMFN-UHFFFAOYSA-N 390.365 4.047 30 40 GIEB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(F)cc(C#N)cc1F 95410110 GSIBVRDBAHDJSQ-SNVBAGLBSA-N 384.304 4.053 30 40 GIEB C#CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cccc(Cl)c21 100910456 ICJWKBUQDAFWFL-UZYVYHOESA-N 383.885 4.340 30 40 GIEB CC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 118936645 IOWFRTLFVZLMAW-WDEONKEUSA-N 384.516 4.384 30 40 GIEB O=C(Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21)NC1CCCC1 409143113 NBQQJIYYWLFCRK-UHFFFAOYSA-N 398.462 4.163 30 40 GIEB C=CCO[C@H]1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)c2cc(C)ccc21 585105649 VQTZVKCWBJBYRY-FQEVSTJZSA-N 380.463 4.351 30 40 GIEB C=CCn1c(=O)c2ccccc2n2c(SCc3cc(C)ccc3C)nnc12 3365271 GWYSLJIIWRDLNO-UHFFFAOYSA-N 376.485 4.139 30 40 GIEB Cc1nc2ccccc2n1CCc1nn(CCC#N)c(=S)n1-c1ccccc1 3851080 HDCRQEZNLBJMKU-UHFFFAOYSA-N 388.500 4.218 30 40 GIEB biogenic COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 17918307 CZCKFUYEVSYMMU-IBGZPJMESA-N 399.874 4.263 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 19536398 SHMAOZLVWYHCFU-KRWDZBQOSA-N 379.378 4.236 30 40 GIEB N#Cc1ccc(CN2CCN(C(=O)c3cc4c(ccc5ccccc54)[nH]3)CC2)cc1 40058165 IFZNVNCHIZBGDD-UHFFFAOYSA-N 394.478 4.151 30 40 GIEB CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102728189 SZWSCHASVIKEHC-XLAORIBOSA-N 394.519 4.309 30 40 GIEB Oc1c2c3c(noc3c3ccccc13)C(N1CCOCC1)=C/C2=N\c1ccccc1 1252099 CUQPRRVKJNZBEO-XIEYBQDHSA-N 397.434 4.494 30 40 GIEB COc1ccc(CCNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 2405327 JZOAYIMHSHUSQW-UHFFFAOYSA-N 383.835 4.442 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@H]12 12660727 RNTVEMBMXUXGLJ-MUVSAAHNSA-N 397.559 4.355 30 40 GIEB biogenic COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 20158989 NWMVMDIQZUJLCU-ZDUSSCGKSA-N 384.501 4.333 30 40 GIEB C[C@H]1CCCCN1Cc1ccc(CNC(=O)CCc2ccc(C#N)cc2)cc1 32930271 SYMUXYRMFLOATO-IBGZPJMESA-N 375.516 4.182 30 40 GIEB C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc2c(s1)CCCC2 39980509 AVHTZZPOAZKHLC-UHFFFAOYSA-N 378.501 4.415 30 40 GIEB O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@@H](N2CCCC2)C1 58309909 LGHCRLWZLVEHDP-HXUWFJFHSA-N 379.529 4.240 30 40 GIEB Cc1cc(N2CCCC2)ccc1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 408959624 CEKYJWKAHRWDAE-KQWNVCNZSA-N 393.512 4.061 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 409141188 IYXYRFISRBVWTQ-GZTJUZNOSA-N 398.846 4.006 30 40 GIEB COC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2ccco2)C1=O 4688366 SWZGYBXGHAANPR-LCYFTJDESA-N 395.358 4.452 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(N(C)C)cc1 4821530 CHJLTHKXQTVZKQ-GGAORHGYSA-N 393.483 4.081 30 40 GIEB C=CCn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c2ccccc21 4933330 YWXFVZORWCZERF-GZTJUZNOSA-N 398.484 4.205 30 40 GIEB COCCSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1C#N 8843604 KSCKWPFSDFSDFS-UHFFFAOYSA-N 398.406 4.395 30 40 GIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 12323432 QJBGDNJKUXOVFT-KPZWWZAWSA-N 394.456 4.119 30 40 GIEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 18199889 ANPMYMRRPFXHEC-JOCHJYFZSA-N 399.450 4.474 30 40 GIEB CCc1cccc(CC)c1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 18276040 HIUMBNMYJMTXGV-KRWDZBQOSA-N 381.501 4.059 30 40 GIEB N#Cc1cccc(COc2c(Br)cc(C=O)cc2Br)c1 20156225 JKMBSJCZFYTHMI-UHFFFAOYSA-N 395.050 4.475 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CNc3ccc(F)c(F)c3F)c2C#N)C1 22907420 JYQUYIGKMUQLCC-VIFPVBQESA-N 379.407 4.212 30 40 GIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(O)=NC1=S 33561655 OJOWTKCUVJNKOQ-GZTJUZNOSA-N 399.903 4.401 30 40 GIEB N#Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccco1 36354912 CMHNZHNKFWJGEH-UHFFFAOYSA-N 379.466 4.263 30 40 GIEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 44973540 DEXMIKIWBCNQQK-OAHLLOKOSA-N 395.532 4.157 30 40 GIEB CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCC 72399518 CRVGCEIWUOFGLZ-VWPQPMDRSA-N 387.605 4.077 30 40 GIEB in-vitro COc1ccc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)cc1OC 83315477 RWUKEKMZJRNJSK-ODLFYWEKSA-N 382.485 4.081 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(F)cc2)n1 102494506 OIKKRNXCJCJJHI-GHNGSUTGSA-N 394.427 4.217 30 40 GIEB CC(=O)[C@@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 169620126 KNONFVJMISTVFL-HBMCJLEFSA-N 375.378 4.081 30 40 GIEB O=C(O)c1ccc(Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)o1 408541689 HGYKKVRSINJWQA-UHFFFAOYSA-N 397.386 4.443 30 40 GIEB Cc1sc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c(C#N)c1C 408628885 XOOGAICLSMXNNZ-UHFFFAOYSA-N 387.530 4.398 30 40 GIEB N#C[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 527827901 GSPXOEPOXJVDIU-BZSNNMDCSA-N 387.252 4.463 30 40 GIEB CCCCNC(=S)N(C)/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3326142 JQDVWCMLBGRXAS-LFVJCYFKSA-N 391.544 4.480 30 40 GIEB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 6937830 DVJFAVINJYIPTI-PXNMLYILSA-N 383.498 4.230 30 40 GIEB C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(C)=O)C/C(C)=C\CC/C(C)=C/CC[C@@]2(C)O 17299735 WMGWWFHPPNGBBT-JMRUETMRSA-N 376.493 4.014 30 40 GIEB N#Cc1cc2c(N)c(C(=O)N(c3ccccc3)c3ccccc3)sc2nc1N 18191077 ZEVIIZJEKNDGQQ-UHFFFAOYSA-N 385.452 4.311 30 40 GIEB N#Cc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc(C(F)(F)F)nn32)cc1 102247125 DQSADJQFQKEFKN-INIZCTEOSA-N 385.324 4.364 30 40 GIEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351211 JDBPWCPMDGNPJM-RUZDIDTESA-N 398.506 4.301 30 40 GIEB COc1ccc(O/C(C(=O)O)=C(/Cl)C=NNc2ccc(Cl)cc2)cc1 255004353 ZQWNBRWRPDCOPU-ZSHIHBTLSA-N 381.215 4.360 30 40 GIEB O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1c(O)ccc2ccccc12 726821 JJZROHYNNNNKRM-ZVHZXABRSA-N 381.391 4.398 30 40 GIEB CC(=O)C1=CN(Cc2ccccc2)C=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1 2255741 VSZXEFAHUYFGBV-UHFFFAOYSA-N 376.412 4.140 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 5072587 VMZPBDAZUVNDHX-OAHLLOKOSA-N 389.846 4.211 30 40 GIEB N#Cc1ccc(COC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 8273219 SVBDRNDQWPZFEW-UHFFFAOYSA-N 385.832 4.097 30 40 GIEB C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(C)=O)C/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O 8674062 WMGWWFHPPNGBBT-RIWDRJBFSA-N 376.493 4.014 30 40 GIEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 9014017 QVPYTQGIXUFFMQ-VBKZILBWSA-N 376.847 4.347 30 40 GIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1cccs1)C2 12391564 MSIMCMOGZNEWQP-ZMZPIMSZSA-N 394.456 4.119 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 13939678 WAJGSSZJCWDMNT-MOSHPQCFSA-N 393.464 4.252 30 40 GIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 20568850 OLKSSWLBAFUKAA-QFIPXVFZSA-N 389.451 4.104 30 40 GIEB Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/CCc2ccccc2)cc1 26965131 KLIIFZATWMMIGG-KOEQRZSOSA-N 382.467 4.408 30 40 GIEB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1 32930754 DNUPAPNIWASWIB-LJQANCHMSA-N 375.516 4.182 30 40 GIEB C#CCOc1ccc(CCNC(=O)c2ccc(C3SCCS3)cc2)cc1 58014130 RRJSHNWZGVQMCA-UHFFFAOYSA-N 383.538 4.150 30 40 GIEB C[C@@H](O/N=C(/N)c1ccsc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 72305376 GQCYMMHLXKUXRY-SECBINFHSA-N 382.367 4.215 30 40 GIEB N#Cc1cccc(NC(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)c1 72306260 NQVMJJJOXANDIH-UHFFFAOYSA-N 375.350 4.163 30 40 GIEB CCCCn1c(=O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c2ccccc21 100176021 RMAQIPJRWXSKKO-NTCAYCPXSA-N 390.483 4.469 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 524729322 OGFJXRVPMQRGDU-CQSZACIVSA-N 380.396 4.319 30 40 GIEB biogenic CC(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 2737704 PSTBQQUTSIVUCU-UHFFFAOYSA-N 381.194 4.296 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1 3563054 AQWPRTKSCMISES-INIZCTEOSA-N 378.501 4.101 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4952063 IJPWHHSNVWXTKV-YGHXBTADSA-N 381.501 4.329 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2cccc(F)c2)cc1 5409014 WCTYGENCLCWVFC-FQEVSTJZSA-N 388.398 4.312 30 40 GIEB C/N=c1\scc(-c2ccccc2F)n1/N=C(\C)c1ccc(-n2ccnc2)cc1 5659953 XKNPAFJMRNNAAY-BSLQNJCLSA-N 391.475 4.344 30 40 GIEB Cc1sc(NC(=O)CCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 5921702 DLNBQDIBLOGJMY-UHFFFAOYSA-N 386.502 4.144 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980766 QODGUGBUGMJHMQ-UHFFFAOYSA-N 382.725 4.026 30 40 GIEB CC(C)(C)[C@@H]1CCc2nc(SCC(N)=O)c(C#N)c(-c3cccs3)c2C1 6305133 JGKGKHMKAMPMKD-GFCCVEGCSA-N 385.558 4.410 30 40 GIEB CCN(CC)S(=O)(=O)c1ccc(/C(C)=N/OCc2cc(C)ccc2C)cc1 6654409 BXUADYZGCFOWMH-RELWKKBWSA-N 388.533 4.275 30 40 GIEB CSc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 20028903 GNTMAWCWFYNVOC-NRFANRHFSA-N 396.556 4.389 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(C)(=O)=O)[C@@H]2c1ccccc1 21722780 UAGWPAXCMOLXFQ-OAQYLSRUSA-N 396.512 4.263 30 40 GIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 51318858 JJFVMPHPKFDOKA-VAWYXSNFSA-N 393.224 4.498 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C)cc1 101650761 GXUNUVIHUJIANH-CWJYSFMFSA-N 395.528 4.456 30 40 GIEB C=CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408588566 BVWWVKSQWMDEAE-YBFXNURJSA-N 391.221 4.473 30 40 GIEB Cc1cc(C)c2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)cc2c1 1354233 ZFTPEEDLZGVJBW-UHFFFAOYSA-N 390.464 4.470 30 40 GIEB CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1432874 SLTFKUGIBYNLBL-MJGOQNOKSA-N 378.447 4.019 30 40 GIEB Cc1cc(C)c([C@@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)c(C)c1 3764811 FSTLQOZBIPADHC-AREMUKBSSA-N 380.487 4.480 30 40 GIEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4135154 ANBSJJZDGGEZMS-LFVJCYFKSA-N 394.456 4.176 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 4905512 OEBCHRRLHPZMGX-MRXNPFEDSA-N 391.514 4.203 30 40 GIEB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 8192213 MZAPBWRZBGHBIL-ZDUSSCGKSA-N 395.513 4.141 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3F)ccc21 8958725 KRUSFSPJQLOYPM-UHFFFAOYSA-N 386.398 4.155 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2nnn[nH]2)c1 9453827 UFHWOTPMJFKXRM-UHFFFAOYSA-N 398.451 4.142 30 40 GIEB C=CCc1ccccc1OCc1ccc(C(=O)N(C)Cc2ccnn2CC)o1 28237813 MTEZCMDNLWTCGB-UHFFFAOYSA-N 379.460 4.076 30 40 GIEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 96234451 CDSIINARDMCEHA-UHFFFAOYSA-N 377.444 4.272 30 40 GIEB CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102728196 SZWSCHASVIKEHC-OWSLCNJRSA-N 394.519 4.309 30 40 GIEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 210584662 BTPMDNRSUAAMCO-OUYOUGTCSA-N 382.441 4.017 30 40 GIEB O=C1/C(=N\Nc2ccc(Cl)cc2Cl)c2cccc(F)c2N1C1CSC1 223756336 ARMSYZIQSIKCFJ-JCMHNJIXSA-N 396.274 4.411 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772563 OWBKMQQSJDJRCK-UHFFFAOYSA-N 378.472 4.342 30 40 GIEB COc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 225862539 SNQKABNCNMTLND-UHFFFAOYSA-N 381.863 4.274 30 40 GIEB S=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccccc1 3188487 XUQKHWFEJJDBHP-BUVRLJJBSA-N 398.495 4.255 30 40 GIEB Cc1ccccc1C[C@H]1S/C(=N/c2ccc(Br)cc2)NC1=O 5813326 WCRQXHHNADAHMP-OAHLLOKOSA-N 375.291 4.219 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(Cl)cc1C 6759826 HCBMBAGGIRLDPO-UHFFFAOYSA-N 397.862 4.292 30 40 GIEB C=CCN(CC=C)C(=O)c1ccc(COc2ccccc2Br)o1 28228107 NCXJXUXFJMTKNI-UHFFFAOYSA-N 376.250 4.435 30 40 GIEB Cc1cc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2cc1C 34791486 MRICXGRXUVYGAY-UHFFFAOYSA-N 375.497 4.174 30 40 GIEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NC1CCCC1)C2 49171844 KJJCLABAUICZLD-SFTDATJTSA-N 379.548 4.488 30 40 GIEB biogenic,in-vitro CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225773939 NKTMRLLDHRUWDV-UHFFFAOYSA-N 378.472 4.342 30 40 GIEB CCOc1ccc(Br)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408594040 RQQCHJUDMAAWPX-VCHYOVAHSA-N 379.210 4.307 30 40 GIEB C/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1C 408930598 ZGWXGOVYMHDBLB-XUVFPMAOSA-N 377.809 4.040 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)S2)cc1 408966762 QHOLAMMZWSWHRL-CPNJWEJPSA-N 391.452 4.083 30 40 GIEB COc1cccc(/C=N/c2ccc(Br)cc2)c1O[C@@H](C)C(=O)O 409236083 RRDPRKVYEHXYLD-VSMYLPJWSA-N 378.222 4.060 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc2c1 1223594 OHDBCQKDZNIYLI-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC[C@@H]1/C(=N/O)C2=C(CC(C)(C)CC2=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 4073773 YCUGTVORTDTIRL-SIKHDPOISA-N 398.503 4.116 30 40 GIEB biogenic C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(C)c1 5478491 XNBLCXGLVTXEDE-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB COc1ccc(C(=O)[C@@H]2O[C@H]2c2csc(C)n2)c(OCc2ccccc2)c1 5748715 GGYZYJRALXQSLM-SFTDATJTSA-N 381.453 4.362 30 40 GIEB COc1cc(/C=C2\S/C(=N/c3cccc(O)c3)N=C2O)cc(OC)c1OC 6641365 FUHKYECGYRQAKW-SXGWCWSVSA-N 386.429 4.150 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1F 19901599 ZGALTQPYTIEYRU-LJQANCHMSA-N 375.415 4.132 30 40 GIEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 20650604 RXGFFVZHPCPOOK-OCKHKDLRSA-N 376.437 4.111 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1C1CC1 23517347 SPOMGDHAWVULLA-CYBMUJFWSA-N 379.489 4.009 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccs2)n2ncc(C#N)c2N1 101470009 RQMIMVPDLHSENO-IBGZPJMESA-N 389.484 4.361 30 40 GIEB CCc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102534127 WFCBCPVWYICAIC-GHNGSUTGSA-N 394.452 4.233 30 40 GIEB N#Cc1ccc(OCC(=O)/N=C2\c3ccccc3CN2c2ccc(F)cc2)cc1 103336515 HMCREBUYOMJNPO-WNAAXNPUSA-N 385.398 4.070 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218456241 HWJWRIGEYHTQTL-HSALFYBXSA-N 389.904 4.135 30 40 GIEB C=CCSc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260810750 JWNWBQZJSPMKSF-AWEZNQCLSA-N 388.562 4.300 30 40 GIEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OC 409031144 JABJOWCQONNGQN-SQFVCTCFSA-N 382.663 4.071 30 40 GIEB C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O 409221142 LMIBJPIAMYYDFP-GZTJUZNOSA-N 398.846 4.270 30 40 GIEB COc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 1354442 PNSMLZFUMAOJAU-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB COc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(OC)c1 4944944 RNIOJNOESRZPAG-SFHVURJKSA-N 395.430 4.371 30 40 GIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 6003376 QPMKYLJSIBKXAD-BDJLRTHQSA-N 399.491 4.364 30 40 GIEB C#CCOc1ccc2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6300389 JTICTJWJLCJDFG-FYJGNVAPSA-N 390.355 4.114 30 40 GIEB N#Cc1ccccc1COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6535686 UFLHVLGSNXIVKR-UHFFFAOYSA-N 380.407 4.163 30 40 GIEB O=C(/C=C/c1ccc(-n2ccnc2)c(F)c1)c1cccc(N2CCCC2=O)c1 25061157 SFTIVQOLORFPPE-VQHVLOKHSA-N 375.403 4.034 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 36093481 HDKRICRDGRISIS-JIIKEMMSSA-N 381.501 4.248 30 40 GIEB CCC[C@H](C#N)NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 58172282 NWCQYRWXCKWPAZ-JXVRESAISA-N 384.483 4.420 30 40 GIEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)cc1O 59566764 WXYMEOVOQROMHL-MLPAPPSSSA-N 381.240 4.296 30 40 GIEB CCOc1ccc2nc(Cl)c(/C=N/n3c(C)nc4ccccc4c3=O)cc2c1 79112363 INFXFAZXKBORHK-FSJBWODESA-N 392.846 4.187 30 40 GIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218456395 HWJWRIGEYHTQTL-SLFFLAALSA-N 389.904 4.135 30 40 GIEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873451 ZNTVTYHWBVCGER-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CCCCc1nc(SCc2ccc(Br)cc2)nc(N)c1C#N 225893006 WOKVTEIQWNSNPF-UHFFFAOYSA-N 377.311 4.328 30 40 GIEB Cc1nsc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)c1C#N 594106476 YNMFSYVFLHFSBE-UHFFFAOYSA-N 382.367 4.033 30 40 GIEB O=C1CCCC2=C1C(c1c[nH]nc1-c1ccc(F)cc1)C1=C(CCCC1=O)O2 1087937 OWVUVYIEVYTHKG-UHFFFAOYSA-N 378.403 4.344 30 40 GIEB COc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 1354383 WHWKVUKHCSDGIZ-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3228061 BQUZLPAWTGWWJP-UHFFFAOYSA-N 383.618 4.314 30 40 GIEB CCCc1nc([C@@H](C#N)c2ccc(F)cc2)c2nnn(Cc3ccccc3)c2n1 4985476 YSKTXTLYWBXVOP-SFHVURJKSA-N 386.434 4.017 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3 5878295 PFANIINQHQIIBK-QWHCGFSZSA-N 376.547 4.040 30 40 GIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)O[C@@H](C)C4)o3)o2)c1 12418980 RODYTDOPCGRQEE-HOTGVXAUSA-N 393.443 4.307 30 40 GIEB N#Cc1ccc(CN2CCN(Cc3cc4ccccc4nc3Cl)CC2)cc1 21843031 GHLAOGDXMIOFPK-UHFFFAOYSA-N 376.891 4.078 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 32931241 LMRLEVMGMCWNEG-OALUTQOASA-N 377.513 4.066 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1 33776733 QDEINCFRUMQRIC-RBBKRZOGSA-N 380.440 4.023 30 40 GIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(Br)cc3)C2=O)s1 137199449 PGSOGFPVEFKIJS-LNYDFZRASA-N 394.319 4.281 30 40 GIEB COc1ccc(C)cc1/N=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408778596 IAKNAUIYPNNSBZ-LPYMAVHISA-N 398.484 4.134 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(=O)N1CC 408887833 RODREFWAUXKWMJ-WJACMBERSA-N 398.484 4.435 30 40 GIEB COC(=O)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243105 JTEPTGTUNIEIMA-UHFFFAOYSA-N 382.178 4.124 30 40 GIEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccncc1 623102 JWBCVNFNFXUNQE-UHFFFAOYSA-N 393.516 4.060 30 40 GIEB C=CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 1843333 OLVUHPQORFPVJF-BOPFTXTBSA-N 375.255 4.067 30 40 GIEB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2ccc(C#N)cc2)cc1 3431024 ITIZHCIYHGAXBX-UHFFFAOYSA-N 392.480 4.352 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)nc1-c1ccccc1 4661215 GLZWLGFKHFZXQH-UHFFFAOYSA-N 377.425 4.111 30 40 GIEB Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)c2)n1 31785610 VMGWOBCBMCZLBD-UHFFFAOYSA-N 377.835 4.028 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 38855794 WVKDQKPCVJJCLD-UHFFFAOYSA-N 391.515 4.087 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)c1 59435665 GLYBWVJIOIUVDN-QNGOZBTKSA-N 389.451 4.124 30 40 GIEB N#Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 107101324 ZXDNKSNGEFXVTM-UHFFFAOYSA-N 391.740 4.063 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C)cc1 2454332 OVMBOJOOCJEXLY-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 2478949 XSKJYWPKWQXGJV-XMMPIXPASA-N 390.483 4.095 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 4664404 CFHBPNALYXAKKP-DLTWUOELSA-N 396.468 4.106 30 40 GIEB CCCCCN1/C(=C/c2ccc(OC)cc2)C(=O)c2ccccc2S1(=O)=O 5274938 GNVKCOZOVKREQA-XDJHFCHBSA-N 385.485 4.114 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 7672278 RTZWPNVICYMSLY-UHFFFAOYSA-N 398.802 4.127 30 40 GIEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 16125482 QXPGFWNTSKMPDG-IRXDYDNUSA-N 388.307 4.366 30 40 GIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccs1 24672158 RACPBPJBXDVVLC-LJQANCHMSA-N 392.565 4.325 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2C)cc1OCC 33770720 LINGDCIBDPSNIM-UCQKPKSFSA-N 384.476 4.480 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1 100926349 NHOLDGJSIDSXOK-HKAKVCCISA-N 398.528 4.232 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 102528485 NHELJRZKDLUHLH-WOOAAIBNSA-N 397.471 4.035 30 40 GIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1C)C(=O)N2C1CSC1 223724989 XBCKDMLNCXZIPJ-NMWGTECJSA-N 385.920 4.489 30 40 GIEB O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N\O)cc2Br)cc1 226339617 QXUADBWDCBZOJC-IDUWFGFVSA-N 385.601 4.398 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 2055481 UMUARLXPRSZNEU-HXUWFJFHSA-N 381.472 4.028 30 40 GIEB C=CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2COC)c1C 3434159 KBALLCRZWQZWSE-UHFFFAOYSA-N 381.428 4.223 30 40 GIEB CC(=O)/C(=C\n1c(=S)sc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 8651968 AKIFWSLMJSPRGH-GXDHUFHOSA-N 399.453 4.409 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2nncn2C2CC2)n(C2CCCCC2)c1C 10649629 FGBWBZNIMRAELB-UHFFFAOYSA-N 398.536 4.139 30 40 GIEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 95680390 ZPTTUFVORSZZFO-BJJNNOASSA-N 390.495 4.357 30 40 GIEB CCCCCCCN1C(=O)C[C@@H](C(=O)NC)S/C1=N\c1cccc(Cl)c1 97959673 NLWSUMLGCTTZRU-VFOOBRQFSA-N 395.956 4.378 30 40 GIEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C#N)cc2)C(=O)C1 100004687 BEMRBFZYOWCMBU-HXUWFJFHSA-N 393.483 4.417 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 109033898 YCUQYENCZVDZRV-OALUTQOASA-N 391.515 4.016 30 40 GIEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)cc1 225887441 KCKPYLPHVMQYHD-UHFFFAOYSA-N 381.819 4.223 30 40 GIEB C=CCOc1ccc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1Br 408930453 XJBJYLUZZFCCGH-FFAYTRQJSA-N 395.322 4.326 30 40 GIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)s1 4137533 GJZYBMMNSXZFDA-HNNXBMFYSA-N 387.530 4.205 30 40 GIEB CC[C@@H](C)c1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 4741843 SMVILGAUYCTKEA-PXAZEXFGSA-N 398.466 4.031 30 40 GIEB COc1ccc(/N=C/c2cc(I)cc(C)c2O)c(OC)c1 6202601 NCGXYBXMWQPFKV-GIJQJNRQSA-N 397.212 4.073 30 40 GIEB Cc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)c(Br)c1 7856173 LOPVAFJGYWJLGP-UHFFFAOYSA-N 379.641 4.300 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OCC)cc3)ccc21 8958775 OVVJIZZPFFIFRT-UHFFFAOYSA-N 394.471 4.275 30 40 GIEB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(c2ncccc2C#N)CC1 32779354 YRKIVNCXLNDIQT-HXUWFJFHSA-N 381.451 4.046 30 40 GIEB COCc1cc(C)nc(N/N=C/c2ccccc2OCc2ccccc2)c1C#N 59433718 GMKBQRYLSXUGDP-AFUMVMLFSA-N 386.455 4.433 30 40 GIEB CCCCCCCN1C(=O)/C(=C/c2ccc(OCCO)cc2)SC1=S 59608587 RREVYHOUYNTJQB-VKAVYKQESA-N 379.547 4.229 30 40 GIEB CC(C)/N=C(\c1cccs1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 71843664 JHJKMIPJJIPCAO-ZBJSNUHESA-N 389.952 4.405 30 40 GIEB CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C 97940400 PBQJDDGLAGQRHB-UHFFFAOYSA-N 377.554 4.388 30 40 GIEB Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)cc1 102341424 QGYCFTTWTKCJOW-LNMJFAINSA-N 392.480 4.365 30 40 GIEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225577490 YTUAYEFAXYZAQX-UHFFFAOYSA-N 385.870 4.396 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2C)c1C#N 409178884 OOHQUZMRARMPMN-UHFFFAOYSA-N 375.881 4.101 30 40 GIEB CC1=CC(C)(C)N2C(=O)/C(=N/OC(=O)NC3CCCCC3)c3c(C)ccc1c32 2033970149 DXMQOTFRTMGKJF-HKOYGPOVSA-N 381.476 4.300 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 2063665 WUSLVXDSCKQSOK-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB O=C(O)c1cccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)c1 6527422 PPJUXHNVWVLEMO-UHFFFAOYSA-N 384.387 4.426 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103647 UYNOWKMARHAOJT-DOTOQJQBSA-N 391.496 4.341 30 40 GIEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 8116575 QZMBWZMXZWLMJS-BUVRLJJBSA-N 390.439 4.472 30 40 GIEB CCCC(=O)[C@](C#N)(c1ccccc1)c1ccc(N/N=C(\C)C(=O)OCC)cc1 11692130 UWYKTCFSBPHYIJ-QADUPLGGSA-N 391.471 4.216 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(SC)c3)ccc2c1=O 12632943 ZKNNQZTZOYGXGG-UHFFFAOYSA-N 383.498 4.219 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19228792 SUXCWUCCDQXWJV-HXUWFJFHSA-N 382.504 4.419 30 40 GIEB Cc1cccc(-n2c(SCC(=O)N[C@](C)(C#N)C3CC3)nc3ccccc32)c1 23547393 XQJDYLIVGADEPY-JOCHJYFZSA-N 390.512 4.235 30 40 GIEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 28629525 VQBKNFJOAVJQLI-QGZVFWFLSA-N 376.437 4.234 30 40 GIEB CC(C)(C)c1cc(NC(=O)COc2ccccc2C#N)n(-c2ccc(F)cc2)n1 32832907 FKOVAVMCEHKBQF-UHFFFAOYSA-N 392.434 4.198 30 40 GIEB COc1ccc(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)cc1 32984180 PKQDIPIBCHVVCF-UHFFFAOYSA-N 391.448 4.345 30 40 GIEB CCOc1ccc(-c2cs/c(=N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2C)cc1 33337728 NAATZQCRSKRENO-KTYUDDGUSA-N 396.472 4.385 30 40 GIEB COCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1cccnc1 35314478 XHESMSBZQKDXIS-GYHWCHFESA-N 392.528 4.357 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccccc1OC 408707018 HYBYJAFHFUMXRA-UHFFFAOYSA-N 376.541 4.349 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(CC)CC)o3)S2)cc1 408808121 DIMKZAOYFXDVOD-LGMDPLHJSA-N 385.489 4.416 30 40 GIEB C=C1OC(=O)C=C(OC)[C@]12[C@@H](CCC)Cc1oc(=O)cc(OC)c1[C@@H]2CCC 1772591630 IWWMEIAQPIOWDB-DFFLPILJSA-N 388.460 4.092 30 40 GIEB C=CCc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccccc34)c(=O)oc12 1075311 PHOJAKYDESFKMC-UHFFFAOYSA-N 386.451 4.284 30 40 GIEB C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nnc1-c1cccc(C)c1 3400843 CQJAGQZWMYLYDT-UHFFFAOYSA-N 392.528 4.190 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](CCCC)C(=O)O)C1=O 5371426 VNTRXWNHAYUPNL-IZCBMXNHSA-N 391.514 4.096 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(OC)c1 5501466 YRHDUBSSXZLKOX-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(-n2cnnn2)c1 7781976 XOQKSCJTVFCKJF-LSHDLFTRSA-N 380.761 4.171 30 40 GIEB COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC 23609860 IXNOSWGAKQXZID-MDZDMXLPSA-N 393.399 4.002 30 40 GIEB COc1ccc(CCc2n[nH]c(/N=C(\O)Cc3c(F)cccc3Cl)n2)cc1 95477721 WXRHRNDHTADGQN-UHFFFAOYSA-N 388.830 4.222 30 40 GIEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(-c2ccccc2)cc1 96510089 DOAVWHWXRNMECE-UHFFFAOYSA-N 380.494 4.370 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)cc1 101650749 DXLYXVVYUDPTLD-KGNHYALCSA-N 395.528 4.456 30 40 GIEB C=CCOc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225741268 AIAZFKAOFYKDOL-KRWDZBQOSA-N 381.545 4.379 30 40 GIEB Cc1sc(NC(=S)NC(=O)c2ccccc2Br)c(C#N)c1C 408628578 VBSYCPFYWZANIS-UHFFFAOYSA-N 394.319 4.126 30 40 GIEB Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 408931169 HYNDWHPUEWZSJG-RGVLZGJSSA-N 395.684 4.395 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cccc(C(=O)O)c1 409058869 YXRPUWJOOLSYAM-WBCKRXDOSA-N 396.468 4.326 30 40 GIEB CCCOc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1OC 4170644 DKQFTLCNOHGUNS-UHFFFAOYSA-N 397.438 4.277 30 40 GIEB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1cccc(C#N)c1 5212746 RTAMZDFVCZSNEZ-NSHDSACASA-N 380.498 4.171 30 40 GIEB COc1cc(/C=N/N=C(/N)S)ccc1OCc1ccc(Cl)c(Cl)c1 6090295 JFTZDFKZBALMSW-DNTJNYDQSA-N 384.288 4.159 30 40 GIEB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7297851 AIXLCBPXGWMOPX-SNVBAGLBSA-N 388.518 4.268 30 40 GIEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2)NCc2ccccc2)n1 14156574 INKOLQYOLGNAOL-UHFFFAOYSA-N 390.516 4.048 30 40 GIEB Cc1ccc(S(=O)(=O)c2nc(N/N=C/c3ccccc3)sc2Cl)cc1 14671775 UMUNJIWWFNWNBF-YBFXNURJSA-N 391.905 4.384 30 40 GIEB C/N=C1\S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C(=O)N1C 15013597 WTYITEYMVJJKFK-FOLIBTTPSA-N 382.485 4.115 30 40 GIEB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)c(F)c1 16389491 PILYXYBOTISOLX-QHHAFSJGSA-N 390.798 4.120 30 40 GIEB CCOc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 21274609 FOHDCZMCWDUUPW-FMIVXFBMSA-N 388.467 4.366 30 40 GIEB Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1F 38654389 XAXRTVJOOUHAPT-UHFFFAOYSA-N 388.446 4.409 30 40 GIEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 57600752 BTIQAQKFOTYDAV-IOMROCGXSA-N 394.600 4.478 30 40 GIEB CC(C)(C)OC(=O)N1[C@H](C#N)CCC12CCN(C(=O)OCc1ccccc1)CC2 95829445 QBJSHXZRTPYLTA-SFHVURJKSA-N 399.491 4.081 30 40 GIEB C/C(=N\O)c1sc(Br)c(Br)c1Br 96525477 XLORCBPWSYOERD-WTDSWWLTSA-N 377.883 4.234 30 40 GIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224653789 KOBKPVKKFBAHRX-UHFFFAOYSA-N 385.407 4.404 30 40 GIEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225051710 NGEUKYDIUVDTJX-UHFFFAOYSA-N 381.453 4.008 30 40 GIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(=O)O 408909166 FJOJKWUKVHPKHU-MTJSOVHGSA-N 378.388 4.147 30 40 GIEB O=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2ccc(Br)cc2)o1 409072762 DGTJTBZPKVKVGU-GRSHGNNSSA-N 387.193 4.458 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 3073697 WCUCASXZBPHHRM-OAQYLSRUSA-N 383.488 4.397 30 40 GIEB C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 3483295 YKCGCODCDOOPMD-UHFFFAOYSA-N 398.919 4.290 30 40 GIEB Cc1cnc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)s1 6084147 DYZRPSUKMHCSGX-KNQAVFIVSA-N 389.528 4.322 30 40 GIEB Cc1cccc(NC(=O)C[C@H](C)NCCSCc2ccccc2C#N)c1C 9155439 VEQFXKNAZKYUKD-KRWDZBQOSA-N 381.545 4.415 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 19498458 XQTONMQIEUVIBN-VWLOTQADSA-N 390.527 4.135 30 40 GIEB COc1ccc(CN/N=C/c2cccc(OCc3ccccc3)c2)cc1OC 20196081 DSKZXZHRNLGPRQ-BUVRLJJBSA-N 376.456 4.407 30 40 GIEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1Sc1nc2ccccc2s1 21960887 KPPRZGIYFRNQCW-LLVKDONJSA-N 392.465 4.171 30 40 GIEB COC(=O)c1ccc(/C=C(\C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 35403674 LFKXVUNRGCKLOX-PGMHBOJBSA-N 385.419 4.378 30 40 GIEB COc1cc(/C=C(/C(=O)C(F)(F)F)c2nc3ccccc3[nH]2)cc(OC)c1 50934978 MCVQMRALMPSQCQ-ZROIWOOFSA-N 376.334 4.252 30 40 GIEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 109003032 ZQVSRYBFJWHYRG-UXTWZOPHSA-N 391.452 4.408 30 40 GIEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224967627 HUWRGJUSLJQRMO-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408914418 PTJGNNWOQKOKRT-WSDLNYQXSA-N 393.399 4.460 30 40 GIEB O=[N+]([O-])c1cccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c1 409102645 DUEWVMOYFOEZET-SSDVNMTOSA-N 375.310 4.245 30 40 GIEB C[C@H](NC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 2370427 JHAUZUIBRFOYAR-PKOBYXMFSA-N 399.498 4.105 30 40 GIEB Cc1ccc(/N=C2/C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1 3671260 XHWXRUNBTDCCPF-SHHOIMCASA-N 381.479 4.478 30 40 GIEB Cc1nc(SCC(=O)N(C)Cc2c(F)cccc2Cl)c(C#N)c(C)c1C 12608117 QMIWCXABWOEIOG-UHFFFAOYSA-N 391.899 4.422 30 40 GIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 12662286 BVBVJMNQRSOASL-BJXYZAEASA-N 394.423 4.198 30 40 GIEB biogenic CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 13136008 ROHGXJVVLVRSCT-ZUZCIYMTSA-N 387.530 4.287 30 40 GIEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)C1 20533325 OJSCKPWZPIBZSG-GNKPEBMXSA-N 394.427 4.149 30 40 GIEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCCC3)o2)cc1 27562214 XJYOWKLOUGNNTN-SFHVURJKSA-N 378.432 4.064 30 40 GIEB COc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1OC 27990728 IFACGQDBWAGQTI-OAHLLOKOSA-N 398.488 4.007 30 40 GIEB C=CCN1c2ccc(C(=O)Nc3ccccc3)cc2-c2ccccc2S1(=O)=O 33271879 RKQLFMWSWZKZJG-UHFFFAOYSA-N 390.464 4.301 30 40 GIEB C[C@H](C#N)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 39574178 SRPCJTWGMOWHNZ-CYBMUJFWSA-N 395.454 4.276 30 40 GIEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1 408752059 FAXKCXPLBRKPRT-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 3289314 CDCMVYNTPKERLD-GOSISDBHSA-N 383.448 4.408 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4502299 NECXWHVXNKMAKE-BFUOFWGJSA-N 380.835 4.249 30 40 GIEB COc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1 4550863 FMPHJGWYPWHNHZ-UHFFFAOYSA-N 381.482 4.421 30 40 GIEB CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 5247705 SWJLTKXURNHVHE-OCYPSCKBSA-N 390.863 4.300 30 40 GIEB biogenic N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCCCC2 6928835 TWRRRJIVAGMOCA-MDZDMXLPSA-N 398.459 4.223 30 40 GIEB C/C(=N\Nc1ccc(C)c(Cl)c1)c1ccc(OCC(=O)N2CCCC2)cc1 7941458 WINWWFLCKZBGCB-XQNSMLJCSA-N 385.895 4.486 30 40 GIEB CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 8450006 FDZIZJWPHNBTAW-GQSCTRQFSA-N 383.488 4.488 30 40 GIEB Cc1c(/N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C 21487108 ZDBHDXWPCYLXHP-ODYMTFIRSA-N 386.499 4.498 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1)Nc1nonc1N2 40286817 GNEXLBWRECTLQB-IFXJQAMLSA-N 376.391 4.188 30 40 GIEB CCC(CC)CN(CCC#N)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 72314442 SJMTVBQNMOIPOK-UHFFFAOYSA-N 384.524 4.415 30 40 GIEB COc1ccc(Oc2ccc(/N=C/c3ccc(OCC(N)=O)cc3)cc2)cc1 197499187 KAHITICEJATBMS-ZVHZXABRSA-N 376.412 4.102 30 40 GIEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1 224723947 HPJSCFNPLIJFGB-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224872817 MFUDFRQQKAVSFN-UHFFFAOYSA-N 387.501 4.398 30 40 GIEB COc1ccc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc23)cc1 254292033 SRZVXUIGGSFIPX-UHFFFAOYSA-N 376.441 4.357 30 40 GIEB COc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408722279 GHVSFBMDKIGJCO-LNVKXUELSA-N 390.395 4.407 30 40 GIEB CSc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409140719 RZWRLIGWECKKOV-GDNBJRDFSA-N 388.901 4.462 30 40 GIEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3CCOCc3ccccc3)n2)cn1 585294536 HXGRQCFHMBFOHE-QHCPKHFHSA-N 399.498 4.446 30 40 GIEB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 596839478 LTBQGLMXRFLCMW-IBGZPJMESA-N 386.459 4.125 30 40 GIEB O=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)c(O)c([N+](=O)[O-])c1 2279295 JUONMNNXFYMELB-SRZZPIQSSA-N 388.339 4.061 30 40 GIEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/c1ccc2[nH]c(=O)[nH]c2c1 3233551 JUTVBSPNORACFD-ZVBGSRNCSA-N 386.242 4.408 30 40 GIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(Br)o2)S1 5376715 CRZHCIJLGMJJKK-UKTHLTGXSA-N 393.262 4.332 30 40 GIEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6047867 BTGGUBXAFYFMRH-LFYBBSHMSA-N 375.877 4.021 30 40 GIEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc(CNC(C)=O)s1)O[C@H](C)C2 8745270 AVJOJJKNBPDBEY-VUDGCMKMSA-N 385.485 4.002 30 40 GIEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 12816728 FQRNSRAPSPNILI-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 16682311 DKAODTYSSHLGGE-UDWIEESQSA-N 378.472 4.061 30 40 GIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1[C@H](C)CCC[C@H]1C 35448622 JFNMGPBKLXHVGL-ISORKSKUSA-N 382.302 4.001 30 40 GIEB COc1cc(CN(C(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F 40115606 OLAKRDRHSVAJLU-UHFFFAOYSA-N 387.386 4.365 30 40 GIEB C=CCc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(OC)c1O 408852143 CNMHGJIBKYXKGV-BOPFTXTBSA-N 384.432 4.160 30 40 GIEB N#Cc1c(-c2ccc(Br)c([N+](=O)[O-])c2)c(-c2ccccc2)c[nH]c1=N 408979779 OLYOUSPDUBHTFI-UHFFFAOYSA-N 395.216 4.371 30 40 GIEB CCOc1ccc(/C=C/C(=O)c2cc(Br)ccc(NC)c2=O)cc1 4667392 IQKBXKPMUZXPCE-IZZDOVSWSA-N 388.261 4.146 30 40 GIEB COc1cc(/C=N/N=C(\S)Nc2ccccc2)cc(Br)c1OC 5237191 WJFRGIYUXSRAJH-VCHYOVAHSA-N 394.294 4.198 30 40 GIEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1cccc(Br)c1 5551147 SNFHRNXFVZYPJG-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 9323830 CNNLXBQQCYJTJD-VGOFMYFVSA-N 381.240 4.360 30 40 GIEB C[C@@H](NC(=O)CS/C(=N\C#N)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 13942149 VMWFGIYEFFZTRH-NOCBQHASSA-N 396.560 4.390 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1Cl 19959822 RRGYKHWKFHQLMH-RMLUDKJBSA-N 382.773 4.218 30 40 GIEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cc(C(C)C)cc(Br)c1O2 100489979 HSHOIRUJWDCQDM-QGZVFWFLSA-N 380.238 4.366 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 105516527 JRLBFKVQXGCDGT-NDQXZWKXSA-N 380.831 4.131 30 40 GIEB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 217830471 ODOPAOQPYJEVSI-GOSISDBHSA-N 386.455 4.012 30 40 GIEB C=CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704323 LXSUGLYJASMSKY-HXUWFJFHSA-N 386.904 4.030 30 40 GIEB Cc1c(Cl)cccc1/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408856001 HRQZFVSWPAKJRR-CFRMEGHHSA-N 395.890 4.213 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Br)C1=O 409097580 MPQRUEWBBNOBRP-RIYZIHGNSA-N 398.278 4.079 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C 2436759 BNSQLBKUGJRMAX-UHFFFAOYSA-N 384.530 4.156 30 40 GIEB N#CCCN(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 3219483 PFLJUJXDRLYROW-UHFFFAOYSA-N 398.462 4.386 30 40 GIEB CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1 4681822 BGUIYNYNPMXXBE-VGLIXDPASA-N 391.855 4.069 30 40 GIEB COc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4737438 KJAQBCDMXPABMS-XBXARRHUSA-N 385.213 4.460 30 40 GIEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4871924 BBRQTFDMMPYKHK-RGVLZGJSSA-N 392.868 4.358 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2)CC1=O 4910485 NVEPSQGSLWPCCF-IBGZPJMESA-N 389.499 4.316 30 40 GIEB Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)NC2=O)c(C)c1 5532395 AVZVFACXTAYYOW-GOSISDBHSA-N 395.528 4.477 30 40 GIEB C=CCn1ncc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c1C 12118212 JPNJLMGEQCVPNX-UHFFFAOYSA-N 381.568 4.084 30 40 GIEB Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccc(C(=O)O)cc1 13343726 PHORHVFAQUICQA-SSDVNMTOSA-N 389.436 4.014 30 40 GIEB O=[N+]([O-])c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 16524081 HFGIHQMJIYXAIG-UQQQWYQISA-N 398.466 4.316 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)c1c(O)n[nH]c1N2 18200814 BJIUIXCCFFKENF-ZBEGNZNMSA-N 381.819 4.320 30 40 GIEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21721984 UJJOOUBUPZWULD-QFIPXVFZSA-N 395.528 4.255 30 40 GIEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 68042103 AJDWKBSNFYZGFY-ORCRQEGFSA-N 396.182 4.261 30 40 GIEB C[C@@H]1CN(C(=O)C2(C#N)CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C 95441934 BCBMGKPTHXIUHP-MRXNPFEDSA-N 383.492 4.243 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1 528955906 RZLBLCPJACSFCE-QRQCRPRQSA-N 393.443 4.048 30 40 GIEB N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H](Cc1ccccc1)c1ncco1 594248368 NTJDQTKUWGTOTC-RTWAWAEBSA-N 386.455 4.207 30 40 GIEB N#CC1(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCN(Cc2ccccc2)CC1 599749063 GFCYLTXDXNQSLG-DHIUTWEWSA-N 387.527 4.245 30 40 GIEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(Cl)cc3Cl)cnc12 2323430 ICYFZWILTQSPHP-GZIVZEMBSA-N 387.226 4.075 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(O)cc2)C1=O 4672065 HDIMOPWBXPXKBO-WJDWOHSUSA-N 385.416 4.075 30 40 GIEB O=C1Nc2ccc(Br)cc2/C1=N/N=C1/C[C@@H](c2ccccc2)N=N1 4695777 ZWWICSDDUGFBED-LWOZTNPUSA-N 382.221 4.101 30 40 GIEB COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)c1 4880811 SGBTUQGUXSHNJF-UHFFFAOYSA-N 379.441 4.414 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 4997939 OBGGLSSBVZYGLF-UHFFFAOYSA-N 379.485 4.012 30 40 GIEB Fc1ccc(-c2cs/c(=N\C[C@H]3CCCO3)n2/N=C/c2ccccc2F)cc1 6598394 JKSLAJJQONKJJS-PFGMRPHRSA-N 399.466 4.457 30 40 GIEB N#Cc1ccsc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 6932672 BGQMFGVFWOSFFK-UHFFFAOYSA-N 382.514 4.048 30 40 GIEB CCCCCC[C@@H](C)/N=C(/S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8687979 WYWHJMYLFXZABE-OAHLLOKOSA-N 385.599 4.302 30 40 GIEB CCN1C/C(=C/c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 12604474 BTHRLOIIFIECKT-KBNZVFGVSA-N 389.543 4.190 30 40 GIEB CC/N=C1\S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1CC 59104808 WXGBICCACSCDSF-NCZFNZNSSA-N 389.702 4.120 30 40 GIEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1CCCC 100842632 GDULOQHOVUWZNE-SGRLSNSRSA-N 375.538 4.224 30 40 GIEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223130662 CVQUIBCGVHTKPV-NRFANRHFSA-N 398.934 4.238 30 40 GIEB C=CCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 225873307 KAJPNZRNUHLTBR-UHFFFAOYSA-N 389.930 4.481 30 40 GIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccco2)CC(=O)O3)C1=O 1081801725 SQUDOWASYIFVKP-SKCQWOFPSA-N 388.375 4.345 30 40 GIEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21 1125647713 NJTDNRFEWVANNL-YZGWKJHDSA-N 398.275 4.136 30 40 GIEB CCOc1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)cc1 977013 SOUVBBGPWUNIPO-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(C)c1C 2231067 PKGKRUDZAQUYOZ-UHFFFAOYSA-N 398.557 4.464 30 40 GIEB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(C#N)cc1 3350663 LILFXNVGZZHWPR-UHFFFAOYSA-N 379.641 4.300 30 40 GIEB Cc1cc(C)nc(N/C(=N\C(=O)c2ccc(F)cc2)Nc2ccc(F)cc2F)n1 4573124 UVLJLRYPQIRTOQ-UHFFFAOYSA-N 399.376 4.231 30 40 GIEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 4616760 KEVFMKLVUYCJIL-BWORXHKJSA-N 387.892 4.320 30 40 GIEB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1C#N 6559901 GCQLGRMTKQZKJS-LBPRGKRZSA-N 381.486 4.273 30 40 GIEB C=CCNC(=S)NCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 12558711 XDCDMOBKUJEUJP-FLFQWRMESA-N 394.569 4.099 30 40 GIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 13511458 JMKJZHKMDUEINT-WXFUMESZSA-N 377.484 4.394 30 40 GIEB C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccccc1 13633685 UTBLKEPKJQPCSL-CFRMEGHHSA-N 377.473 4.159 30 40 GIEB Cc1ccc(/N=C2\C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1 15218504 XHWXRUNBTDCCPF-LCUIJRPUSA-N 381.479 4.478 30 40 GIEB CC(C)OC(=O)CSc1nc(O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 15859794 KIUUYNMQHZUOJI-UHFFFAOYSA-N 385.489 4.062 30 40 GIEB C[C@H](/C(O)=N/C1CCCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395689 SFOCNTZMIFRDEV-OAHLLOKOSA-N 383.458 4.111 30 40 GIEB CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC 73410108 VEWSIAVHSPXXPI-UHFFFAOYSA-N 383.621 4.391 30 40 GIEB CCCCCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21 102520721 NZFKVEPTVVYMAU-UHFFFAOYSA-N 394.475 4.110 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 102802710 XWBOIIKPZUICJP-LFVOPCPISA-N 399.874 4.107 30 40 GIEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 103984464 KDHPHUQYGIQPGP-LUKYLMHMSA-N 384.549 4.371 30 40 GIEB COc1ccc(OCc2nc(SCc3ccc(C)cc3)nc(N)c2C#N)cc1 223695473 MAVDNTZNZIYRCH-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB C=CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408936724 HLSPCJRREGWOMB-ZDLGFXPLSA-N 376.756 4.167 30 40 GIEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccccc2Cl)c1 409351561 UWYLNBGAXCFGAB-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1 4116323 RQSVSQADLPEUCB-FSJXIACGSA-N 390.483 4.480 30 40 GIEB N#Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 7166613 VNSLKLLFEJVWEO-UHFFFAOYSA-N 395.396 4.060 30 40 GIEB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCC#N)cc12 7535969 BBCPJNURCNZMKU-UHFFFAOYSA-N 380.256 4.442 30 40 GIEB N#CCCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 7738745 STYWNMLEGJOLSV-UHFFFAOYSA-N 390.390 4.098 30 40 GIEB CC(=O)c1cccc(/N=C/c2cc(I)cc(C)c2O)c1 16269557 TYZLXNGVYBBAJS-GIJQJNRQSA-N 379.197 4.258 30 40 GIEB CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1c(F)cccc1Cl 24679249 BHOURDJFAGYFKS-AWEZNQCLSA-N 394.837 4.148 30 40 GIEB Cc1ccc(OCc2nnc(SCc3cn4ccccc4c3C#N)o2)cc1 58167550 CZOXURZVTRIIJA-UHFFFAOYSA-N 376.441 4.374 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cccc1OC 100765951 ZIDIXLVNOMAIQS-OALUTQOASA-N 397.490 4.414 30 40 GIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O 101662389 MHIWZRXIAZCFPK-HSZRJFAPSA-N 395.503 4.449 30 40 GIEB COc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1OC 1070184 IGFWUSHYMSGLRK-UHFFFAOYSA-N 379.441 4.194 30 40 GIEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 2322156 PDAQKJUBDMNJBP-KRWDZBQOSA-N 380.492 4.373 30 40 GIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2397755 MPRBKEPTPPVWBQ-UHFFFAOYSA-N 395.466 4.340 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 4385962 RGGQJWKJGIGYDE-MRXNPFEDSA-N 395.890 4.271 30 40 GIEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCC)c(OC)c2)cc1 5959515 FYNNSLORWIQZCU-FYJGNVAPSA-N 398.488 4.296 30 40 GIEB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1C#N 6612080 JXKMBDOQTAAOFS-HNNXBMFYSA-N 398.418 4.366 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c1 6641318 SCWSCMBBZGPLLR-YRNVUSSQSA-N 396.443 4.498 30 40 GIEB COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)cc1OC 7744477 XQDBSNTVTKUFME-VAWYXSNFSA-N 376.456 4.462 30 40 GIEB C[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(Cl)cc1Cl 8488958 OSQWOVQYFATONH-NSHDSACASA-N 376.243 4.337 30 40 GIEB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCC#N 16160991 HWKIVGATTYPDCS-ATVHPVEESA-N 396.244 4.158 30 40 GIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 20503231 QMUZOFAKTHOVFF-NRFANRHFSA-N 395.528 4.111 30 40 GIEB CCc1nnsc1/C(O)=N/c1nnc(SCc2ccc(F)cc2)s1 22740122 LKNRZDFYJMFQIM-UHFFFAOYSA-N 381.483 4.020 30 40 GIEB COc1cccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791504 QSVGTNUFRLNCOZ-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCOc1ccc(Cl)cc1 46084931 BIIBIPIKCHPNFQ-ZHZULCJRSA-N 385.634 4.251 30 40 GIEB CCCCCCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C 53338063 RXJWCEISMQZWDC-UHFFFAOYSA-N 380.558 4.066 30 40 GIEB CSc1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59247779 BTEJOCNYIMLJCR-WOJGMQOQSA-N 381.295 4.351 30 40 GIEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 103436850 AKPRQYHVDFKJND-FCDQGJHFSA-N 392.802 4.046 30 40 GIEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 225925131 ZJLJOJQLLYFQND-HNNXBMFYSA-N 383.521 4.120 30 40 GIEB O=C(NCc1ccccc1)c1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1 226758226 XRQNPWNQIYWRRE-YYADALCUSA-N 382.419 4.376 30 40 GIEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc21 408721812 ZHTUTVVQQKWBLM-SRZZPIQSSA-N 375.340 4.409 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 891574 IZODITIEMPJVLQ-KSSFIOAISA-N 383.517 4.292 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CN3CC=C(c4ccccc4)CC3)c2C#N)C1 3360792 LYIDXAKWYPBVCK-INIZCTEOSA-N 391.540 4.472 30 40 GIEB Cc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1C 3379118 BTWMVDRESUQQJU-CYBMUJFWSA-N 396.512 4.086 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1 3563047 JNXHBYNVPGIBJH-SOLBZPMBSA-N 384.549 4.164 30 40 GIEB O=C1CSC(N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)=N1 4690694 VMGUCYXEDNUTSK-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB C=CCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 4732470 YBQCQFJIMPHZAZ-SFHVURJKSA-N 380.448 4.143 30 40 GIEB O=C(NOC(=O)c1c(F)cccc1F)c1sc2cc(F)ccc2c1Cl 4948789 ASCOJQYPCRXXPZ-UHFFFAOYSA-N 385.750 4.474 30 40 GIEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5320433 CCKXVVUBSSWZMS-REZTVBANSA-N 385.163 4.264 30 40 GIEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 5551430 BPNFRQZFWDHLEP-AUWJEWJLSA-N 377.784 4.279 30 40 GIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)o1 8551011 YZMKDALFUQUWLH-QGZVFWFLSA-N 399.516 4.374 30 40 GIEB N#Cc1cccc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c12 96191703 WLHUJQHEUHASBC-UHFFFAOYSA-N 387.258 4.275 30 40 GIEB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCOCC2)cc1 153564709 AGPCFKRQESRDRB-UHFFFAOYSA-N 378.472 4.341 30 40 GIEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408914132 VOJMIXKEMTWHRP-DLTWUOELSA-N 380.469 4.486 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O 409048326 NZEXWDBCRSLFDH-KBVGCWLLSA-N 379.865 4.195 30 40 GIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)c1 409074457 LWPCYOYCCMJCKJ-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1cccc(Cl)c1 2463571 WOYCLXTVDGXYDQ-GOEBONIOSA-N 390.892 4.108 30 40 GIEB Cc1nc(Cl)nc([C@@H](C#N)c2nc3ccccc3s2)c1Br 3128847 LVZMYAIWCYSECQ-MRVPVSSYSA-N 379.670 4.466 30 40 GIEB COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 3176677 NILUTZCFABFIJP-UHFFFAOYSA-N 381.379 4.020 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1F 4904641 VWBAYPZVCVNMJW-RJGXRXQPSA-N 381.447 4.224 30 40 GIEB C#CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc1OCC 7717255 GIPZERVJFMVLEJ-RMKNXTFCSA-N 378.424 4.155 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OC(C)C)cc1 8570341 YXNDLYUENPGTCT-UHFFFAOYSA-N 377.444 4.352 30 40 GIEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCCc1cccs1 14160038 KMTXBNHFMFJTBN-INIZCTEOSA-N 376.481 4.413 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 19831891 SECFRAVOAJKANB-QGZVFWFLSA-N 399.368 4.447 30 40 GIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCCC4)CC3)nc2c1 20151405 KAXLWHXVDGVFBB-UHFFFAOYSA-N 376.504 4.034 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 33776419 BLRRPGWQQPUFRP-IIGRLWHBSA-N 394.544 4.305 30 40 GIEB C=CCn1c(Cc2ccc(Cl)cc2)nnc1[S@@](=O)Cc1ccc(F)cc1 35683071 IIIHJKMSJFHSST-AREMUKBSSA-N 389.883 4.155 30 40 GIEB CSc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611517 KWASTNMPAOJVJE-FBCYGCLPSA-N 383.260 4.361 30 40 GIEB N/C(=N\OCc1ccc(F)cc1Cl)c1cccc(OCc2cccnc2)c1 60320277 PRRYSYNWXFTYBM-UHFFFAOYSA-N 385.826 4.290 30 40 GIEB N#Cc1ccc(COCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 77191645 VGTNSZSBMPBTFD-UHFFFAOYSA-N 386.854 4.420 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC 408531096 ODKZPMHLJSGPAN-PDGQHHTCSA-N 398.871 4.252 30 40 GIEB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 599725321 XUDFRLWESKPHAP-FZNQNYSPSA-N 385.851 4.239 30 40 GIEB O=C1O[C@@H](c2ccc(Br)cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 2451885 IQVNOJDNAZHMMD-INIZCTEOSA-N 393.620 4.395 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C/c1cccc(C(F)(F)F)c1)CCCC3 2626167 NXOHZFRIRAFOFY-NUGSKGIGSA-N 377.391 4.238 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 4956817 JRIJTVMJZXYCGG-RXSWUABFSA-N 396.472 4.229 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 5025686 HDKRICRDGRISIS-OJIBODITSA-N 381.501 4.248 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 6514177 VLEONMHQYQSGFP-UHFFFAOYSA-N 388.851 4.350 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3ccccc3c2Cl)n1 6606142 XSUPOXKZMZJBCV-NSHDSACASA-N 390.873 4.353 30 40 GIEB COc1ccccc1OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 13623565 JWGHCIKLOLNSNL-UHFFFAOYSA-N 389.455 4.051 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427207 SBBVOSMEMOECMH-UDWIEESQSA-N 379.376 4.357 30 40 GIEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)c(C#N)c3)CCCCC2)cc1 225768682 QRCIBYQORMLEMP-UHFFFAOYSA-N 392.455 4.333 30 40 GIEB N#Cc1ccccc1Cn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 1104621 VQVNGWVBSGKVMN-GIJQJNRQSA-N 375.478 4.050 30 40 GIEB O=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)OC(F)(F)F 3153007 ABLHLFKEIBZMDN-UHFFFAOYSA-N 384.045 4.152 30 40 GIEB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1C#N 6559904 GCQLGRMTKQZKJS-GFCCVEGCSA-N 381.486 4.273 30 40 GIEB C=CCOc1ccccc1CN(C(=O)c1ccco1)c1ccc2c(c1)OCO2 6881865 QCOSDGIOSWZCNZ-UHFFFAOYSA-N 377.396 4.420 30 40 GIEB C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6909407 NYMMVGDNZRMRPC-GOSISDBHSA-N 382.464 4.384 30 40 GIEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc(C)cc1Cl 8491656 DTMGBJTWWKRPJR-ZVBGSRNCSA-N 388.880 4.372 30 40 GIEB C=CCNC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 12231504 YBHUJDNXCYKDNR-UHFFFAOYSA-N 383.463 4.143 30 40 GIEB C=CCn1c(COc2ccccc2F)nnc1Sc1ncnc2sccc12 12782562 XMFVCDNWKHNAEM-UHFFFAOYSA-N 399.476 4.338 30 40 GIEB CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)cc1 13116092 BZDUATOWXATDSF-LPYMAVHISA-N 378.384 4.194 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960112 JOTONHVMDUSERY-AUUYWEPGSA-N 392.484 4.317 30 40 GIEB N#CC1(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)CCCC1 22830071 AFVCPZKESDCMHE-UHFFFAOYSA-N 388.895 4.038 30 40 GIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2c1C 24825360 BYONEOVAIDECTR-BQYQJAHWSA-N 382.397 4.196 30 40 GIEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 32891716 VXFFLUZRZVTAGI-UHFFFAOYSA-N 394.522 4.283 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2(C#N)CCCCCC2)n1 32906937 UXZIMRCODUXKNE-UHFFFAOYSA-N 396.438 4.105 30 40 GIEB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCOCC2)cc1 225773962 JBPYTVSHUAECGZ-UHFFFAOYSA-N 378.472 4.341 30 40 GIEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)c1 408654249 KGYRHMGUERUWFP-OEAKJJBVSA-N 388.427 4.456 30 40 GIEB N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100144 GTXMDJOXTUHFCC-DEOSSOPVSA-N 391.490 4.358 30 40 GIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C#N 4725719 FNOYIJXKQMMUTB-SSDVNMTOSA-N 391.387 4.022 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3C)nc2c1 4849197 JIARWFCPYNBNFB-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB N#Cc1ccc(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)nc1 12740352 GERMCMZFPABPKY-UHFFFAOYSA-N 390.859 4.401 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)SC1=S 13880984 MTIAVGJDWUUACF-YBEGLDIGSA-N 385.466 4.340 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 14095401 ZCJSLURACNVHER-JOCHJYFZSA-N 385.467 4.385 30 40 GIEB CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NC[C@@H]3CCCO3)c2CO1 20590396 ZIQQKKUPPBUXJO-INIZCTEOSA-N 378.476 4.139 30 40 GIEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21721941 APOLPDHNHHMFCH-HSZRJFAPSA-N 393.487 4.032 30 40 GIEB C=CCOC(=O)c1ccc2nc(-c3cncc(Br)c3)sc2c1 73635248 GNUXOQOPOUIORT-UHFFFAOYSA-N 375.247 4.464 30 40 GIEB N#CCCn1ccc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)n1 97164710 UFAUJGNCTCSBGL-OAQYLSRUSA-N 385.471 4.171 30 40 GIEB COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC#N 97990634 FYFMKHHAMKHCRJ-XDHOZWIPSA-N 393.468 4.297 30 40 GIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc(C)c1 100510732 AZSUBMZRCDHZOD-PTGBLXJZSA-N 375.457 4.309 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1 225751598 NHOLDGJSIDSXOK-VQOQZMAISA-N 398.528 4.232 30 40 GIEB COC(=O)c1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1 408722621 MJGLJLNSURMSGV-UFFVCSGVSA-N 380.425 4.248 30 40 GIEB CC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 986132 IEFIFFRIMIMMJH-UHFFFAOYSA-N 379.379 4.159 30 40 GIEB N#CCn1c(COc2ccccc2C#N)nc2scc(-c3ccccc3)c2c1=O 5216038 YKLCFAKOCVIKJH-UHFFFAOYSA-N 398.447 4.099 30 40 GIEB CCN(CC)CCO/N=C1\C[C@@H](c2ccc(OC)c(OC)c2)Oc2ccccc21 5567612 OZKALSSMVORYTB-FRSADPSXSA-N 398.503 4.290 30 40 GIEB Clc1ccc(N/N=C/Cc2nnnn2-c2ccc(Cl)c(Cl)c2)cc1 5944835 COTRNMTZBFUEPT-UFWORHAWSA-N 381.654 4.263 30 40 GIEB CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccccc1N(C(=O)CS)[C@@H]2c1ccco1 13611948 IQKJLPLQZHVKRW-PNHOKKKMSA-N 384.501 4.083 30 40 GIEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)c1OC(F)F 16404562 YOVOXYLWPVFRKU-SOFGYWHQSA-N 376.355 4.354 30 40 GIEB C=CCSc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 32883949 XKKBNBHKUZIXTB-UHFFFAOYSA-N 382.514 4.276 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]5(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 118936559 DQUBYFKUBFHVEG-BVMWHHSZSA-N 387.520 4.479 30 40 GIEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Br)cc1C 408583112 RRNOSQOZBULRRN-UHFFFAOYSA-N 389.249 4.289 30 40 GIEB C=CCc1cc(C=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408850373 MJGMKMREWLPXMO-UHFFFAOYSA-N 376.206 4.477 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N/c1ccc(F)cc1 409229938 AFAQSWBJTONLFZ-LBCNESNHSA-N 386.448 4.467 30 40 GIEB COc1ccc(C(=O)/C=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2385270 JJCYKEOJJHEJEN-MDZDMXLPSA-N 390.405 4.233 30 40 GIEB CCc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 5406146 XVOGQCXUDAIBGE-JOCHJYFZSA-N 376.481 4.467 30 40 GIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccco2)sc1C 5544664 IRTIIKODPOOIEY-INIZCTEOSA-N 380.425 4.136 30 40 GIEB C=CCn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC(C)C)csc21 32071697 DPJWGCKWSKSVNE-UHFFFAOYSA-N 378.501 4.081 30 40 GIEB CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)c(Cl)c1 95439125 VGKGLRIJPDVAMS-UHFFFAOYSA-N 391.254 4.232 30 40 GIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)o1 100447936 WIGCLGUACDFYSF-JOCHJYFZSA-N 392.455 4.203 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccccc2Cl)C(=O)N(c2ccccc2)C1=S 408729603 HGBKDWZBHRRRMY-DTQAZKPQSA-N 382.872 4.070 30 40 GIEB COc1cccc(/C=N/Nc2ccccc2C(=O)O)c1OCc1ccccc1 4372971 KMEAQBHSGBXERO-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB Cc1ccc(-c2ccc(/C=N\N=C3\NC(=O)[C@@H](Cc4ccccc4)S3)o2)cc1 4719567 NOCJOAFKKLQBQD-SPMKTWQFSA-N 389.480 4.419 30 40 GIEB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(CC(C)C)c1C 6586981 SVJRYEIZIWKXOM-UHFFFAOYSA-N 376.913 4.412 30 40 GIEB CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 8450003 SKYTZCGIAIQNAT-LPTDTENNSA-N 383.488 4.488 30 40 GIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 14122872 YDTIFKHTIWYUEF-UHFFFAOYSA-N 387.439 4.227 30 40 GIEB COc1ccc([C@@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1 27793567 BSQUTIMSZBSMMX-HXUWFJFHSA-N 376.460 4.245 30 40 GIEB CCOC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 41554197 ZBQFDKRNBKGXDD-AWEZNQCLSA-N 377.322 4.159 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C 59427959 IUHBXNPYJIVQHI-QNGOZBTKSA-N 389.451 4.124 30 40 GIEB CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1cccc(Cl)c1C#N 95443780 SPXQKDSVEAOPHN-AWEZNQCLSA-N 380.819 4.097 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1 101650801 BGPVMXFKAFLVCZ-VEGAHXMMSA-N 381.501 4.148 30 40 GIEB CCOC(=O)c1c(C)oc2c1/C(=C\NCc1cccnc1)C(=O)c1ccccc1-2 101696856 NEYULDNUTNPWIQ-QGOAFFKASA-N 388.423 4.154 30 40 GIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 102983920 APUBYPWWKNETJK-MPIKPGADSA-N 387.545 4.270 30 40 GIEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 143684590 SZVHAVGFUGPDDN-OEAKJJBVSA-N 381.501 4.055 30 40 GIEB C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1OC 218658574 OEMMAKCGTGCOIF-IBGZPJMESA-N 381.472 4.465 30 40 GIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(Cl)c1C 408561034 VWJQXQKVASUSFV-UHFFFAOYSA-N 378.929 4.499 30 40 GIEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 408616842 CHONHOJEVLUTRN-UHFFFAOYSA-N 388.272 4.368 30 40 GIEB C#CCOc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc23)cc1 2196429 HXBNSGAPOUZQFR-UHFFFAOYSA-N 394.434 4.151 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C 4047995 UUGINFABZUJECB-UFFVCSGVSA-N 394.391 4.060 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC 4918925 HDZYEWCYSPHZKN-BEFAXECRSA-N 386.469 4.085 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 4934970 SKZAEPYYNKXXRD-DNVJHFABSA-N 381.447 4.224 30 40 GIEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5323844 QWERSAGBOIHMAR-VGOFRKELSA-N 386.455 4.093 30 40 GIEB C=CCN(C(=O)COc1ccccc1OC)c1nc(-c2ccccc2)cs1 6648209 AXTLXLMEJREBAK-UHFFFAOYSA-N 380.469 4.417 30 40 GIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 7712919 WJVQXLWZSCWUQE-ZHACJKMWSA-N 378.255 4.357 30 40 GIEB N#Cc1ccc(-c2ccc(Oc3ccc4nnc(C(F)(F)F)n4n3)cc2)cc1 12924352 YKUILLZVQVMGLM-UHFFFAOYSA-N 381.317 4.474 30 40 GIEB CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3OC)c2c1C 15170550 FRVHCCAAXGNZIM-UHFFFAOYSA-N 383.429 4.157 30 40 GIEB COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc2ccccc2)cc1 100309228 DZOYBSMNPXWAPV-PCLIKHOPSA-N 398.466 4.374 30 40 GIEB CCc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102534123 WFCBCPVWYICAIC-SELCWUDQSA-N 394.452 4.233 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2C#N)cc1 103644243 HNBAVBOQNCQESS-HZHRSRAPSA-N 375.453 4.418 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)c1 408891844 CPPWHTCTTKZOGK-ZHZULCJRSA-N 393.414 4.268 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)S2)c(C)c1 409000001 WNWBPSSEGPQLLS-WQRHYEAKSA-N 396.472 4.169 30 40 GIEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(Cl)c(Cl)c2)c1 1084552 ZFJUAJZQHUSXQT-DJKKODMXSA-N 382.272 4.101 30 40 GIEB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1C#N 1096336 XURYWNONERTHRL-UHFFFAOYSA-N 381.155 4.358 30 40 GIEB CCN(CC)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 3232086 LKUBQWBFHODECC-YDZHTSKRSA-N 380.517 4.065 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1-c1ccccc1 4285664 RPDQOTBOZFKDSK-AWEZNQCLSA-N 382.464 4.390 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4[nH]3)c2C#N)C1 4334917 FKQROFOMZRFHRF-NSHDSACASA-N 382.514 4.352 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)CSc2ncnc3c2oc2ccccc23)n1 6610304 RHYYIFFRUYPJNK-LBPRGKRZSA-N 380.454 4.110 30 40 GIEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccnc3)c(=O)oc2c1 6624209 QGGYQYYHQGCRBZ-UHFFFAOYSA-N 378.428 4.023 30 40 GIEB biogenic C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C 7784331 IMYXUXANNJUGNY-UHFFFAOYSA-N 398.507 4.353 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 9015081 LIMBECAKVCJGCW-FQEVSTJZSA-N 395.455 4.088 30 40 GIEB C/C(=N\OCC(=O)Nc1ccc(C)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 12814493 QWDWCQXTJQLVEH-WYMPLXKRSA-N 394.349 4.122 30 40 GIEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1c(Cl)cccc1Cl 13071101 QFUCACBLNVCTIF-DHDCSXOGSA-N 388.316 4.404 30 40 GIEB C[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 18197834 JWQSGGTTYCELGG-STQMWFEESA-N 377.469 4.157 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccsc1)n1nc(SCc3cccnc3)nc1N2 18200065 YQRLRBHWWZFZIE-KRWDZBQOSA-N 395.513 4.049 30 40 GIEB CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccc(C)cc3C)NC1=O)OCO2 18254916 SKQSZSZKGYKLAB-DJKKODMXSA-N 396.468 4.322 30 40 GIEB CC(C)C(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1cc([N+](=O)[O-])ccc1O 22611839 RNWGRURRFRNCGO-NOWCAHNLSA-N 384.421 4.497 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611355 QTDVXYJVJVWGSM-DJKKODMXSA-N 376.869 4.145 30 40 GIEB Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 38653663 IHMGBHMFPZASIB-UHFFFAOYSA-N 388.446 4.409 30 40 GIEB C=CCn1c(SCc2cn3ccccc3c2C#N)nc2sccc2c1=O 58370823 YYOIGMPDWHJJCX-UHFFFAOYSA-N 378.482 4.061 30 40 GIEB C#Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 72277981 HBEFDUFOFYDXCU-LJQANCHMSA-N 385.870 4.247 30 40 GIEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102927067 JUYWBZVJRYHARF-WOOAAIBNSA-N 377.371 4.041 30 40 GIEB Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 1255075 SIALNCCVAMHIOK-PPAWOMOGSA-N 392.311 4.466 30 40 GIEB COc1cc(Br)cc(/C=N/c2ccc3c(c2)OC(F)(F)O3)c1O 1437243 JYKAILMUDXGWJK-FBCYGCLPSA-N 386.148 4.235 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 2055336 UTVYOTWQVUBCAE-FQEVSTJZSA-N 381.472 4.028 30 40 GIEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)o1 4150297 KNGDQRUTUHXWTQ-MRXNPFEDSA-N 399.516 4.372 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)s1 4189531 KNMKUACJGXILQD-WOVYWWTOSA-N 382.485 4.287 30 40 GIEB CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)nc(SC)c1C#N 16682863 NIQCODLFASGMNY-UHFFFAOYSA-N 379.894 4.046 30 40 GIEB C=CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 23688556 OIACTBJZYSVGRT-UHFFFAOYSA-N 398.488 4.337 30 40 GIEB C=CCn1c(SCC(=O)O)nnc1[C@@H](C)Oc1ccc(-c2ccccc2)cc1 26468975 BBVLYJZPBAKGSI-OAHLLOKOSA-N 395.484 4.448 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(CC2CC2)C1 72391179 ZBRUUQACIUFAGJ-VWLOTQADSA-N 389.543 4.086 30 40 GIEB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N 225769726 XZRBFPHCBPDTGV-UHFFFAOYSA-N 378.472 4.424 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1 409066292 HXANJSVWQRREIT-ZVBGSRNCSA-N 387.758 4.416 30 40 GIEB COc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 4188573 MTGKBTYPOAGPJD-YBFXNURJSA-N 382.332 4.218 30 40 GIEB Cc1ccc(S(=O)(=O)[C@@]2(C#N)Cc3ccccc3N(C)C23CCCCC3)cc1 7778756 AZGXYCPUXGIPBL-HSZRJFAPSA-N 394.540 4.427 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2)cc1 12390007 PWVOBNSEFYTWPE-MGPUTAFESA-N 388.427 4.058 30 40 GIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1cccc(OC)c1 17078003 YIFYXCZCCXSFAM-UHFFFAOYSA-N 381.501 4.364 30 40 GIEB O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ccc(F)cc21 78992864 BSTMBSILGMBUGX-SFHVURJKSA-N 376.353 4.183 30 40 GIEB CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102622052 FDZIZJWPHNBTAW-LVNJIZSUSA-N 383.488 4.488 30 40 GIEB O=C(O)c1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 409107790 QPUGODPEEBXCOT-UBKPWBPPSA-N 399.584 4.165 30 40 GIEB COc1ccc(Br)cc1/C=N\c1ccc(N2CCOCC2)cc1 910404 GMAWWAUUHPVOJW-MOSHPQCFSA-N 375.266 4.045 30 40 GIEB Cc1ccc[n+](/C(C(=O)c2ccccc2Cl)=C(/S)NCc2ccco2)c1 3286018 QQPMOGWXVMTEHM-UHFFFAOYSA-O 385.896 4.258 30 40 GIEB N#CCCn1cc(/C=C2\SC(=S)NC2=O)c(-c2cccc3ccccc23)n1 3308078 MDOHROIEBCKRGD-BOPFTXTBSA-N 390.493 4.106 30 40 GIEB COc1ccc(-n2c(NN=C(C)C)nc3sc4c(c3c2=O)CCCC4)cc1 4837267 KQYIQOZNMFWHOX-UHFFFAOYSA-N 382.489 4.142 30 40 GIEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NC(=O)NC1CCCCC1 6409171 DPSSRSOWZWQRMY-MRXNPFEDSA-N 391.471 4.151 30 40 GIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OCC)c1 12111605 IXLXNCNOEVMJKE-FQEVSTJZSA-N 375.424 4.231 30 40 GIEB NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3nc3cc(Cl)ccc23)cc1 17175429 UXLSRSARRWXRDG-FSJBWODESA-N 395.871 4.439 30 40 GIEB C=CCOC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)OCC=C)cc3[nH]c2c1 22052155 HPEVEHIOZFNEGW-UHFFFAOYSA-N 393.399 4.150 30 40 GIEB in-vitro C=CCn1c(C)nnc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 32945568 MBWAQIWDZDEKBV-UHFFFAOYSA-N 392.528 4.113 30 40 GIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(Cl)c1)OCO3 35310935 SARGSPFBGQNZGX-UHFFFAOYSA-N 397.843 4.219 30 40 GIEB N#CCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 40114895 OWUMSXNJUWXWCA-HNNXBMFYSA-N 392.484 4.054 30 40 GIEB COc1cc(C#N)ccc1OCCCC(=O)N(C)C1C2CC3CC(C2)CC1C3 40133218 TUSMAXXGCDOGRR-UHFFFAOYSA-N 382.504 4.009 30 40 GIEB C/C(=N/NC(=S)Nc1ccccc1)c1cc(Br)c([N+](=O)[O-])s1 72433959 RNRXFNAFRCAHQI-PXNMLYILSA-N 399.295 4.129 30 40 GIEB O=C(COc1ccccc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 409039288 CGVRIRBKHGBSNJ-HYARGMPZSA-N 375.384 4.363 30 40 GIEB CCOc1ccc2cc(/C=N/n3c(C)nc4ccccc4c3=O)c(Cl)nc2c1 2344853 HYMLXZLNQXUSBZ-FSJBWODESA-N 392.846 4.187 30 40 GIEB C#CCn1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c2ccccc21 8742554 NJEUVSJRFLKFJZ-MOSHPQCFSA-N 397.434 4.398 30 40 GIEB CN(C)c1ccc(/C=C\C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 16922660 TXOBEVDYMLFYEO-WYMPWBNCSA-N 382.577 4.185 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(C)cc1 97104877 XUMUYVDUDPOPLK-GGAORHGYSA-N 377.484 4.380 30 40 GIEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 409187595 SGHWMQVGZGAUIU-FBHDLOMBSA-N 375.808 4.119 30 40 GIEB COc1cccc(/C=N/Nc2ccccc2)c1OCc1ccc(C(=O)O)cc1 409189940 NYHPROBQXSLARY-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB C=C1OC(=O)C=C(OC)[C@@]12[C@H](CCC)c1c(OC)cc(=O)oc1C[C@H]2CCC 1772591632 IWWMEIAQPIOWDB-HLFMIMNKSA-N 388.460 4.092 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(CCc2ccccc2)c1C 3323355 XMLLQKADKDFKLE-UHFFFAOYSA-N 388.467 4.490 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 4492919 FVYFVSYZSSWCND-UHFFFAOYSA-N 386.408 4.000 30 40 GIEB Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 4504567 ZEBDVMHJHPXCSV-UHFFFAOYSA-N 376.387 4.145 30 40 GIEB COc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1Br 6830139 MSMITGQQFCMOAG-HKWRFOASSA-N 392.249 4.082 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O 6899167 KBRAOLUICKMLGD-ZDUSSCGKSA-N 399.903 4.355 30 40 GIEB C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1cc2ccccc2o1 10478808 ATFCEVNDBYKKEQ-UHFFFAOYSA-N 396.516 4.228 30 40 GIEB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 12533329 YMDAJHZBDIWIPH-IAGOWNOFSA-N 383.517 4.122 30 40 GIEB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)c1 19927528 BZVMVYJZOUSRMK-UHFFFAOYSA-N 383.864 4.036 30 40 GIEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 20637406 HNRNCVBODQUYOF-KNQAVFIVSA-N 394.434 4.297 30 40 GIEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCC 103028364 FBDHWBRGKZJNCB-UNEBPCJRSA-N 375.538 4.224 30 40 GIEB CCN(CC)c1ccc(/C=N\c2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1 104353770 LSLDWGDPIWFLRH-HMAPJEAMSA-N 398.484 4.389 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1 226361945 JQKPCPSPWHXJNN-UHFFFAOYSA-N 387.351 4.378 30 40 GIEB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 248173960 UORBWZZLNHSZFQ-NUEKZKHPSA-N 386.517 4.361 30 40 GIEB C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C#N)c1ccc(OCc2cccnc2)cc1 596134110 DKWPCXKKYDAYCZ-NBHGPNQESA-N 378.476 4.103 30 40 GIEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1ccccc1 3193548 JIJWSVYFKPEKDF-UHFFFAOYSA-N 395.915 4.218 30 40 GIEB CCCC(=O)C1=C(c2ccc(CC)cc2)N(C(=O)CCC)n2c(C)nnc2S1 4518240 YWKCCXRXBNOBRL-UHFFFAOYSA-N 398.532 4.257 30 40 GIEB C=CCn1c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c2nc3ccccc3nc21 5500233 GYJQRGBWOXNICC-HNNXBMFYSA-N 379.508 4.297 30 40 GIEB O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1Cl 6059720 KDIAVEZHVTYOOR-VYXQJKENSA-N 378.284 4.158 30 40 GIEB N#Cc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 10022960 ILBPKUBKHSWXJI-UHFFFAOYSA-N 396.490 4.347 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 19798643 SVGAPJSSFZVHQU-JTSKRJEESA-N 391.442 4.360 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 19959951 ZEWGGEKHVIAYLJ-XOBRGWDASA-N 392.484 4.317 30 40 GIEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 22323140 WYSKXDKNWSJCBO-CAUYNWHBSA-N 393.443 4.009 30 40 GIEB CC(C)(C)C(=O)N1CCC(=NOCc2csc(-c3cccs3)n2)CC1 63455504 UNNIIAXTUYXYFU-UHFFFAOYSA-N 377.535 4.413 30 40 GIEB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)cc1 195750411 CRMQKQJFPQEJBX-RCCKNPSSSA-N 399.402 4.259 30 40 GIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648083 VWYHBDHRRQAIOG-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 408743342 SEEOKYJATKGALE-YDZHTSKRSA-N 376.412 4.330 30 40 GIEB Cc1ccc(Cl)cc1/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408853762 RJODYOYYDIWBIO-CFRMEGHHSA-N 395.890 4.213 30 40 GIEB Cc1cc(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2cccc(Cl)c2)n1 2291461 ZSDHDNBTEDLDMS-UHFFFAOYSA-N 379.851 4.276 30 40 GIEB Cc1nn(CCO)c(C)c1Sc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1 3220752 QZXMZNWMTKXRFX-FYJGNVAPSA-N 396.472 4.302 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccccc1 4285425 FIZBTQPEOYXTRY-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 4406215 MEQRVCMWCLVXAP-QXJJSNKBSA-N 398.409 4.196 30 40 GIEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)/C=C/c1ccc(OCC#N)cc1 9799162 ULKYVIAOJDMQRK-ONOODXEBSA-N 388.423 4.207 30 40 GIEB N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 22409873 WRLCVRPMYGMSCT-VWLOTQADSA-N 393.446 4.119 30 40 GIEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(C)cc2C)cc1 33931773 FEVYXGUIFIEGRU-QPHQQSIVSA-N 381.501 4.166 30 40 GIEB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OCC#N 36612805 MZEOKPLZJKRTAF-UHFFFAOYSA-N 389.293 4.082 30 40 GIEB CCOc1cc(/C=N\N=C(/S)Nc2ccccc2)cc(Br)c1O 55406204 DEDOSAQQUQRONZ-ZDLGFXPLSA-N 394.294 4.285 30 40 GIEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(Br)cc1 224724604 UDJOMVMHAQOLMV-UHFFFAOYSA-N 380.307 4.393 30 40 GIEB CCCCOC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2740819 NIYMNLUOWPKNOO-UHFFFAOYSA-N 389.267 4.415 30 40 GIEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1ccc(Cl)c([N+](=O)[O-])c1 3241316 CRXJJGQTSKIAQC-KPSZGOFPSA-N 397.605 4.330 30 40 GIEB C/N=C1/S/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)C(=O)N1C 4680543 WTYITEYMVJJKFK-NXCZOFCGSA-N 382.485 4.115 30 40 GIEB C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)o1 9764078 QIZWNDHSUBAXSZ-UHFFFAOYSA-N 397.456 4.284 30 40 GIEB CCCCc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2cccnc2)cc1 17080426 WLDZEQOAATXHEM-GYHWCHFESA-N 393.512 4.155 30 40 GIEB Cc1nc(C)c2c(C)c(C(=O)NCCSCc3ccccc3C#N)sc2n1 36391399 GODOUDVYSVNJGX-UHFFFAOYSA-N 396.541 4.151 30 40 GIEB COc1ccccc1CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCO1 40105834 UYJUIDHUTPTSKB-FQEVSTJZSA-N 375.472 4.001 30 40 GIEB C=CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 224641168 LEPCOLPUBLJKFT-PGMHBOJBSA-N 388.423 4.254 30 40 GIEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408872805 JAPGGOMKWHDUQZ-FSJBWODESA-N 393.491 4.462 30 40 GIEB C=CCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978397 ZJVPXFFASRCCOV-UHFFFAOYSA-N 396.479 4.352 30 40 GIEB COc1ccc(CCNc2oc(COc3ccc(C)cc3)nc2C#N)cc1OC 794745 RRNXQXVTXIHKQG-UHFFFAOYSA-N 393.443 4.106 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccc2c(c1)OCO2 2105025 JAUBWJQZRNJKFD-FBHDLOMBSA-N 386.359 4.251 30 40 GIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 2201149 MAJHJPAVDGPNSF-QAPCUYQASA-N 389.245 4.361 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N/c1ccccc1 4680237 FSPVCCPYBPPREJ-KFBYJWCXSA-N 383.429 4.227 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4945097 PFZIKKVOVIDYFJ-DJJJIMSYSA-N 380.835 4.249 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccccc1F 4957281 FCSYQWGZENCTIX-GOTYSUTNSA-N 399.491 4.423 30 40 GIEB C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)OC(C)=O 5458992 CFUPNMDNSQIWBB-AKVDLGGSSA-N 390.520 4.260 30 40 GIEB in-man C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 5826387 PFJXGGHDVWNGML-MTJSOVHGSA-N 397.459 4.231 30 40 GIEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 6909867 SNVCCFWDTHJBMO-QWRGUYRKSA-N 399.347 4.437 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 12538891 GHYAILRZPMTLJD-DEOSSOPVSA-N 398.462 4.292 30 40 GIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 13511454 JMKJZHKMDUEINT-KMDXXIMOSA-N 377.484 4.394 30 40 GIEB CCCCCCCn1c(SCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 53290205 XXLYORWUXMOKKU-UHFFFAOYSA-N 380.558 4.066 30 40 GIEB Brc1cc(/C=N/c2ccc3ncccc3c2)oc1N1CCOCC1 59250414 KCQGJVFJIKCTBQ-CIAFOILYSA-N 386.249 4.178 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N/C1CCCCCC1 103459130 SWKCBMPQBRLMNF-QCLNCQLRSA-N 387.549 4.366 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cn1 105543402 BDYWLFLGYFNMAY-VMHMFBFXSA-N 376.504 4.457 30 40 GIEB CCCCCCCc1c(C)[nH]n(-c2nnc3c4ccccc4n(CC)c3n2)c1=O 136240464 BURLABITCCORBU-UHFFFAOYSA-N 392.507 4.300 30 40 GIEB COc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 408761946 IBRLGJDQQYZUBU-VCBZYWHSSA-N 392.371 4.210 30 40 GIEB COC(=O)c1ccc(C)c(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)c1 409106632 OIYALDHJPVJEJF-OEAKJJBVSA-N 382.460 4.150 30 40 GIEB CN(C)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(O)c1 409283341 QQAGYAKOQWOVPC-UHFFFAOYSA-N 390.487 4.098 30 40 GIEB COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC 719405 VSQSJGZSFWKMMU-ZVBGSRNCSA-N 397.481 4.086 30 40 GIEB CC(=O)c1cccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1 986133 KADCVZKEQVOYKE-UHFFFAOYSA-N 379.379 4.159 30 40 GIEB O=c1c2[nH]c3ccc(F)cc3c2ncn1/N=C/c1ccc(Cl)cc1Cl 2247576 NJTNQUVZVXEUNQ-QPJQQBGISA-N 375.190 4.206 30 40 GIEB FC(F)(F)c1cccc(OCCO/N=C/Nc2ncnc3sccc23)c1 4013857 LYEMIVKBOHTDGN-UHFFFAOYSA-N 382.367 4.161 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OC)S2)cc1 6869816 WMTGGTLDCSIFMA-RGEXLXHISA-N 381.501 4.433 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1F 9095785 BQUPUSXGFKDFDW-UHFFFAOYSA-N 378.432 4.117 30 40 GIEB CSc1nncn1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611409 DZYPAIPMQARKLT-FBCYGCLPSA-N 383.260 4.361 30 40 GIEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1[N+](=O)[O-] 38194818 SAYTVXGLRLZBBT-FBHDLOMBSA-N 394.391 4.060 30 40 GIEB Cc1ccc2c(c1)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)N2C1CSC1 223721904 YNFOCZHWIDHVKQ-ULJHMMPZSA-N 391.418 4.292 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 2055501 VZSREQDJJQVHBC-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB Cc1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Br 3398417 DHDJROAJSNFSDN-UHFFFAOYSA-N 378.657 4.333 30 40 GIEB O=S(=O)(c1ccc(Cl)c(/N=C/c2cccc(O)c2)c1)N1CCCCCC1 4964468 CCFCRRZQAUBGOL-KGENOOAVSA-N 392.908 4.361 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 5346959 BIRZTGNSDHQSRW-UHFFFAOYSA-N 381.229 4.491 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1F 6381916 TUTYOWJQPQCWMN-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB N#Cc1ccc(SCCSc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 6862860 HQRRVGMNLSBCIB-UHFFFAOYSA-N 386.414 4.131 30 40 GIEB CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 8727745 RWSULLKCWANCTK-UHFFFAOYSA-N 379.938 4.284 30 40 GIEB CCCC/N=C1\S[C@H](CC(=O)Nc2cccc(C)c2)C(=O)N1CCCC 17085128 FMRKITCNFPTLFO-QBEKEKFNSA-N 375.538 4.224 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 18196224 UEWAUZKCVZNTKH-KZULUSFZSA-N 382.876 4.409 30 40 GIEB Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2ccccc2)n1 23055104 IVGCHPSHYOKFBS-UHFFFAOYSA-N 388.496 4.291 30 40 GIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@@H]1C)N(C)CC3)OCO2 33348730 FKYITSOBJSHMDA-FYLSXWEHSA-N 397.515 4.461 30 40 GIEB CC[C@@H](/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 48514002 MHTGTBPPMXKGGK-OAHLLOKOSA-N 396.390 4.416 30 40 GIEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(Cl)cc2)cc1 51366791 BGRCECIZYYXUSQ-PBTUDLSPSA-N 387.892 4.203 30 40 GIEB CC(C)C(=O)C1=C(O)C(=O)N(c2cc(F)cc(F)c2)[C@@H]1c1ccccc1F 58306411 VUVIOVFAMWHCMA-QGZVFWFLSA-N 375.346 4.229 30 40 GIEB CC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2Br)o1 85346732 FRPYWISZNYFBEM-FRKPEAEDSA-N 387.027 4.369 30 40 GIEB Cc1ccn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)c1C#N 95972094 QFJVSZVQCBNJGF-UHFFFAOYSA-N 375.375 4.219 30 40 GIEB O=C(c1ccccc1)N1C(=S)NC(=N/c2ccccc2)/C1=N\c1ccccc1 102978479 GLYOZFTXIJVGAC-HIXSDJFHSA-N 384.464 4.477 30 40 GIEB O=[N+]([O-])c1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 253617010 UWDNFNLEWLBWJO-UHFFFAOYSA-N 398.466 4.316 30 40 GIEB C=CCN(CC=C)C(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 409001824 WVJBUOPZPZTBOI-UHFFFAOYSA-N 394.500 4.171 30 40 GIEB CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)SC1=S 409005043 CYHRAOWEVVNXGV-WQRHYEAKSA-N 380.494 4.358 30 40 GIEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409310607 BHZRQYDIOCSJQZ-RQZCQDPDSA-N 382.828 4.131 30 40 GIEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O 916029 KQENFSNYGAATBS-UHFFFAOYSA-N 381.472 4.224 30 40 GIEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl 2267069 AHHIRNSMRRXJDE-HNNXBMFYSA-N 396.270 4.094 30 40 GIEB N#CCCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3303649 DKHLBGRZVKDRBB-UHFFFAOYSA-N 384.435 4.457 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1C1CCCCC1 3313751 IGWYFVFZTVMIGF-UHFFFAOYSA-N 386.521 4.251 30 40 GIEB CC(C)C(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 15406253 XIDQPAKMLKTGOC-QURGRASLSA-N 380.517 4.220 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OCC)c1 19923515 SWXHWRUUXYKZOL-QRWLVFNGSA-N 389.492 4.292 30 40 GIEB N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 71843992 YKCXERGUPYYVBO-SOUVJXGZSA-N 388.393 4.003 30 40 GIEB CCOCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 100372407 BDXYXLGXDXVEBB-KLPPEWMLSA-N 398.484 4.041 30 40 GIEB O=C(Cn1cc(/C=N/c2ccc(F)c(Cl)c2)c2ccccc21)N1CCOCC1 408960342 FCOVOVLKUYDVEJ-WYMPLXKRSA-N 399.853 4.043 30 40 GIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 2210231 OWTWODOCDKOCGS-RORPNGENSA-N 384.432 4.236 30 40 GIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2349326 OCDZWPDUVYZMRZ-UHFFFAOYSA-N 395.466 4.091 30 40 GIEB C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CN=C(c1ccccc1)c1ccccc1 4293510 FNLXNTNKIRDGKM-CLOONOSVSA-N 386.495 4.105 30 40 GIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1OC 4918618 RPXJXVSRNFJRSB-RXVVDRJESA-N 398.430 4.162 30 40 GIEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 4993245 DQWCDZAMVHJHKI-QFIPXVFZSA-N 388.467 4.307 30 40 GIEB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1C 7575923 PSQUQTFRWLEGOD-VWLOTQADSA-N 395.462 4.171 30 40 GIEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 9482732 JAKYSIQWDIZSMO-QHCPKHFHSA-N 390.483 4.476 30 40 GIEB N#CCCN(CCC#N)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 12552970 RGJVGXJZZWJCJK-UHFFFAOYSA-N 394.529 4.219 30 40 GIEB Cc1ccc(CN2CCN(/N=C/c3ccc(Br)s3)CC2)c(C)c1 19791058 RUMOQAVYOVHGJS-UDWIEESQSA-N 392.366 4.279 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 20059207 YUYNCILUEXAJJP-ZSEKCTLFSA-N 393.512 4.304 30 40 GIEB Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2cccc(Br)c2)n1 36390786 YGSZQBQEVYJGEF-UHFFFAOYSA-N 381.233 4.067 30 40 GIEB Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccccc3)c3ccccc3n1)C(=O)N2 46085379 PVUJXKNRBHDOFJ-UHFFFAOYSA-N 379.423 4.374 30 40 GIEB CCCCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 53307385 NSUWZZIRNNABPA-OAHLLOKOSA-N 394.585 4.455 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)sc1C 102883255 LXJOCHOZQHNLRJ-GHNGSUTGSA-N 390.464 4.386 30 40 GIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224601413 AJGJMDUGJMEZKG-UHFFFAOYSA-N 385.407 4.485 30 40 GIEB Cc1ccc(NC(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 225860626 JCHKPPRAZGCSDY-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB O=C[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccc(OCc2ccccc2)cc1 1236718 PJVCFMWHRGYLTG-WBVHZDCISA-N 383.494 4.068 30 40 GIEB CCNC(=S)N/N=C/c1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1 4599900 DRWKDGAYRSIJQD-LFVJCYFKSA-N 399.560 4.260 30 40 GIEB COc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1O 12467072 BYKIBMZSNQDEBY-YZSQISJMSA-N 399.494 4.122 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 17179923 LSFZLAJGCVXMTI-KRWDZBQOSA-N 394.452 4.444 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2OC)c(O)c1 18158054 XMZIKJSSUQHDSS-UHFFFAOYSA-N 393.443 4.496 30 40 GIEB biogenic N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccc(Br)cc2)nc1N 19832473 CJNZMIFVPVRVPX-UHFFFAOYSA-N 394.228 4.361 30 40 GIEB C=CCn1c(SCc2noc(C)n2)nc2scc(-c3ccccc3)c2c1=O 24829754 DOJZXDUMXPMFKU-UHFFFAOYSA-N 396.497 4.295 30 40 GIEB C#CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1Cl 107591524 DXKZWOAKLXEBEU-QGZVFWFLSA-N 388.876 4.120 30 40 GIEB O=C(O)c1cc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)ccc1Cl 409073447 NDCDVPMNTSDSHQ-FMQZQXMHSA-N 399.584 4.165 30 40 GIEB CCOc1ccc(/C=N/OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3341218 JCFQVDWSMNUHEJ-KOEQRZSOSA-N 388.467 4.342 30 40 GIEB C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1ccccc1 4735902 ZOHDCCQUUMINSC-UHFFFAOYSA-N 395.484 4.027 30 40 GIEB COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1OCCc1ccccc1 16196242 LQSRJGGHSXSCHD-BUVRLJJBSA-N 387.439 4.237 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 17179922 LSFZLAJGCVXMTI-QGZVFWFLSA-N 394.452 4.444 30 40 GIEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 18200486 SLLZVCKPFGWBJV-NRFANRHFSA-N 378.472 4.334 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1 28629517 BGASFAIZMOQRHH-FQEVSTJZSA-N 384.435 4.481 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 78549931 LQFXQCBQMXECKJ-HXUWFJFHSA-N 397.446 4.219 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)no1 102870724 LSQCOZOMINSSJH-HVESIFNPSA-N 398.802 4.164 30 40 GIEB C/N=c1/scc(-c2ccccc2OC)n1/N=C/c1c(O)ccc2ccccc12 103833425 DTFLEESBBDSEEG-HFRUQXEGSA-N 389.480 4.497 30 40 GIEB CC(C)c1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 169137835 PDQKJGQJKXIBHI-MFKUBSTISA-N 389.499 4.374 30 40 GIEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408807955 PJBLTEOUZNNRGH-MYYYXRDXSA-N 388.467 4.449 30 40 GIEB C#CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 408931392 LARBGROZQUYVFO-PXLXIMEGSA-N 399.288 4.048 30 40 GIEB COc1ccc2oc(=O)c(-c3csc(/N=C/c4ccccc4O)n3)cc2c1 1192447 YTXHUUVFRIKDJR-UFFVCSGVSA-N 378.409 4.381 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1C1CCCCC1 3344416 KNGANFKKXAJRIK-UHFFFAOYSA-N 391.928 4.291 30 40 GIEB Cc1cc(N/N=C/c2ccc(Br)cc2)c2cc3c(cc2n1)OCO3 5552535 PIPSBAMIIZHODF-AWQFTUOYSA-N 384.233 4.480 30 40 GIEB CCn1c(SCc2ccccc2C#N)nnc1-c1cc(OC)cc(OC)c1 7604768 LLGJZLOTMMIEQN-UHFFFAOYSA-N 380.473 4.146 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12938306 LWOKLIDTQSJCER-HNNXBMFYSA-N 391.496 4.341 30 40 GIEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc(I)cc1 14166378 NJILAHIHBFWZSM-WOJGMQOQSA-N 395.269 4.002 30 40 GIEB O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2-c2ccccc21 16952551 JHMDQHCULIUOPA-QOCHGBHMSA-N 388.339 4.183 30 40 GIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccccc1C 18116183 WSAYWRVGEMMYTB-PTGBLXJZSA-N 375.457 4.309 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2c1 35292201 DDAIKVLNHXAIPP-UHFFFAOYSA-N 381.432 4.375 30 40 GIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1 225829310 XXVXWZZIKORLLJ-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB COc1ccc(Br)cc1/C=N/c1sc2c(c1C(N)=O)CCCC2 408720789 ZMWJTHZJEAJNKB-AWQFTUOYSA-N 393.306 4.248 30 40 GIEB COc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1Cl 408852378 SYUUMKLUGUYCQW-VXLYETTFSA-N 399.672 4.291 30 40 GIEB FC(F)(F)COc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409034326 NGXJXSOPLHPNBP-MUDSWDHVSA-N 386.189 4.342 30 40 GIEB C=CCc1cc(/C=C2\SC(=S)N(CC=C)C2=O)cc(OCC)c1OC 409346822 LLASVDIJATVASS-VBKFSLOCSA-N 375.515 4.210 30 40 GIEB CN(C)c1ccc(C(=NOC(=O)c2ccccc2)c2ccc(N(C)C)cc2)cc1 1676450 CAXIEPQZSWQMFG-UHFFFAOYSA-N 387.483 4.428 30 40 GIEB C=CCSc1nnc2n(CC=C)c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 5047399 WRBMWHURFAXIMO-QFIPXVFZSA-N 392.528 4.246 30 40 GIEB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6605172 NWELPKNTAFCHIK-QGZVFWFLSA-N 384.435 4.338 30 40 GIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OCC)c1 12111606 IXLXNCNOEVMJKE-HXUWFJFHSA-N 375.424 4.231 30 40 GIEB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 13115891 XDNVIQLKTBRBGV-QGZVFWFLSA-N 380.451 4.447 30 40 GIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 20647852 STFQTDWPPDEYKE-CIAFOILYSA-N 376.456 4.342 30 40 GIEB N#Cc1ccc(CN2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1 22788344 LNLKJBQRLXXART-UHFFFAOYSA-N 380.542 4.061 30 40 GIEB C=CCc1ccccc1OC[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 28297112 XWBFUTJXHMMCPE-OAHLLOKOSA-N 376.378 4.224 30 40 GIEB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cn1 47333739 OJCDPXVYAMAGAM-UHFFFAOYSA-N 388.427 4.466 30 40 GIEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224969741 AFDXMDBMJNZOBF-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB CNC(=O)CC1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCCCC1 598386916 ULVZVBYRLZKGSG-UHFFFAOYSA-N 389.499 4.042 30 40 GIEB C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C)c3)nc21 801941 FFCAKBMJBYOGAZ-UHFFFAOYSA-N 389.484 4.205 30 40 GIEB N#Cc1c2nc3ccccc3nc2n2cc(NC(=O)c3ccc(F)cc3)ccc12 2236618 SGKCULACOSUZRC-UHFFFAOYSA-N 381.370 4.299 30 40 GIEB CN1/C(=C\C(=O)CSc2nnc(-c3ccco3)o2)C(C)(C)c2ccccc21 4828271 WBYWTANSPDHOEE-BOPFTXTBSA-N 381.457 4.302 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 4898770 WTXYTRDODISRJZ-YGHXBTADSA-N 381.501 4.329 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC 4918911 HDZYEWCYSPHZKN-KXBFYZLASA-N 386.469 4.085 30 40 GIEB COc1cc(C2CC(=O)C(=CNc3ccc(C)cc3)C(=O)C2)cc(OC)c1OC 5477695 KQJOBFWUQDTKFX-UHFFFAOYSA-N 395.455 4.032 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1F 6565401 CEPWZFWEFRSOTR-SFHVURJKSA-N 381.359 4.099 30 40 GIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1 8815989 UGEIOKUWOFYKQB-MLSMKVKPSA-N 381.501 4.202 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 9110775 CZCKFUYEVSYMMU-LJQANCHMSA-N 399.874 4.263 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccccc1Br 18166989 SUCNNOOTWMYRCM-MOSHPQCFSA-N 375.266 4.045 30 40 GIEB O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCc2ccccc2C1 20058295 MCMUOAIJBPDEJI-RWEWTDSWSA-N 385.442 4.309 30 40 GIEB N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@@H]2CCO)cc1 32913402 BEGTUQNXQNTRJZ-LJQANCHMSA-N 397.906 4.201 30 40 GIEB Cc1ccc2c(c1)/C(=N/Nc1nc3ccccc3nc1-c1ccccc1)C(=O)N2 58133905 SOUWYPVOCQJJDJ-UHFFFAOYSA-N 379.423 4.374 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](S)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S 118928824 MDYOCVRPFLWERO-SUZMPZLHSA-N 377.623 4.437 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1 408730178 FXOUCBDPVLDJQD-OAQYLSRUSA-N 399.406 4.243 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc3c(c2)OCO3)cc1 408960607 NESCESPDWBZBPN-FMCGGJTJSA-N 375.380 4.443 30 40 GIEB N#Cc1ccnc(OC[C@@H]2CCCN(Cc3csc(-c4ccccc4)n3)C2)c1 1775971934 ZEUCWYLRUGAXBJ-GOSISDBHSA-N 390.512 4.368 30 40 GIEB Cc1ccc(COc2cccc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2)cc1 657476 XSJZEHKLALGTQD-HZHRSRAPSA-N 394.496 4.195 30 40 GIEB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 820514 JHTCGWUJAVRISI-HXUWFJFHSA-N 383.488 4.251 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O 4385960 BEEVUFQCTZAWSK-LJQANCHMSA-N 389.499 4.234 30 40 GIEB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 6485671 OSTSJMMSXMVPMI-KRWDZBQOSA-N 392.455 4.367 30 40 GIEB C#CCOc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1OCC 6600497 SDVAZPNOHXAWEY-XIEYBQDHSA-N 376.500 4.181 30 40 GIEB Cc1ccc(C2=NN(C(=O)CNc3ccc(C#N)cc3)[C@H](c3ccco3)C2)cc1 15122524 KVXWZBNEHDHAGI-NRFANRHFSA-N 384.439 4.250 30 40 GIEB COc1cc(CCC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(OC)c1 40033971 GNMMOYLQZCKJEA-UHFFFAOYSA-N 378.472 4.060 30 40 GIEB CCc1cc(SCC(=O)N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N 3363794 NJJGQVWIZBQNRC-UHFFFAOYSA-N 392.528 4.272 30 40 GIEB CCc1cc(SCC(=O)N2CCCC[C@H]2C)n2c(nc3ccccc32)c1C#N 3526073 SUZALJSKXXVRPN-OAHLLOKOSA-N 392.528 4.415 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 4492827 HDCFFNYLOGGTSQ-ZDUSSCGKSA-N 382.445 4.250 30 40 GIEB COC(=O)/C(C#N)=N/C(=C\C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1 5549416 AWLYLESJISVDAJ-XGSVNPMVSA-N 385.467 4.477 30 40 GIEB CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(F)c2)C(=O)C1 5727711 DKNPAEPJJZCRKN-HXUWFJFHSA-N 384.447 4.280 30 40 GIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](C)Oc1ccccc1 6758070 SLEYFTHGBDSJAN-OAHLLOKOSA-N 397.862 4.372 30 40 GIEB C=CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(Cc1ccccc1)CC2 13116322 FEPLCODWFOEWGR-UHFFFAOYSA-N 387.531 4.100 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 18276139 PZPCVNRUPJPBCQ-FLFQWRMESA-N 399.410 4.122 30 40 GIEB N#Cc1ccc(C[S@](=O)CCOc2ccc(Cl)cc2Br)cc1 32801265 VXSHJCXEUMOEAO-QFIPXVFZSA-N 398.709 4.302 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1Br 59105828 ZSMDTKBLNZVYKB-NTEUORMPSA-N 377.238 4.480 30 40 GIEB C#CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC 408589268 DMQPYDSBXOKENK-CIAFOILYSA-N 388.807 4.210 30 40 GIEB C=C1C[N+]2(CCCCC2)Cc2c1oc1c(OC)c3occc3c(OC)c1c2=O 608188 ADITXIOZDFZRAT-UHFFFAOYSA-N 382.436 4.084 30 40 GIEB in-man CC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)[C@H]1c1ccccc1F 1076114 ZKSCLBARLUCSFZ-NRFANRHFSA-N 392.430 4.143 30 40 GIEB CC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 5434448 IOWFRTLFVZLMAW-NFWWSSJYSA-N 384.516 4.384 30 40 GIEB C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1(C#N)CCCCC1 6351646 RIQZJLQIBAOVLI-QGZVFWFLSA-N 392.455 4.367 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6720027 ORYQNXUXHRKLFS-IBGZPJMESA-N 394.427 4.282 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 9331924 ZRIJEZJWHILNFX-JLTOFOAXSA-N 394.837 4.486 30 40 GIEB Cc1noc(C)c1COc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 10865759 POGWKLXVNHDJHN-UHFFFAOYSA-N 380.375 4.238 30 40 GIEB CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cnc21 12779083 URRUWWCGQFUFCS-GFCCVEGCSA-N 379.489 4.322 30 40 GIEB C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(C)cc1 33654630 RUTDTTNPYHSMBD-UHFFFAOYSA-N 392.528 4.303 30 40 GIEB N/C(=N\OCCOc1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1 58159932 VIWJXFXTDDEESI-UHFFFAOYSA-N 397.862 4.030 30 40 GIEB O=C(NCc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944216 XFYMOUXRHRMJPG-UHFFFAOYSA-N 387.629 4.424 30 40 GIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(Cl)ccc3OC)C2=O)s1 135863620 GIJHBFPGKDFVET-YKWRUIJSSA-N 379.894 4.180 30 40 GIEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 225839397 RMQYWIVSOXSLLO-QGZVFWFLSA-N 397.544 4.136 30 40 GIEB C#CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OCC 409109601 IBHDXMRMYJOMBI-UHFFFAOYSA-N 390.277 4.481 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O 409148904 UGOKKMWOWKIDOH-CPNJWEJPSA-N 392.455 4.051 30 40 GIEB Cc1cccnc1CN1CCC(c2csc(Nc3cc(C#N)ccn3)n2)CC1 585294773 KBSSAOVMRAWZAB-UHFFFAOYSA-N 390.516 4.236 30 40 GIEB CN(C)c1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cc1 585295424 YYZYACGSCLFBDW-QHCPKHFHSA-N 398.514 4.495 30 40 GIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cccc(OC)c1O 5459888 UOGHFLKPKQQUCM-DHRITJCHSA-N 399.454 4.390 30 40 GIEB COc1ccc(CCNC(=O)c2ccccc2NCc2ccccc2C#N)cc1 11551293 XKAOOTMDUUVNKD-UHFFFAOYSA-N 385.467 4.151 30 40 GIEB CCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)NC1=O 12321475 GZZWLUZXBFEVRK-UBLKFNIESA-N 376.456 4.256 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 13142145 DIJKNMOLRVCFHV-VXNXHJTFSA-N 393.483 4.094 30 40 GIEB Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c2c(C)nn(Cc3ccccc3)c2n1 36616865 UMCFMTISLXYRDQ-UHFFFAOYSA-N 395.466 4.415 30 40 GIEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 59224274 LXZSMVCZJURMNJ-CHHVJCJISA-N 389.820 4.154 30 40 GIEB N#Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 4078849 OICNKPWXNGRERO-BJMVGYQFSA-N 376.397 4.242 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1 4160557 IKYMBGUSXUUJLY-UHFFFAOYSA-N 389.480 4.187 30 40 GIEB CCc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)cc1 6789707 OVSNINWQEJMSPT-UHFFFAOYSA-N 395.513 4.447 30 40 GIEB CC(=O)c1ccc(OCc2ccccc2C#N)c(CSc2ncccn2)c1 6905807 XJHZQJVFCYFLHB-UHFFFAOYSA-N 375.453 4.422 30 40 GIEB COc1cc(C#N)cc(Cl)c1OCC(=O)N[C@@H](c1cccs1)C(C)C 12739621 RYLFCRUABHDHFN-QGZVFWFLSA-N 378.881 4.174 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 23112209 VMYFGAVBWVEYAH-FQEVSTJZSA-N 384.911 4.363 30 40 GIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182417 STFQTDWPPDEYKE-MTJSOVHGSA-N 376.456 4.342 30 40 GIEB Cc1cc2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc2cc1C 34791596 NHDVKMHAVQCVLX-UHFFFAOYSA-N 390.464 4.470 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](S)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 118928825 MDYOCVRPFLWERO-SHKBYVEVSA-N 377.623 4.437 30 40 GIEB CCCCCCCCCCCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 226822184 DJMNLEHXYNJNGB-UHFFFAOYSA-N 387.524 4.359 30 40 GIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)c1 408856273 JQYUTFACSGHNRG-JVVDOCDTSA-N 396.468 4.047 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3OCC(N)=O)c2C#N)C1 409213851 VWLJKZVZPKWSSY-JNXALSOLSA-N 395.528 4.385 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccncc2C)n1 585293748 LPFZDDFNQNXHNU-JOCHJYFZSA-N 399.502 4.226 30 40 GIEB O=C(Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1)c1ccccc1 4551303 VLLTXXQDFVTHBD-XIEYBQDHSA-N 386.451 4.493 30 40 GIEB N#CCCCOc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 4632454 AYVGZRRPRWVQFW-UHFFFAOYSA-N 392.422 4.163 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 5552587 VLXNLYFOSIENSG-ATVHPVEESA-N 397.477 4.355 30 40 GIEB C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1)C(=O)O 6510695 WVJONGWPMYKBRJ-KBVBDRTLSA-N 375.218 4.197 30 40 GIEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 6549717 UCKBTBZWAVINCB-CQSZACIVSA-N 389.484 4.136 30 40 GIEB CC(=O)Nc1s/c(=N\N=C\c2ccc(Cl)cc2)[nH]c1-c1cccs1 8768397 QFAYXPJHXKXPBJ-GIJQJNRQSA-N 376.894 4.351 30 40 GIEB OC(C#C[C@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1 16125508 KRPAZWWYUJDRQK-QFIPXVFZSA-N 382.381 4.376 30 40 GIEB CCSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611414 RJMJREAAJZSASK-VXLYETTFSA-N 376.869 4.406 30 40 GIEB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 103851192 ZNGUVQPWLCXEBG-LLVKDONJSA-N 393.921 4.215 30 40 GIEB CC[C@H]1/C(=N/O)C2=C(CC(C)(C)CC2=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 1280675 YCUGTVORTDTIRL-NSXBFYBASA-N 398.503 4.116 30 40 GIEB biogenic Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cc(Br)ccc2O)S1 2773560 GKEHBKKJSTVNKA-DHDCSXOGSA-N 389.274 4.355 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 4436117 MYVHBNPLGMSIOC-AWEZNQCLSA-N 381.288 4.329 30 40 GIEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 5127675 JDONAFBGMJHURR-LFYBBSHMSA-N 377.362 4.069 30 40 GIEB Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3sccc3C#N)cc2)c1 32666453 LKLADRUUXXTAJA-UHFFFAOYSA-N 391.452 4.198 30 40 GIEB O=C(C1CCCCC1)N1CCC(=NOCc2cc(-c3ccccc3)on2)CC1 36397015 WQGYRYYOHVTVBI-UHFFFAOYSA-N 381.476 4.417 30 40 GIEB CCCCCCNC(=O)C[C@@H]1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O 105037499 SXUAKBHXRFEDLQ-VFOOBRQFSA-N 395.956 4.296 30 40 GIEB C=CCOc1cc2c(cc1C/C=C/c1cc(OC)c(OC)c(OC)c1)OCO2 1611533 ZWWYNCJKLRIMJG-VOTSOKGWSA-N 384.428 4.262 30 40 GIEB C=CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 2053752 ZPNZAJGDWNZLNS-UFFVCSGVSA-N 381.332 4.385 30 40 GIEB COc1ccccc1N(Cc1ccccc1C#N)S(=O)(=O)c1cccs1 2664032 BUUGOSWCVLUCBT-UHFFFAOYSA-N 384.482 4.024 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 2700524 TZTHMMYDPNOUBY-SSZFMOIBSA-N 391.514 4.098 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccc(C)c1 3400732 UBDVQJFMESFPFA-AEFFLSMTSA-N 384.549 4.227 30 40 GIEB N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1 3851772 NPKLNEYFRAZXIW-ZFWWWQNUSA-N 395.212 4.197 30 40 GIEB biogenic O=C(/C=C/c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)c1cccnc1 6047916 SLPHWVDAYJLZNT-BUHFOSPRSA-N 379.419 4.394 30 40 GIEB CCOC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3ccccc3)n2)cc1 8844180 MHDGSPRIXMOFEM-UHFFFAOYSA-N 391.452 4.190 30 40 GIEB C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1cccc(C)c1 12926751 APKNXKUTFALLFJ-UHFFFAOYSA-N 392.528 4.406 30 40 GIEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 16125472 PXAJNJUAUSATPJ-IRXDYDNUSA-N 388.307 4.366 30 40 GIEB CC(C)Cc1nc(C#N)c(NC[C@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1 32594252 CALBYNBTHSJMRM-MRXNPFEDSA-N 380.414 4.478 30 40 GIEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 101472596 JMIQRWJDWGQGSQ-UHFFFAOYSA-N 384.194 4.355 30 40 GIEB CSc1nc2c(-c3ccccc3)c(COc3ccccc3)nn2c(N)c1C#N 215881880 YHWMUSYIMQGCRG-UHFFFAOYSA-N 387.468 4.151 30 40 GIEB CC(=O)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409279992 JEXUHAPRCLBXMU-UHFFFAOYSA-N 389.455 4.252 30 40 GIEB CC/C(C)=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 4792996 VVQQAMFBARERKL-QRVIBDJDSA-N 396.516 4.496 30 40 GIEB C=CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(Cl)cc1 6293536 CONOPRVONWEOIJ-UHFFFAOYSA-N 398.919 4.340 30 40 GIEB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 7481848 CTWQSXWEQDONSG-GOSISDBHSA-N 390.483 4.093 30 40 GIEB C=CCc1cc(OC)ccc1OCCOCCN1CCCC[C@H]1c1cccnc1 8744415 ABUQETYFLPMPLJ-QHCPKHFHSA-N 396.531 4.441 30 40 GIEB biogenic C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1C1CCCCC1 9457285 MHKYTADQCZPLLP-HNNXBMFYSA-N 376.570 4.441 30 40 GIEB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(C#N)cc3)s2)cc1 13017071 SZCWPNNLSWZNKL-YVLHZVERSA-N 394.887 4.385 30 40 GIEB COc1cc(CC/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC 17128843 VJQXOISOAAINCC-AWQFTUOYSA-N 399.230 4.286 30 40 GIEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2cc1C 35311842 CECJMGNWSHSPGI-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB CCOC(=O)/C(=N/Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 38663358 MYOCGBVMLJTBCU-MFKUBSTISA-N 388.349 4.028 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1 72391294 QIPYOEKNBHHAPC-RUZDIDTESA-N 390.527 4.217 30 40 GIEB CC1=NN(c2nc(C(C)(C)C)cs2)C(=O)/C1=N/Nc1ccccc1Cl 100005957 HAYGGZUBWXLJDG-KGENOOAVSA-N 375.885 4.285 30 40 GIEB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122257 BUJNXELMCHLEKS-GZTJUZNOSA-N 376.485 4.444 30 40 GIEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)c1 409058694 KKSVKHCCIGKFFV-DLTWUOELSA-N 396.468 4.407 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(Cl)c1 654697 KUUHSYLFMJTYRB-SFHVURJKSA-N 395.842 4.090 30 40 GIEB CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1 849626 FTRZPOPUBMWRNY-UHFFFAOYSA-N 381.251 4.079 30 40 GIEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC(C)(C)C 1104177 OVAHVRHSBINBHL-UHFFFAOYSA-N 394.544 4.215 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F 4904623 VWBAYPZVCVNMJW-XPWALMASSA-N 381.447 4.224 30 40 GIEB C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2ccc(OC)cc2[nH]1 5347137 LNRHKEYHIQYCQR-UHFFFAOYSA-N 380.444 4.022 30 40 GIEB NC(N)=N/N=C(/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 5785365 ADAFTDLZRBWZOK-QRVIBDJDSA-N 375.181 4.038 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)[nH]2)n(C2CCCCC2)c1C 11474602 LQEOAVCBPPECKE-UHFFFAOYSA-N 398.536 4.208 30 40 GIEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)CCCC2 14092791 HQMDRSQNOABDPN-AWEZNQCLSA-N 379.529 4.277 30 40 GIEB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NC1(C#N)CCCCC1 22117832 QKMWSNSXHKILBB-CYBMUJFWSA-N 393.582 4.106 30 40 GIEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCC3)o2)cc1 27562213 XJYOWKLOUGNNTN-GOSISDBHSA-N 378.432 4.064 30 40 GIEB Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c2ccccc21 28182423 KEZUVMYJHOLRSK-XKZIYDEJSA-N 388.467 4.486 30 40 GIEB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66091505 QOOFZULKKXERPL-OAQYLSRUSA-N 397.515 4.498 30 40 GIEB CC(C)COc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 408600543 CVBGPOVVZXONBE-FOKLQQMPSA-N 381.501 4.254 30 40 GIEB C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409106266 QROBTYROKNAWLS-UKTHLTGXSA-N 398.278 4.079 30 40 GIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(O)=NC1=S 655007 CWJHVRDJNPUSHI-LDADJPATSA-N 379.485 4.056 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccs2)o1 796029 NGUMIZVYGXKONT-LJQANCHMSA-N 393.464 4.471 30 40 GIEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 2104631 WSKBFQHLRNBOPT-NDENLUEZSA-N 376.364 4.432 30 40 GIEB biogenic C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C(C)C)cc1 2325484 HLIMIEPRFUUFJN-IBGZPJMESA-N 384.501 4.189 30 40 GIEB C=CCNC(=S)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)c(OCC)c1 4511319 DMQCERXWUKWVLJ-PFRBSUFTSA-N 383.517 4.209 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OCC 4918346 BTCABBSOCQRFLF-REWPJTCUSA-N 394.467 4.413 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 5045099 WWMUVBBCAWMQCP-GOSISDBHSA-N 385.485 4.096 30 40 GIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(F)cc1)CC2 8115801 KYOXZKOFVSMETP-XSFVSMFZSA-N 378.197 4.104 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769834 QVJJTTWPHZLECW-MPBGBICISA-N 396.372 4.111 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)COc2ccc(CC=C)cc2OC)cc1 13023166 IUCUXXNETFPCCJ-UHFFFAOYSA-N 381.472 4.026 30 40 GIEB CN1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 30029566 PJYVVEJXVJTORP-JHUUHBRDSA-N 398.510 4.083 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1cccs1 97105071 JRCMECKZXZITTI-OXQOHEQNSA-N 386.469 4.085 30 40 GIEB CN(C)CCO/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926511 VDVFPECJIDUPKS-SBACHDCYSA-N 376.585 4.324 30 40 GIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218456319 HWJWRIGEYHTQTL-UFYCRDLUSA-N 389.904 4.135 30 40 GIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1 225815332 GTBHCOWZXWNRNU-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br 408816410 JOYTXCTVKDIXMB-XFFZJAGNSA-N 388.670 4.333 30 40 GIEB O=C(NCc1ccc(/C=N/c2ccccc2F)o1)C(=O)Nc1cccc(Cl)c1 408872116 KSZZISTXGIZVRN-FOKLQQMPSA-N 399.809 4.078 30 40 GIEB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 409066323 LDDXJKZCNXDXKH-YBFXNURJSA-N 394.452 4.202 30 40 GIEB CC(C)NC(=O)CSc1nc(Cc2ccccc2)cc(C(F)(F)F)c1C#N 664849 VANXOYPFJFUSNN-UHFFFAOYSA-N 393.434 4.180 30 40 GIEB Cc1ccc(OCCSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238274 DLRASYMSRKMGOT-UHFFFAOYSA-N 377.469 4.097 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5389421 SCDNONKTEQLSFS-ODLFYWEKSA-N 395.411 4.181 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 18177612 ODTVTKNTHDWUIX-IBGZPJMESA-N 379.485 4.058 30 40 GIEB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(C#Cc2cccs2)c1 24927390 ZZSZSMZQBOAYPP-UHFFFAOYSA-N 394.521 4.358 30 40 GIEB COc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2)cs1 31676174 HRDLWPCCPQMWSI-UHFFFAOYSA-N 379.441 4.287 30 40 GIEB CCN(CC)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1N1CCCCC1 100191414 LOMZEDFOWOOGKO-LTGZKZEYSA-N 389.521 4.051 30 40 GIEB O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102930597 OWNCHJRMEPTOGW-IBOXJLQUSA-N 396.855 4.423 30 40 GIEB C=CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224369143 SJHLQGTYVRQRNQ-UHFFFAOYSA-N 392.480 4.320 30 40 GIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225101805 NGLYESCKGQHKCZ-UHFFFAOYSA-N 389.370 4.234 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccc(C)c4)nc3c2[C@@H]1c1ccco1 5345350 NIJYTUMDOBFNNH-GOSISDBHSA-N 386.411 4.080 30 40 GIEB C[C@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1ccc(F)cc1 5903691 FVDKXLLFCFEZDZ-AWEZNQCLSA-N 382.464 4.059 30 40 GIEB Cc1ccc(/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1Br 6659058 ONKONDDKQPBBQE-QOCHGBHMSA-N 398.304 4.278 30 40 GIEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1O 8108939 PLRWUYCBKXIZTH-PDGQHHTCSA-N 381.453 4.366 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 8958753 LDMYAGOPEUGRMI-UHFFFAOYSA-N 378.472 4.493 30 40 GIEB C=CCn1c(CC(=O)Nc2ccccc2C)nnc1SCc1ccc(F)cc1 9327878 FMOUTCIXCZGQKN-UHFFFAOYSA-N 396.491 4.385 30 40 GIEB COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1 12556156 ZXYSBPHATOHDPQ-ZDUSSCGKSA-N 399.516 4.345 30 40 GIEB CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 12933750 TWKSSQRUMHCRFC-UHFFFAOYSA-N 380.451 4.094 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1OC 13137364 MWHUSPWVGBWRHP-RUDMXATFSA-N 377.234 4.458 30 40 GIEB N#C[C@H](NC(=O)CCc1ccccc1Cl)c1cccc(Br)c1 58179446 RHFAUWUQCYWWJO-INIZCTEOSA-N 377.669 4.416 30 40 GIEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OC 59105895 OEUQQNOVUPUVCA-OQLLNIDSSA-N 392.839 4.388 30 40 GIEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102802600 XUYAADNIPQGMBJ-JBCNATCCSA-N 387.410 4.448 30 40 GIEB CCc1ccccc1NC(=O)C(=O)CC(=O)C1=C(C)Nc2ccccc2S1 104274641 NXIRYPKILVKMMQ-UHFFFAOYSA-N 380.469 4.165 30 40 GIEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2OC)n1C 408560365 HEUHXEKQYJUAOT-UHFFFAOYSA-N 376.526 4.067 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc1 408749306 FNWNIZSCCFNIKX-OCKHKDLRSA-N 387.739 4.257 30 40 GIEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c1C 408914960 SHZFJGYBFRZHFQ-SSDVNMTOSA-N 393.399 4.465 30 40 GIEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccc(F)cc1 409145384 OFWUYPXCMCEZMY-VJKRPUOMSA-N 396.421 4.052 30 40 GIEB FC(F)(F)C(Oc1cc(Br)ncn1)(C(F)(F)F)C(F)(F)F 604221709 YRWQYVDFYBIEFH-UHFFFAOYSA-N 393.003 4.044 30 40 GIEB C[C@H](Oc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1)C(=O)O 6510694 WVJONGWPMYKBRJ-QNCMIEPLSA-N 375.218 4.197 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cc(OC)ccc1OC)C2=O 20611094 UTCVMWVGPIYCTH-BKUYFWCQSA-N 397.471 4.258 30 40 GIEB biogenic Cc1cc2c(c3c1C(=O)/C(=C/c1cccnc1)O3)CN(Cc1cccs1)CO2 41645064 DPSWGUBCAIMKPP-OCKHKDLRSA-N 390.464 4.420 30 40 GIEB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 66091513 CKBGVLVRFCNJEM-JOCHJYFZSA-N 388.467 4.302 30 40 GIEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc1 101315289 RQSVSQADLPEUCB-ZFGLAFRWSA-N 390.483 4.480 30 40 GIEB CN(C)c1ccc(/N=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 105893515 QQOUJFUUDCWMND-HEHNFIMWSA-N 377.429 4.429 30 40 GIEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)c2cccc(F)c2N1C1CSC1 223757626 JDNDNEQVTIKHIR-IWIPYMOSSA-N 395.381 4.123 30 40 GIEB CCc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 626396 QYNVFMBRBZMBCK-QFIPXVFZSA-N 388.467 4.257 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 1167438 DLPNNFCUBFGKEH-DHDCSXOGSA-N 388.788 4.178 30 40 GIEB CCOC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C 1927547 WMGJWMODWOBEPU-UHFFFAOYSA-N 394.905 4.489 30 40 GIEB C=CCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033585 JJEPYUQVXQSZKZ-CQSZACIVSA-N 381.863 4.405 30 40 GIEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1Cl 5236883 CRVLHDLFRMVADA-ZVBGSRNCSA-N 398.315 4.138 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 5643171 XXXUEEAVTNMMKK-UHFFFAOYSA-N 391.500 4.103 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@@H]2C)n(Cc2ccco2)c1C 8779702 PTIIJFMDXNJVAT-HNNXBMFYSA-N 388.471 4.008 30 40 GIEB C=CCOc1ccc(-c2nn3c(-c4cc(CC(C)C)[nH]n4)nnc3s2)cc1 13689639 NTTPPGGXCOHYBA-UHFFFAOYSA-N 380.477 4.006 30 40 GIEB C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC 14399230 DWPTUJQUCWCGST-UHFFFAOYSA-N 385.485 4.403 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1F 16741387 PCPMHFHEZXCQBX-FQEVSTJZSA-N 395.430 4.297 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1OC 18197169 WSESRSYJNNULEF-JOCHJYFZSA-N 395.455 4.286 30 40 GIEB Cc1cc(C)c(C#N)c(SCc2nc3sccn3c2Br)n1 28627893 OAJMCQLNOCCNHS-UHFFFAOYSA-N 379.308 4.334 30 40 GIEB COc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)co2)cc1 31424423 WEZTZUWUPJYOHK-UHFFFAOYSA-N 379.441 4.094 30 40 GIEB C=CCOc1ccc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1 35043478 UHANGNRACVOFDC-WOJGMQOQSA-N 394.452 4.340 30 40 GIEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCc3cn[nH]c32)cc1 89775082 WHTPOMXJXQICHM-NRFANRHFSA-N 388.446 4.069 30 40 GIEB Cc1cccc(N/N=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 97442181 YHCRHSVWRHFBFJ-DARPEHSRSA-N 399.410 4.122 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102931961 HAMLLXBMNDCGAF-LFVOPCPISA-N 390.826 4.361 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777790 TZXJVMPYMAGKDK-UHFFFAOYSA-N 384.863 4.297 30 40 GIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408866016 FIKXZPSBPMIIEC-YVLHZVERSA-N 383.860 4.442 30 40 GIEB CC/N=C1/S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1CC 408929967 QEGLIGWNEMPQBH-GDOHLEIWSA-N 385.445 4.475 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]21C 4025768 UQWZWQYTKPEDAK-LKTXNROYSA-N 380.484 4.403 30 40 GIEB biogenic C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccc(C)c1 4814647 OBOWLHDLJHAGJM-CYBMUJFWSA-N 385.518 4.015 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 4934697 ZDGAPVBAKDJXBQ-VOSQQLOXSA-N 399.491 4.469 30 40 GIEB COc1cccc(N2C(=S)N/C(=N\c3ccccc3)[C@]23CCOC(C)(C)C3)c1 5625276 OOCPYGNMOGVRQU-JOCHJYFZSA-N 395.528 4.448 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 6413047 WYWMRGCVHBJYLY-IBGZPJMESA-N 392.386 4.213 30 40 GIEB Cc1cccc(-c2ccc(/C=C3\C(=O)SC(=S)N3CCCC(=O)O)o2)c1 11692955 KXXQQYCNWBKXAD-RVDMUPIBSA-N 387.482 4.321 30 40 GIEB CC(=O)N1C/C(=C/c2ccc(F)c(F)c2)C(=O)/C(=C/c2ccc(F)c(F)c2)C1 69923206 NPZCPUGDZDILKS-NFKAIRTRSA-N 389.348 4.141 30 40 GIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@H](C)CNC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2 100277571 CROQMTIRWFBSQR-MWDCUYGVSA-N 398.591 4.372 30 40 GIEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224607457 KHEKYOKLOGTEKN-UHFFFAOYSA-N 375.490 4.254 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C(N)=O)C1 408628809 AZFVJHXQZAMCJB-LBPRGKRZSA-N 399.491 4.261 30 40 GIEB COc1ccc2ccc(OC)c(/C=N/n3c(S)nnc3-c3ccccc3)c2c1 409060685 SUBYOYYGZDNOTF-LPYMAVHISA-N 390.468 4.286 30 40 GIEB O=S(=O)(Oc1c(Cl)cc(/C=N/O)cc1Cl)c1ccc(Cl)cc1 409065830 NSPJTCDRPIIUMA-REZTVBANSA-N 380.636 4.223 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409142229 WYSDERXDLDMYCX-CPNJWEJPSA-N 392.455 4.051 30 40 GIEB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 585294079 NNGAOUNTEFPDNE-QFIPXVFZSA-N 395.470 4.305 30 40 GIEB C/C(=N/N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1)c1ccc(F)cc1 4568551 CBZWBYFFKUWBIL-ZKDCOOFMSA-N 398.463 4.315 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccccc1Cl 5499598 WHGWEQJJQQJEJV-ZDUSSCGKSA-N 387.892 4.286 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(OC)c3)c2)c1 13017280 DEEJFLJREKVAGM-UHFFFAOYSA-N 385.419 4.134 30 40 GIEB N#Cc1ccc(OCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 16180562 YMLQSZJGTMWCSW-UHFFFAOYSA-N 376.387 4.185 30 40 GIEB C=C(C)[C@@]1([C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 16607784 MPHZLOIHMMVPQQ-NZQKXSOJSA-N 386.455 4.011 30 40 GIEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611466 PSVSJAIYGJJJMP-UFWORHAWSA-N 380.832 4.155 30 40 GIEB C[C@@H](Nc1cccc2c1OCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 55156566 LMNFXBVXHWMIME-CYBMUJFWSA-N 397.500 4.099 30 40 GIEB N#Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c(Cl)c1 72036801 PNWMGHSUDHNJDF-UHFFFAOYSA-N 383.860 4.428 30 40 GIEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 83297175 VWWPSMKDTFAGOC-FOWTUZBSSA-N 382.803 4.412 30 40 GIEB COc1cc(Cl)c(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OC 136431413 WKWDOIBJOXROHK-GIHWDFNMSA-N 380.878 4.232 30 40 GIEB Cc1cccc(COc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)c1 225843573 WUZBSQFPHKQEAF-UHFFFAOYSA-N 397.276 4.035 30 40 GIEB CN(C)/C=N/c1cc(Cl)ccc1Oc1ccc(Cl)cc1S(=O)(=O)O 255187583 FMGUGSPIYTXCRQ-GIJQJNRQSA-N 389.260 4.254 30 40 GIEB CCn1c(N/N=C/c2ccc([N+](=O)[O-])cc2Br)nc2ccccc21 408692504 NXHYRHWBRGQHCU-VCHYOVAHSA-N 388.225 4.173 30 40 GIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)o1 409313031 ASFUFVFJWHOANR-LLVKDONJSA-N 388.265 4.456 30 40 GIEB CC1=NN(c2ccccc2)C(=N)/C1=N/NC1=C(C)[C@H](C)[C@H](c2ccccc2)C1=O 1554504469 YKQZOXQLAPWNPB-CHZUNTQBSA-N 385.471 4.082 30 40 GIEB CCc1ccccc1NC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 3068171 JVAINVDIOUPPNZ-ZDUSSCGKSA-N 395.221 4.382 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O 4698868 WPOGYKGNUZKIKY-NTUHNPAUSA-N 389.230 4.150 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 4803046 SHELBKQVJORADB-XUSGNXJCSA-N 393.512 4.304 30 40 GIEB Cc1cc(SCN2C(=O)c3ccccc3C2=O)n2c(nc3ccccc32)c1C#N 7737768 RWZVOHDPFIPBSB-UHFFFAOYSA-N 398.447 4.013 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1 16737275 CYUZJZNQIHIFKB-HXUWFJFHSA-N 377.440 4.240 30 40 GIEB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960076 ZZCVUJNKRRELCH-QLJPJBMISA-N 384.486 4.070 30 40 GIEB FC(F)Oc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)[nH]2)cc1 27526032 GPEKSCJQPRFKBA-ODCIPOBUSA-N 389.383 4.008 30 40 GIEB CN(Cc1ccc(Br)s1)C(=O)CSCc1ccc(C#N)cc1 48022843 ZIEUWTAVOCONOR-UHFFFAOYSA-N 395.347 4.274 30 40 GIEB CC1=NN(c2ncc(C(C)(C)C)s2)C(=O)/C1=N/Nc1ccccc1Cl 101432944 HOBZPNMTDVLBHM-KGENOOAVSA-N 375.885 4.285 30 40 GIEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218472266 PJVUXKTVOIOLOO-BZSNNMDCSA-N 396.295 4.089 30 40 GIEB CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccc(C(=O)OC)cc1 408912784 RMCNJZSWQOQCRX-DOXJHMMXSA-N 386.498 4.467 30 40 GIEB O=C1CSC(=N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 408986845 POJWPQAPVGUCMT-DNTJNYDQSA-N 394.283 4.125 30 40 GIEB Cc1cncc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1 585294439 FOSGKQQLWGYYOW-GOSISDBHSA-N 376.489 4.194 30 40 GIEB COc1cccc(C(=O)O/N=C(\C)c2sc3nc4ccccc4n3c2C)c1 1398767 BGVCOTNITXPSGB-WSDLNYQXSA-N 379.441 4.447 30 40 GIEB CCc1nc(N/N=C/c2ccc(O)c(OC)c2)c2c3c(sc2n1)CCCC3 4018732 BNFJOXHXCKVEDT-SRZZPIQSSA-N 382.489 4.293 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 12407168 FIZZKFYTGFEEBB-UHFFFAOYSA-N 385.807 4.216 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1 12477854 NDPYHEXUIJTPPK-UHFFFAOYSA-N 393.443 4.071 30 40 GIEB biogenic C/C(=N\Oc1cc(N)cc(NC(=O)COc2ccccc2C)c1)c1ccccc1 12846468 GUEIFHUGIIYXRP-YZSQISJMSA-N 389.455 4.398 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc2c(cc1Cl)OCO2 15015965 BMOZIHXGAPERIA-UUASQNMZSA-N 376.796 4.099 30 40 GIEB O=C1Nc2ccccc2/C1=N/N=c1/[nH]c(-c2ccc(Cl)c(Cl)c2)cs1 17221848 FAHXHAUCRKEVJE-UHFFFAOYSA-N 389.267 4.307 30 40 GIEB C=CCSc1ccccc1NC(=O)CN1CCC([C@H](O)c2ccccc2)CC1 32902734 RJEWHSNDTXHRCV-HSZRJFAPSA-N 396.556 4.349 30 40 GIEB N#Cc1c(Cc2ccc(F)cc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846918 UTEBUSBAPDHVBY-UHFFFAOYSA-N 375.234 4.422 30 40 GIEB N#Cc1c(-c2ccccc2)nc2c(-c3cccc(Br)c3)cnn2c1N 408954033 QZDYYSVAUUOMRO-UHFFFAOYSA-N 390.244 4.280 30 40 GIEB CC(C)([C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 544364558 AWXBIQVSPYZZLP-FQEVSTJZSA-N 383.442 4.182 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc(C)c1 2446776 BDWOGGNIGIYKBM-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(I)cn1 5331428 DHSDDMMGEOQXGX-FZSIALSZSA-N 393.011 4.449 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)cc(OC)c1O 11335382 XDCXIYABZSPRSW-ZZXKWVIFSA-N 381.197 4.207 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1C 14081926 OJBDKQQXBFLHOR-KRWDZBQOSA-N 392.528 4.409 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 17370093 IPHADPKUEXVPBL-HNNXBMFYSA-N 395.846 4.217 30 40 GIEB O=C(/N=C(\N=C(\c1ccccc1)N1CCOCC1)c1ccccc1)c1ccccc1 17951731 FJMXHQHBQGWAQX-VJPFFLOMSA-N 397.478 4.053 30 40 GIEB Cc1cn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(=O)n1-c1cccc(C#N)c1 48290305 ZKELQGIUPYMCIO-NRFANRHFSA-N 392.478 4.293 30 40 GIEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 100918870 YWASONMCGVRIGU-BSBNDGSWSA-N 379.501 4.055 30 40 GIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 224702999 VOVDYVPMAXEYTE-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)S/C1=N/c1ccc(F)cc1 409248751 IMIICUUAORRXMU-LMDBJESCSA-N 384.432 4.221 30 40 GIEB COCc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585294751 JEEFTIMKNITICG-OAQYLSRUSA-N 389.459 4.168 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)o1 796026 OWHPGNWKICPWQW-IBGZPJMESA-N 377.396 4.002 30 40 GIEB COc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2)c(C#N)c1C 838375 VSKCJQBWZKXPFS-UHFFFAOYSA-N 391.452 4.441 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(F)(F)F)cc1 1255695 SECFRAVOAJKANB-KRWDZBQOSA-N 399.368 4.447 30 40 GIEB CCC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 1397069 RLHVJMQEAVPXEP-FXBPSFAMSA-N 377.227 4.198 30 40 GIEB COc1ccc(C(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)cc1 2346560 SPQZNAIMAOGWPD-UHFFFAOYSA-N 375.453 4.307 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(OCc3c(C)noc3C)cc2)SC1=S 3209258 KCTSBFCOVZVPTE-LICLKQGHSA-N 386.498 4.258 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 4436350 YBDQACIIKPXBRL-QGZVFWFLSA-N 384.505 4.057 30 40 GIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 5498986 XLKQMAFSRQVELF-UHFFFAOYSA-N 379.485 4.327 30 40 GIEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 8993096 SHEYRPLHKPJOQQ-NHDPSOOVSA-N 388.398 4.189 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OCC)cc1 11914090 JFCFSTMFSVFXQJ-JOCHJYFZSA-N 389.455 4.221 30 40 GIEB C=CCn1cc(C(=O)Nc2ccc(C)cc2C)c2nn(-c3ccccc3)c(=O)c-2c1 17025934 FRAQSGYESPLWHA-UHFFFAOYSA-N 398.466 4.194 30 40 GIEB O=[N+]([O-])c1ccc(Cl)cc1/C=N\NC(=S)Nc1cccc2cccnc12 17419823 LLEKAMWZSUOXNB-JMIUGGIZSA-N 385.836 4.117 30 40 GIEB C=C(C)Cn1nc(OCC)n(C2=C(c3ncn[nH]3)C3=C(CC[C@H](C)C3)C2)c1=S 26961195 CLBDWAMFARKDMH-ZDUSSCGKSA-N 398.536 4.396 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c(C#N)c1C 32878888 GZQOAWAQGGDTNS-UHFFFAOYSA-N 393.468 4.456 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C(O)=NC1=S 33321635 JAUKKETZVHYLTN-SFQUDFHCSA-N 396.443 4.058 30 40 GIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1 72391293 QIPYOEKNBHHAPC-VWLOTQADSA-N 390.527 4.217 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(F)c1)c1cccs1 85409793 FVARNEFHRUDIHC-AWEZNQCLSA-N 386.429 4.127 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409083171 KRFXOKGFFVSWFB-WJDWOHSUSA-N 381.815 4.095 30 40 GIEB CCOC(=O)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409109076 XKTTVELRGZZGOZ-HZHRSRAPSA-N 382.460 4.231 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCCCC1 3485655 XTRDEXNKQZAJEI-INIZCTEOSA-N 384.549 4.481 30 40 GIEB Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1C 4675184 AHEIIOQEHVBKLE-HLGQQVFSSA-N 385.464 4.033 30 40 GIEB Cc1ccc(/N=C/c2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1 5543289 FINYSLVZLFHIAU-GIDSKACHSA-N 376.372 4.025 30 40 GIEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCc1cccnc1 13205885 JBFQNRMZWXNPOX-UHFFFAOYSA-N 375.215 4.439 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccccc1O 33348349 HQWIASVEBSKYDU-NTEUORMPSA-N 375.247 4.046 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 36215634 RVFWHCHTJGABLD-LAGVDGIJSA-N 392.480 4.201 30 40 GIEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 60163565 KIKCFXAIWNITMR-UHFFFAOYSA-N 399.462 4.297 30 40 GIEB CCOc1cc(/C=C2/CCc3ccccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 89990970 WSPLFFPNPLDYTH-UYPHOHSBSA-N 393.483 4.153 30 40 GIEB CCCCOC(=O)C(=O)[C@H](C[C@@H](CC)C(=O)c1ccccc1)C(=O)C=C(C)C 102981915 DQZGZYQZVCPIBC-IEBWSBKVSA-N 386.488 4.350 30 40 GIEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873766 CQIMMQLWXXDVTE-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(I)c1O 408617638 AUGMSEFDQAJSOX-CMDGGOBGSA-N 394.208 4.292 30 40 GIEB COC(=O)c1cccc(/N=C\c2cc(Br)c(Br)o2)c1 408851804 AABOECJABXLPGZ-APSNUPSMSA-N 387.027 4.342 30 40 GIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408882543 QRJCPNYFUZWPJV-YVLHZVERSA-N 383.860 4.442 30 40 GIEB CCOCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccccc1 408929689 MPKSDWDQYAZXRL-GKVQKNEHSA-N 383.517 4.282 30 40 GIEB Cc1cc(/N=C/c2ccc(N3CCOCC3)c(F)c2)ccc1Br 409130311 LGBPOCDYMMQJIY-CIAFOILYSA-N 377.257 4.484 30 40 GIEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409298843 YAEYUILHGCFFKZ-UHFFFAOYSA-N 391.471 4.344 30 40 GIEB C=C(C)CSc1nc(=O)c2cc3c(nc2n1-c1ccccc1)CC(C)(C)OC3 2296776 FWGGXJJCUQGAPR-UHFFFAOYSA-N 393.512 4.300 30 40 GIEB O=C(Oc1ccc(/C=N/c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3117345 NXQGRCDUUKGMPG-FYJGNVAPSA-N 391.339 4.473 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 4285255 RAIKGIPXRTXRJV-OAQYLSRUSA-N 395.499 4.419 30 40 GIEB CCOc1ccc2nc(SCc3ccc(CC(=O)O)cc3)c(C#N)cc2c1 4898905 FEMHOLXBSUSSIT-UHFFFAOYSA-N 378.453 4.425 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)cc(OC)c1OC 7586539 OSWDGKYZVSUORP-RMKNXTFCSA-N 385.435 4.348 30 40 GIEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 13551696 FAZKFLSWHRIETJ-NRFANRHFSA-N 387.439 4.156 30 40 GIEB C=CCn1c(S[C@@H](CC)C(=O)Nc2ccccc2F)nnc1-c1cccnc1 20171439 CUQBCRNCMXXOIK-KRWDZBQOSA-N 397.479 4.175 30 40 GIEB CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3ccccc3OC)o2)c1 20761772 JRIQXLLEISTAGE-BUVRLJJBSA-N 378.428 4.256 30 40 GIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608317 LSUJEBPDDRYGCQ-BFUOFWGJSA-N 397.548 4.114 30 40 GIEB N#CCCCOc1ccc2c(c1)c1cc[n+](CCCC#N)cc1n2CCCC#N 68605529 UNIVUKFZLBRZDJ-UHFFFAOYSA-N 386.479 4.372 30 40 GIEB CN(C)/C=C(/C(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 100254890 XAKZTZXOKGOGQC-WJDWOHSUSA-N 384.284 4.053 30 40 GIEB C=CCOc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 225458464 ODXOLCKQTOZPJN-UHFFFAOYSA-N 378.501 4.232 30 40 GIEB C#CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl 408596470 ZOGGFPGLJATIDH-KEBDBYFISA-N 379.199 4.464 30 40 GIEB COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 409117958 POIXFTWKFABJQE-UUYOSTAYSA-N 394.412 4.073 30 40 GIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409304376 JXCFYDDWLGBMLT-UHFFFAOYSA-N 382.670 4.065 30 40 GIEB Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2nn[nH]c2c1 520357762 LEQMBZDQLDZFFM-UHFFFAOYSA-N 385.402 4.124 30 40 GIEB C=CCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1621613 AWOHJMMDXYSVKQ-UHFFFAOYSA-N 387.501 4.333 30 40 GIEB CCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC 1780592 VQSWXSQBDBILAK-LPYMAVHISA-N 382.489 4.250 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O 4025723 CJQNBXFUHQZFOE-VYAQIDIUSA-N 388.504 4.295 30 40 GIEB biogenic,in-vivo CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(Cl)cc(Cl)c1 7007607 SXCQQTAIDPXRKZ-UHFFFAOYSA-N 399.255 4.042 30 40 GIEB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCCO2 7906904 ISEPLOWMDJZTHM-CMDGGOBGSA-N 378.403 4.296 30 40 GIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 8992248 IVXWWGFXGUVLBF-UFFVCSGVSA-N 391.423 4.125 30 40 GIEB CC(C)[C@@H](C)N1Cc2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 95397381 GXGVWCWQSUDXJM-UZUQRXQVSA-N 388.515 4.136 30 40 GIEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCC 103028367 FBDHWBRGKZJNCB-QBEKEKFNSA-N 375.538 4.224 30 40 GIEB C#CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1Cl 107591528 DXKZWOAKLXEBEU-KRWDZBQOSA-N 388.876 4.120 30 40 GIEB CCOc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2CC)cc1 1011669 HOLKFDWHQNCIKH-NXCZOFCGSA-N 396.468 4.438 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@@H]2O[C@H]2c2ccccc2)cc1 1718918 PSLFAUHUATXKOR-VXKWHMMOSA-N 394.448 4.086 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 2201151 MAJHJPAVDGPNSF-CRAIPNDOSA-N 389.245 4.361 30 40 GIEB Cc1sc(NC(=O)COc2ccccc2C#N)nc1-c1ccc(F)c(F)c1 3459500 WKGCAROSEIAOIG-UHFFFAOYSA-N 385.395 4.286 30 40 GIEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 4472987 DNJIFMSWEIFATI-BAOKRACBSA-N 391.855 4.069 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1 4736622 OZKALOWGNDEIQT-VGOFRKELSA-N 386.455 4.011 30 40 GIEB C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 5416222 GFXXJTHGSNYVOU-WIYYLYMNSA-N 377.469 4.293 30 40 GIEB CN(C)c1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1 6419287 SWRJXRRHRROCIN-QHCPKHFHSA-N 397.478 4.401 30 40 GIEB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1sccc1C#N 6605661 SLYLHAYAHPLXTI-FQEVSTJZSA-N 391.496 4.095 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)no1 17821668 UTZLKZVDKGBIGT-KRWDZBQOSA-N 398.802 4.321 30 40 GIEB C[C@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 21678804 IDLIAIYVSGWSLL-DBTPVHCXSA-N 382.847 4.232 30 40 GIEB CC[C@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 33691688 JCJZTJSAGPGOJX-XHEYCZLTSA-N 388.380 4.135 30 40 GIEB CCc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 35311900 XWJLDAOETXOJST-UHFFFAOYSA-N 391.452 4.128 30 40 GIEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc21 38162207 OVLWBKDKRNNCMQ-SRZZPIQSSA-N 375.340 4.409 30 40 GIEB C/C(=N/CCCCCC/N=C(\C)c1cc(O)ccc1O)c1cc(O)ccc1O 104229026 AXRDETRSRUTCQN-REPVBDINSA-N 384.476 4.388 30 40 GIEB O=C(OCC(F)(F)[C@H](F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 169795654 NKYDMKMABWCCTI-REOHCLBHSA-N 376.093 4.169 30 40 GIEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 1829307 SJBBSFUBADGGEA-UHFFFAOYSA-N 393.512 4.219 30 40 GIEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cnccn1 2385626 YMGQVXYBUYPTRF-UHFFFAOYSA-N 387.468 4.049 30 40 GIEB O=C(/C=C/C=C/c1ccccc1)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 2435918 DFFYMGJXSOXIDH-DXVALISGSA-N 388.250 4.362 30 40 GIEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)c2ccccc2)c1=O 2585222 VGDZJOXBBCUKAK-UHFFFAOYSA-N 391.430 4.332 30 40 GIEB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 8192217 MZAPBWRZBGHBIL-CYBMUJFWSA-N 395.513 4.141 30 40 GIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1 8815988 UGEIOKUWOFYKQB-QCLNCQLRSA-N 381.501 4.202 30 40 GIEB Cc1nc2cc(/N=C/c3c(C)c(C#N)c4nc5ccccc5n4c3O)ccc2[nH]1 16249483 YBZCNDKEKDZAKG-BHGWPJFGSA-N 380.411 4.309 30 40 GIEB Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 17078370 FKZRJINBVOSLTC-NSHDSACASA-N 383.542 4.488 30 40 GIEB C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NC1(C#N)CCCC1)C1CC1 40155722 HWRSAFQHKLZDJP-AWEZNQCLSA-N 379.426 4.183 30 40 GIEB C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1cccc(C#N)c1 40155788 NUYBYZCXFYMNHG-CYBMUJFWSA-N 394.418 4.491 30 40 GIEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2c(O)ccc3ccccc23)cc1 55389462 SRZVXUIGGSFIPX-MTJSOVHGSA-N 376.441 4.357 30 40 GIEB C=CCN(C(=O)CCCc1nc(C(C)(C)C)no1)c1nc2c(s1)CCCC2 72278491 PHWXCFXIYLDCII-UHFFFAOYSA-N 388.537 4.244 30 40 GIEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(CC2CC2)CC1 72345267 WVBRUYQBWHUKCI-UHFFFAOYSA-N 389.543 4.086 30 40 GIEB N#C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218237575 GSLJDNRDKBGXJH-PMPSAXMXSA-N 396.693 4.182 30 40 GIEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc2c(c1)OCO2 409300121 WZTXMVSQMVRUHC-UHFFFAOYSA-N 375.428 4.055 30 40 GIEB CCOc1cccc(/C=N\n2c(-c3ccccc3)nc3ccccc3c2=O)c1O 1573817 FDNSQNRKFABPGL-IWIPYMOSSA-N 385.423 4.050 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 4385547 KJRSDWVJNUQKFH-QRQCRPRQSA-N 382.423 4.440 30 40 GIEB C=CCOC(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 4747381 ZGYLXQNVVRUVGT-UHFFFAOYSA-N 378.424 4.109 30 40 GIEB COc1cc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCC#N 7007100 UBBBNDGPOHRUJA-YCRREMRBSA-N 376.334 4.268 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cccc(Br)c1 12347512 QIXWUJBLDUQVEI-CYBMUJFWSA-N 388.265 4.078 30 40 GIEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)c(C)c1 15831957 SBVHLAHMOCCGIS-UHFFFAOYSA-N 390.468 4.069 30 40 GIEB COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1 17025233 IXQHVHXWPFKNRH-UHFFFAOYSA-O 377.489 4.342 30 40 GIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccn1)Nc1nonc1N2 20717460 KWKVRDJQYOZDLC-XIKOKIGWSA-N 393.834 4.098 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3OC)nc2c1 35290830 IEJHIQBAKJBYPJ-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)CC#N)cc12 60297230 QGYGJPMIBAOMMG-UHFFFAOYSA-N 393.299 4.357 30 40 GIEB Cc1csc(N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 409061552 FKNAVCSQPIMWPZ-VXLYETTFSA-N 382.401 4.025 30 40 GIEB CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 2639800 QQWWSYSWQUEDAB-GFCCVEGCSA-N 399.541 4.434 30 40 GIEB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 4973341 WWBNWXYSEORJSI-UHFFFAOYSA-N 388.358 4.161 30 40 GIEB O=C(O)COc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 5648186 LSOHMUFPOTXAJF-NVNXTCNLSA-N 391.242 4.242 30 40 GIEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=S 6856344 QTFWAQORJAEQTJ-UHFFFAOYSA-N 385.876 4.011 30 40 GIEB COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OC 8371797 QFWZGLLOVHWLAJ-VCHYOVAHSA-N 381.213 4.367 30 40 GIEB COc1ccc(C[C@H](NC(=O)c2cccc(C#N)c2)c2ccc(OC)cc2)cc1 15524977 YCAUZJIBPUYTTP-QHCPKHFHSA-N 386.451 4.289 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(Cl)cc1 19959761 RHUSPIPCFNTWJU-XLKFXECMSA-N 382.773 4.218 30 40 GIEB COc1ccc(C(=O)/C=C/Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC 44843659 FTFDEHHIBJKRRS-VAWYXSNFSA-N 392.411 4.358 30 40 GIEB C[C@H](Nc1cccc2c1OCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 55156565 LMNFXBVXHWMIME-ZDUSSCGKSA-N 397.500 4.099 30 40 GIEB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC#N)cc3)SC2=S)cc1 61110037 IGWIHNLLCYCKEN-SFQUDFHCSA-N 382.466 4.003 30 40 GIEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)Oc2cc(O)ccc21 96930446 CNRLEFCVKHGGAP-NHDPSOOVSA-N 381.391 4.256 30 40 GIEB COc1ccc(N2N=C(C)/C(=C\Nc3sc4c(c3C#N)CCCC4)C2=O)cc1 101112385 WEAIPDGKRKURAE-LDADJPATSA-N 392.484 4.226 30 40 GIEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409059588 SHFOCYVBEAUJPT-DLTWUOELSA-N 396.468 4.407 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F 3018571 HCSGOORIWPJLHV-QGZVFWFLSA-N 393.405 4.482 30 40 GIEB COc1ccc(Br)cc1/C=N/Nc1oc(-c2ccccc2)nc1C#N 4276499 UQQCPJWOIMOENJ-SRZZPIQSSA-N 397.232 4.430 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 4898321 ZSQAYGRPPVGMCI-JOHJSAGNSA-N 385.464 4.078 30 40 GIEB N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304572 VUDAGASMHYKDNV-UHFFFAOYSA-N 396.449 4.036 30 40 GIEB C/C(=N\Nc1ccccn1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 5494724 RXANKLKQLZHCQK-XQNSMLJCSA-N 392.415 4.284 30 40 GIEB CC/N=C1\S[C@@H](Cc2ccccc2OCc2cccc(F)c2)C(=O)N1CC 6348078 DUOQAYFVCWDFLV-XHEFNCKESA-N 386.492 4.287 30 40 GIEB COc1cc(CCC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1 10027203 JSMLSAHRANZPBI-UHFFFAOYSA-N 378.472 4.060 30 40 GIEB CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2CC)cc1 13424090 FZKXGIBVTLKGSE-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 215706379 CJOZAWUWBYUCBQ-UHFFFAOYSA-N 380.395 4.221 30 40 GIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224725416 AEVVGOUCBIGPHZ-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB C#CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Br 408568106 HRIVXQNQBLFIDC-INIZCTEOSA-N 399.244 4.351 30 40 GIEB Cc1cc(C)c(C#N)c(SCCC(=O)Nc2nc(-c3ccccc3)ns2)n1 2890673 HYXOGSZDDCAHHJ-UHFFFAOYSA-N 395.513 4.210 30 40 GIEB N#CCCN(C(=O)COC(=O)c1cccc(Cl)c1Cl)c1ccccc1 6829566 RHWCJPUNNDHKOG-UHFFFAOYSA-N 377.227 4.097 30 40 GIEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 6957443 UVSKCKQTDGQVPE-IWIPYMOSSA-N 389.455 4.416 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9484250 FJCSFSXIQJCVHR-BFUOFWGJSA-N 378.457 4.009 30 40 GIEB Cc1cccc(C)c1NC(=O)CCCSCC(=O)Nc1ccc(C#N)cc1 21275653 GQMLDGLWBDRUGF-UHFFFAOYSA-N 381.501 4.266 30 40 GIEB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22133002 LMVGBEZTGLFGQT-HTMJNSLASA-N 394.500 4.426 30 40 GIEB CCn1cc(/C=C2\Oc3c(ccc(OCC#N)c3C)C2=O)c2cc(OC)ccc21 28182658 FKNAYIJLMGWKHR-NHDPSOOVSA-N 388.423 4.497 30 40 GIEB Cc1ccc2cc(C#N)c(NCCCNC(=S)NC3CCCCC3)nc2c1 35312818 TZIWHYNPOWIAOG-UHFFFAOYSA-N 381.549 4.014 30 40 GIEB COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)c3c(C)nn(C)c3n2)c1 36616771 BGCZCPDDRMBXTK-UHFFFAOYSA-N 397.438 4.076 30 40 GIEB N/C(=N/OCc1cc(F)cc2cccnc12)c1cccnc1Oc1ccccc1 58027094 NWFSMBCRGVVCAA-UHFFFAOYSA-N 388.402 4.398 30 40 GIEB CCCCCCCCCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 70670037 RBBZSIFZZRPZPJ-UJWQCDCRSA-N 386.529 4.150 30 40 GIEB biogenic C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225611233 SIBBFBYOJBAGLH-UHFFFAOYSA-N 392.883 4.267 30 40 GIEB O=C(/C=C/c1cccnc1)C(C(=O)/C=C/c1cccnc1)=C1SCCS1 1087370 NGOACGYHBACKPH-KQQUZDAGSA-N 380.494 4.033 30 40 GIEB CN(C)CCNc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 2399804 QOTCRKSGINIGJC-UHFFFAOYSA-N 396.878 4.419 30 40 GIEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)cc1 7951195 VZWMUXQXMCJBHG-YBFXNURJSA-N 387.288 4.095 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 8192672 BNCONIIVXLTCFH-UHFFFAOYSA-N 383.451 4.314 30 40 GIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cccc(Br)c1 10001097 BYDPAKWEPSAMQJ-PORMKJMCSA-N 390.233 4.190 30 40 GIEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccccc1N1CCOCC1 32115091 PGCWAFJCLNFBEZ-RGVLZGJSSA-N 395.684 4.395 30 40 GIEB C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1OC 218658749 LNNCFZCOFSSYRD-IBGZPJMESA-N 381.472 4.465 30 40 GIEB C=CCc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OC(C)=O 408741287 ICIMQVOWTSRQRN-CPNJWEJPSA-N 376.408 4.330 30 40 GIEB COc1ccc(-c2nc(NC(=O)COc3ccccc3C#N)sc2C)cc1 6942508 DLMNKJLHUGWPQR-UHFFFAOYSA-N 379.441 4.016 30 40 GIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 13690088 XGDBTRHYDYEBGT-XKZIYDEJSA-N 384.435 4.092 30 40 GIEB N#CCc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 15030059 UAJUWEUTKRHKAA-UHFFFAOYSA-N 375.291 4.387 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 17160213 YYINSBZDQBSPPT-NRFANRHFSA-N 384.435 4.169 30 40 GIEB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 59461567 KMAIVAYGPDPURG-OXPLTMENSA-N 375.472 4.187 30 40 GIEB O=C1C(c2cccnc2)=C(c2cccnc2)C(c2cccnc2)=C1c1cccnc1 72232707 XVQVXEQYNUQGHN-UHFFFAOYSA-N 388.430 4.371 30 40 GIEB C=CCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Br)cc2)cc1 408977724 XGRWUGVFZCBMON-SFQUDFHCSA-N 384.229 4.358 30 40 GIEB Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(O)cc3)S2)c1 409021865 COUIRQLDEHNHLW-UYRXBGFRSA-N 375.453 4.383 30 40 GIEB Cc1ccc2c(c1Br)CN(C(=O)N[C@H](C)c1cccc(C#N)c1)C2 595543196 ZVJHPHRWVXVSOM-CYBMUJFWSA-N 384.277 4.416 30 40 GIEB C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 1305129 LMKJJPFEBCCUCA-UHFFFAOYSA-N 384.526 4.434 30 40 GIEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1-c1ccccc1 2526340 TWLMOIRUWFXULX-UHFFFAOYSA-N 399.222 4.408 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 4956818 JRIJTVMJZXYCGG-VZZUUUIUSA-N 396.472 4.229 30 40 GIEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 7276504 IQPXTCQOTDGHMX-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cccc(Br)c1 10001096 BYDPAKWEPSAMQJ-IJAAGYKOSA-N 390.233 4.190 30 40 GIEB C/C(=N\OCC(=O)NCCC1=CCCCC1)c1nc2ccccc2n1C(F)F 22200678 BAAMAUZYRXAEFC-AFUMVMLFSA-N 390.434 4.179 30 40 GIEB COc1ccccc1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 33945811 UWMCVPUENHIQHS-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB Cc1cc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1F 38654460 HAWPYFSJYCANEA-UHFFFAOYSA-N 388.446 4.409 30 40 GIEB CCc1cccc(C)c1/N=C1\NN=C(c2cc3c(cc2F)NC(=O)CC3)CS1 71817281 CTIKTGARUSRIGV-UHFFFAOYSA-N 396.491 4.309 30 40 GIEB O=C(Nc1ccc(F)c(Cl)c1)c1c(C(F)(F)F)n[nH]c1C(F)(F)F 72306821 BAFOLFXYGIWXNK-UHFFFAOYSA-N 375.631 4.492 30 40 GIEB CC(C)(C)c1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1 100823093 UVGIOYNZUIXEPK-PYCFMQQDSA-N 387.888 4.481 30 40 GIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S1)C2 104092781 LQFAYIHXQNLLRS-ROQWYAJGSA-N 398.488 4.357 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106764333 KAXGHNOBPJLJKS-CYVLTUHYSA-N 381.453 4.367 30 40 GIEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccnc1 409280580 LMPPIAFFIDNNCO-UHFFFAOYSA-N 394.356 4.360 30 40 GIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409313150 HTNOQDROBYKLSG-UHFFFAOYSA-N 384.277 4.384 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC 409342224 CUXRLTMLSVUCQX-UYRXBGFRSA-N 395.505 4.421 30 40 GIEB CCN(CC)c1nc2nc(C)[nH]c3nc4c(c(c1C#N)c23)C[C@H](c1ccccc1)O4 3358609 OJEAXBBAZLYBOG-QGZVFWFLSA-N 398.470 4.209 30 40 GIEB COc1ccc(Cl)cc1-c1cs/c(=N\N=C\c2ccc([N+](=O)[O-])cc2)[nH]1 5258345 WREVOBAPMWJFMR-DJKKODMXSA-N 388.836 4.248 30 40 GIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1O 6507750 OAXCQJHZMKRCNH-RPJLVFAOSA-N 379.869 4.271 30 40 GIEB Cc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2N2CCCC2)cc1 7256903 NOQIBJGBVLVERZ-UHFFFAOYSA-N 375.501 4.340 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 8022479 SEVASIYDGDUISY-FQEVSTJZSA-N 397.446 4.219 30 40 GIEB C=C(C)COc1ccccc1CN1CCC(NC(C)=O)(c2ccccc2F)CC1 12344789 GRAWLENKDVAWMG-UHFFFAOYSA-N 396.506 4.408 30 40 GIEB CCOc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1 13711842 BVJDPRDDUBDGGN-ISWCOFGISA-N 377.488 4.242 30 40 GIEB C=CCSc1nc2c(cnn2-c2ccccc2)c2nc(-c3ccccc3)nn12 20799516 ZUTSYZNFUZXSLO-UHFFFAOYSA-N 384.468 4.408 30 40 GIEB Cc1cc(Br)c(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1 22388263 VSTFWYRJSJLGIM-CIAFOILYSA-N 389.293 4.046 30 40 GIEB CCO/C(O)=C(\C(=O)c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 100369754 LUUVGTAGORRJCM-ICFOKQHNSA-N 392.751 4.302 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(F)cc3)o2)cc1C 408772496 MAXJLPXMTVLWHX-WYMPLXKRSA-N 393.418 4.041 30 40 GIEB C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 409378127 MHEILOOQRVSLGR-SFHVURJKSA-N 386.473 4.028 30 40 GIEB C#C[C@@](C)(CC)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 1421823 POXDGMIYDZYJBN-KRWDZBQOSA-N 392.406 4.008 30 40 GIEB COc1ccccc1-c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 2411094 XBJOCWCKOSPQTI-UHFFFAOYSA-N 394.862 4.202 30 40 GIEB aggregator Cn1c(CN(C(=O)CN2CCCCC2)c2ccccc2)c(C#N)c2ccccc21 4182534 XQIBWAFCTDKMNI-UHFFFAOYSA-N 386.499 4.069 30 40 GIEB C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 60475346 NSTQSQCBZNTYLE-MOPGFXCFSA-N 391.515 4.016 30 40 GIEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(C)nn(C)c1C 64926178 GXZJNVYQECSHBI-MDZDMXLPSA-N 386.858 4.279 30 40 GIEB CN(C(=O)C(O)=C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 103054955 RZQKYEDUJOMSBX-UHFFFAOYSA-N 385.419 4.227 30 40 GIEB CC(C)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408912229 PLWPUCVOJUKUAK-KRICTJEJSA-N 383.429 4.313 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409049213 YHAKRFRAORICIE-DHDCSXOGSA-N 395.933 4.218 30 40 GIEB C#CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409090986 OETOKWMOADORDM-HKWRFOASSA-N 387.435 4.170 30 40 GIEB COc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409101870 BULFMLGGYGUVQL-REZTVBANSA-N 385.601 4.476 30 40 GIEB Cc1ccc(C)c(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c1 409359895 ODZONDLXMMDJDE-UHFFFAOYSA-N 386.455 4.009 30 40 GIEB S=C(NCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 980703 FEWAPKAUMSDBHO-LFVJCYFKSA-N 375.497 4.264 30 40 GIEB COc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 2235732 HNDYSJUXSADAAZ-OCKHKDLRSA-N 379.272 4.431 30 40 GIEB C#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2292488 ZHIOWXXLLRKERX-UHFFFAOYSA-N 382.510 4.060 30 40 GIEB COc1ccc2c(c1)CCc1c(C(=O)Nc3sc4c(c3C#N)CCC4)noc1-2 2466077 QQVXHZSFJVNFGU-UHFFFAOYSA-N 391.452 4.123 30 40 GIEB N#Cc1ccccc1OCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 3396345 MXFUFBAENQSFHO-UHFFFAOYSA-N 399.166 4.357 30 40 GIEB Cc1cc(C)nc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)n1 5578624 KBOFTUSIOZGLRW-HZHRSRAPSA-N 389.507 4.024 30 40 GIEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 7016043 DJPPITFNRQTGHV-GFCCVEGCSA-N 399.541 4.072 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2)n1 8558943 LCKPASQOXBDRBU-HTAPYJJXSA-N 386.455 4.153 30 40 GIEB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 12527801 UUUSEHWROWYIPZ-UHFFFAOYSA-N 386.499 4.132 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960004 UDZAZDDPMGKNSZ-HXPMCKFVSA-N 380.835 4.249 30 40 GIEB C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2NC1=O 40089600 OBQKBUDHOCUBEY-JQWIXIFHSA-N 379.466 4.219 30 40 GIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224688694 QOSADZLFXSNVRV-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cc1 528955904 RZLBLCPJACSFCE-NYHFZMIOSA-N 393.443 4.048 30 40 GIEB Cc1ccc(CNC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 915344 SVTLHKSCBWHFCH-UHFFFAOYSA-N 375.497 4.440 30 40 GIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1 12391869 ZPPNOTIZCHQDON-UHFFFAOYSA-N 394.496 4.376 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1Cl 16966797 VTTSBRKOKQWMGZ-UHFFFAOYSA-N 383.835 4.055 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccnc3ccccc13)n1ncnc1N2 18200912 CKMKNQFZVCPGIX-ASSNKEHSSA-N 399.479 4.304 30 40 GIEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 18222364 GKRSXUWRKQNIDF-PGRDOPGGSA-N 385.471 4.212 30 40 GIEB N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 19891921 DMZOGIZAGOYDRT-UHFFFAOYSA-N 394.327 4.460 30 40 GIEB CCN(CC)S(=O)(=O)c1cc(/N=C/c2ccccc2)ccc1N1CCCCC1 59489798 VKVUDAKHUPHLAA-PTGBLXJZSA-N 399.560 4.458 30 40 GIEB CC(C)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 101650662 FQNWMKANXXVQKQ-QCLNCQLRSA-N 381.501 4.400 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775290 FECDGQDSYCTGET-UHFFFAOYSA-N 396.462 4.419 30 40 GIEB Cc1ccc(-c2ccc(/C=N\n3c(C)nc4ccccc4c3=O)o2)c([N+](=O)[O-])c1 409199165 BRAXZKIMQAHYGS-UUYOSTAYSA-N 388.383 4.064 30 40 GIEB Cc1ccc(C(C)C)c(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c1 1240109 RJVGQPVMQOYNSR-ZMOGYAJESA-N 394.544 4.319 30 40 GIEB COc1ccc2ccccc2c1/C=N/Nc1nnnn1-c1cccc2ccccc12 4380204 QPHRVCPTIROREX-BUVRLJJBSA-N 394.438 4.423 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F 4406234 BMWNXJGSLDSXRS-UOXRKKOCSA-N 380.419 4.057 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(O)cc1 5023854 QQADXGXBJONJFG-QTBWCZOLSA-N 381.413 4.090 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1Cl 5713910 RKZHXUBUZKTYMH-UHFFFAOYSA-N 378.815 4.089 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cccc(F)c3c2C)n1 6606674 MYRBDNNYCMTZRR-NSHDSACASA-N 388.445 4.147 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 8969271 OZBFHUCIDNBOIA-FQEVSTJZSA-N 379.456 4.382 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 18192354 MBCZJNFOAJRFJN-PZJWPPBQSA-N 391.467 4.061 30 40 GIEB COCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 100329053 OULGCKWDCVQUPU-QNQNADBQSA-N 391.496 4.429 30 40 GIEB O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 100402083 HHJBBZVEZUPRHM-LAYLJFNGSA-N 391.283 4.293 30 40 GIEB Cc1cccc(CSc2nc(N)c(C#N)c(COc3ccccc3C)n2)c1 223683542 NBXWVKSXUMNOTD-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB COc1ccccc1NC(=O)COc1ccc(/C=N\Nc2ccccc2)cc1 409008100 TWEFLBSTKFJLFL-HAHDFKILSA-N 375.428 4.159 30 40 GIEB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 528927508 INIHQHVAWXZANT-JPYJTQIMSA-N 391.471 4.021 30 40 GIEB COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1Cn1cc([N+](=O)[O-])cn1 2734209 OEEFONJJIKCDCM-YVLHZVERSA-N 389.411 4.061 30 40 GIEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CC[C@@H](C)CC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027260 ZKHQMBPYBVPJKV-AJLIQWHYSA-N 385.548 4.158 30 40 GIEB biogenic COc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)c(C#N)cc2c1 4125440 NKQCDOYNEMERNS-UHFFFAOYSA-N 383.860 4.499 30 40 GIEB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4194160 GHYBVHDJMHODHH-OAHLLOKOSA-N 381.501 4.001 30 40 GIEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)O[C@@]2(O)CC(C)(C)CC(=O)[C@H]12 4666720 NMOVZZLGMACDGB-LEEZEASISA-N 398.499 4.146 30 40 GIEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 5860792 ZOCMQGWSCJSENO-MRXNPFEDSA-N 395.528 4.471 30 40 GIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc(Cl)nn3)c2C)cc1 5896738 VYQAWYWPKBKGAF-WSDLNYQXSA-N 397.866 4.160 30 40 GIEB N#C/C(=N\Nc1ccccc1C(=O)O)c1nc(-c2cc(F)ccc2F)cs1 6848437 FYUYRERKBYPDSM-BUVRLJJBSA-N 384.367 4.126 30 40 GIEB COc1cc(/C=N/c2ccccc2C)cc(I)c1OC 8570834 VCQKDTKXDMHLTD-VCHYOVAHSA-N 381.213 4.367 30 40 GIEB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OCC#N 15938690 NFVAQDJWKCHJOS-BOPFTXTBSA-N 385.345 4.414 30 40 GIEB O=C1/C(=C\c2ccc3c(c2)OCCO3)CCC/C1=C\c1ccc2c(c1)OCCO2 17197538 ULFBIHLWIVBRDI-MGYAYREDSA-N 390.435 4.449 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Oc2ccccc2)c1 28290231 WBVNVRQCGHUXHU-LJQANCHMSA-N 380.469 4.001 30 40 GIEB CC(=O)c1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 100507786 SGSVLUKXTLQAFT-LVWGJNHUSA-N 382.423 4.108 30 40 GIEB C#Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)c1 245224915 HXGHCEBGUYFSPZ-QIJUGHKUSA-N 390.458 4.219 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508299 CSBUEGHWYWGGEI-VLURJEAZSA-N 380.532 4.306 30 40 GIEB CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(OC(F)(F)F)c(C)c2)n1 599724694 NDZOSCCONMURKV-LLVKDONJSA-N 398.362 4.017 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)nc1 6548830 ZQYRWTMGGVWCBZ-VXLYETTFSA-N 380.389 4.056 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 13635097 RMIYAFUQIFXBPV-HXUWFJFHSA-N 375.428 4.063 30 40 GIEB O=c1cc(/C(O)=N/c2nc(SCc3ccccc3)ns2)c2ccccc2[nH]1 13777935 SDHZDUBDYHRVKH-UHFFFAOYSA-N 394.481 4.308 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14397382 WFBGYACWDLVRDB-HNNXBMFYSA-N 386.879 4.279 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1OC(C)=O 59459412 FHNXVMDANYKKCR-ODLFYWEKSA-N 396.468 4.129 30 40 GIEB C=CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C 227116518 MJHWFVMSDKXIIT-UHFFFAOYSA-N 382.279 4.123 30 40 GIEB COc1cccc(/C=N\c2ccc(C)cc2Br)c1O[C@@H](C)C(=O)O 409235129 ALZHJWJZPHCSBG-XGTDKWECSA-N 392.249 4.369 30 40 GIEB C#CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409302219 ICWQNZSXVMTXCO-UHFFFAOYSA-N 385.467 4.338 30 40 GIEB N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccc2c(c1)OCO2 794763 PXHMZTCODFAQJK-UHFFFAOYSA-N 383.791 4.119 30 40 GIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 798048 SLJCSTXMCSCYNT-FQEVSTJZSA-N 388.423 4.070 30 40 GIEB C(=N/N=c1/[nH]c2ccccc2s1)\c1cccn1CCCOc1ccccc1 4671874 GZQJWTRXSIOWAC-CJLVFECKSA-N 376.485 4.435 30 40 GIEB COc1cccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 4849156 VKPOZLWYFWLJKR-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB Clc1cc(Cl)c(N/N=C/c2ccc(N3CCOCC3)s2)nc1Cl 6251596 KSOQGFRROULARI-QGMBQPNBSA-N 391.711 4.386 30 40 GIEB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(C#N)cc1 6335436 NSKCUANUPQUCCY-UHFFFAOYSA-N 380.835 4.312 30 40 GIEB O=C1Nc2ccccc2/C1=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1 8652596 HCBRRTGQDUCUEJ-RWEWTDSWSA-N 396.475 4.463 30 40 GIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1[C@H](C)Oc1ccccc1 9095781 IIRFKABMGUYZCS-HNNXBMFYSA-N 392.484 4.285 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cccc1OC 12238113 ZIDIXLVNOMAIQS-QRQCMCJISA-N 397.490 4.414 30 40 GIEB O=C1C(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)=CO[C@@H]2C=CC=C[C@@H]12 17081787 KRHIIDNTJUAOIM-OBJFJUPRSA-N 399.855 4.013 30 40 GIEB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 19535736 LZPFGFSGHZBJCD-HXUWFJFHSA-N 383.488 4.251 30 40 GIEB N#CC1(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CCCCC1 32819454 WFLQQDPBLDTMSC-UHFFFAOYSA-N 394.441 4.060 30 40 GIEB N#C[C@H](C(=O)Nc1cccnc1Cl)c1ncc(C(F)(F)F)cc1Cl 89773191 IGAFMPWZWITWKC-QMMMGPOBSA-N 375.137 4.048 30 40 GIEB C[C@H](Nc1nc2nonc2nc1N/N=C/c1c[nH]c2ccccc12)c1ccccc1 98086411 PMLRSLKLESYMHL-ZXCVBSDHSA-N 398.430 4.113 30 40 GIEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21 223756903 YPFLVTVDHTXFBM-JWGURIENSA-N 375.856 4.066 30 40 GIEB COc1cc(/C=N\c2ccccc2O)ccc1OCc1cccc(C(=O)O)c1 408819680 RDPUWGHXUFIVGO-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1occc1C 409324374 SHECUHFGLHBYFO-UHFFFAOYSA-N 388.265 4.285 30 40 GIEB Cc1ccc(Sc2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1 409365113 XMGKPSYGXUXWLP-UHFFFAOYSA-N 377.425 4.037 30 40 GIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2209286 DLJSYBWAKFDOSD-UHFFFAOYSA-N 381.439 4.086 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 5025687 HDKRICRDGRISIS-FDJFIASXSA-N 381.501 4.248 30 40 GIEB CCOc1ccc(/N=C/c2cc(I)c(O)c(OC)c2)cc1 6962312 GWLVIEBAZGBDMD-VCHYOVAHSA-N 397.212 4.155 30 40 GIEB Cc1cccc(C[C@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)c1 13477835 KKGUJSQIPFKPKN-OAHLLOKOSA-N 375.291 4.219 30 40 GIEB Sc1nnc(-c2cccs2)n1/N=C/c1ccc(COc2ccccc2)o1 36611367 QOBMKRVROKJKTI-YBFXNURJSA-N 382.470 4.350 30 40 GIEB N#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 40155813 AQCDGAHESXNELB-UHFFFAOYSA-N 388.798 4.073 30 40 GIEB NC(=S)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 58822905 SSCQKZYDFMSZRS-ODCIPOBUSA-N 377.300 4.164 30 40 GIEB N#Cc1cn(CCc2nnc(-c3ccccc3)o2)nc1-c1cccc(Cl)c1 72238854 BAYQLJVMCGRIQY-UHFFFAOYSA-N 375.819 4.368 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 78549935 LQFXQCBQMXECKJ-FQEVSTJZSA-N 397.446 4.219 30 40 GIEB CCCOc1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1OC 95997445 MIGJDHBDKWUOKD-GQCTYLIASA-N 389.498 4.486 30 40 GIEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccn1 103371449 MUEQCAYVPHEZMR-JHYRDONDSA-N 386.427 4.182 30 40 GIEB COc1ccc(OCc2nc(SCc3cccc(C)c3)nc(N)c2C#N)cc1 223695388 TULLKSIYRRBNEU-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB COc1ccc(-c2csc(N/N=C/c3ccn(CC(F)(F)F)n3)n2)cc1 225391271 CWMGRPBXTRABNR-DNTJNYDQSA-N 381.383 4.024 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2)C2=C(C[C@H](C)CC2=O)N1 4802795 RNZZVEPQMLHITI-NYHFZMIOSA-N 387.483 4.243 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 5157680 DIJKNMOLRVCFHV-WXFUMESZSA-N 393.483 4.094 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 6781552 GSSPODMFMKGDIV-LJQANCHMSA-N 397.471 4.192 30 40 GIEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\[C@@H](C)CCCC(C)C 8687977 SMHHZXHLHHRDSU-HNNXBMFYSA-N 385.599 4.158 30 40 GIEB COc1cc(-c2c(C)c(-c3ccc(F)cc3)nc(N)c2C#N)cc(OC)c1OC 20518039 NHHPZYATCGHANJ-UHFFFAOYSA-N 393.418 4.343 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccc(C(=O)O)cc1 35657244 BGIBOYUTKAOQJD-DLTWUOELSA-N 395.484 4.075 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 36611405 ZKKWBRPYGBRDFH-UFWORHAWSA-N 397.287 4.490 30 40 GIEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 100711447 UGFKYYFQVNJBKL-VCHYOVAHSA-N 397.303 4.117 30 40 GIEB COC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795729 RNUVBJRAVQTBJO-UHFFFAOYSA-N 390.120 4.211 30 40 GIEB Cc1ccc(CSc2nc(N)c(C#N)c(COc3ccccc3C)n2)cc1 223683634 QRTVDTKLHCIMAV-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 408723830 SJMNJVXYUXBYDL-XDHOZWIPSA-N 392.411 4.089 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 1529314304 BBQKUOPRSPNSMM-WCLFCZKGSA-N 392.458 4.380 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2c(C)ccc(C)c2C)c(C#N)c1C 783743 GNQJSDLRZCAOCH-UHFFFAOYSA-N 386.473 4.048 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(C)cc1 2443527 ODXUCGCPNYMROJ-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 4385546 KJRSDWVJNUQKFH-IVZQSRNASA-N 382.423 4.440 30 40 GIEB CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)OC)cc2)N(C)C1=O 4649366 CAMDNARPPKQESK-VJGKAAADSA-N 396.468 4.106 30 40 GIEB Cc1c(Cc2ccccc2)c(NCCCCO)n2c(nc3ccccc32)c1C#N 4786394 NBRKLBNASLWKMZ-UHFFFAOYSA-N 384.483 4.443 30 40 GIEB COc1ccc([C@@H]2CC(=O)N/C(=N\c3ccc(Cl)cc3F)S2)cc1OC 5703578 SXYSEUPKKIFRCL-INIZCTEOSA-N 394.855 4.478 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1F 6200422 QRHFKWARIHLGAV-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB Cc1c(C#N)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(C2CCCC2)c1C 12257104 MBZUTNHDNHWJEG-UHFFFAOYSA-N 382.420 4.017 30 40 GIEB N#Cc1c(-c2ccc(F)cc2)nc2n(c1=O)CN(c1ccc(Cl)cc1)CS2 13690191 KPBOVISHUAEBAS-UHFFFAOYSA-N 398.850 4.102 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 33916034 ZDGAPVBAKDJXBQ-YGAJUMRDSA-N 399.491 4.469 30 40 GIEB Cc1ccc(CN(CC(=O)NC2(C#N)CCCC2)[C@@H]2CCc3ccccc32)cc1 48303383 MOWGJVUHPHOSGM-HSZRJFAPSA-N 387.527 4.437 30 40 GIEB Cc1cc(C)c(C#N)c(OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 96258756 JRCIVHSKONBITE-UHFFFAOYSA-N 377.419 4.378 30 40 GIEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C[n+]1ccccc1 238900517 JCXKLDMPWBYJSG-KBAYWNPVSA-N 394.579 4.483 30 40 GIEB N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1 934581 WLUMHQSQNVSEBQ-UHFFFAOYSA-N 376.254 4.268 30 40 GIEB aggregator C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 3351310 DGHMILOFHUGZHC-UHFFFAOYSA-N 397.456 4.045 30 40 GIEB C=CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc(-c2ccccc2)cs1 3558702 ZOXUDANYCVUJLB-LJQANCHMSA-N 378.453 4.169 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4894811 VABUHLNQUYXVKQ-HYARGMPZSA-N 391.383 4.269 30 40 GIEB CSc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 6047882 JBXJWOMFQTXWAJ-AWNIVKPZSA-N 387.526 4.089 30 40 GIEB CCn1c(SCC(=O)Nc2c(C#N)oc3ccccc23)nc2ccccc21 7982690 ZNVJAFUKTXYYEI-UHFFFAOYSA-N 376.441 4.405 30 40 GIEB O=C1/C(=C2/CCCCCCN2)C(/N=C2\CCCCCCN2)=NN1c1ccccc1 8132317 VHHAHIQTWYUHOP-VZCXRCSSSA-N 393.535 4.107 30 40 GIEB CC1=NN(c2ccccc2)C(=N)/C1=N\Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 8299764 BRPNVKHTKJAKPF-GFQAQHPMSA-N 390.325 4.255 30 40 GIEB COc1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cc(OC)c1OC(C)=O 9612944 FYZSGFVHARSWJC-SRZZPIQSSA-N 397.456 4.037 30 40 GIEB Cc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)o1 13771047 LXYZPRVINABIOU-MTJSOVHGSA-N 390.391 4.326 30 40 GIEB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3SCC#N)ccc(F)c21 14122270 DMKMXXGKFSWSAW-LBPRGKRZSA-N 384.432 4.149 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 17861146 JZCUYVHFUAQYEL-FQEVSTJZSA-N 383.488 4.340 30 40 GIEB N#Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984120 WEQUFWIPYKXBKF-UHFFFAOYSA-N 386.432 4.208 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccccc2Cl)S/C1=N/N=C/c1ccccc1 33757632 KAMZLFBKJXAXFK-NNPDONQDSA-N 383.904 4.403 30 40 GIEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 225048792 BMHCKZIZMXXUKO-UHFFFAOYSA-N 381.453 4.008 30 40 GIEB C=CCOc1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 225746768 BQFFTSHTBLONAP-UHFFFAOYSA-N 381.545 4.381 30 40 GIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1 409031641 HVCLCXINZQCMFC-HKWRFOASSA-N 394.496 4.255 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C(=O)O)cc1 409055367 LAANQZFYHYHZRV-WBCKRXDOSA-N 396.468 4.326 30 40 GIEB C#CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OC 409118674 QHVIUJPGQDWTOD-UHFFFAOYSA-N 390.277 4.481 30 40 GIEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccc(F)c1)CC2 1100019 WQAPUNMLFUFGDW-XSFVSMFZSA-N 378.197 4.104 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 4119653 GEMSDVYZWVGUAM-TZIWHRDSSA-N 379.412 4.223 30 40 GIEB C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1nnc(CC)s1 16689562 GPAXHWMSVLSRJZ-WDVBIPTLSA-N 382.514 4.447 30 40 GIEB N/C(=N\c1nc(=O)cc(-c2ccccc2)[nH]1)Nc1ccc(Oc2ccccc2)cc1 20503076 OWHBZEQCMWHAAS-UHFFFAOYSA-N 397.438 4.288 30 40 GIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 22608322 LSUJEBPDDRYGCQ-DJJJIMSYSA-N 397.548 4.114 30 40 GIEB CCCCCOc1ccc(CN2C(=O)/C(=N/O)c3cc(C)ccc32)cc1OC 39853929 WKIAZTPHQLIBJK-XTQSDGFTSA-N 382.460 4.298 30 40 GIEB COc1ccc(O)c(/C=N/N=C2/c3ccccc3-c3nc4ccccc4nc32)c1 59488021 IFTDARCOSQRBLB-VVDWQQFKSA-N 380.407 4.196 30 40 GIEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 224734232 YTGNMUNGHLPFPB-UHFFFAOYSA-N 388.233 4.109 30 40 GIEB Cc1c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc2n1CC(C)(C)C 409360619 QPRRQPMBIOSTMG-UHFFFAOYSA-N 388.471 4.294 30 40 GIEB CCc1ccc2nc(SCC(=O)Nc3ccccc3OC)c(C#N)cc2c1 4848946 SWJFEEQVIBCLBU-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB O=C1C(=O)N(c2ccc(C(=O)O)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 5596000 JTVXKAYDJPVQMH-YDJIHCHBSA-N 399.402 4.011 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nnc1-c1ccncc1 6908759 FRNIHQDERVNRLU-OAHLLOKOSA-N 394.500 4.288 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 8022162 KVVCWYFMAIHEQQ-HXUWFJFHSA-N 379.456 4.080 30 40 GIEB C=C(C)Cn1nc(OCC)n(C2=C(c3ncn[nH]3)C3=C(CC[C@@H](C)C3)C2)c1=S 26961184 CLBDWAMFARKDMH-CYBMUJFWSA-N 398.536 4.396 30 40 GIEB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C1 36396315 FMNQGRWINUEGBF-LJQANCHMSA-N 375.516 4.039 30 40 GIEB CC(=O)O[C@@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 55243883 HJMJDULWIZHBIX-RPWUZVMVSA-N 376.500 4.177 30 40 GIEB biogenic O=C1CCCC(O)=C1[C@@H](c1ccc(Br)cc1)C1C(=O)CCCC1=O 101674137 RIZHCTXLOJJSDW-KRWDZBQOSA-N 391.261 4.036 30 40 GIEB CC(C)Oc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1 409052795 IDIMPVAVNDXROA-ZIKOHYJISA-N 396.468 4.406 30 40 GIEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl 647685 NWLKQJHZQIHUTK-CQSZACIVSA-N 396.270 4.094 30 40 GIEB CCc1ccc(C2=C[C@@H](c3cccc(Br)c3)[C@H](C#N)C(=O)N2)cc1 1085420 FFUAQRYDYXRHLM-ROUUACIJSA-N 381.273 4.406 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 4485643 XUAOIRQPHHHSHK-ZDUSSCGKSA-N 381.457 4.070 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1 4736623 OZKALOWGNDEIQT-VGSWGCGISA-N 386.455 4.011 30 40 GIEB Cc1cc(C)c2nc(SCC(=O)NCCc3ccccc3)c(C#N)cc2c1 4849145 KTRKHMXWPMTBCU-UHFFFAOYSA-N 375.497 4.174 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 5186413 JRVRNBYUKIAXTL-FGEXJBCWSA-N 390.442 4.129 30 40 GIEB COc1ccc(/C(C)=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)c(O)c1 5788218 ZSVURTJCOLZFBS-AWQFTUOYSA-N 384.288 4.418 30 40 GIEB CCOC(=O)/C(=N/CCC(C)C)NNc1cc(C(F)(F)F)ccc1Cl 6758054 NIBHDEMCLVIWKX-UHFFFAOYSA-N 379.810 4.283 30 40 GIEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCCCCC2)c1 8181515 JKNISCLRLXPXSB-UHFFFAOYSA-N 393.512 4.305 30 40 GIEB COc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 12390926 JZHLIXPDBLLABF-PCANVONCSA-N 382.847 4.211 30 40 GIEB CC(C)OC(=O)CC/C(=N/Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)C 14543947 SLCWUHZJTASQHM-QNGOZBTKSA-N 389.279 4.445 30 40 GIEB N#Cc1ccc(Oc2ccc(NC(=O)NCCCn3cccn3)cc2Cl)cc1 56750848 BKTHMVCUYXTJCD-UHFFFAOYSA-N 395.850 4.412 30 40 GIEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 95533043 PXLSRJKJVODEMP-CEXWTWQISA-N 394.600 4.478 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1O 408600115 UTMXYUJZTSZBDS-UHFFFAOYSA-N 394.500 4.184 30 40 GIEB O=S(=O)(NCc1ccc(/C=N/c2ccc(F)cc2)o1)c1ccc(Cl)cc1 408777085 VJHZIUNLMLNVNL-SRZZPIQSSA-N 392.839 4.301 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccccc1OCc1ccccn1 524730435 JALHGOONHNGSEV-QGZVFWFLSA-N 377.440 4.334 30 40 GIEB biogenic COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 974267 MEQRVCMWCLVXAP-RTXGADQUSA-N 398.409 4.196 30 40 GIEB C=CCNC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCCC2 2708777 DCXCVBJCLLEYIA-UHFFFAOYSA-N 384.501 4.194 30 40 GIEB CCOCCC/N=C1/SC[C@H](CC)N1C(=O)c1ccccc1Br 6046239 ZZMZMEVUHNVXQG-BQOWYSNXSA-N 399.354 4.199 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)COc1ccc2cc(Br)ccc2c1 6643822 ANBDHIMKJICYKQ-SFHVURJKSA-N 375.266 4.036 30 40 GIEB CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)C1(C#N)CCCCC1 8538031 NVXFJHCLPYJJRW-UHFFFAOYSA-N 391.471 4.003 30 40 GIEB O=C(O)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12468122 BGVOSNVQWAJEBO-ONUIUJJFSA-N 397.478 4.106 30 40 GIEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 17860918 DQWCDZAMVHJHKI-JOCHJYFZSA-N 388.467 4.307 30 40 GIEB COc1cc(/C=N/O)ccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 40142969 JIJNHPVSHUABKD-ZRWQFTNJSA-N 390.439 4.051 30 40 GIEB CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)[C@H](C)c1ccc(C#N)cc1 69349168 CXDGZTXZRKMKQS-YLJYHZDGSA-N 380.492 4.081 30 40 GIEB Cc1ccccc1S(=O)(=O)/N=C(\O)c1cc(Cl)ccc1Br 97465349 CURXZSFJROJCBL-UHFFFAOYSA-N 388.670 4.104 30 40 GIEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N\c2ccc(N3CCOCC3)cc2)o1 101746987 ZEEGTNRNUDHXSM-JCMHNJIXSA-N 377.400 4.442 30 40 GIEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1 225061881 URHOVOICIJUKTJ-UHFFFAOYSA-N 382.441 4.438 30 40 GIEB COc1c(OC(C)=O)ccc(/C=N/c2sc3c(c2C#N)CCCC3)c1[N+](=O)[O-] 408719972 IETVOLXNGMVOLG-UFFVCSGVSA-N 399.428 4.091 30 40 GIEB COc1cc(/C=N\c2ccc(N(C)C)cc2)ccc1OCc1ccc(C(=O)O)o1 409386999 YKRARLBGCUGXMK-QRVIBDJDSA-N 394.427 4.382 30 40 GIEB CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccncc1 1440465 SOPWPCRVFCYNPA-UHFFFAOYSA-N 382.460 4.032 30 40 GIEB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C#N)c4)nccn3n2)cc1 17051634 YLPXRSVHIFZPQV-UHFFFAOYSA-N 399.479 4.307 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c(C)[nH]c2ccccc12 408790286 VLOUKFKQTIZPCC-HXUWFJFHSA-N 384.435 4.218 30 40 GIEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3c(C)cccc3C)N(C)C2=O)c1 1024194 FBNICSGIIJKYMF-JEBJBBSMSA-N 381.501 4.202 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1F 1079897 ABVFVPVYZVJTGR-HNNXBMFYSA-N 398.365 4.401 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1 1715474 HXNGKNHTSAKUIB-PTPJHEKOSA-N 376.481 4.391 30 40 GIEB CC1=CC(=O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 4080967 HIQLOIOGTRDMIW-QSOCRCLWSA-N 396.483 4.120 30 40 GIEB endogenous,in-man N#Cc1c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2c1CCC2 4150738 ZCJVYVNXYLCXBB-CNHKJKLMSA-N 392.234 4.235 30 40 GIEB C/C(=N\Nc1cc(C)nc(NCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 4837194 ATJUNONAFUICSE-BUVRLJJBSA-N 376.420 4.141 30 40 GIEB Cc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(Br)cc1 7737962 YQRJSKZHSGCWHQ-DJKKODMXSA-N 381.657 4.400 30 40 GIEB COc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCCO2 12769027 OUMVQGKXEAQOKO-CZCYGEDCSA-N 393.395 4.205 30 40 GIEB Cc1ccc(-c2c[n+](CC(=O)Nc3cc(Cl)ccc3C)c3n2CCC3)cc1 17206706 WDCZUONGRFLUEH-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 23437778 TUDDEHLVRJYLAT-UHFFFAOYSA-N 395.506 4.107 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1C1CCCCC1 24975106 BQQJMTFLGYFUOX-UHFFFAOYSA-N 399.564 4.309 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1 31707938 QVJNUVDMSLDBFC-UHFFFAOYSA-N 387.823 4.191 30 40 GIEB Cc1ccc([C@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N(C)C)cc1 40373946 OBFPQKZQCXYMNQ-IBGZPJMESA-N 391.431 4.145 30 40 GIEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCC 59135508 FPFBHDFJNFCFTA-QGOAFFKASA-N 394.402 4.460 30 40 GIEB COc1cccc(/C=C(\C)c2cc(=O)n3c([nH]c4ccccc43)c2C#N)c1OC 102909505 HHEOWHDLGHXXRY-SDNWHVSQSA-N 385.423 4.230 30 40 GIEB O=C(OCCC(F)(F)C(F)(F)Br)OCC(F)(F)C(F)F 169795815 HPQTXFHIFRZNKD-UHFFFAOYSA-N 383.029 4.053 30 40 GIEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224719923 GPBGQWKDAZGPCB-UHFFFAOYSA-N 393.892 4.206 30 40 GIEB C=CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 226328894 LCGGHHINFSRGII-UHFFFAOYSA-N 377.234 4.380 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc1 408751047 VSNPGTQXYCYEIO-DJKKODMXSA-N 387.739 4.257 30 40 GIEB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)cc1 409253488 VBOKFBBFEYTPPC-UDWIEESQSA-N 383.407 4.220 30 40 GIEB C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N 590989849 OYUSRATWIHTCGH-GXSJLCMTSA-N 375.188 4.124 30 40 GIEB CCCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 2283643 YWRJVEYPAXUTLC-UHFFFAOYSA-N 376.551 4.194 30 40 GIEB COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc(OC)c1 4848996 QESVBDGREDOOGA-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB COc1ccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c(OC)c1 4944881 VBTQVEPYJNDYCF-GOSISDBHSA-N 377.440 4.231 30 40 GIEB CCOc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 5967632 XBBWMMBAPFWDDT-MFOYZWKCSA-N 375.218 4.473 30 40 GIEB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8103638 UYNOWKMARHAOJT-WBVHZDCISA-N 391.496 4.341 30 40 GIEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)[nH]2)cc1 9199520 YQXOQTGSXMDATQ-UHFFFAOYSA-N 391.500 4.372 30 40 GIEB O=C(Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)oc1=O)c1ccccc1 9453167 OQPNDTLZZNMIPO-UHFFFAOYSA-N 383.219 4.182 30 40 GIEB CC(C)CN1/C(=C\c2cccc3[nH]ccc23)C(=O)c2ccccc2S1(=O)=O 9481273 CPPJILFJAZAPOI-UNOMPAQXSA-N 380.469 4.052 30 40 GIEB C=CCN1C(=O)N(C2CCCCC2)[C@@H](N(O)C(=O)NC2CCCCC2)C1(C)C 13763594 VOESJHBHTXGNHH-SFHVURJKSA-N 392.544 4.081 30 40 GIEB Cc1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)NCc2cccs2)c1C#N 32117751 UYIALDVLVFDFPP-JTQLQIEISA-N 385.436 4.139 30 40 GIEB Cc1cccc2c1NC(=O)/C2=N\Nc1nc(-c2ccccc2)c2ccccc2n1 46085378 XYYVIZGIRNRULW-UHFFFAOYSA-N 379.423 4.374 30 40 GIEB N#C[C@@H](C(=O)Nc1cccnc1Cl)c1ncc(C(F)(F)F)cc1Cl 89773193 IGAFMPWZWITWKC-MRVPVSSYSA-N 375.137 4.048 30 40 GIEB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)NC1CCCC1 103851198 ZNGUVQPWLCXEBG-NSHDSACASA-N 393.921 4.215 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C(=O)O)cc1 4682165 PRLXAJAUPAFILS-MSYUKONTSA-N 382.441 4.017 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC 4918630 RPXJXVSRNFJRSB-NQIIRXRSSA-N 398.430 4.162 30 40 GIEB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(Br)cc1 5551195 HVYXQPYSFPVCPB-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 6739906 DRFULZKMGXJMFX-HXUWFJFHSA-N 393.483 4.209 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Br 7058227 OUSMGLSRFFNNRE-QPJJXVBHSA-N 377.234 4.371 30 40 GIEB N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 8000865 OASMXVYSHPSWHN-HXUWFJFHSA-N 379.510 4.267 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(F)c1)c1ccccc1 8465754 YJCMCNCTESFGPL-FQEVSTJZSA-N 389.382 4.314 30 40 GIEB C=CCn1c(S[C@H](CC)C(=O)Nc2ccccc2F)nnc1-c1ccncc1 20173340 JGJMPPLGAKXABW-QGZVFWFLSA-N 397.479 4.175 30 40 GIEB CCOc1ccc(/C=N/N=C(\N/N=C/c2ccc(OCC)cc2)SC)cc1 100930591 LRQMXEZAUBJOMS-NNFYUIBOSA-N 384.505 4.161 30 40 GIEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144684437 QPHJZWNRHNZWBL-WSDLNYQXSA-N 387.892 4.146 30 40 GIEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)cc3C#N)CCCCC2)cc1 225768655 PWEYWKBBNVRBEG-UHFFFAOYSA-N 392.455 4.333 30 40 GIEB CC(C)CCN1CC(F)(F)C[C@]2(CCCN(c3cccc(C#N)c3)C2=O)C1 306140720 VBZBBYANGXFMER-HXUWFJFHSA-N 375.463 4.059 30 40 GIEB COc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)c(OC)c1 408722322 HFHUDRXNKWDNNB-UFFVCSGVSA-N 382.441 4.479 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 409247827 BOMOWJMEAWQFKL-UHFFFAOYSA-N 376.497 4.391 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 6869736 RTZSPYOJNIGZRF-UYRXBGFRSA-N 397.500 4.139 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 6995747 NUUUXIIEYXLQHH-PXLXIMEGSA-N 396.468 4.217 30 40 GIEB Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)CCC#N)c2=S)cc1C 25156905 WKVWNLCUJDDEAY-UHFFFAOYSA-N 377.517 4.490 30 40 GIEB O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCOc1ccccc1Cl 46084901 BPLKHAYMFFSTFW-ZHZULCJRSA-N 385.634 4.251 30 40 GIEB COc1ccc(O)c(/C=N/c2ccc(N3CCOCC3)cc2C(F)(F)F)c1 59475488 VWCOKFUWAQMELR-FSJBWODESA-N 380.366 4.007 30 40 GIEB C[C@H]1C[C@@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C(=O)O1 84686122 WVDMZXPOJJZHID-ISVAXAHUSA-N 384.404 4.497 30 40 GIEB Oc1ccccc1/C=N/c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 95471413 MSFWMLHQGIQNQF-ZVBGSRNCSA-N 389.362 4.328 30 40 GIEB FC(F)(F)OC(F)(F)[C@@](F)(Br)C(F)(F)Br 100045405 XBBIHHOYLHDMRA-PVQJCKRUSA-N 375.835 4.164 30 40 GIEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776522 BLDQWDHPHXIHLL-UHFFFAOYSA-N 382.435 4.171 30 40 GIEB CCCCCCCCCCCCNC(=O)c1c(O)n2cccc(C)c2nc1=O 226822367 ZWOBVBCIJYHILN-UHFFFAOYSA-N 387.524 4.359 30 40 GIEB CC1(C)OB(c2ccccc2COc2ccc(OC(F)(F)F)cc2)OC1(C)C 2297736032 JUWGIWSALYAZBJ-UHFFFAOYSA-N 394.198 4.463 30 40 GIEB OC(C#C[C@@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1 2379339 KRPAZWWYUJDRQK-JOCHJYFZSA-N 382.381 4.376 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)no1 5800488 RWUBZBBYHSCLTN-GOSISDBHSA-N 396.349 4.044 30 40 GIEB N#CCCN(C(=O)COC(=O)C1(c2ccccc2F)CCCC1)c1ccccc1 6566631 DALOGDVZHXWUCW-UHFFFAOYSA-N 394.446 4.128 30 40 GIEB O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccc(F)c(F)c1 22756383 PNFOJBLMNQOFFK-UHFFFAOYSA-N 375.421 4.227 30 40 GIEB C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2sccc2c1=O 24767268 RTDRVGWUCMJEFG-SNVBAGLBSA-N 376.507 4.178 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2cc1OC 34791616 UUBBXIZEEAJYTO-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB COc1cc(OC)c(C2=CCN(Cc3ccc(C#N)cc3F)CC2)c(OC)c1 53898488 NANLVFVDTTWMIY-UHFFFAOYSA-N 382.435 4.012 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(F)cc1 101315428 RTLPBYJEMADABF-OPURJYLOSA-N 380.419 4.057 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1 101650809 BGPVMXFKAFLVCZ-KHOFPDMRSA-N 381.501 4.148 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCN21 102346425 YJIXINHNAUQTTF-QPPBQGQZSA-N 394.482 4.044 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 102532785 DOQVKLIILKZADR-MRJHHRETSA-N 384.435 4.325 30 40 GIEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C3CCCCC3)n2)cc1 223663191 GMXKIEMBEQJSBR-UHFFFAOYSA-N 382.489 4.057 30 40 GIEB N#C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495908 GSLJDNRDKBGXJH-OAGGEKHMSA-N 396.693 4.182 30 40 GIEB C=CCNC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257302978 SFGVUNQDOSCRBB-UHFFFAOYSA-N 383.463 4.143 30 40 GIEB Ic1ccc(-c2ccc(/C=N\Nc3ccccn3)o2)cc1 408730359 QBGDEVUIYBSBAH-ODLFYWEKSA-N 389.196 4.392 30 40 GIEB CCCN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409031557 HIGGVTZRBNMNOK-UHFFFAOYSA-N 380.444 4.418 30 40 GIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409295349 DINKNBPSMFYKIA-UHFFFAOYSA-N 390.306 4.400 30 40 GIEB Cc1ccc(O)c(C(=O)C2=CSc3nnc(-c4ccc(Cl)cc4)n3N=C2)c1 988390 GYAZHCJEEIIEQQ-UHFFFAOYSA-N 396.859 4.319 30 40 GIEB Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)N[C@@H]1CCc2ccccc21 1709435 VUSKLHYALKQAMN-UPWAIKHBSA-N 380.300 4.185 30 40 GIEB O=C(ON(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 3065581 INJDCXKYEPZJHL-UHFFFAOYSA-N 387.844 4.307 30 40 GIEB CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CCC2 4285221 LEHYKELVFKDTGU-OAQYLSRUSA-N 383.488 4.397 30 40 GIEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 4475043 CRWMKVCGMZDMIO-SXGWCWSVSA-N 388.217 4.126 30 40 GIEB Cc1occc1-c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)o1 5968395 GOPJSRLYTZGLOM-UHFFFAOYSA-N 392.440 4.481 30 40 GIEB C=CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7495681 ZFWMZYLNHGYEOI-UHFFFAOYSA-N 390.405 4.233 30 40 GIEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN(C)C)C2=O)c2cc(OC)ccc21 20648622 JSEPUGKHDQIZFO-UFFVCSGVSA-N 392.455 4.053 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 23112208 VMYFGAVBWVEYAH-HXUWFJFHSA-N 384.911 4.363 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)C2(C#N)CCCCC2)n1 24284788 ZQEICSMGYNFIEM-UHFFFAOYSA-N 396.438 4.057 30 40 GIEB C=C(Br)CNC(=O)c1cccnc1Sc1ccc(C)cc1C 58418699 TXOWXJSRJXKVNR-UHFFFAOYSA-N 377.307 4.488 30 40 GIEB CC(C)=N/N=c1\[nH]c2cc(C)c(NC(=O)COc3ccccc3C)c(C)c2s1 72228768 KMXGMMUCMAHWDT-UHFFFAOYSA-N 396.516 4.469 30 40 GIEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)n2ncc(C#N)c2N1 72332730 WWGNOAKQSXLSNC-IBGZPJMESA-N 389.846 4.336 30 40 GIEB C#CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OCC)c1 226328900 IYTAZHFUZWLQEZ-UHFFFAOYSA-N 389.245 4.217 30 40 GIEB O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)Nc1ccccc1 408574765 CVXRFHHBHGRXBQ-UHFFFAOYSA-N 383.403 4.167 30 40 GIEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 409343668 FOZXJFXTPAHPFE-OCKHKDLRSA-N 376.890 4.113 30 40 GIEB Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(C#N)cc5)o4)c(=O)n3c2cc1C 409394167 WRBBZQPJHPMWFJ-NHDPSOOVSA-N 397.459 4.205 30 40 GIEB C[C@@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083811062 RFFZJWLVXXMBNV-BYPYZUCNSA-N 385.148 4.357 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c1 3276347 XTAMMOSUKYZFRV-GZTJUZNOSA-N 394.477 4.404 30 40 GIEB CCN(CC)c1nc2nc(C)[nH]c3nc4c(c(c1C#N)c23)C[C@@H](c1ccccc1)O4 3358612 OJEAXBBAZLYBOG-KRWDZBQOSA-N 398.470 4.209 30 40 GIEB CC1(C)CN(c2ccc(C(=O)C/C=N/OCc3ccc(Cl)cc3)cc2)C1=O 4042188 MMIKQDLKKGZJFU-FSJBWODESA-N 384.863 4.488 30 40 GIEB COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 4848993 NGPSHOYDTASNRE-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/C(Br)=C/c2ccccc2)c([N+](=O)[O-])c1 5278413 RVLRHGCXCBZYRW-UDTGVAFUSA-N 391.181 4.337 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2cccc(F)c2)cc1 5409086 WCTYGENCLCWVFC-HXUWFJFHSA-N 388.398 4.312 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1 5577287 DHYRQUDRZHVJPH-UHFFFAOYSA-N 379.416 4.187 30 40 GIEB biogenic CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1 7126864 YBVZYBTZYNYQAI-QGZVFWFLSA-N 381.501 4.059 30 40 GIEB Cc1cccc(C)c1OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 9304721 MPVAWELGUOGHSS-UHFFFAOYSA-N 377.444 4.252 30 40 GIEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)cc1 12412076 NGHLDXKRPJOVJD-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 16995293 ZRIJEZJWHILNFX-XOBRGWDASA-N 394.837 4.486 30 40 GIEB COc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc2sc(=O)oc12 33762094 JSBJVDYLHJLLRE-IPBDZQFASA-N 390.289 4.005 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 100439972 SKWNEIQYLIPJAF-WOOAAIBNSA-N 390.826 4.361 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 102877337 NQBBEOZXHSOONS-NHFXJNLRSA-N 397.471 4.170 30 40 GIEB CC[N+]1(C)CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)/C=C\c2ccccc2)C1 104274321 ZHAKLYFQWBJDPB-FFTDMEADSA-N 376.520 4.200 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]5(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118936556 DQUBYFKUBFHVEG-HMDCLCHXSA-N 387.520 4.479 30 40 GIEB CCOc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408851802 GHGZDZJWOYIKCF-UNOMPAQXSA-N 379.254 4.028 30 40 GIEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2ccccc2s1 1036091 SZDJEZBBEOHRTC-UHFFFAOYSA-N 391.481 4.084 30 40 GIEB C/C(=N\N=C1/N=C(O)[C@H](CC(=O)NCc2ccccc2)S1)C1CCCCC1 4820326 XZTKHVAVZUXPCN-QIWJOQEQSA-N 386.521 4.077 30 40 GIEB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 4848994 GPSIMLAAKLSUNN-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6656764 JGDYSKANGAYDEF-LBPRGKRZSA-N 399.541 4.270 30 40 GIEB COc1ccc(-n2c(SC[C@@H](C)C#N)nnc2-c2ccccc2)cc1OC 7035299 PUYPBSQNONZNDC-AWEZNQCLSA-N 380.473 4.203 30 40 GIEB C=CCn1c(SC2=CS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 9145318 MBCYKWZTYHMXNN-UHFFFAOYSA-N 381.482 4.009 30 40 GIEB C#CCn1cc(CN2CCC(n3c(=O)oc4ccccc43)CC2)c2ccccc21 12143884 KKKZEZYVGVNAIH-UHFFFAOYSA-N 385.467 4.020 30 40 GIEB CCc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 14165000 LPZDHVAEASJYTE-QFYYESIMSA-N 376.382 4.127 30 40 GIEB C#CCOc1ccccc1CN(Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 36740519 GNBGSSCHYRUSIY-UHFFFAOYSA-N 391.559 4.405 30 40 GIEB Cc1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)cc1 59387025 ADFRPOBYTRCXED-UHFFFAOYSA-N 387.280 4.388 30 40 GIEB COc1ccccc1OCC#CCNC(=O)C(c1ccccc1)c1ccccc1 90610380 ZJFNLVKSHYZKBN-UHFFFAOYSA-N 385.463 4.026 30 40 GIEB COC(=O)c1cc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)ccc1Cl 409187745 UIJKDIJFIHVXOD-SSDVNMTOSA-N 389.835 4.208 30 40 GIEB Cc1cncc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)c1 585293831 ASXMBJFAXHMFBI-UHFFFAOYSA-N 390.516 4.236 30 40 GIEB COc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849109 LQQJPEVNCCEJCJ-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CC(=O)c1ccc(NS(=O)(=O)c2ccc(N/C=C3\CCCCC3=O)cc2)cc1 6275634 UWNYGQXXCBLICD-SAPNQHFASA-N 398.484 4.129 30 40 GIEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(CC)cc1 7759586 KTQINDXOGZVSCG-UHFFFAOYSA-N 391.471 4.201 30 40 GIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 12406467 IBISBKYAIDVORC-SGTLLEGYSA-N 394.456 4.119 30 40 GIEB C[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccccc1)N1CCCCC1 12546130 ODTWKANARRTQIU-INIZCTEOSA-N 390.516 4.232 30 40 GIEB COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 13692350 AHPZUNRZIZELEK-LJQANCHMSA-N 398.459 4.209 30 40 GIEB CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccc(Cl)cc3)S2)cc1 16754307 VAGWXKGRYKCILR-QGZVFWFLSA-N 388.876 4.231 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)c1c(O)n[nH]c1N2 18200809 BJIUIXCCFFKENF-BDJLRTHQSA-N 381.819 4.320 30 40 GIEB Cc1cc(C(F)(F)F)nc(S[C@H](C)C(=O)NCc2cccs2)c1C#N 32117749 UYIALDVLVFDFPP-SNVBAGLBSA-N 385.436 4.139 30 40 GIEB N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCOCC3)s2)cc1 58377096 HVULLIPPZURPKE-UHFFFAOYSA-N 394.525 4.206 30 40 GIEB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C#N)c3)n2)cc1 67257718 JPOCEQGAVQCIGH-UHFFFAOYSA-N 390.468 4.063 30 40 GIEB CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@@H]1c1cccc(C#N)c1 84148723 NRSCPNIRYXOOIX-OAQYLSRUSA-N 387.508 4.261 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 215028019 MOLDENRHSLVGRB-LDADJPATSA-N 396.424 4.396 30 40 GIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224805902 RSYJFHIDXMSJQR-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB COc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)c([N+](=O)[O-])c1 408645600 AEIUTKRNHWQVNQ-CIAFOILYSA-N 391.387 4.196 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C(=O)N1CC 408928697 DNBQPPTUJRCEAH-QLHXNQQISA-N 398.484 4.354 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1Cn1cccn1 6275187 DUDPRDKPDABZQO-YCRREMRBSA-N 384.439 4.022 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1Br 7717722 KFOXTXYIMHSWHA-GQCTYLIASA-N 393.233 4.077 30 40 GIEB CCN(CCC#N)c1ccc(CNCCCn2cnc3ccccc32)c(C)c1 7985261 WNHFMGTXIGPCNJ-UHFFFAOYSA-N 375.520 4.265 30 40 GIEB COc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2C#N)cc1 8984546 LTAHTJGYESRDBO-UHFFFAOYSA-N 378.453 4.241 30 40 GIEB C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419698 XPTXQBUEFPXVHN-UHFFFAOYSA-N 380.878 4.487 30 40 GIEB C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 18192563 WQMKGWAUSIFXOF-PPRFWAEMSA-N 376.372 4.179 30 40 GIEB C#CCOc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC 36359845 VYWUUTSDARFKKR-OAHLLOKOSA-N 397.500 4.278 30 40 GIEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)n2ncc(C#N)c2N1 96318468 BYHQWNAGYGZLBN-KRWDZBQOSA-N 395.875 4.397 30 40 GIEB COc1ccccc1COc1nn(Cc2cccc3ccccc23)c(N)c1C#N 225849196 QATQVVZRRXGMQR-UHFFFAOYSA-N 384.439 4.126 30 40 GIEB CC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408730302 FNVNLWXPGLIENG-QGZVFWFLSA-N 389.795 4.067 30 40 GIEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc([N+](=O)[O-])c1 409054573 SJYXOABZSVFACU-YBFXNURJSA-N 383.389 4.463 30 40 GIEB O=C(O)c1cc(N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)ccc1Cl 409217436 UUXRSJOBBZQOII-FBHDLOMBSA-N 384.775 4.442 30 40 GIEB CC[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4c(=O)o3)c2C#N)C1 1095826 YLJCVGDEEVRVMM-LBPRGKRZSA-N 378.453 4.493 30 40 GIEB COc1cc(-c2nc3sc(C#N)c(N)c3c3c2CCCC3)cc(OC)c1OC 2402727 VIZHPFPZPYENDT-UHFFFAOYSA-N 395.484 4.322 30 40 GIEB COC(=O)c1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 5514482 NVEBLCOSMAVGPC-WSDLNYQXSA-N 378.453 4.455 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 9109394 LHMJKEKRMDYOPA-SFHVURJKSA-N 398.390 4.112 30 40 GIEB Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3Cl)NC2=O)cc1 18209127 WCRYGCBSLBKTHQ-PPAWOMOGSA-N 392.311 4.466 30 40 GIEB CN1/C(=C\C(=O)COC(=O)c2ccc3ncsc3c2)C(C)(C)c2ccccc21 33444724 FIBGNVFFLPTAPO-JAIQZWGSSA-N 392.480 4.334 30 40 GIEB Fc1ccc(COc2ccc(/C=N\NC(=S)NCc3ccccc3)cc2)cc1 33671853 NGYZNPSVFVFUCM-MYYYXRDXSA-N 393.487 4.403 30 40 GIEB COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1[N+](=O)[O-] 59419083 NYNPXASOXLMVKG-OQLLNIDSSA-N 389.820 4.148 30 40 GIEB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3SCCC#N)CC2=O)c1C 95953474 OAHBJCPQCYAPOZ-QGZVFWFLSA-N 393.512 4.301 30 40 GIEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cccc1OC 100765954 IJQBDBKPVKTGSK-NHCUHLMSSA-N 397.490 4.414 30 40 GIEB C=CCOc1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 223576848 KDTWADMJXWTCGX-UHFFFAOYSA-N 375.490 4.493 30 40 GIEB COc1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3s2)c1 408590237 OHRHDVMOQITIKT-CAOOACKPSA-N 378.251 4.219 30 40 GIEB COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(OC)c3)cc2)cc1 408802390 DSKLKSCJCUUQLS-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409096822 GSBDLLPTYRSUKN-CPNJWEJPSA-N 381.453 4.497 30 40 GIEB CCOc1ccc(/C=N/n2c(COc3ccccc3)nc3ccccc3c2=O)cc1 1818064 HVBSXFMALCMIDX-PCLIKHOPSA-N 399.450 4.256 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC 2076188 QBMITLPSANEANA-SFQUDFHCSA-N 381.815 4.095 30 40 GIEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(C)(C)C)cc1 2649835 OQRGSXAPXAYNCE-UHFFFAOYSA-N 381.545 4.476 30 40 GIEB NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1 5263339 VIQGXPOPASUKRN-YRNVUSSQSA-N 387.844 4.144 30 40 GIEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1C 21149538 HGVHAALXAXQIMQ-UHFFFAOYSA-N 383.429 4.010 30 40 GIEB COc1cc(-c2c(-c3ccc(C)cc3)cnc(N)c2C#N)cc(OC)c1OC 34703601 VTGCUKIQIHXGMD-UHFFFAOYSA-N 375.428 4.204 30 40 GIEB CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccc(C#N)cc2)cc1 59309048 UJNAZDHWFHPHTJ-UHFFFAOYSA-N 387.439 4.464 30 40 GIEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C#N)cc2)C(=O)C1 100004689 BEMRBFZYOWCMBU-FQEVSTJZSA-N 393.483 4.417 30 40 GIEB CCCCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O 100931345 KRPIJSRNWNABKQ-UHFFFAOYSA-N 377.572 4.397 30 40 GIEB O=c1c2c3c(sc2ncn1/N=C\c1ccc(C(F)(F)F)cc1)CCCC3 2123586 QAOAYABQHDFION-AQHIEDMUSA-N 377.391 4.238 30 40 GIEB N#CCCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 3219339 AEFXWCQQEKRNSN-UHFFFAOYSA-N 398.462 4.309 30 40 GIEB Cc1ccc(-c2nnc(S)n2/N=C\c2c(C)nn(-c3ccccc3)c2C)cc1 4456266 NYFOBOBWRDHYHW-XKZIYDEJSA-N 388.500 4.227 30 40 GIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H](c2cccs2)N2CCCC2)c1O 6507748 OAXCQJHZMKRCNH-GDXCHIGESA-N 379.869 4.271 30 40 GIEB CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3OC)NC2=O)cc1 7262061 QPFWTXYQTKFDRT-KMUCBOENSA-N 395.528 4.202 30 40 GIEB C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 8853019 KJKDFVKWWLLPSE-LJQANCHMSA-N 394.500 4.253 30 40 GIEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 16046748 KKTBQUZKMBSWJG-XMMPIXPASA-N 381.479 4.376 30 40 GIEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 35225344 KGSNPIPFTWHFOU-MTJSOVHGSA-N 376.840 4.127 30 40 GIEB N#Cc1c(F)cccc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 52426863 NYQHYBBGTLCJGB-UHFFFAOYSA-N 379.357 4.165 30 40 GIEB COc1ccc(N2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@H]2c2ccccc2)cc1 102235734 PTVIAWWQDJIQEL-OAQYLSRUSA-N 396.450 4.029 30 40 GIEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225057872 YTZSTNURKDFTGI-UHFFFAOYSA-N 395.480 4.316 30 40 GIEB Cc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408863582 PNHSNNHTBPGONN-UFFVCSGVSA-N 381.892 4.414 30 40 GIEB CC/N=C1/S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)N1CC 408931039 GIXOVMKHTSFKCJ-ZYVCTYRMSA-N 382.913 4.448 30 40 GIEB C=CCOc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC=C 4611353 NVUAQNFSVJBKOG-RGEXLXHISA-N 375.424 4.469 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 4629617 GVXFYASDEXYCGE-GOSISDBHSA-N 385.485 4.142 30 40 GIEB CCCC/N=C1/S/C(=C/C(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 4704099 OTIJDMQSKVUEGF-LXBJNYIASA-N 389.521 4.049 30 40 GIEB Cc1cc(C)nc(/N=C(\N=C(/O)C(C)C)NCCc2c[nH]c3ccccc23)n1 4740395 VQBKVNRVPMSRQF-UHFFFAOYSA-N 378.480 4.007 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 7017375 LRKIWULLTKXLQG-OAQYLSRUSA-N 396.443 4.052 30 40 GIEB Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2N2CCCCC2)cc1 12563457 KTHSYUGVWSTKNJ-QGZVFWFLSA-N 380.521 4.102 30 40 GIEB O=C1/C(=N\O)c2ccc(Cl)cc2N1CCCOc1ccc2ccccc2c1 46084715 YOCGNJZHVDSYDC-ATJXCDBQSA-N 380.831 4.487 30 40 GIEB Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)cc3C)C(=O)N2C)c1 101650936 IJEKHIJYAMSLRV-VEGAHXMMSA-N 381.501 4.202 30 40 GIEB COCC/N=c1/scc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 103372141 NEKOCUWVSUDUES-QQMDMNIASA-N 376.485 4.127 30 40 GIEB COc1cc(Cl)c(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OC 107889768 WKWDOIBJOXROHK-UDVIPCCRSA-N 380.878 4.232 30 40 GIEB Cc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 3176707 HBBVDPOZUJHVQI-UHFFFAOYSA-N 381.888 4.489 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 4385953 JETNACIEVBWRSK-INIZCTEOSA-N 395.890 4.271 30 40 GIEB COc1ccc(/C=N/Nc2ccccc2C)cc1CN1C(=O)c2ccccc2C1=O 4805184 PTJXVAAELUXHPU-AFUMVMLFSA-N 399.450 4.246 30 40 GIEB CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 4848898 SLLUNJIVDOPULU-UHFFFAOYSA-N 375.453 4.348 30 40 GIEB CCc1ccc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)cc2c1 4848924 PMNFFWCWXSLDMO-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 4903691 BCOVJYVGRXAORU-NAZSODNNSA-N 394.544 4.387 30 40 GIEB CCCCCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OC 6066987 SWLIMCBPNPUVBL-KEBDBYFISA-N 388.415 4.045 30 40 GIEB CSc1nc(NCCOC(C)=O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 8654683 VIINCQYCLDDYPP-UHFFFAOYSA-N 384.505 4.010 30 40 GIEB CCOc1ccc(/C(O)=N/c2nc3ccccc3n2CCN(CC)CC)cc1 12566281 QRPHCYRVULLHAJ-UHFFFAOYSA-N 380.492 4.413 30 40 GIEB N#Cc1cccnc1Oc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 32779552 YZUDJKSFFKBKNL-UHFFFAOYSA-N 375.344 4.298 30 40 GIEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2 102444475 BWYUFBYFMSKENV-NFMUFKGESA-N 383.517 4.201 30 40 GIEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408857008 MPBIECHDBCCLOM-KSEXSDGBSA-N 380.375 4.380 30 40 GIEB COC(=O)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2oc2cc(OC)ccc23)cc1 2268170 ZFNSJJOAIRIMDF-UHFFFAOYSA-N 397.390 4.374 30 40 GIEB CCOc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1OC 4598239 IXNSCAANSVNRDG-CSKARUKUSA-N 380.396 4.105 30 40 GIEB Oc1ccc(Br)cc1/C=N/N=C/c1ccc(Br)cc1 4703550 MITOMULJQZIFIQ-YPOGWSRFSA-N 382.055 4.370 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1OC 5129353 LPARQHJUPDISCE-GQCTYLIASA-N 393.233 4.077 30 40 GIEB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2C#N)C1=O 12242008 MGNOYFMDBBKRRK-LJQANCHMSA-N 386.407 4.086 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12793448 HXFADCOFNZUUOI-SQEWALACSA-N 391.467 4.400 30 40 GIEB Cc1sc(NC(=O)c2cccc(I)c2)c(C#N)c1C 14595995 FJHHJPWDOKBLDV-UHFFFAOYSA-N 382.226 4.094 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960096 WLTYYEFTVCNFQX-FZKQIMNGSA-N 378.457 4.009 30 40 GIEB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1cccc(C#N)c1 28680230 ZQQJBTGVRQFHDI-LBPRGKRZSA-N 387.534 4.274 30 40 GIEB C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(C#N)cc1 40132939 HCXNHXUONJJAIC-OAHLLOKOSA-N 389.480 4.041 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 100349865 UFKAOGDRCOYWHE-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]21C 102054332 UQWZWQYTKPEDAK-LSBAASHUSA-N 380.484 4.403 30 40 GIEB C#CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226326048 LLJUGZAJFRYPOX-UHFFFAOYSA-N 379.637 4.472 30 40 GIEB O=S(=O)(Oc1ccc(/C=[N+](\[O-])c2ccccc2)cc1)c1ccc(Cl)cc1 255188083 INKDOTWPWWRMEP-STZFKDTASA-N 387.844 4.369 30 40 GIEB CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408953909 QNUCQOHLJFLQCE-HKWRFOASSA-N 388.496 4.435 30 40 GIEB CCCOc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C)cc1 409015086 AIUMVLFNXIOXLJ-PXLXIMEGSA-N 382.485 4.249 30 40 GIEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCOCC2)cc1 409097543 MMCFUCUHRWFCKA-AQTBWJFISA-N 399.903 4.068 30 40 GIEB Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc2c1C 5345962 KWUMTPWDMGQFKL-UHFFFAOYSA-N 378.453 4.474 30 40 GIEB CCOc1cc(/C=N/NC(=N)S)ccc1OCc1c(F)cccc1Cl 5958782 QBHGMABXJXDVBP-ZVBGSRNCSA-N 381.860 4.245 30 40 GIEB N#Cc1ccc(CN2CCCN(C(=O)c3cc4c(F)cccc4s3)CC2)cc1 29985300 ANEODAFJOBIYNY-UHFFFAOYSA-N 393.487 4.260 30 40 GIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989284 YFGQLZOKYPFRCJ-NSHDSACASA-N 383.926 4.492 30 40 GIEB CC[N+]1(C)CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)/C=C\c2ccccc2)C1 104274310 ZHAKLYFQWBJDPB-XWRUPXFESA-N 376.520 4.200 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 222827300 QUXHRKMBVZQGOW-QFIPXVFZSA-N 392.499 4.277 30 40 GIEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)n1 408853488 UPCCWTITMCYOJT-YVNNLAQVSA-N 397.866 4.299 30 40 GIEB N#Cc1cc(F)c(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c(F)c1 610665419 ULXFOYCTYHZXKR-UHFFFAOYSA-N 396.422 4.108 30 40 GIEB CCCOc1c(Br)cc(C(=O)Nc2sccc2C#N)cc1OC 2663126 KRKHGEGFFMNWBZ-UHFFFAOYSA-N 395.278 4.432 30 40 GIEB Cc1ccc(NC(=O)N2CCN(c3nc4ccc(C)cc4cc3C#N)CC2)cc1 19210659 YMIVVADHLNLMPE-UHFFFAOYSA-N 385.471 4.077 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(F)cc(F)c1 20633283 CKGVCGYHZRASPA-LJQANCHMSA-N 381.382 4.333 30 40 GIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(OC)c3OC)cc2c1C 24825358 UWUIGHWIGSIGEK-CMDGGOBGSA-N 397.452 4.305 30 40 GIEB N#Cc1ccc(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 27154071 BJTBGQIHAYTZDZ-FQEVSTJZSA-N 376.456 4.016 30 40 GIEB O=C(CCCNC(=O)c1cccs1)Nc1cccc(C#Cc2cccs2)c1 32907509 IHUAIJGOUUXIRV-UHFFFAOYSA-N 394.521 4.358 30 40 GIEB Cc1cc(C(=O)NCCNc2cccc(F)c2C#N)c(C)n1Cc1ccccc1 71821154 MQHXEOQVRYFUMX-UHFFFAOYSA-N 390.462 4.006 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 100439979 SKWNEIQYLIPJAF-LFVOPCPISA-N 390.826 4.361 30 40 GIEB COCCC/N=C/c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O 101828021 HZLJRPFEIMDXKV-HYARGMPZSA-N 392.484 4.310 30 40 GIEB CCCCc1ccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408755829 NGRLZXDVSCFFKZ-JVMBGAFUSA-N 393.512 4.104 30 40 GIEB Cc1cc(/N=C\c2ccc(O)c(I)c2)cc([N+](=O)[O-])c1C 408904716 NMTZYNILDQKIBT-IUXPMGMMSA-N 396.184 4.272 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCC#N 408988715 JABJNMVEQAHEGM-PDGQHHTCSA-N 397.431 4.018 30 40 GIEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)cc1 409089923 NPLOLIOKFQFNRH-PDGQHHTCSA-N 399.903 4.068 30 40 GIEB Cn1c(C#N)ccc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 1615613129 QJJPTMANYADYSX-UHFFFAOYSA-N 387.374 4.005 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(C(=O)C(C)(C)C)[C@@H]1CCCCN21 6530475 GQPAZQIRBDLIEU-WMZHIEFXSA-N 376.504 4.221 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 6813255 ZZTABHCZISMLAO-FQEVSTJZSA-N 397.471 4.326 30 40 GIEB COc1ccc2c(c1)C=C(c1c(C#N)c(C)nc3c1C(=O)c1ccccc1-3)CO2 8873977 XWQMTEBDEIQHFB-UHFFFAOYSA-N 380.403 4.415 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccc(SCC(=O)O)c(F)c2)ccc1OC 13062768 LGUCSPHZGFCHDH-QPJJXVBHSA-N 390.432 4.306 30 40 GIEB O=C1CS/C(=N\N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)N1 16430341 YTWSLVJREPISEH-BLLMUTORSA-N 388.663 4.460 30 40 GIEB C#CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19973820 AGNQXZQRUVHABR-UHFFFAOYSA-N 381.859 4.053 30 40 GIEB C=CCOc1c(Br)cc(CNCCc2ccccc2F)cc1OC 22074604 BUDHDXPMHRVJAC-UHFFFAOYSA-N 394.284 4.494 30 40 GIEB Cc1cccc(-n2c(SCC(=O)N[C@@](C)(C#N)C3CC3)nc3ccccc32)c1 23547390 XQJDYLIVGADEPY-QFIPXVFZSA-N 390.512 4.235 30 40 GIEB C=CCOc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br 33538195 LHGODTQOOPMXPF-UHFFFAOYSA-N 384.277 4.409 30 40 GIEB CCCCOC(=O)C(=O)[C@H](C[C@H](CC)C(=O)c1ccccc1)C(=O)C=C(C)C 102981921 DQZGZYQZVCPIBC-PKOBYXMFSA-N 386.488 4.350 30 40 GIEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225048544 ZILFMEDLRURQMR-UHFFFAOYSA-N 395.480 4.398 30 40 GIEB CC(C)CN(CC(C)C)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC(C)C 2361074 NRZNFIRJSWKWNB-QGZVFWFLSA-N 382.508 4.307 30 40 GIEB COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccccc3C#N)ccc2c1 2735891 MXZXASVRUPNMKF-HNNXBMFYSA-N 388.423 4.005 30 40 GIEB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC#N 4700509 QYCZMNDTQBLFNM-SFQUDFHCSA-N 388.514 4.131 30 40 GIEB Cc1ccc2nc(N/N=C3\C(=O)Nc4ccccc43)nc(-c3ccccc3)c2c1 8320508 AKOKGULGLOHNPZ-UHFFFAOYSA-N 379.423 4.374 30 40 GIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O 9577250 YLYLPGIEHDJBIT-GQFJFNLSSA-N 382.412 4.032 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1CN1CCCCC1 12808238 XVVSRUCPXQIJCG-YRNVUSSQSA-N 379.456 4.275 30 40 GIEB CCCCCCCCCCCCCCOS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 100839106 GVVVMQNPWBKWDH-GOSISDBHSA-N 396.615 4.221 30 40 GIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223748994 VWYCOVMSLQNPSN-KQWNVCNZSA-N 393.846 4.205 30 40 GIEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21 223757062 BOZIQKSQGXOHES-JWGURIENSA-N 375.856 4.066 30 40 GIEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408800557 PPJPKNSUTFYRHS-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCCC)C1=O 409062623 XWRHAJPWFBYYNL-PTNGSMBKSA-N 394.290 4.298 30 40 GIEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 4150310 BFQWNIUQIKDHKC-INIZCTEOSA-N 397.500 4.150 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1 4286062 JNXHBYNVPGIBJH-LZLYRXPVSA-N 384.549 4.164 30 40 GIEB C=C(C)COc1c(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cccc1OC 5000804 QRGKLRASVWJVOF-LDADJPATSA-N 379.412 4.003 30 40 GIEB COc1cc(/C=N/Nc2ccc(Cl)cc2)cc(Br)c1OCC#N 6490547 KFIXETKCTDUFAG-KEBDBYFISA-N 394.656 4.459 30 40 GIEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2OC(F)F)c1 6679416 FKIJJRNLYRZVTP-KEBDBYFISA-N 376.388 4.100 30 40 GIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 8073606 INWXNNAQOBAETI-UHFFFAOYSA-N 376.412 4.027 30 40 GIEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 16682313 KWWULZSWCXKQTL-WOJGMQOQSA-N 384.863 4.098 30 40 GIEB CN(CCC#N)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 69741015 MVMJFXCZLXCGED-UHFFFAOYSA-N 378.863 4.237 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 97105059 GJKCJWOZQABLBW-NFBKMPQASA-N 394.467 4.332 30 40 GIEB CC(/C=C(\O)c1ccccc1)=N/CC(O)C/N=C(C)\C=C(/O)c1ccccc1 104505602 SSSSENRVXZEGRZ-GNXMLXIBSA-N 378.472 4.467 30 40 GIEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)C 409040151 XUJYNAVSDFYFRV-HOEBFWFUSA-N 376.272 4.196 30 40 GIEB C=CCOc1c(/C=C2/Sc3ccccc3NC2=O)cc([N+](=O)[O-])cc1OC 409095453 BFYZPHHZQROQFQ-LICLKQGHSA-N 384.413 4.254 30 40 GIEB COc1cc(/C=N/NC(=S)NC(C)C)ccc1OCc1ccc(Cl)cc1 3289407 MLKHUFGWXWOLHY-SRZZPIQSSA-N 391.924 4.134 30 40 GIEB N#Cc1ccccc1COc1ccccc1/C=C1\NC(=O)N(c2ccccc2)C1=O 6635312 PBFSNJMTWRUHGW-STZFKDTASA-N 395.418 4.235 30 40 GIEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 7601839 HATAPJGWZOJIPU-UHFFFAOYSA-N 399.882 4.102 30 40 GIEB CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)COP(=O)(O)O 8216815 YHEDRJPUIRMZMP-ROUUACIJSA-N 381.494 4.265 30 40 GIEB biogenic,in-vitro COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 32291930 MAYJRAAZVCGQNB-UHFFFAOYSA-N 388.423 4.407 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1 78547341 PTYKLAJCSKOYEU-NRFANRHFSA-N 393.483 4.388 30 40 GIEB N#Cc1c(NC(=O)[C@H]2CC(c3ccccc3Cl)=NO2)sc2c1CCCC2 4504957 JVMIQOXWHPFJPY-MRXNPFEDSA-N 385.876 4.284 30 40 GIEB Cc1ccc(S(=O)(=O)/N=C(\Nc2ccc(O)cc2C)c2ccccc2)cc1 6023538 XALPAXZPZHAHIY-UHFFFAOYSA-N 380.469 4.257 30 40 GIEB COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCC#N 7587338 UNHZHEJNZFBLCB-UNOMPAQXSA-N 393.468 4.297 30 40 GIEB N#Cc1c(SCC(=O)NC2CCCCC2)nc2c(c1C(F)(F)F)CCCC2 9422653 CTOMUGLFAFRTCE-UHFFFAOYSA-N 397.466 4.392 30 40 GIEB C#CCN(C)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C 30882924 IVXCKRAQVMGOQV-ACRUOGEOSA-N 378.520 4.094 30 40 GIEB biogenic,in-vitro CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1cccc(C(=O)O)c1 35656753 YOAARIQFOWCWSR-WBCKRXDOSA-N 395.484 4.075 30 40 GIEB C/N=C1/S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1C 59104265 VNWAFTUDMSCLRD-YSZNWWIGSA-N 377.809 4.040 30 40 GIEB CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2C(=O)C(O)=C(C(C)C)C(=O)[C@H]21 104075148 GZGFNUROSGAIJU-DRYGZRARSA-N 376.493 4.007 30 40 GIEB Cc1cccnc1CN1CCC[C@H]1c1csc(Nc2cc(C#N)ccn2)n1 585295364 WQEWNOOEVSFQQF-SFHVURJKSA-N 376.489 4.194 30 40 GIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 947376 YUJLDZBYCHIBEQ-YSKGHYERSA-N 382.485 4.414 30 40 GIEB COc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn23)ccc1O 1051669 ZSSHWSXNNIHCRL-YDZHTSKRSA-N 389.411 4.180 30 40 GIEB COc1ccc(/C=N/n2cncn2)cc1CSc1nc2ccccc2s1 2267562 WYQYNAICJRUJRA-AWQFTUOYSA-N 381.486 4.071 30 40 GIEB CCCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 4424136 KQRGWPWWAVWDFT-FQEVSTJZSA-N 395.507 4.290 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6909402 NYMMVGDNZRMRPC-SFHVURJKSA-N 382.464 4.384 30 40 GIEB C=CCN(Cc1cccs1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 14197690 DKNRQDMIDIGGCI-UHFFFAOYSA-N 389.565 4.221 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 35289790 AEJNCFNVFYDMSE-FRIKZZABSA-N 392.478 4.405 30 40 GIEB COc1cc([C@@H](C)NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccncc1 46672040 SLFNQUBTCFGVAP-MRXNPFEDSA-N 387.439 4.032 30 40 GIEB C[C@@H]1C[C@@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C(=O)O1 61168009 WVDMZXPOJJZHID-AMIZOPFISA-N 384.404 4.497 30 40 GIEB N#Cc1cccc(S(=O)(=O)c2cnc3cc(Cl)c(F)cc3c2Cl)c1 72329763 LOXYYQFNKGHMAZ-UHFFFAOYSA-N 381.215 4.385 30 40 GIEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cn2ccc3c(Cl)cccc32)n1 95472885 DDXZPQPOVJDQMJ-UHFFFAOYSA-N 381.823 4.377 30 40 GIEB C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@]21C 245204495 CHZJRGNDJLJLAW-CRNSPECLSA-N 380.528 4.199 30 40 GIEB O=C(O)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408542884 OKHDNQLMZMGBSJ-FOKLQQMPSA-N 388.379 4.430 30 40 GIEB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc2c1 1354524 JATXIZADFPHPHD-AWEZNQCLSA-N 389.480 4.185 30 40 GIEB COc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(C)c2C#N)cc1 1429136 IRVAYALNNNRXQV-UHFFFAOYSA-N 381.379 4.020 30 40 GIEB C=CCn1c(C)cc(-c2csc(NC(=O)c3cccnc3OCC)n2)c1C 3422654 OMGVTVFPLIZKIF-UHFFFAOYSA-N 382.489 4.460 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4155221 QPLLVENXOUMKGH-YUELXQCFSA-N 386.517 4.376 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 4293173 QVKWDKPHEMCSMJ-QWODIWHTSA-N 392.371 4.053 30 40 GIEB CCCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CCC)n2cnnc2S1 4518265 QQAAVVQODKRZSB-UHFFFAOYSA-N 390.896 4.040 30 40 GIEB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1C 7575804 WONWUTYUSVNEFP-RUZDIDTESA-N 395.462 4.171 30 40 GIEB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9049162 ZVSVQEIQZZEAIE-VFNWGFHPSA-N 388.423 4.352 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 12659834 UNCXCKBXOLLLTG-AXKRDEPCSA-N 399.531 4.108 30 40 GIEB biogenic COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 13734983 FZNLKBVJYKUKKT-JAIQZWGSSA-N 375.380 4.261 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 14091528 SYXBZFWNTQGSOH-QGZVFWFLSA-N 392.528 4.024 30 40 GIEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 40146062 MJWIVUDILVDYIC-YCRREMRBSA-N 397.818 4.457 30 40 GIEB C#CCOc1cc(C(=O)OC)cc2c1OC(c1ccccc1)(c1ccccc1)O2 222374158 NNFDJRRFEXPMPI-UHFFFAOYSA-N 386.403 4.158 30 40 GIEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1COc1ccc(F)cc1 223689441 OTIYNMWOLBNMET-UHFFFAOYSA-N 384.411 4.080 30 40 GIEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N/c1ccc(F)cc1 409236892 HWBHOLXUZGUONH-LMDBJESCSA-N 386.448 4.467 30 40 GIEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(OC)c1 409282400 GQZIGAKIEPRMAH-UHFFFAOYSA-N 391.471 4.344 30 40 GIEB C[C@](C#N)(NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1 571832196 KTOSELTZMPLMBJ-HXUWFJFHSA-N 383.473 4.131 30 40 GIEB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cc1 2222681 BDDVOSSPTYMBMX-UHFFFAOYSA-N 393.395 4.363 30 40 GIEB biogenic CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)cc1 2638583 NDWABICRXZAYFF-FQEVSTJZSA-N 377.488 4.249 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 3094369 MDNGQPZQNCRTPV-FQEVSTJZSA-N 383.488 4.252 30 40 GIEB Cc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1Cl 3657044 HZDIVYKDNNDFSO-DJKKODMXSA-N 376.641 4.003 30 40 GIEB CC(=O)c1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 5007331 POKSIKBRLXFHNZ-UHFFFAOYSA-N 375.453 4.348 30 40 GIEB CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 5247756 SWJLTKXURNHVHE-SGAXEVNMSA-N 390.863 4.300 30 40 GIEB biogenic CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S1)C2 5706026 LQFAYIHXQNLLRS-KSXFCSQPSA-N 398.488 4.357 30 40 GIEB C=CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 6907650 AMGQSDJJRWFCKI-UHFFFAOYSA-N 390.512 4.380 30 40 GIEB COC[C@H](C)n1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3F)SC2)c1C 7991090 APCMGQRBSSRGGK-LBPRGKRZSA-N 392.475 4.319 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 12916829 HUVMSNOQBTWOMM-UHFFFAOYSA-N 391.358 4.402 30 40 GIEB C=CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(C1CCCCC1)CC2 13510971 HZDPCMFPVYWPGY-UHFFFAOYSA-N 379.552 4.232 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 18196229 UEWAUZKCVZNTKH-SGTLLEGYSA-N 382.876 4.409 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 35313283 GEJPACTZXVZYIR-UHFFFAOYSA-N 398.513 4.309 30 40 GIEB CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1OC 46084884 SVJPUTXHFMVXPH-PGMHBOJBSA-N 395.242 4.126 30 40 GIEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795029 XJKTVPFBGUAFPX-FXAWDEMLSA-N 395.455 4.160 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)OC3CCCCC3)nc2cc1OC 1355245 ZVULSDLPVIMBRJ-UHFFFAOYSA-N 386.473 4.092 30 40 GIEB C/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1ccc(NC(C)=O)cc1 5781888 COSXPJNPDUERMA-RZWFVBBUSA-N 390.921 4.303 30 40 GIEB COc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1OC 7995239 WFJIGBPHXGMBBC-UHFFFAOYSA-N 378.457 4.498 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 40087709 HCZAWBLDXRQABS-UHFFFAOYSA-N 381.819 4.163 30 40 GIEB CCN1C(=S)/C(=N/NC(=S)c2ccc3ccccc3n2)c2ccccc21 104202585 NHXLPYJUPLPOBJ-RELWKKBWSA-N 376.510 4.072 30 40 GIEB CC[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 138177744 XHWQPGMAHKBRBX-GPSAUMFZSA-N 384.392 4.135 30 40 GIEB Cc1ccc(NC(=O)COc2ccc(/C=N/OCc3ccccc3C#N)cc2)cc1 408596712 TUNPGEOEBOZCJF-CVKSISIWSA-N 399.450 4.435 30 40 GIEB COc1cc(N(C)C)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384117 DVCIHPDWMFOWJZ-PCLIKHOPSA-N 398.466 4.020 30 40 GIEB Cc1cccc(N2C(=O)/C(=C\c3cc(C#N)n(C)c3C)c3ccccc3C2=O)c1 3332756 MKEMBKCHOTYTKR-XKZIYDEJSA-N 381.435 4.241 30 40 GIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 5559427 ONBCPTVNDVZTDR-LSHDLFTRSA-N 381.379 4.145 30 40 GIEB C=CCN(Cc1ccc(Br)s1)C(=O)c1ccc(OC)c(OC)c1 8405547 PQAFJDIUVXIXTH-UHFFFAOYSA-N 396.306 4.356 30 40 GIEB COc1cc(/C=C2/S/C(=N/c3cccc(C)c3C)NC2=O)cc(OC)c1OC 12032472 GTQNBKDNIMTSMW-WOJGMQOQSA-N 398.484 4.221 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(OC)cc4)[C@H]3C[C@@H]12 12661645 FJUTWCVPMLKPLN-KQWJERSKSA-N 383.532 4.142 30 40 GIEB biogenic N#Cc1ccc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 16919426 DDINAALMWYDBML-UHFFFAOYSA-N 398.462 4.307 30 40 GIEB CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc1C 22717823 SPNOGGIGFVRFIR-CYBMUJFWSA-N 393.468 4.283 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1 28629518 BGASFAIZMOQRHH-HXUWFJFHSA-N 384.435 4.481 30 40 GIEB CS(=O)(=O)Nc1ccc(C#CCOc2ccccc2)cc1Oc1ccccc1 95101125 IVNAJYVGHYFOTB-UHFFFAOYSA-N 393.464 4.281 30 40 GIEB CCCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409035308 JNTZXAKQXMYENS-UYOCIXKTSA-N 376.272 4.198 30 40 GIEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3315328 FWHGBCOEBDLSGC-UHFFFAOYSA-N 380.831 4.014 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 4973896 MPWWYKIJELSXPI-LXYRJJAWSA-N 399.491 4.469 30 40 GIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Br)ccc1O 5007469 GULPOIJDCBRBII-NTEUORMPSA-N 375.247 4.046 30 40 GIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(O)c(O)c1 5376383 RLUWINUIBBZDKO-ZSOIEALJSA-N 380.347 4.008 30 40 GIEB C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccco1 5416122 GFXXJTHGSNYVOU-RXVVDRJESA-N 377.469 4.293 30 40 GIEB Cc1c(/C=N/Nc2ccccn2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 5446462 YNCYVDVRPPCSAC-ZVHZXABRSA-N 399.410 4.228 30 40 GIEB CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Cl)s1 8161181 FQRRNTXYUWXNPL-UHFFFAOYSA-N 379.938 4.284 30 40 GIEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 9482733 JAKYSIQWDIZSMO-HSZRJFAPSA-N 390.483 4.476 30 40 GIEB O=C(O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(F)cc2)S1 13552287 ILMPJKSFCKNTQC-BAOKRACBSA-N 392.839 4.086 30 40 GIEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3OC)nc21 20604643 AXRFEWCZNDRKAG-UHFFFAOYSA-N 375.400 4.253 30 40 GIEB C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 40122871 QVLQUGDJYCKTIH-UHFFFAOYSA-N 382.445 4.210 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 101473690 GBNFCUHEVIIMBZ-FOWTUZBSSA-N 396.424 4.138 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1 101650778 JIIBMUKUYYJQJF-CWJYSFMFSA-N 395.528 4.456 30 40 GIEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc(Br)c1O 408976253 AEPWMVOERLJYGA-UHFFFAOYSA-N 396.244 4.177 30 40 GIEB C=CCOc1c(Br)cc(Br)c(C=O)c1Br 2766542 KPGMTUJLBYOVPU-UHFFFAOYSA-N 398.876 4.351 30 40 GIEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 4464924 AZQVTRZLTCFNFO-SXGWCWSVSA-N 388.217 4.126 30 40 GIEB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@H]2C(=O)/C(=C/c3ccco3)CC[C@H]12 4533306 ZSHIOALVDOKIOB-ATEMOEOESA-N 384.516 4.216 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(O)cc2)C1=O 4663395 OBYXJJCYKIFROD-ATVHPVEESA-N 381.453 4.244 30 40 GIEB COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)o2)c(OC)c1 7170361 XSHNMDSTDJSUAM-MRXNPFEDSA-N 381.457 4.289 30 40 GIEB C=CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccccc1OC 12889068 BYEBCNMLRMYTLD-UHFFFAOYSA-N 385.493 4.113 30 40 GIEB N#CCOc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 13019910 YGEUWIXFZUBIAS-UHFFFAOYSA-N 383.404 4.016 30 40 GIEB O=C1Nc2ccccc2/C1=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 13124246 SEMFEXJBIKPCSW-UHFFFAOYSA-N 377.219 4.030 30 40 GIEB N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 19863720 NHNZOBIYJCPFDL-UHFFFAOYSA-N 394.327 4.460 30 40 GIEB N#Cc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 23308633 OAIGUSVDULFRHS-UHFFFAOYSA-N 381.479 4.106 30 40 GIEB C#CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1OCC 107619703 QZKUDTIJHNCWFD-UHFFFAOYSA-N 396.350 4.267 30 40 GIEB COc1cc(C=Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCCc1ccccc1 250381547 LQSRJGGHSXSCHD-UHFFFAOYSA-N 387.439 4.237 30 40 GIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1occc1C 409327304 RZCIUNRILQTENC-LLVKDONJSA-N 388.265 4.456 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)s1 1440264 KNMKUACJGXILQD-AHYKXKOGSA-N 382.485 4.287 30 40 GIEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3)n2)cc1 2746232 AJHQGXJIXBCRRW-AWEZNQCLSA-N 390.468 4.149 30 40 GIEB CC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCO2 3220175 ACYMBDUKGSLHMG-JOJRYIPASA-N 385.876 4.402 30 40 GIEB Cc1ccc(-c2nnc(S)n2/N=C\c2cc(Br)ccc2F)cc1 5794963 HVTPDPHHXGFDMK-OCKHKDLRSA-N 391.269 4.326 30 40 GIEB O=C1/C(=C\c2ccccc2O)S/C(=N\N=C\c2ccccc2)N1[C@H]1C=CCC1 5899296 SZYYLSNPNDONDS-OQLSPCMHSA-N 389.480 4.417 30 40 GIEB N#Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 7737901 RUILIAUXHILZNU-JOCHJYFZSA-N 376.843 4.496 30 40 GIEB COc1cc(C(=O)/C=C/c2ccc(Br)s2)cc(OC)c1OC 7782129 VCFAKOBUKBAICQ-GQCTYLIASA-N 383.263 4.433 30 40 GIEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 16741704 MHJBXFRQFFOZPT-SFHVURJKSA-N 385.847 4.385 30 40 GIEB N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)nc1 69975833 VHQSVQGDIRWOFC-QFIPXVFZSA-N 388.515 4.255 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1ccccc1O 408600487 ZVEGKVYNQFPHNW-UHFFFAOYSA-N 398.463 4.015 30 40 GIEB C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2113654 KUCWPWXWINEONS-IBGZPJMESA-N 394.456 4.162 30 40 GIEB Cc1cccc(NC(N)=Nc2nc(=O)cc(CSc3ccc(Cl)cc3)[nH]2)c1 2201008 SSQVENCNKHISOZ-UHFFFAOYSA-N 399.907 4.082 30 40 GIEB CC(=O)Oc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4652934 QEBXNHPUZZCFPR-NWXPRMMHSA-N 388.467 4.144 30 40 GIEB Cc1cc(O)cc(C)c1N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 6023497 NMGFXXHVILZWNZ-UHFFFAOYSA-N 380.469 4.257 30 40 GIEB O=C1Nc2ccccc2/C1=N\N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 6640455 YJVCVEYXJNNFGK-MFKUBSTISA-N 391.434 4.315 30 40 GIEB COc1cc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC#N 6789585 ZKIRXPDKVBGISE-SOFGYWHQSA-N 376.334 4.268 30 40 GIEB N#Cc1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)cc1 7989866 QXXOPGFHNKIDTP-UHFFFAOYSA-N 381.439 4.159 30 40 GIEB C=CCN(C(=O)c1ccc2c(c1)nnn2CC)c1nc(-c2ccccc2)cs1 14723667 NRJUNRWXKIXPMZ-UHFFFAOYSA-N 389.484 4.408 30 40 GIEB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)CS(=O)(=O)c2ccccc21 28912733 LKQSRXCOJHIISR-XMHGGMMESA-N 390.460 4.319 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccc(C(=O)O)cc1 32626624 MNSKFWZZSVBPNY-VJGKAAADSA-N 394.452 4.183 30 40 GIEB COc1ccc(C(=O)CSc2nc3cc(OC)c(OC)cc3cc2C#N)cc1 35311891 MVFMHSVPTKNXMF-UHFFFAOYSA-N 394.452 4.107 30 40 GIEB COc1cc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OCC(C)C 40087548 ASXKFYDVEYCZIK-DLBZAZTESA-N 396.487 4.246 30 40 GIEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N\c3ccccc3)S2)cc1 100105474 NGHLDXKRPJOVJD-MLSMKVKPSA-N 397.500 4.066 30 40 GIEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718861 MMTVTHCDUVCEAE-OAHLLOKOSA-N 384.863 4.205 30 40 GIEB COc1ccccc1OCc1nc(SCc2cccc(C)c2)nc(N)c1C#N 223691562 RQKATYIEMXJVPE-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(Cl)cc1 224719575 MEYQUXUVCGNAHU-UHFFFAOYSA-N 393.892 4.206 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c1C 3381582 JYUFCUVLJVANSZ-UHFFFAOYSA-N 384.480 4.201 30 40 GIEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 5309523 CIFNJOOMUNVECF-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB Cc1ccc(N/C(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 6814226 SOBOAILUKVJWBW-UHFFFAOYSA-N 395.440 4.151 30 40 GIEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)cc1C 7995194 FITLSRVSZORDHS-UHFFFAOYSA-N 390.468 4.069 30 40 GIEB C#CCOc1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1OC 13569733 JWWCQFWBNBMMRN-UHFFFAOYSA-N 378.497 4.366 30 40 GIEB CCN(CC)c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 13633122 IEFBPLMVUXKBJU-ULJHMMPZSA-N 384.955 4.338 30 40 GIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 17029155 OHKQPIVUEOADSO-YUNKPMOVSA-N 392.846 4.053 30 40 GIEB CCOc1ccccc1-c1c(C#N)c(N)nc2c1CN(Cc1ccccc1)CC2 18241852 PZRFJANLYZQTSB-UHFFFAOYSA-N 384.483 4.159 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1 33745824 HMUOHIRTLBVWNC-JAIQZWGSSA-N 377.360 4.186 30 40 GIEB N#Cc1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 42114662 SPKDPYAXQLXRGH-UHFFFAOYSA-N 383.860 4.002 30 40 GIEB COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 66088107 LYGUSYULYRCYJI-OAQYLSRUSA-N 385.419 4.478 30 40 GIEB C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 223731960 DAJNENOWYJHKQY-UHFFFAOYSA-N 386.300 4.379 30 40 GIEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCOCC2)cc1 225781508 MMMLPAVVTVYRGW-UHFFFAOYSA-N 394.471 4.041 30 40 GIEB COC(=O)C(=O)C1=CC(c2ccccc2)=C(c2ccccc2)S/C1=C(/[O])OC 409415823 FCAAVCLDUKCFFF-UHFFFAOYSA-N 393.440 4.216 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 4435989 AKFAWBQEIQCKRJ-SGTLLEGYSA-N 382.876 4.409 30 40 GIEB Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N[C@@H]3C=CC=CC3)n2)c1 4478009 RDLWLVWVDRJHRK-MMTNMYCKSA-N 399.458 4.063 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7017374 LRKIWULLTKXLQG-NRFANRHFSA-N 396.443 4.052 30 40 GIEB C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c(-c3ccccc3)csc21 32074227 PQJQRWSYSZPRDL-UHFFFAOYSA-N 385.452 4.021 30 40 GIEB C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2sc(C)c(C)c2c1=O 32778939 QRSOFHSDQGBXQW-UHFFFAOYSA-N 390.534 4.234 30 40 GIEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 96346547 PVZKFLZDANJKRA-MSOLQXFVSA-N 388.446 4.283 30 40 GIEB O=C(CO/N=C\c1ccccc1OCc1ccc(F)cc1)Nc1ccccc1 107857046 WGUKWZWRMFHNIV-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB C=CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 828345 DNDYIGFSOPDKPQ-UHFFFAOYSA-N 382.419 4.320 30 40 GIEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cc(Cl)ccc1Cl 1045450 IOFPLQLHOQFQAK-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 2487292 FCOCIHLGGZYFBV-RDTXWAMCSA-N 398.528 4.362 30 40 GIEB O=C(C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(Cl)cc1)c1ccco1 2730093 GTBRQEYLTUNLMG-ZDUSSCGKSA-N 394.740 4.239 30 40 GIEB N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 4699641 CGMLKPUWNMWNEB-UHFFFAOYSA-N 375.906 4.279 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC 4918912 HDZYEWCYSPHZKN-DNVCBOLYSA-N 386.469 4.085 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 5739205 ZYDBEIGXEMZKCH-WQRHYEAKSA-N 382.372 4.052 30 40 GIEB Cc1ccsc1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 7614313 KNLWBVSALNOSAN-UHFFFAOYSA-N 396.516 4.058 30 40 GIEB N=C(N/N=C\c1cccc2ccccc12)C(=N)N/N=C/c1cccc2ccccc12 8616587 DQULFKGZAMVBRC-XFPKHNAPSA-N 392.466 4.495 30 40 GIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC)cc1 11913843 MJJZTWNQOFGNRP-FQEVSTJZSA-N 375.424 4.231 30 40 GIEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 12753048 YYSKVDDZSYLQDR-NYYWCZLTSA-N 375.380 4.499 30 40 GIEB CC(C)N(C(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccccc1 13787009 HYMCMNQBEUNPMK-UHFFFAOYSA-N 394.926 4.484 30 40 GIEB CCc1cc(NCc2ccc(-n3ccnc3)nc2)n2c(nc3ccccc32)c1C#N 24927784 FXFYAJIENHOUPX-UHFFFAOYSA-N 393.454 4.114 30 40 GIEB CCOc1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 35190056 XEOYUMVCLDBUCV-DNVJHFABSA-N 383.451 4.201 30 40 GIEB COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 57525262 PIMGNAUQYQQLGO-ZDUSSCGKSA-N 378.350 4.044 30 40 GIEB CC1=CC(=O)/C(=C2/C[C@@H](c3cnn(C(C)C)c3C)Nc3ccccc3N2)C(=O)O1 101942070 QCECODXXUBJUEF-LDSGZGKSSA-N 392.459 4.025 30 40 GIEB C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1OC 218658669 LNNCFZCOFSSYRD-LJQANCHMSA-N 381.472 4.465 30 40 GIEB Cc1ccc(CSc2nc(N)c(C#N)c(COc3ccc(C)cc3)n2)cc1 223687647 ZGLGIJIXAZTOSP-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB COc1ccccc1NC(=O)COc1ccc(/C=N\OCc2ccccc2)cc1 409009283 CUMUPHRNPQJCMZ-IWIPYMOSSA-N 390.439 4.263 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)cc1 409070021 ZEOQNEJIZHXWCN-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB CCCc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585294716 UNFIBOJSGBWCDD-NRFANRHFSA-N 388.475 4.369 30 40 GIEB CCOC(=O)c1sc(=S)n(CC)c1/N=C(\O)c1ccc([N+](=O)[O-])cc1 2316041 UJNODBDSSDYYEW-UHFFFAOYSA-N 381.435 4.020 30 40 GIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccco2)sc1C 5800393 SJERAQNRLPBFHF-INIZCTEOSA-N 398.415 4.275 30 40 GIEB N#Cc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 11374095 QRGKXLSBBMIPFC-UHFFFAOYSA-N 386.333 4.198 30 40 GIEB C[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccccc1)N1CCCCC1 12546129 ODTWKANARRTQIU-MRXNPFEDSA-N 390.516 4.232 30 40 GIEB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 12815936 CRVUCQOKCBAPFJ-IBGZPJMESA-N 398.462 4.340 30 40 GIEB C=CCOc1cccc(NC(=O)c2ccccc2I)c1 14783726 UYBQITDWWPDWNN-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(CC)CC)sc3C)cc21 19820213 JLIJNKGWFQUYKT-UHFFFAOYSA-N 399.516 4.405 30 40 GIEB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960068 ZZCVUJNKRRELCH-MGPLVRAMSA-N 384.486 4.070 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)n1 102875066 LBTHOBRYRBWGBU-NHFXJNLRSA-N 388.398 4.155 30 40 GIEB C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(C)=O)C/C(C)=C/CC/C(C)=C\CC[C@@]2(C)O 102915408 WMGWWFHPPNGBBT-DCLXSWDDSA-N 376.493 4.014 30 40 GIEB CC(C)Cc1nc(SCc2ccc(Br)cc2)nc(N)c1C#N 225893545 MBGDGJDSDQMVBF-UHFFFAOYSA-N 377.311 4.184 30 40 GIEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1O 408781002 PQFCWRHVSLAGLY-DUBROFONSA-N 396.512 4.291 30 40 GIEB CCOc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1I 408904141 FKOGGDUCHNENCZ-NVMNQCDNSA-N 395.196 4.169 30 40 GIEB N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409015849 BYTQARGFNBWCPM-HYARGMPZSA-N 395.418 4.235 30 40 GIEB Cc1cc(C(=O)C[n+]2cccc(Br)c2)c(C)n1Cc1ccccc1 3435264 XDHUHIIACVRVIF-UHFFFAOYSA-N 384.297 4.086 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]21C 4014903 UQWZWQYTKPEDAK-HUUMMWPTSA-N 380.484 4.403 30 40 GIEB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C#N)c1 4166189 LGSMKSPCVSEONF-UHFFFAOYSA-N 380.835 4.312 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)[nH]c2c1 4252317 JPLSNKJYBYFQJI-UHFFFAOYSA-N 398.513 4.114 30 40 GIEB N#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 5894909 XCAKLQURDBJZRE-BOPFTXTBSA-N 384.457 4.129 30 40 GIEB N#Cc1cccc(Oc2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)c1C#N 6591992 GDFIJAUDIOTDLO-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2)n(Cc2ccccc2)c1C 8141979 NMISHJKJOBMDNO-UHFFFAOYSA-N 386.499 4.095 30 40 GIEB C=CCSc1ccccc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 12910037 HUAUDBNGFMCHOD-UHFFFAOYSA-N 380.513 4.398 30 40 GIEB CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccncc3)=C1NC2=O 16778419 LYAOQSVSFFLDFU-UHFFFAOYSA-N 387.464 4.021 30 40 GIEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC2=CCCCC2)CC1 46699145 SWUCKGNOOXFNFD-UHFFFAOYSA-N 394.475 4.029 30 40 GIEB CCN(C(C)=O)c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 96405023 IPQJHZUSGHFMBJ-WQLSENKSSA-N 383.448 4.349 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226691469 AXGLADQVUKIHHX-FBXSLBJOSA-N 388.467 4.158 30 40 GIEB CC(C)Oc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 409056830 JCJIINSUFLPSCJ-WBCKRXDOSA-N 396.468 4.406 30 40 GIEB COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1OC 4660165 KZVLRQSSUOICIS-NVNXTCNLSA-N 392.839 4.388 30 40 GIEB C/C(=N\N=C1/N=C(O)[C@@H](CC(=O)NCc2ccccc2)S1)C1CCCCC1 4820328 XZTKHVAVZUXPCN-DMGPTTAYSA-N 386.521 4.077 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OC)c1 6743259 SSDUSCTVZACFPK-JOCHJYFZSA-N 389.455 4.139 30 40 GIEB CCOc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 6946100 IETIYZKLAVOUJX-UHFFFAOYSA-N 381.883 4.324 30 40 GIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 13136006 ROHGXJVVLVRSCT-BONVTDFDSA-N 387.530 4.287 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(OCc2ccccc2)cc1 14607488 ISOYCCALSXXRJA-IVZQSRNASA-N 386.455 4.125 30 40 GIEB N#Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2)cc1 19325242 WHVVEXDVHQPGFK-UHFFFAOYSA-N 396.294 4.176 30 40 GIEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 32911563 ATLJNLYIJOCWJE-XNZCIUTRSA-N 384.516 4.258 30 40 GIEB C#CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2F)c1C)c1ccccc1 89522471 CLTCDTCGRVCPPS-NRFANRHFSA-N 375.447 4.052 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779065 MIFVAMZSJNFUKL-UHFFFAOYSA-N 384.863 4.297 30 40 GIEB COc1cccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 408805595 HDTQTNGKUMODCY-ONUIUJJFSA-N 388.467 4.184 30 40 GIEB COCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccc(OC)cc1 408935828 OAOMRNBFIZBBHK-GTFONSFASA-N 386.448 4.085 30 40 GIEB Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1cc(Br)ccc1O)C3=O 1066326 ALQMALSJTVNNKY-NVNXTCNLSA-N 399.196 4.186 30 40 GIEB C=C(Br)CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 2271626 AJSRXKUCLAHCKL-UHFFFAOYSA-N 386.340 4.126 30 40 GIEB CCOc1ccc(-c2cnc(NCc3ccc(C#N)cc3)n2CCOC)cc1 4679222 ZIORFNMNCFPRTN-UHFFFAOYSA-N 376.460 4.079 30 40 GIEB Cc1[nH]c2ccccc2c1/C=N/Nc1nncn1/N=C/c1c(C)[nH]c2ccccc12 6200511 KGJDCCYHCWOEOA-YRTOTOJMSA-N 396.458 4.186 30 40 GIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(OC)c(Br)c2)c1O 6464397 RTEPHXVTWBEHPP-GIJQJNRQSA-N 395.209 4.221 30 40 GIEB N#CCSc1ccccc1NC(=O)CNc1ccc(Br)cc1 7277085 UZPNCOSMTSLWBN-UHFFFAOYSA-N 376.279 4.115 30 40 GIEB Cc1ccc(-c2cc(NC(=O)CSc3nc(C)cc(C)c3C#N)on2)cc1 8366099 NPHKYJCICPVYKP-UHFFFAOYSA-N 378.457 4.264 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8769186 BRGCQOHAKVPIIK-XTZNXHDOSA-N 384.411 4.034 30 40 GIEB COC(=O)Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9197721 RZHIVCVIDVOSJQ-LSFURLLWSA-N 390.270 4.245 30 40 GIEB COCc1c(C#N)c(NCc2ccccc2)nc(C)c1NC(=O)c1ccccc1 15084524 VGIOABQJPOYQKB-UHFFFAOYSA-N 386.455 4.273 30 40 GIEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)COc1cccc2cccnc12 95117272 PBECBYYCXHSUCF-GOSISDBHSA-N 396.446 4.424 30 40 GIEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21 223756987 DMWKXTHSFBMXBA-JWGURIENSA-N 375.856 4.066 30 40 GIEB C#CCOC(=O)c1cc(Cl)c(OC(=O)c2cccc(Cl)c2)c(OCC)c1 226307177 OVCMFEHLBLERIU-UHFFFAOYSA-N 393.222 4.401 30 40 GIEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=S)Nc2ccccc2)o1 408960501 MLVWILNPASCITO-MTJSOVHGSA-N 379.441 4.274 30 40 GIEB O=C(O)c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 1184780 QOIYEQPBXLIFLD-YZSQISJMSA-N 397.478 4.106 30 40 GIEB C=CCC(=O)Nc1c(Br)cc(Br)cc1Br 1716780 ICIQJXUPOIWVCD-UHFFFAOYSA-N 397.892 4.489 30 40 GIEB C=CC[C@@H]1C=CC[C@@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 5188465 SBHWYMPHTLLVGA-UPJWGTAASA-N 375.328 4.332 30 40 GIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5254531 HPLPLMVIXOONIX-TZQXVGBESA-N 390.794 4.426 30 40 GIEB O=C(O/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1c(F)cccc1F 5483733 KCBBWHFDXPPNQG-CLCOLTQESA-N 378.334 4.204 30 40 GIEB C#CCOc1c(Cl)cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OCC 7036900 OUQLUJPDMRCQKS-UHFFFAOYSA-N 388.876 4.333 30 40 GIEB CN(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)C1(C#N)CCCCC1 8324672 JDWOKYSOTSEWBU-UHFFFAOYSA-N 396.560 4.161 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(F)cc1 16741383 MEUXIADUIZYNQS-FQEVSTJZSA-N 395.430 4.297 30 40 GIEB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccccc1C#N 28367534 KYTYIHKZYJYMGB-OAHLLOKOSA-N 377.444 4.429 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12 32931240 LMRLEVMGMCWNEG-MOPGFXCFSA-N 377.513 4.066 30 40 GIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccccc1 44085743 HUGYDEQIIQXHPA-UHFFFAOYSA-N 394.456 4.375 30 40 GIEB CCCCN1C(=O)/C(=N\NC(=S)Nc2cccc(C)c2C)c2ccccc21 102977779 GMAJRBDIKMUGDS-NMWGTECJSA-N 380.517 4.141 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409068562 TXCKXIXWIGBQEB-LDADJPATSA-N 396.424 4.396 30 40 GIEB CC(C)CN(CC(C)C)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC(C)C 2361075 NRZNFIRJSWKWNB-KRWDZBQOSA-N 382.508 4.307 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(N(C)C)cc1 4821547 ZRBZZVANWIFELQ-GMAHTHKFSA-N 377.484 4.380 30 40 GIEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CCC)cc1 6075925 DYOKCUFIRHAXFQ-UGSOOPFHSA-N 387.505 4.289 30 40 GIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1 6386249 CYWXDAYESMQPLY-KEBDBYFISA-N 375.881 4.328 30 40 GIEB O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(SC(F)F)cc1 18209097 VEJXVHSJBIGQBK-FPQGOQEYSA-N 391.468 4.166 30 40 GIEB N#CCc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 32748087 ATPAYAXOVFKOCQ-UHFFFAOYSA-N 388.393 4.022 30 40 GIEB COc1ccc(-c2n[nH]c(/N=C(\O)CSCc3ccc(C)cc3)n2)c(OC)c1 58062530 HJERTQXDAOKBCL-UHFFFAOYSA-N 398.488 4.319 30 40 GIEB N#Cc1cc2ccccc2nc1N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 58138297 AQZNBCANJDEDLA-UHFFFAOYSA-N 397.404 4.237 30 40 GIEB CC(=O)Nc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59249815 MKZDLBIVGYPWRL-YBFXNURJSA-N 376.254 4.351 30 40 GIEB N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 67062558 WRXYCAHJUOTCTK-SFHVURJKSA-N 390.270 4.148 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1cccs1 85409755 VEQRNKMQFFRFGL-CQSZACIVSA-N 386.429 4.127 30 40 GIEB CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(/C)O)[C@H]2c2ccc(Cl)cc2)cc1 101152707 PVPLRUMKDASFJZ-XUDLPTGHSA-N 399.830 4.006 30 40 GIEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223748909 ZCXSQWNUZDORIN-KQWNVCNZSA-N 393.846 4.205 30 40 GIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 224860878 FCHVBURIFOXBLZ-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CN(C)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 1098548 ATUGAGFPCOPYIE-KGENOOAVSA-N 388.309 4.102 30 40 GIEB N#Cc1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 1635173 JPWPIMNPAQVILH-UHFFFAOYSA-N 377.450 4.150 30 40 GIEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 4657246 UHDVCAHKSGNPRG-XNTDXEJSSA-N 396.512 4.010 30 40 GIEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccsc2c1=O 8940204 SIZCVMGKQOMCPY-UHFFFAOYSA-N 386.498 4.148 30 40 GIEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 12849283 RXPDJXCUMMBKNY-UHFFFAOYSA-N 376.437 4.391 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608170 KZSPSGRMCGXNHP-BJOHPYRUSA-N 394.422 4.287 30 40 GIEB COCc1cc(C)nc(N/N=C\c2cc3ccc(OC)cc3nc2Cl)c1C#N 30738754 MBCAZSNUDVEOGS-RMORIDSASA-N 395.850 4.064 30 40 GIEB CC(C)CSc1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)s1 39996290 NPXVZURTSRFCIY-ZDUSSCGKSA-N 398.623 4.452 30 40 GIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Br)o1 409101501 UJWVWAHVQVIWEP-UBKPWBPPSA-N 378.104 4.415 30 40 GIEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 575613352 PVWUBOJDSAGOTL-INIZCTEOSA-N 390.365 4.047 30 40 GIEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 5602982 JDBMICBJLKPOMX-HNNXBMFYSA-N 387.892 4.205 30 40 GIEB CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)COP(=O)(O)O 8216794 YHEDRJPUIRMZMP-QZTJIDSGSA-N 381.494 4.265 30 40 GIEB biogenic,in-vitro C=CCn1c(C)nnc1S[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12527600 QGWOIYKKFBWJQR-ITRAFESCSA-N 382.533 4.134 30 40 GIEB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 18195261 OZASPZRQVTUFQZ-NRFANRHFSA-N 387.483 4.324 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)cc(OC)c32)c(OC)c1 18200494 LYJOWSIVOYFYPC-OAQYLSRUSA-N 395.455 4.286 30 40 GIEB CCN1CCN([C@H](c2cccs2)[C@@H](C)/N=C(\S)NC2CCCCC2)CC1 22785093 FHZWVYZVDJZMJA-APWZRJJASA-N 394.654 4.023 30 40 GIEB C=CCc1cc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)ccc1OC 96234430 CAPFQABYQPCDIZ-UHFFFAOYSA-N 383.473 4.198 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 97104870 AWOQOWCGIVPNST-SIKLNZKXSA-N 398.430 4.162 30 40 GIEB COC(=O)c1ccc(N2[C@H](C#N)c3ccccc3O[C@H]2c2ccccc2O)cc1 245226451 XNISWUZRAVUTNA-KNQAVFIVSA-N 386.407 4.341 30 40 GIEB CCOCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1 408929323 WIPAGHSXMJGYDF-ULYVCNGISA-N 398.484 4.041 30 40 GIEB COc1cc(-c2c(C#N)c(C)nc3c2C(=O)c2ccccc2-3)cc(OC)c1OC 1241013 SRQONWMBCRIYIH-UHFFFAOYSA-N 386.407 4.166 30 40 GIEB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 5600177 IHCWFAAPLSXVNR-NDENLUEZSA-N 383.407 4.220 30 40 GIEB C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc3ccccc23)n1 33325180 WXUSEXRYOAFRBM-UHFFFAOYSA-N 385.423 4.238 30 40 GIEB N#Cc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1F 89781019 RLEKKSNEFAWCBG-KRXBUXKQSA-N 377.156 4.198 30 40 GIEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccc(Cl)cc1 104238048 QXUPNJMPGTXONG-GHXNOFRVSA-N 378.171 4.032 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=S 408729746 JERBEPUHMQKMCA-GHRIWEEISA-N 382.872 4.070 30 40 GIEB C/C(O)=N\CCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 2971300 UQOLZPGCGBYESE-UHFFFAOYSA-N 387.892 4.319 30 40 GIEB CN(C=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O)OC(=O)Nc1ccccc1 3118771 LTMUMASGRCKMQV-UHFFFAOYSA-N 398.846 4.335 30 40 GIEB N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 3878649 JXXIPFXSLCWZLE-FSSWDIPSSA-N 383.426 4.206 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C1CCCCC1 4286525 MSYDDHWLYBPASL-UHFFFAOYSA-N 381.505 4.114 30 40 GIEB COc1ccc([C@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@H]2C(C)=O)cc1 4869633 VVHLLIDVSGDNCN-KMDXXIMOSA-N 393.483 4.094 30 40 GIEB Cc1ccc(/N=C2/S/C(=C/c3cccc(OCC(=O)O)c3)C(=O)N2C)cc1C 6033119 AAWISVHBBZUSAK-FYQLEFRXSA-N 396.468 4.001 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@@H](/C=C/c4ccccc4)CC3=O)Nc3ncnn32)cc1 9190063 KDQRDNBPQAAPFX-BFRJVHNNSA-N 398.466 4.248 30 40 GIEB CC(C)CC(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1C#N 40052203 MQGWBLVQTZFBDX-UHFFFAOYSA-N 395.528 4.206 30 40 GIEB N#Cc1cccc(Cn2c(=O)n(Cc3ccco3)c3ccc(C(F)(F)F)cc32)c1 40546119 TXHUCCIUHDRVEY-UHFFFAOYSA-N 397.356 4.383 30 40 GIEB Cc1ccc(-c2cc(C(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)cc1C 252498215 QWXWDUKUYVOSMC-NUGSKGIGSA-N 388.397 4.325 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC=C)C2=O)cc1Br 409103562 AHKGRHOIXZHGQN-GXDHUFHOSA-N 380.263 4.236 30 40 GIEB Cc1c(Cl)cccc1-c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409407637 NEMLTUUSUBVILE-BIPCEHGGSA-N 380.831 4.049 30 40 GIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 1011879 PMDZBKSWLBFVHP-NOQVSKCTSA-N 397.500 4.052 30 40 GIEB Cc1csc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 5319660 JHAKWFYQBGHPSL-UHFFFAOYSA-N 386.502 4.114 30 40 GIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OC(=O)c2ccco2)cc1 5369909 NDZKSKNPKYRRHC-QGOAFFKASA-N 390.420 4.390 30 40 GIEB CCCCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3OC)NC2=O)cc1 7262063 QPFWTXYQTKFDRT-VRMLFSPKSA-N 395.528 4.202 30 40 GIEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 12442671 PWBQTBWODDJPCZ-NHDPSOOVSA-N 388.398 4.189 30 40 GIEB C=CCNc1nnc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)s1 14076708 OULCKOLFAAHYRE-UHFFFAOYSA-N 399.423 4.497 30 40 GIEB Ic1ccccc1/C=N/Nc1nc2ccccc2s1 17077519 GLLWDJKJZPWOIR-CXUHLZMHSA-N 379.226 4.347 30 40 GIEB C=CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)c1nc2c(s1)CCCC2 21973954 ADHHTDJHEYAAON-UHFFFAOYSA-N 395.532 4.489 30 40 GIEB Cc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 409088064 DXZISBUIXWRGGF-LZYBPNLTSA-N 379.170 4.020 30 40 GIEB COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCc1ccccc1 409107827 RCCMEEXCGJOADH-LPYMAVHISA-N 378.388 4.023 30 40 GIEB C=CCn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 2260390 BAAJXUGCBURIIS-UHFFFAOYSA-N 377.835 4.258 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@H]2C(=O)/C(=C/c3ccco3)CC[C@H]12 4533307 ZSHIOALVDOKIOB-XZYNDORESA-N 384.516 4.216 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 4944141 QRTPWBOHSLWBNV-YEJXKQKISA-N 391.446 4.073 30 40 GIEB C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccccc1 5505087 GLJAVVLOWIUVCZ-GOSISDBHSA-N 378.501 4.053 30 40 GIEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CCC)cc1 6075927 DYOKCUFIRHAXFQ-SCLBCKFNSA-N 387.505 4.289 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncnc3sccc23)c1 6115354 CMXFLNVPNXXCPI-UHFFFAOYSA-N 382.514 4.347 30 40 GIEB Cc1noc(C)c1CCC(=O)N1CCS/C1=N\c1cccc(Cl)c1C 32675371 UNSQUCZLFHEFGO-ZZEZOPTASA-N 377.897 4.449 30 40 GIEB O/C(CN1CCC(OCc2ccccc2)CC1)=N\c1nnc(-c2ccccc2)o1 32788592 XZUNGFISGLFVGS-UHFFFAOYSA-N 392.459 4.006 30 40 GIEB C/C(=N\C(=N)Nc1nc(C)c2cc(C)c(C)cc2n1)c1ccccc1C(=O)O 33889309 JOZGGLJJTCPDKM-YDZHTSKRSA-N 375.432 4.109 30 40 GIEB COc1ccc(CC[C@@](C)(O)C#CCN2CCCC[C@@H]2c2cccnc2)cc1 55236059 IRUDFFVUOWSUDD-RPWUZVMVSA-N 378.516 4.004 30 40 GIEB biogenic Cn1c(N)c(-c2ccccn2)s/c1=N/C(=N/c1ccccc1)c1ccccc1 101295055 VCRGUPUKHYPZBZ-CDTUYSNOSA-N 385.496 4.410 30 40 GIEB CCOCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccccc1 101460655 BDXYXLGXDXVEBB-GKVQKNEHSA-N 398.484 4.041 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218407100 XYYYKHYBICHIBT-HSALFYBXSA-N 389.904 4.135 30 40 GIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225829335 ZKYSIVAOEKBPGH-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1059945 BUXQUKSBWFONBK-UFFVCSGVSA-N 395.758 4.138 30 40 GIEB C#C[C@](C)(CC)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 1421822 POXDGMIYDZYJBN-QGZVFWFLSA-N 392.406 4.008 30 40 GIEB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(C#N)cc3)n2N)c1 5320959 AOVRQZHUMFKIOC-UHFFFAOYSA-N 393.516 4.167 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(C)cc4)nc3c2[C@@H]1c1ccco1 5345155 MZXKISCSOQUMAP-GOSISDBHSA-N 386.411 4.080 30 40 GIEB CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1 6755729 VPGDLRXYHMXQFM-VXLYETTFSA-N 377.238 4.262 30 40 GIEB N#Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc2c1CCCCC2 6932261 NTQQMJXMMBGNDD-VAWYXSNFSA-N 380.469 4.084 30 40 GIEB N#CCc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 7814574 LMWKALWMFCWXQH-UHFFFAOYSA-N 380.831 4.361 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(Br)cc2)o1 8183014 VKTLOHKTJIJLOB-RQZCQDPDSA-N 377.267 4.034 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1cccnc1 8471882 MXKRGZQJGMRIDF-MRXNPFEDSA-N 393.516 4.060 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1Cl 19959825 RRGYKHWKFHQLMH-XLKFXECMSA-N 382.773 4.218 30 40 GIEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 22457106 WLDZQMGFZFFYMS-CEMLEFRQSA-N 390.637 4.334 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 101025075 JLESWLOOTYWNIB-HBWVRPOVSA-N 386.423 4.355 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102531979 BNEXQGMSPKTWTI-WOOAAIBNSA-N 394.427 4.125 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3OC)S2)cc1 110701266 WMTGGTLDCSIFMA-XMHGGMMESA-N 381.501 4.433 30 40 GIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893500 DCTRIYUAYSUZDX-UHFFFAOYSA-N 399.299 4.333 30 40 GIEB COc1cccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)c1 225849222 JUBOGXLIUHKMIV-UHFFFAOYSA-N 384.439 4.126 30 40 GIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1OC 3236855 WJSZYQCPEYEMBL-UHFFFAOYSA-N 399.516 4.049 30 40 GIEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12374172 PEWJYZCGNOVKAR-UUYOSTAYSA-N 389.908 4.323 30 40 GIEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 13628446 WPCAMLZJLKNWCG-WQRHYEAKSA-N 380.396 4.041 30 40 GIEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2C)c2ccccc21 16362885 BEXWVHBZQAZDEU-RUZDIDTESA-N 395.462 4.453 30 40 GIEB COc1cccc(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1O 16923199 ZGHZQDIFNXNVEW-HYARGMPZSA-N 396.468 4.261 30 40 GIEB COc1cc(/C=N/OCc2cc(Cl)c3c(c2)OCCO3)cc(Cl)c1OC 32888488 ABBGQKLQVZTHFB-ZVBGSRNCSA-N 398.242 4.333 30 40 GIEB CCCOc1ccc(Br)cc1/C=N\OCC(=O)Nc1ccccc1 34860906 DCSRTHZEHHCRKF-NDENLUEZSA-N 391.265 4.227 30 40 GIEB CC(=O)N(c1ccccc1)c1nc(/C=C2/COc3ccccc3C2=O)cs1 96767429 UAFAETBDDRLCGO-PTNGSMBKSA-N 376.437 4.486 30 40 GIEB O=C1C2=C(N=C3CCCC(O)=C3[C@@H]2c2cc([N+](=O)[O-])ccc2O)c2ccccc21 102930657 MLVQOHZSCCVBIG-SFHVURJKSA-N 388.379 4.442 30 40 GIEB O=C1/C(=N\Nc2cccc(Cl)c2Cl)c2cc(F)ccc2N1C1CSC1 223754467 NEOAZKBIRGGZOA-JWGURIENSA-N 396.274 4.411 30 40 GIEB CC(C)(CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccnc1 1219007669 HXPOKBNNXAUWQG-UHFFFAOYSA-N 387.443 4.240 30 40 GIEB O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 721393 SXWOUAAMTWFIGS-CMDGGOBGSA-N 378.369 4.363 30 40 GIEB CC(C)(O)C#Cc1ccc([C@@H]2SCCN2C(=S)Nc2ccccc2)cc1 1101470 WZALPTJZAHLRKP-IBGZPJMESA-N 382.554 4.253 30 40 GIEB Cc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1C 3379116 BTWMVDRESUQQJU-ZDUSSCGKSA-N 396.512 4.086 30 40 GIEB CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1cccc(OCc2ccccc2)c1 6053347 DJVRCVROTCDSOB-OAQYLSRUSA-N 376.456 4.263 30 40 GIEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 9014018 QVPYTQGIXUFFMQ-JLTOFOAXSA-N 376.847 4.347 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(F)cccc3F)c2)c1 12776000 OQBIOZMDAZPBOJ-UHFFFAOYSA-N 391.373 4.404 30 40 GIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 20171971 BKXOGYZZWFNIQF-LJQANCHMSA-N 398.528 4.058 30 40 GIEB COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O 20403688 RJSRJXCJDWRSJK-UHFFFAOYSA-N 399.454 4.181 30 40 GIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nnc4c(n3)[nH]c3ccccc34)o2)cc1 33940581 KHPMEKXYQOBSGK-NHDPSOOVSA-N 399.370 4.120 30 40 GIEB CC[C@H](C)/N=C(\C)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 95108940 GISAQIXBQRRWCH-LCCAPQRVSA-N 382.411 4.402 30 40 GIEB FC(F)(F)c1cnc(I)cc1C(F)(F)C(F)(F)F 97949904 HSLHAJZFQKUBLQ-UHFFFAOYSA-N 390.999 4.359 30 40 GIEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1C 107874319 PKFHNMIAPACSJY-UHFFFAOYSA-N 394.456 4.323 30 40 GIEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916049 AKMGOLMVBIBATQ-ZZZWQVCDSA-N 382.548 4.386 30 40 GIEB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C2(C#N)CC2)cc1 223004919 MKRUDYOAFUTLCA-UHFFFAOYSA-N 376.865 4.095 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)SC1=S 408808200 FEAFQHIWMFZSSM-BOPFTXTBSA-N 399.493 4.429 30 40 GIEB CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408913900 VAKFMYDLMQVLEZ-QHHAONBESA-N 383.429 4.314 30 40 GIEB CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Br)cc2)nc1C 2196853 JBZONHCMJIJKNP-UHFFFAOYSA-N 389.274 4.202 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 2201155 MAJHJPAVDGPNSF-MAUKXSAKSA-N 389.245 4.361 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)o2)c1 2625349 URVUYQKGESYANA-UHFFFAOYSA-N 398.513 4.454 30 40 GIEB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCCC1 6326873 NNRPXRWXTLSZEJ-LBPRGKRZSA-N 390.896 4.213 30 40 GIEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 8326876 PFVVUJLWJRPDCQ-ZBEGNZNMSA-N 385.489 4.126 30 40 GIEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 15808212 YAZXOHPXEDVIDG-CQSZACIVSA-N 389.904 4.480 30 40 GIEB COc1cc(C#N)cc(I)c1OCc1ccc(Cl)cc1 33708893 BUEVHAUDCJQXKC-UHFFFAOYSA-N 399.615 4.404 30 40 GIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)[nH]c3ccc(F)cc13)=C2 62001336 KXDLFVHDFRTDKT-UHFFFAOYSA-N 394.446 4.344 30 40 GIEB biogenic CCCCCCCn1c(=N)n(C[C@H](O)COc2ccccc2)c2ccccc21 100616732 GKHLNXLRARFWTC-IBGZPJMESA-N 381.520 4.333 30 40 GIEB C=CCc1cc(C=O)ccc1OCc1ccc(I)cc1 408853793 SEHLOFGZFOBWIA-UHFFFAOYSA-N 378.209 4.411 30 40 GIEB C/N=C1/S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)N1C 408928878 FPQVZAAVEOKTFI-ZDYCKTBTSA-N 389.908 4.288 30 40 GIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1O[C@@H](C)CC 408929922 PRPACCDYYWHUFG-ZCKZRKMCSA-N 382.913 4.448 30 40 GIEB COc1cccc(/C=N/c2cccc(Br)c2)c1O[C@@H](C)C(=O)O 409230748 GATJIIMVYQOYJS-VSMYLPJWSA-N 378.222 4.060 30 40 GIEB N#Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 1106211 PLQKZXQQLALJNC-UHFFFAOYSA-N 396.859 4.105 30 40 GIEB COc1ccc2ccccc2c1/C=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12 4480984 IQZLCILFBMJFQR-FSJBWODESA-N 382.427 4.422 30 40 GIEB COC(=O)N1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 5255575 APJVEYPPEBTXBA-UHFFFAOYSA-N 391.452 4.150 30 40 GIEB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1C 7575805 WONWUTYUSVNEFP-VWLOTQADSA-N 395.462 4.171 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 14095402 ZCJSLURACNVHER-QFIPXVFZSA-N 385.467 4.385 30 40 GIEB Cc1ccc(OCCCN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1 46084909 XETQUVIDTOWUTP-PGMHBOJBSA-N 379.243 4.296 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=N)[C@H]1CCC[C@H]1S2 101228827 ZIWQKINRDNGATQ-GOEBONIOSA-N 383.542 4.265 30 40 GIEB C[C@H]1CCC[C@@H]1/C(=N\S(=O)(=O)c1cccc2cccnc12)N1CCCCC1 104094538 FXDROURZMAFNBJ-RPRDOWANSA-N 385.533 4.244 30 40 GIEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 260724369 ZJLJOJQLLYFQND-OAHLLOKOSA-N 383.521 4.120 30 40 GIEB COCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 409373123 MCUAFNPXEWDKHZ-AHDBMNBVSA-N 382.485 4.259 30 40 GIEB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)o1 409385041 IENACELFKKMLCU-SSDVNMTOSA-N 395.367 4.014 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 6295709 RCYCDUIFYCCEMP-VZUCSPMQSA-N 375.258 4.289 30 40 GIEB COc1ccccc1[C@H]1N/C(=N\c2cccc(C)c2C)N=C2N=C(C)C=C(O)N21 8997370 DZAKCSVFUMPWKK-FQEVSTJZSA-N 389.459 4.133 30 40 GIEB CCOc1cc2c(cc1NC(=O)c1c(C)oc(-n3cccc3)c1C#N)O[C@@H](C)C2 12898068 ABMCLVYZQMLILD-ZDUSSCGKSA-N 391.427 4.225 30 40 GIEB COc1cccc(C(=O)OCCNc2nc3cc(C)cc(C)c3cc2C#N)c1 19124374 RKOKMCUARWAHAF-UHFFFAOYSA-N 375.428 4.001 30 40 GIEB CC(=O)[C@@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 108520074 LKNUEHIZNUCUFJ-TYPHKJRUSA-N 375.378 4.081 30 40 GIEB C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344299 BULWTDNFRZGXNP-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(C)c3OC)S2)cc1 408955735 YVUYXFBKXHMIEY-LDADJPATSA-N 398.484 4.303 30 40 GIEB COc1ccc(Cl)cc1N/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 409060696 TUXQBPNZCOATTG-BQYQJAHWSA-N 377.824 4.183 30 40 GIEB COc1cccc(/C=N\c2ccccc2O)c1OCc1ccc(C(=O)O)cc1 409186476 CMCYPRZVLGGKPS-QRVIBDJDSA-N 377.396 4.429 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1 409292728 FZISANSQQXFXIH-QKEQRFSHSA-N 386.249 4.252 30 40 GIEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Br)c(Cl)c1)OCO2 727767 UFZKFSNCJZHLSR-UBKPWBPPSA-N 383.585 4.490 30 40 GIEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 894751 WYMDKIWQIAOKDA-UHFFFAOYSA-N 383.517 4.105 30 40 GIEB CC(C)(C)C1=CC(=NS(=O)(=O)c2ccc(F)cc2)C=C(C(C)(C)C)C1=O 3098755 DPPDWIRNRKOMDJ-UHFFFAOYSA-N 377.481 4.483 30 40 GIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)C#N 5416500 NGELDEVXXJTSEB-OALUTQOASA-N 396.372 4.491 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 6479178 FRSLATDCHOBJLV-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(-c2ccccc2)n1 7886328 MFODRBWZOHPSJN-JOCHJYFZSA-N 383.455 4.193 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 8958774 GUSRNONNHJNCEE-UHFFFAOYSA-N 378.472 4.493 30 40 GIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 12323433 QJBGDNJKUXOVFT-XIKOKIGWSA-N 394.456 4.119 30 40 GIEB COc1ccc(-c2cc(C(F)F)c(C#N)c(SCC(C)=O)n2)cc1OC 15082518 PWPNCCYZJYLEAN-UHFFFAOYSA-N 378.400 4.256 30 40 GIEB C=CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c2nn(-c3ccccc3)c(=O)c-2c1 17052852 KMPSSPRMRKZSQA-UHFFFAOYSA-N 398.466 4.194 30 40 GIEB CN1C(=N[C@@H](CO)Cc2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 35907579 RAFFEHDNCQXIQG-DSITVLBTSA-N 399.538 4.306 30 40 GIEB C[C@@H]1CCc2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C1 37143001 QGYLHWXOPWRVQH-QGZVFWFLSA-N 393.556 4.093 30 40 GIEB CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC 98050494 IJNUDZOUMCJMQD-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F 101315671 BMWNXJGSLDSXRS-OACQNMCBSA-N 380.419 4.057 30 40 GIEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cc(Cl)ccc1Cl 101422519 ANZYEVRVEBLSOA-HMMYKYKNSA-N 392.202 4.092 30 40 GIEB N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100360 JAFVSHPLAVNNPP-XMMPIXPASA-N 391.490 4.358 30 40 GIEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 1125647710 NJTDNRFEWVANNL-DFQSSKMNSA-N 398.275 4.136 30 40 GIEB COC(=O)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1 2095079 DTNXUFAEPOLTBR-DDRRTAJHSA-N 386.860 4.360 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 2372839 BLRRPGWQQPUFRP-MJHJUBQXSA-N 394.544 4.305 30 40 GIEB C=CCNC(=S)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205879 KXBZSPOBZNNXDC-UHFFFAOYSA-N 397.440 4.447 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(OC)cc4)[C@H]3C[C@H]12 4043835 FJUTWCVPMLKPLN-DXHZJSNDSA-N 383.532 4.142 30 40 GIEB biogenic C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccccc1OC 4512761 GVNUEDCGMXJTSO-UHFFFAOYSA-N 378.432 4.274 30 40 GIEB Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C 4672380 RYCBRCZZTJRNED-UHFFFAOYSA-N 383.517 4.105 30 40 GIEB O=C(OC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 4681793 SRVKFRCQSKJYGS-UHFFFAOYSA-N 399.358 4.242 30 40 GIEB CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(C)c(C)c2)S1 5546184 ZJXYZVBRSKPVKH-BTVXTAIASA-N 395.528 4.256 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6188957 WURLKLSPCJILGB-FRKPEAEDSA-N 380.154 4.030 30 40 GIEB N#Cc1cccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)c1C#N 6526183 GCLRUBCQGGLYHA-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)c(=O)c1C#N 8391697 MBKFARZUWYPCPT-UHFFFAOYSA-N 387.464 4.166 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960100 WLTYYEFTVCNFQX-ACJLOTCBSA-N 378.457 4.009 30 40 GIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 23127137 KJXOYUKLCJDWIG-NDENLUEZSA-N 390.464 4.154 30 40 GIEB N=C1S/C(=C\c2cc(Br)ccc2O)C(=O)[C@@H]1c1nccs1 34895810 WOWLWWZFGIYJBK-JHLMFHBZSA-N 381.276 4.029 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 97104872 AWOQOWCGIVPNST-DENIHFKCSA-N 398.430 4.162 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 102434566 RODDIZGEKSXMLZ-MRJHHRETSA-N 384.435 4.012 30 40 GIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(Cl)ccc3OC)C2=O)s1 107760550 GIJHBFPGKDFVET-XRKISCQYSA-N 379.894 4.180 30 40 GIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(F)cc1 409061687 ZWTNUQBELBUFTN-UFFVCSGVSA-N 385.420 4.264 30 40 GIEB Cc1ccc(CCCN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585295043 YHMSURNUEXPGJI-IBGZPJMESA-N 393.516 4.246 30 40 GIEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3322798 IVIIMTPSMYXPMJ-UHFFFAOYSA-N 386.860 4.076 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)cc1 4116310 OFMKWEQNGGUDMK-ONTRVFCTSA-N 376.456 4.226 30 40 GIEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCCC 5416850 AZAHSHGIAQOGOI-SFHVURJKSA-N 393.535 4.336 30 40 GIEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O 5463453 MEOLCQNMOQSJQS-CIAFOILYSA-N 395.371 4.295 30 40 GIEB COc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c(OC)c1OC 5520026 OWCIANPAUJJLNK-AUEPDCJTSA-N 398.488 4.042 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)n1 5642211 NLHPEOMWOBWRIO-QGZVFWFLSA-N 383.517 4.142 30 40 GIEB C=CCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854525 TVUIQAYXENYAJN-UHFFFAOYSA-N 383.336 4.043 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccccc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 13142144 DIJKNMOLRVCFHV-SMIHKQSGSA-N 393.483 4.094 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=N)[C@H]1CCC[C@@H]1S2 101228825 ZIWQKINRDNGATQ-HOCLYGCPSA-N 383.542 4.265 30 40 GIEB O=C1c2ccccc2C(=O)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F 102034742 NNTCQXQYELVCPE-UHFFFAOYSA-N 389.173 4.019 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 104740978 AQWNCLDMYQTLAB-FQEVSTJZSA-N 387.435 4.005 30 40 GIEB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)cc1 409356877 HAXACHSFXLQNFN-AQTBWJFISA-N 396.493 4.393 30 40 GIEB C[C@@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCC2 1102474 FCIOKRPXKFICSS-SNVBAGLBSA-N 391.290 4.277 30 40 GIEB N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270839 KXEQUAXZSIGHRO-UHFFFAOYSA-N 398.249 4.327 30 40 GIEB COc1cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1OC 5864566 IRORMKXGODJXQY-QPJQQBGISA-N 389.761 4.226 30 40 GIEB NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 6276584 IVPMYGCULZVXQQ-CNHKJKLMSA-N 384.686 4.214 30 40 GIEB CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 8450005 FDZIZJWPHNBTAW-LPTDTENNSA-N 383.488 4.488 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9484247 FJCSFSXIQJCVHR-ORAYPTAESA-N 378.457 4.009 30 40 GIEB COc1cc(OC)c(/C=N/NCc2ccc(Cl)cc2)cc1Br 10118846 NLPDXNXCXVLDAF-KEBDBYFISA-N 383.673 4.243 30 40 GIEB Cc1nnc(/N=C(\O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)s1 19288331 OIIDYKVMAYZGJO-UHFFFAOYSA-N 390.896 4.028 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 20672373 RPPDAHZHNJLPGR-NRFANRHFSA-N 389.455 4.453 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608172 KZSPSGRMCGXNHP-VFZGTOFNSA-N 394.422 4.287 30 40 GIEB C[C@@H]1CCN(C[C@@H]2C(=O)O[C@H]3[C@H]2C[C@@H](C)[C@@H]2CC[C@@]4(C)O[C@H]4[C@@H]32)CC(C)(C)C1 72324079 CYCHSGXOIJOGQH-QFVXHACGSA-N 389.580 4.126 30 40 GIEB biogenic COc1ccc2c(ccn2CC/C(O)=N/c2nc(-c3ccccc3OC)n[nH]2)c1 95475702 DJWBHCKRVNAJEI-UHFFFAOYSA-N 391.431 4.122 30 40 GIEB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2SCCC#N)CC1 95953601 CDQZRIAQVKVAOB-UHFFFAOYSA-N 389.521 4.278 30 40 GIEB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c(C#N)cnn32)c(OC)c1 102840076 QNVQSMNFJKXXLF-IBGZPJMESA-N 378.432 4.080 30 40 GIEB CCCC/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccco1 102926688 KPSAYESBGJBASR-MOUWUNSVSA-N 385.489 4.410 30 40 GIEB CC1(C)CC(=O)[C@H]2[C@H](C1)Nc1ccccc1N(C(=O)CS)[C@@H]2c1ccco1 223863048 IQKJLPLQZHVKRW-VHKYSDTDSA-N 384.501 4.083 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C#N 225781267 LPEKFTJDBRDDCI-UHFFFAOYSA-N 394.471 4.043 30 40 GIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1 225817892 VZKJJFPYGPEWMC-UHFFFAOYSA-N 380.473 4.096 30 40 GIEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)Nc1ccc(Cl)cc1 225861279 PIAZYGFURCQUNZ-UHFFFAOYSA-N 399.281 4.478 30 40 GIEB C=CCc1cc(/C=N/c2ccc(OC)c(Cl)c2)cc(OC)c1OCC(=O)O 408851743 NKBNXFKMYBBRQK-SSDVNMTOSA-N 389.835 4.300 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1cccs1 5214323 NBEZILFAOYZIGB-FOWJPOPOSA-N 399.541 4.209 30 40 GIEB O=C1CCCC(O)=C1[C@@H]1C2=C(CCCC2=O)Oc2ccc(Br)cc21 5323263 PJCMNWJPRBHCHC-QGZVFWFLSA-N 389.245 4.497 30 40 GIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cccc(Cl)c3Cl)c2)c1 5861915 AVCOLFFBJCWFPQ-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 6128615 JWGHUVPQPWSQGQ-AWEZNQCLSA-N 389.484 4.136 30 40 GIEB C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 11460404 ZJZCCBVFPZUAHE-UHFFFAOYSA-N 394.496 4.291 30 40 GIEB CCOC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 41554199 ZBQFDKRNBKGXDD-CQSZACIVSA-N 377.322 4.159 30 40 GIEB C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2c3ccccc3ccc21 100910051 DIKUHTLZCFLWEH-VHXPQNKSSA-N 384.460 4.433 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102708907 LQRVYCAMUJLBOD-WOOAAIBNSA-N 392.386 4.057 30 40 GIEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224804686 KQBVYPXUKGPDPW-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2C)c1 227116511 JCVFLAYUPVFUBF-UHFFFAOYSA-N 382.279 4.123 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3OCC(N)=O)c2C#N)C1 409213855 VWLJKZVZPKWSSY-WWPWHYENSA-N 395.528 4.385 30 40 GIEB C=C(C)CN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889108896 QKADFPOZGNCZAQ-UHFFFAOYSA-N 376.865 4.360 30 40 GIEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 864799 MQEGMSPGABXAMS-RGVLZGJSSA-N 395.684 4.395 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1CC 2346856 SUDNAXRPVVNEDB-UHFFFAOYSA-N 398.557 4.410 30 40 GIEB COC(=O)c1c(/N=C/c2cc(C(C)(C)C)ccc2O)sc2c1CCN(C)C2 4150668 XLFYPLODGOSRJR-SSDVNMTOSA-N 386.517 4.276 30 40 GIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)C#N 5416508 NGELDEVXXJTSEB-RBUKOAKNSA-N 396.372 4.491 30 40 GIEB CCOC(=O)Cn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 6318982 OYBBEKXROSXHBW-SRZZPIQSSA-N 378.457 4.260 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12391035 ORXHGHMGFLVRJW-UHFFFAOYSA-N 379.460 4.456 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19228794 SUXCWUCCDQXWJV-FQEVSTJZSA-N 382.504 4.419 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 19229255 RHKMCVYSTAFDEO-HXUWFJFHSA-N 382.504 4.419 30 40 GIEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3ccc(Cl)cc3)[nH]2)cc1 20555629 VELSZWOBNWZOOS-UHFFFAOYSA-N 399.907 4.082 30 40 GIEB Cc1nn(-c2ccccc2)c(CSc2nc(-c3cccs3)n[nH]2)c1C#N 27212472 OSRDIECJHBXJDW-UHFFFAOYSA-N 378.486 4.191 30 40 GIEB CCN(CC)C(=O)[C@@H](Sc1nc(C)c(C(C)=O)cc1C#N)c1ccccc1 32741627 LXKYHIWUKSKZSC-IBGZPJMESA-N 381.501 4.166 30 40 GIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N1C 408907324 BCGQZFVKMXZFPC-DLTWUOELSA-N 380.469 4.269 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1cccc(C)c1 409096543 FYSRNWJIKOTUFF-YDZHTSKRSA-N 392.415 4.332 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccs2)o1 796028 NGUMIZVYGXKONT-IBGZPJMESA-N 393.464 4.471 30 40 GIEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1834193 FMANVFWMLYNDLB-UHFFFAOYSA-N 396.453 4.321 30 40 GIEB C=CC[C@H]1C=CC[C@@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 5188431 SBHWYMPHTLLVGA-XQQFMLRXSA-N 375.328 4.332 30 40 GIEB C/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1cccc([N+](=O)[O-])c1 5781982 LKDLZMBQJLNFIK-MDCRQLBCSA-N 378.866 4.252 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12938300 LWOKLIDTQSJCER-OAHLLOKOSA-N 391.496 4.341 30 40 GIEB C=CCc1cc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)ccc1OC 19559148 UZLXSJVDUUWPGD-UHFFFAOYSA-N 375.472 4.320 30 40 GIEB N#Cc1ccc(OCCOC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 19606090 TYIGRSGBLVOSRF-GOSISDBHSA-N 383.469 4.065 30 40 GIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 33011198 KGSNSWOFFQXKLZ-UHFFFAOYSA-N 375.453 4.360 30 40 GIEB CCCCCCCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 59211786 WMOFQDCKZHOODH-UHFFFAOYSA-N 382.504 4.455 30 40 GIEB N#C/C(=N\Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 104824338 OWYFZKRRFOCQNM-ZVHZXABRSA-N 392.633 4.223 30 40 GIEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408707754 DOURFCGKGMEMFZ-UHFFFAOYSA-N 389.540 4.020 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1 409302976 GCRJCOCNCFLZBR-UHFFFAOYSA-N 390.668 4.257 30 40 GIEB CC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 1646334 IOWFRTLFVZLMAW-BOLBSKSFSA-N 384.516 4.384 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)no1 5800484 YFOIZDJRBJUDFX-GOSISDBHSA-N 394.814 4.419 30 40 GIEB C=C(Cl)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 6365307 ZIJYDVGSZYYZGB-UHFFFAOYSA-N 386.860 4.017 30 40 GIEB N#Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 7596588 XPBGRODWUDEWJJ-UHFFFAOYSA-N 378.819 4.066 30 40 GIEB Cc1cccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc3ccccc32)c1 8012390 JNAIVVBISXXLCA-QFIPXVFZSA-N 392.528 4.481 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(Cc2ccccc2)c1C 8308353 PYEQXWXCHNOZQH-UHFFFAOYSA-N 384.483 4.026 30 40 GIEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 17201380 PXLSRJKJVODEMP-QRVBRYPASA-N 394.600 4.478 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 18197329 VECJRYUQXNQDIY-VOJFVSQTSA-N 382.876 4.409 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCC)C3 19940223 SFKKRTIIRBCYQW-UHFFFAOYSA-N 397.569 4.493 30 40 GIEB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960080 ZZCVUJNKRRELCH-HWPZZCPQSA-N 384.486 4.070 30 40 GIEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc(C)cc2)c1=O 28537802 DXSWTOLTMGAZCT-UHFFFAOYSA-N 394.500 4.177 30 40 GIEB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(C#N)cc2)CC(O)=N3)cc1 40284034 KFCKVNAXCOHPNR-KRWDZBQOSA-N 387.395 4.179 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 58017665 FTVGCDUZPSCRDJ-OAQYLSRUSA-N 396.918 4.065 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 102532780 DOQVKLIILKZADR-JBCNATCCSA-N 384.435 4.325 30 40 GIEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cc(F)cc32)cc1 223749588 OJYDYIFIQSCLPR-MOHJPFBDSA-N 387.455 4.366 30 40 GIEB C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)C[C@@H]12 299817435 CFUPNMDNSQIWBB-IUYOBALFSA-N 390.520 4.260 30 40 GIEB biogenic,in-vitro CCCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707091 JMQPLCVHOOKKAX-UHFFFAOYSA-N 380.532 4.411 30 40 GIEB C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 934566 LFIHLRMKDMQVNZ-CHWSQXEVSA-N 390.281 4.370 30 40 GIEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 1084559 RZUZDFAYZXCLMA-DJKKODMXSA-N 382.272 4.101 30 40 GIEB COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C#N 3496607 YEZZBZOPUAEGGV-INIZCTEOSA-N 394.500 4.175 30 40 GIEB CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 4024674 RKHFVNGOTJXVKF-QFIPXVFZSA-N 379.431 4.393 30 40 GIEB CC1(C)Cc2c(sc3nc(SCC#N)n(C4CCCCC4)c(=O)c23)CO1 4338771 DTGOBGBWHBECIW-UHFFFAOYSA-N 389.546 4.430 30 40 GIEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5323848 QWERSAGBOIHMAR-VGSWGCGISA-N 386.455 4.093 30 40 GIEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)[C@H]1COc2ccccc2O1 6259519 HBGKDKAMQSVWEG-DPPKGPFUSA-N 388.876 4.051 30 40 GIEB C=CCc1cc(OC)ccc1Oc1ccc2nnc(-c3ccccc3OC)n2n1 12322476 XFRFKPZUMHMOHI-UHFFFAOYSA-N 388.427 4.329 30 40 GIEB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 12815929 CRVUCQOKCBAPFJ-LJQANCHMSA-N 398.462 4.340 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(O)c(O)c1)OCO3 18197457 OZQRSYUUHFXYHY-FQEVSTJZSA-N 379.412 4.027 30 40 GIEB COC(=O)c1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1 59224367 SNPMQTAFCGBUBI-SXGWCWSVSA-N 386.860 4.327 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1cccs1 97105069 JRCMECKZXZITTI-OXJNMPFZSA-N 386.469 4.085 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 100495274 FZFSQEQGENJAEG-NRFANRHFSA-N 396.531 4.308 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1cc(C)cc(C)c1 102962033 CUOJDZHLWJCQFZ-DRGFOCDESA-N 393.512 4.450 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369265 AKMGOLMVBIBATQ-VGYHTYPGSA-N 382.548 4.386 30 40 GIEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(F)cc1 409145382 OFWUYPXCMCEZMY-FQFCRJGYSA-N 396.421 4.052 30 40 GIEB N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)c3ccccc3)c2)cc1C#N 990862 OHYQNKSRBMUFHJ-UHFFFAOYSA-N 382.375 4.262 30 40 GIEB O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2096620 PSQXFPKCQDMMEO-UHFFFAOYSA-N 384.154 4.002 30 40 GIEB CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2740686 KFFTZJOQEVBEDA-UHFFFAOYSA-N 381.523 4.243 30 40 GIEB COc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)cc1OC 4859749 AVBMADUELRNCEM-ZMOGYAJESA-N 385.427 4.155 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccncc1)n1c(nc3ccccc31)N2 7496052 PFATZXYKDNSTTQ-QRQCRPRQSA-N 382.423 4.440 30 40 GIEB COc1cc(/C=C/C(=O)N2CCCSc3ccccc32)ccc1OCC#N 7736672 KBUWPWPJBUZAPE-CSKARUKUSA-N 380.469 4.140 30 40 GIEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 12524428 NUYDTCZOMUMFOE-XIEYBQDHSA-N 391.393 4.447 30 40 GIEB N#Cc1cc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1Cl 12947740 SOHVATHFGPTUPB-UHFFFAOYSA-N 384.892 4.464 30 40 GIEB C#CCOc1cccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 36741536 QTPXQPWVRRSAKP-UHFFFAOYSA-N 380.394 4.190 30 40 GIEB N#CC1(NC(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCCC1 84452294 ZLOJRNZMELBURZ-UHFFFAOYSA-N 396.438 4.407 30 40 GIEB Cc1cc(C(F)(F)F)nn1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676870 KVCHGABVZFIAIW-UHFFFAOYSA-N 396.131 4.319 30 40 GIEB Cc1nc(N2CCOCC2)sc1C(=O)/C=C\c1ccc(Cl)cc1Cl 97436741 RSZCKZXKIATMBM-HYXAFXHYSA-N 383.300 4.491 30 40 GIEB C=CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cccc(OC)c21 100909672 VEVFBTNUTWJBRR-VZCXRCSSSA-N 381.482 4.248 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc2ncccc2c1 408968462 ZBGINASVRWKIQT-WYMPLXKRSA-N 386.415 4.392 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 6584088 JLESWLOOTYWNIB-FKNXBIFSSA-N 386.423 4.355 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)cc1Cl 7857035 JRARUQYZYUJYHZ-UHFFFAOYSA-N 380.835 4.032 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccnc3)cc2)cc1 12521177 FVUNWINEXUGINQ-AWNIVKPZSA-N 378.453 4.087 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c(OC)c1 20624389 KHDVPNBTGXEIIJ-MTJSOVHGSA-N 395.455 4.012 30 40 GIEB biogenic CCCCCCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C 101454114 GLOYARVYCIAISW-UHFFFAOYSA-N 387.505 4.326 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 102874559 NZCSUTDUEAEMHD-JBCNATCCSA-N 393.483 4.187 30 40 GIEB O=C(O)c1ccc(N/N=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1 408955173 OEENGLILEZDOBO-YDZHTSKRSA-N 378.359 4.189 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 2055482 UMUARLXPRSZNEU-FQEVSTJZSA-N 381.472 4.028 30 40 GIEB COc1ccc(/C=C/C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)cc1 2737655 RFABYHQJOAPPSV-JXMROGBWSA-N 384.457 4.154 30 40 GIEB CCN(CC)c1ccc(/C=N/OCC(=O)N(Cc2ccccc2)C(C)C)cc1 3293466 UHEPDRRILHVSCI-LFVJCYFKSA-N 381.520 4.321 30 40 GIEB Cc1c(/N=C/c2ccc3c(c2)C(C)(C)[C@@H](C)N3C)c(=O)n(-c2ccccc2)n1C 4116090 SIIHVDLKAISAJM-SCELWYEFSA-N 388.515 4.351 30 40 GIEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@H]2C(=O)/C(=C/c3ccco3)CC[C@H]12 4533309 ZSHIOALVDOKIOB-RZIQQFPFSA-N 384.516 4.216 30 40 GIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2OC)c1=O 4667428 LOUZRQHELRVYBC-DHZHZOJOSA-N 388.261 4.146 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccccc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 5157683 DIJKNMOLRVCFHV-TZRRMPRUSA-N 393.483 4.094 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccccc1 5347520 VEYVLEOZPWPYKQ-QGZVFWFLSA-N 388.452 4.240 30 40 GIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccccc1F 5376930 XFYCKAGLJAKQEO-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB C[C@H]1CCN(C[C@@H]2C(=O)O[C@@H]3[C@@H]4[C@@H](CC[C@@]5(C)O[C@@H]45)[C@H](C)C[C@H]32)CC(C)(C)C1 5529349 CYCHSGXOIJOGQH-SJFLEOHNSA-N 389.580 4.126 30 40 GIEB CCCCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1 6138486 APXSMPRSYIPXLT-VRMLFSPKSA-N 395.528 4.202 30 40 GIEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 7605291 VZHYKZMNMOYWEG-LLVKDONJSA-N 390.534 4.193 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)no1 8856751 KJAGRZNELDOZMF-INIZCTEOSA-N 384.775 4.012 30 40 GIEB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@H](C(=O)C1=CCC=C=C1)c1ccccc1 104285781 LWLQRDQENYMWAO-CVDCTZTESA-N 391.854 4.182 30 40 GIEB CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118933012 VUBSNEZHSXMUCR-UAVHNUEZSA-N 386.532 4.225 30 40 GIEB C=CCOc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260732704 AIAZFKAOFYKDOL-QGZVFWFLSA-N 381.545 4.379 30 40 GIEB COc1cc(C)c(/C=N\c2ccccc2I)cc1OC 408548209 DWTZIRDPSRWBED-ZDLGFXPLSA-N 381.213 4.367 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409129434 GCKNYWYZYIKNGW-CXUHLZMHSA-N 390.270 4.480 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C#N)c1C 996643 USHRAQSTNWRPEY-JKSUJKDBSA-N 381.501 4.152 30 40 GIEB Cc1ccc(-c2ccc(/C=N/Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl 4520429 OJNREFANEQQHCL-SRZZPIQSSA-N 389.864 4.002 30 40 GIEB COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1O 4704712 XRULFBOSCZKROQ-AUWJEWJLSA-N 378.812 4.085 30 40 GIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1OC 7759175 OPULTZBDEIIZQN-UHFFFAOYSA-N 397.862 4.156 30 40 GIEB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9049168 ZVSVQEIQZZEAIE-BTYIYWSLSA-N 388.423 4.352 30 40 GIEB COc1cc(C#N)ccc1OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14777273 ZDUOEEHZHBLYRD-UHFFFAOYSA-N 382.803 4.413 30 40 GIEB CCCCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OC 16741246 BETRPSLREOEBMM-UDWIEESQSA-N 382.412 4.277 30 40 GIEB biogenic,in-vitro CC(C)CN1C(=O)CS/C1=N\c1ccn(Cc2ccc(Cl)c(Cl)c2)n1 17081227 RUHSVGHGMHVSOF-JZJYNLBNSA-N 397.331 4.457 30 40 GIEB CN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1(C#N)CCC1 58416144 QXDNTHMEUNZUNC-UHFFFAOYSA-N 386.249 4.155 30 40 GIEB CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)c(C(=O)O)c1 100260980 HPKXWMNGSCGDBI-ROMCCWAQSA-N 378.862 4.334 30 40 GIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OC(C)C 408914051 XGPDMANNRZSIOB-UKWGHVSLSA-N 378.816 4.275 30 40 GIEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409013991 OJIJLGRBEIGPCV-FVQJWRHTSA-N 399.443 4.255 30 40 GIEB CCCCCCCCCC1=C(CSC[C@H](NC(C)=O)C(=O)O)C(=O)[C@@H](C)C1 1772591810 QHCLPKZUBORWGU-KXBFYZLASA-N 397.581 4.355 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(C(=O)C(C)(C)C)[C@H]1CCCCN21 3338811 GQPAZQIRBDLIEU-AUSIDOKSSA-N 376.504 4.221 30 40 GIEB CC(=O)/C(=C/Nc1cccc(OC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1 5480801 IDROVPGFSAOTHL-WJDWOHSUSA-N 396.340 4.447 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)no1 5800513 YFOIZDJRBJUDFX-SFHVURJKSA-N 394.814 4.419 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 6565677 SYXCRUWJCDGGCY-OAQYLSRUSA-N 399.402 4.198 30 40 GIEB CCOC(=O)COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OC 6954883 QTWIIGYROUBDOQ-FSJBWODESA-N 398.484 4.200 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 8336195 OQURQPHOLOWRFW-LPYMAVHISA-N 376.416 4.456 30 40 GIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 9316556 JBICXHVGLXVNNF-RBZFPXEDSA-N 392.846 4.053 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2nc(C(C)C)n[nH]2)n(C2CCCC2)c1C 11748141 PWWJLPPMDXAUBX-UHFFFAOYSA-N 386.525 4.064 30 40 GIEB C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2ccc(Cl)cc2c1=O 12918277 WBGACOMLEVEHEG-UHFFFAOYSA-N 390.896 4.209 30 40 GIEB CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 13118174 DQCNWUFSLNJXPQ-UHFFFAOYSA-N 377.579 4.106 30 40 GIEB Cc1nc(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)sc1C 13730071 SYBZXUUCCJTQKC-UHFFFAOYSA-N 377.469 4.269 30 40 GIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1c(Cl)cccc1Cl 13758887 DUFWOTPFUNNWLP-UHFFFAOYSA-O 387.290 4.334 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(F)cc1 20868157 OYSVSOXOTWECDL-OAQYLSRUSA-N 377.419 4.269 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)c(F)c1 23881141 LQDXVRNHRKSFSO-RMKNXTFCSA-N 392.430 4.115 30 40 GIEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 40139542 JMXHDZMKBVPKAL-XVNBXDOJSA-N 394.254 4.023 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218425013 HZJXTKDOBHYSHP-BHIFYINESA-N 383.513 4.044 30 40 GIEB C=CCOc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225021269 BDVDIFGDCLAHQO-UHFFFAOYSA-N 393.224 4.417 30 40 GIEB C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1C 408928715 DVMZNWRIUTYJGD-YSZNWWIGSA-N 377.809 4.040 30 40 GIEB CC(C)(C)OC(=O)N[C@H]1CCCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 696592059 BJGKKKJZEAHJFP-SFHVURJKSA-N 387.329 4.278 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O 2324352 SGZYMNZLXIYDLF-MQBMHJJESA-N 398.507 4.136 30 40 GIEB CCOc1cc(Br)cc(/C=N/c2ccc(NC(C)=O)cc2)c1O 3141925 XZQYPKXWHCFXKZ-VXLYETTFSA-N 377.238 4.262 30 40 GIEB C/C(=N\OC(=O)C(Cl)=C(Cl)Cl)c1cc2cc([N+](=O)[O-])ccc2o1 4276730 QEYORIHMFKBQAP-UBKPWBPPSA-N 377.567 4.494 30 40 GIEB Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccccc3C)o2)cc1 4538878 RYFJBADFCZXNQD-UHFFFAOYSA-N 378.453 4.306 30 40 GIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O 9048396 CFCKVBVBCOSUDO-FAPYRAKZSA-N 382.412 4.032 30 40 GIEB COc1ccc(CN/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1OC 20195998 LWTFLUZAXMRLFL-ZVHZXABRSA-N 386.492 4.402 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1 33776735 QDEINCFRUMQRIC-IFMALSPDSA-N 380.440 4.023 30 40 GIEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225065239 BZPXBSALSIIXKH-UHFFFAOYSA-N 381.453 4.008 30 40 GIEB Cc1cc(-c2ccccc2)nc(N/N=C/c2cc(Br)ccc2O)n1 4154775 JAQRNNBDJXBHIS-RGVLZGJSSA-N 383.249 4.366 30 40 GIEB C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 4631029 GWLWQRRMIMIZSS-RMZUICIMSA-N 380.488 4.134 30 40 GIEB Cc1cc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc2n1 6585112 VEHOSNABGPNEKN-UHFFFAOYSA-N 382.423 4.266 30 40 GIEB COc1cc(C#N)ccc1OCc1nnc(-c2c(-c3ccccc3)noc2C)o1 9155749 BTQQJJRCQDOQMG-UHFFFAOYSA-N 388.383 4.159 30 40 GIEB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 31350378 NLUGGDMYWGAERB-USGIVHHWSA-N 386.532 4.225 30 40 GIEB CCOc1ccc([C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 35190054 XEOYUMVCLDBUCV-XPWALMASSA-N 383.451 4.201 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 40110661 PSMQDHADIIWXCU-UHFFFAOYSA-N 398.422 4.368 30 40 GIEB N#Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 71328116 POWMSGICIGCLGV-UHFFFAOYSA-N 385.452 4.227 30 40 GIEB COc1cc(Br)cc(/C=N/c2ccc3nc(C)c(C)nc3c2)c1O 100318998 NATZKSGVHZWXHN-AWQFTUOYSA-N 386.249 4.474 30 40 GIEB Cc1nc2ccc(/N=C\c3c(C)c(C#N)c4nc5ccccc5n4c3O)cc2[nH]1 100931202 YBZCNDKEKDZAKG-MYKKPKGFSA-N 380.411 4.309 30 40 GIEB C=C(C)[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 102572677 MPHZLOIHMMVPQQ-OFNKIYASSA-N 386.455 4.011 30 40 GIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408883989 SKJZUSUKYIYTFM-ODLFYWEKSA-N 377.469 4.387 30 40 GIEB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1C 408909228 FTSWZTXQEGRLDM-UUYOSTAYSA-N 392.415 4.455 30 40 GIEB Cc1cccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c1C 409361151 QHAANVNVXIIFMZ-UHFFFAOYSA-N 386.455 4.009 30 40 GIEB CN(C)c1ccc(C(O)(Cc2cccc(C#N)c2)c2ccc(N(C)C)cc2)cc1 1562870 LGXJQCHAIPIHIN-UHFFFAOYSA-N 385.511 4.169 30 40 GIEB CN(C)c1ccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3211680 SSPKXVGHKIOSTI-ZVHZXABRSA-N 377.410 4.359 30 40 GIEB CCOc1ccc(-c2[nH]/c(=N/N=C/c3ccc(OC)c(OC)c3)sc2C)cc1 5475660 FJNFUSHGYVVVLZ-LPYMAVHISA-N 397.500 4.402 30 40 GIEB CNC(=S)N/N=C/c1ccc(OCCOc2cc(C)ccc2C(C)C)cc1 6189903 QISSDAGWMQCIBE-OEAKJJBVSA-N 385.533 4.004 30 40 GIEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 18125449 JKYPCCUTKXJTPG-QFIPXVFZSA-N 388.467 4.307 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)C1 19085117 WYSRZSSCEJENAA-HSZRJFAPSA-N 396.556 4.135 30 40 GIEB C=CCNC(=S)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1 33747924 PSRFZTLRCKMWFH-JJFYIABZSA-N 377.872 4.042 30 40 GIEB C=CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1 95459036 OFKYDEYLZIYRBQ-UHFFFAOYSA-N 376.250 4.412 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(OC)cc1 96936311 YCBGCDKDXFOLEI-VJGKAAADSA-N 396.468 4.106 30 40 GIEB C=CCc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1OC 218660118 OURPSRHJNUYPLD-UHFFFAOYSA-N 383.835 4.057 30 40 GIEB Clc1ccc(CSc2nncn2/N=C/c2ccc(Br)o2)cc1 1917941 ATXVBUVXZWDLRM-CNHKJKLMSA-N 397.685 4.462 30 40 GIEB CCC(=O)C1=C(c2ccc(C(C)C)cc2)N(C(=O)CC)n2c(C)nnc2S1 4518228 UQLONAOOXMWBOE-UHFFFAOYSA-N 384.505 4.038 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCCC3)s2)cc1 4835649 USQLVNZTTDPACW-UHFFFAOYSA-N 387.534 4.025 30 40 GIEB C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(CC)cc12 4895540 TWDUTUNLYRPKGV-UHFFFAOYSA-N 381.476 4.393 30 40 GIEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1 4944947 KMWZLODZJSGVSH-GOSISDBHSA-N 395.430 4.371 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@H]1c1ccccc1 5351703 BEQXREGMMATMGD-NRFANRHFSA-N 396.450 4.102 30 40 GIEB N#Cc1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc2c1CCC2 6790153 FMKWLENFRLIIMQ-UHFFFAOYSA-N 379.529 4.002 30 40 GIEB CSc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)nc12 7599581 COVXJQIMIQJXBJ-UHFFFAOYSA-N 396.541 4.098 30 40 GIEB C#CCOc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811300 JMXWSSGIBAVTPU-CIAFOILYSA-N 377.669 4.238 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 9531100 FYJIIGAAFJLOKT-JAIQZWGSSA-N 396.420 4.280 30 40 GIEB C[C@H](COc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100748242 ORBTUWWVTAVIEZ-MRVPVSSYSA-N 397.237 4.038 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 408912362 QMRXJNCQNNDVSI-XKZIYDEJSA-N 391.383 4.318 30 40 GIEB CC(=O)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409301693 DDAHNGLZLFQTPY-UHFFFAOYSA-N 389.455 4.252 30 40 GIEB N#Cc1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCCC2 800734 MHCCHQYTEYBTDC-UHFFFAOYSA-N 386.864 4.242 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 4459985 IUWCDJHSYKBNGI-JXAWBTAJSA-N 394.496 4.296 30 40 GIEB CCN(CC)S(=O)(=O)c1cc(C)ccc1/N=C/c1ccc2ncccc2c1 4868772 UOHFWUCYSHRTPU-HZHRSRAPSA-N 381.501 4.324 30 40 GIEB O=C1COc2ccc(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cc2N1 5109467 MYCIIZSJEOFCFU-XYOKQWHBSA-N 385.419 4.493 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)cc(C)c3C2=O)cc1OC 6624110 SMLLKJADRVKYME-GRSHGNNSSA-N 382.412 4.190 30 40 GIEB biogenic Cc1nn(C)c(C)c1/C=N/Nc1ncnc2cc(-c3ccc(F)cc3)sc12 7813887 AIIGCUBORRIDMJ-NUGSKGIGSA-N 380.452 4.294 30 40 GIEB N#CCCn1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc21 7902563 WVQSIIDKADDTMY-UHFFFAOYSA-N 391.500 4.334 30 40 GIEB C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC 8471123 RNCGJFIOYOTYRP-UHFFFAOYSA-N 391.855 4.023 30 40 GIEB Cc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 13125982 IMMAZFNKAKCEFY-UDWIEESQSA-N 375.266 4.050 30 40 GIEB C=CCN/C(S)=N/N=C/c1ccc(OCc2ccccc2F)c(OCC)c1 33606435 OJIXHHGUOYJLCB-YDZHTSKRSA-N 387.480 4.199 30 40 GIEB N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cn4cncn4)cc3)cc2)cc1 36644408 RMMBQHPHXDZNBY-UHFFFAOYSA-N 380.407 4.084 30 40 GIEB CCCCCCCCCCS(=O)(=O)N/N=C(C(\C)=N\O)/c1ccccc1 100934050 HVDSUIZXZQPGFG-PBTQVVNISA-N 381.542 4.301 30 40 GIEB CC(=O)Nc1ccc(/C=N/c2ccc(I)cc2C)cc1 101580674 UXTYUJUVMOHYKV-VCHYOVAHSA-N 378.213 4.309 30 40 GIEB CC(C)c1ccc(/C=N\NC(=N)C(=N)N/N=C\c2ccc(C(C)C)cc2)cc1 104368561 BEMNMYJPBGGSOF-WFBNZKAHSA-N 376.508 4.435 30 40 GIEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225774995 VTNXAAWPNVENQS-UHFFFAOYSA-N 382.435 4.171 30 40 GIEB Oc1nc2ccc(/N=C/c3ccc(/C=N/c4ccc5nc(O)[nH]c5c4)cc3)cc2[nH]1 1505840509 IFPFNAAWFSAVFK-ASIDMNOUSA-N 396.410 4.352 30 40 GIEB CCCCCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 2109386 RBBZSIFZZRPZPJ-NTZUZEMLSA-N 386.529 4.150 30 40 GIEB biogenic Cc1ccc(CN2CCN(N=Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 2705086 NKLSKSQTTKYZOK-UHFFFAOYSA-N 386.883 4.017 30 40 GIEB COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1OCc1ccccc1 2773743 ZEOZXBHGWIYHIE-MFKUBSTISA-N 399.450 4.175 30 40 GIEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cc(Br)ccc2O)S1 4470953 GKEHBKKJSTVNKA-OQLLNIDSSA-N 389.274 4.355 30 40 GIEB O=C(O)COc1ccc(Br)cc1/C=N\Nc1ccccc1Cl 4646902 YIDNWAANGSEWJM-LSCVHKIXSA-N 383.629 4.012 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 5363361 NLQCUERASLCPBC-CJLVFECKSA-N 379.485 4.075 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccco1 9763893 DYBLFRVNGCHVKU-KRWDZBQOSA-N 380.787 4.111 30 40 GIEB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2ccc(C#N)cc2)n1 11057669 WJISRUALMZFHHK-UHFFFAOYSA-N 380.404 4.032 30 40 GIEB COc1cc(OC)cc(C(=O)N2CCCS/C2=N\c2ccc(C(C)=O)cc2)c1 12550713 JUPPYBONKNWLRI-DQRAZIAOSA-N 398.484 4.173 30 40 GIEB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc2)cs1 12614071 XZKNSFHQHDXZNX-CQSZACIVSA-N 377.469 4.074 30 40 GIEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 16125464 PXAJNJUAUSATPJ-IAGOWNOFSA-N 388.307 4.366 30 40 GIEB C[C@@H](/N=C(/S)Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1 25329130 CLGNJYBKBDTBQV-BEFAXECRSA-N 389.952 4.500 30 40 GIEB N#C[C@@H](NCCc1ccccc1)c1ccc([C@H](C#N)NCCc2ccccc2)cc1 31870866 DNHPLIAHQDAIEX-WMPKNSHKSA-N 394.522 4.481 30 40 GIEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 40139594 PEZGGGQXXXLQQA-WUXMJOGZSA-N 381.472 4.014 30 40 GIEB COC(=O)c1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1C 59678215 VWXVETVMLDUPLR-RGVLZGJSSA-N 391.265 4.488 30 40 GIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011481 RMAXVMBVDJOMFJ-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB COc1cccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1OC 408753862 OIFXQNNVDTVCGG-QEEYODRMSA-N 377.400 4.310 30 40 GIEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4502297 NECXWHVXNKMAKE-ORAYPTAESA-N 380.835 4.249 30 40 GIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 5476014 LPABOWFUWHRYRT-UHFFFAOYSA-N 389.249 4.045 30 40 GIEB Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(C)cc1O 6023533 HAUBOUIIJBYFSU-UHFFFAOYSA-N 380.469 4.257 30 40 GIEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 6549623 CQMMICYIQRAGAA-AWEZNQCLSA-N 389.484 4.136 30 40 GIEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cc([N+](=O)[O-])ccc1O 6829887 OXUGXWWTPMVFGM-WOJGMQOQSA-N 391.408 4.345 30 40 GIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)s1 11915151 MDMURSRGAFIZDO-UHFFFAOYSA-N 388.474 4.122 30 40 GIEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3)N(C)C1=O)S2 13475590 YPWXOBCWRHXBDT-FRKBGCJLSA-N 383.498 4.299 30 40 GIEB COc1ccc(Br)cc1[C@@H]1C(C(C)=O)=C(C)NC2=C1C(=O)CCC2 16606673 ADFXRFMLKANSFG-GOSISDBHSA-N 390.277 4.015 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 18037058 RQVBEEIFXBDBDM-FQEVSTJZSA-N 389.407 4.067 30 40 GIEB COc1ccc2nc(N/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)sc2c1 67320705 MVKIACAYHIQJOG-REZTVBANSA-N 378.797 4.018 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1cccc(Cl)c1)C(C#N)C#N 95351613 DQYAHWDMAZWMIY-VQTJNVASSA-N 376.847 4.121 30 40 GIEB CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)O/C1=N\c1ccc(O)cc1 100509377 AUFBLFLHDISMBG-HHYPSQHASA-N 389.455 4.332 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 102776306 BZLOAKQOXAAWJG-ZAQQZEBGSA-N 398.890 4.133 30 40 GIEB CCOc1cc2c(cc1/C=N/c1cccc(I)c1)OCO2 409093986 CEUVEPOJBCGRRB-GIJQJNRQSA-N 395.196 4.169 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1 1354715 JSEXTTOLAYGDCW-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC 4626479 ZEVVRBSGIYFUAB-QRWLVFNGSA-N 389.492 4.205 30 40 GIEB COc1cc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc(OC)c1 4848882 VKDVSMLKIBFWRZ-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB CCCCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1 6138484 APXSMPRSYIPXLT-KMUCBOENSA-N 395.528 4.202 30 40 GIEB C=CCNC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 8990225 YXDIPEUPYBGIRO-UHFFFAOYSA-N 383.831 4.103 30 40 GIEB C[C@H]1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)c3ccccc32)C[C@H](C)O1 19830951 HQIRBLVXPSNJDK-DYDCSJBZSA-N 399.494 4.374 30 40 GIEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(C)cc2)c1=O 28537496 LDZOZWXVSLXOHB-UHFFFAOYSA-N 382.464 4.308 30 40 GIEB COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O 31902293 NOPSQMHJHUYRKN-NHDPSOOVSA-N 396.472 4.237 30 40 GIEB COc1cccc(N2OC(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1 58201536 QSPHXWUAAIJLIW-OAHLLOKOSA-N 381.215 4.073 30 40 GIEB C[C@H](C/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12)c1ccc(F)cc1 84636815 INWVMAQOLMDGTP-GFCCVEGCSA-N 390.411 4.352 30 40 GIEB CCN1C(=O)/C(=C\c2cc(Br)ccc2OCC#N)c2ccccc21 409117856 PAEJZYIDPZHDSC-VBKFSLOCSA-N 383.245 4.259 30 40 GIEB CC1(C(=O)Nc2ccc3nccn3c2)CCN(c2ccc(Cl)cc2C#N)CC1 587439261 RGFWLRPJLNBDRI-UHFFFAOYSA-N 393.878 4.105 30 40 GIEB O=[N+]([O-])c1ccccc1/C=C\C=N\n1c(S)nnc1-c1ccc(Cl)cc1 4680522 HMJRARSIBSVSPK-DBEKTMTRSA-N 385.836 4.343 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1Cl 5176116 DEUFYBPAZBAVDU-OAHLLOKOSA-N 391.855 4.035 30 40 GIEB C=CCNc1nnc(SCC(=O)Nc2ccccc2SC(F)F)s1 8994014 CDVPRRRPFJGXNM-UHFFFAOYSA-N 388.490 4.182 30 40 GIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c(OC)c1OC 13730285 AIBPUWWRNLHOSQ-KRWDZBQOSA-N 398.459 4.209 30 40 GIEB O=C(/C(=C(\S)NCc1ccco1)[n+]1ccccc1)c1ccc(Cl)s1 21763255 VQBVETYJTJCNNC-UHFFFAOYSA-O 377.898 4.011 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 33380247 ZSQAYGRPPVGMCI-JCAVJTNVSA-N 385.464 4.078 30 40 GIEB CC(C)c1ccc([C@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1 96345970 SLHONPPTTKSKJQ-FQEVSTJZSA-N 382.508 4.278 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)s2)cc1 103995993 WNHMQGPPHSQSIX-JYJNAYRXSA-N 384.530 4.467 30 40 GIEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2ccccc2c1 225060651 KQYXUCDJUJZPKY-UHFFFAOYSA-N 395.480 4.316 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901588 GQPUFYGVMGEYKI-QGOAFFKASA-N 381.478 4.113 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409103181 XHSZVLRYWMYESR-CPNJWEJPSA-N 381.501 4.382 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4502298 NECXWHVXNKMAKE-DJJJIMSYSA-N 380.835 4.249 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601948 SRVQHMUANUFAFX-UHFFFAOYSA-N 399.450 4.171 30 40 GIEB N#Cc1ccc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)cc1 5184503 XHLGTGMIQSGYNG-UHFFFAOYSA-N 388.496 4.354 30 40 GIEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)Oc1cccc(Cl)c1 6719442 NWVQMFFLYUIVIC-HNNXBMFYSA-N 397.862 4.372 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccco1 9763890 HSHITRVZFSOVCY-KRWDZBQOSA-N 380.787 4.111 30 40 GIEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 13722960 RXRUCKGLWPFCFW-GRSHGNNSSA-N 376.437 4.111 30 40 GIEB N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 84603612 YNUGCNBZJWTZOB-CYBMUJFWSA-N 380.448 4.162 30 40 GIEB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC=C1C(=O)CCCC1=O 100491760 WCOPMHWAHJPSOO-UHFFFAOYSA-N 399.468 4.218 30 40 GIEB C=CCOC(=O)C1=C(C)NC(=S)[C@](C#N)(CC=C)[C@H]1c1ccccc1Cl 100969386 SNVDSJZFACZEPJ-PXNSSMCTSA-N 386.904 4.443 30 40 GIEB CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731350 LXTARZMVBPEHEM-JOCHJYFZSA-N 394.471 4.223 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)o2)cc1Cl 409142880 DHEWVLHDHUJIQE-IKOQTPDUSA-N 394.858 4.440 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 933877 KRQDMMAKNKINAA-UHFFFAOYSA-N 376.485 4.212 30 40 GIEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 2379315 KWHZNOPFOIDNIN-SJORKVTESA-N 388.307 4.366 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 5079443 UFHSVXMPQLRCSW-SAAWKEMMSA-N 385.847 4.488 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C#N)cc3)s2)cc1 6256067 SZZBKHYJHZGIAX-UHFFFAOYSA-N 381.486 4.193 30 40 GIEB CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 6634628 YJLIHBPQHAVOGK-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NC[C@H]4CCCO4)o3)o2)c1 8844542 ZYAGDBDPNNTMEF-MRXNPFEDSA-N 379.416 4.285 30 40 GIEB C[C@@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)c(F)c1F 21191887 NQMZXCWNOLJTQJ-OXXSUFLWSA-N 388.292 4.083 30 40 GIEB C=CCc1ccccc1OCc1ccc(C(=O)NCCc2ccc(O)cc2)o1 27983910 POBBWQPFWRZNET-UHFFFAOYSA-N 377.440 4.265 30 40 GIEB COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(O)c(Cl)c3)n2)cc1 66543511 DVJKVNBWLQXIOL-CYBMUJFWSA-N 385.832 4.063 30 40 GIEB C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 95951182 DRMYDCQVJDGNOP-NSHDSACASA-N 386.333 4.118 30 40 GIEB C=CCCC(=O)Nc1nc2c(s1)C[C@H](N(CCC)C(=O)CCC=C)CC2 95983208 QOXXEWOYXQQINC-OAHLLOKOSA-N 375.538 4.110 30 40 GIEB O=C1C(Nc2ccccc2)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 100478429 HBKSVQFOBQYYEZ-XLNRJJMWSA-N 394.477 4.118 30 40 GIEB aggregator CCOc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 101932111 ALNXKXMCKSCYKZ-YYDJUVGSSA-N 384.439 4.304 30 40 GIEB COc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1c(C)cc(C)cc1C 408854987 LMPYWJBQCYMJCK-SSDVNMTOSA-N 396.516 4.270 30 40 GIEB COc1ccc2c(c1)Cc1sc(/N=C\c3cc(OC)c(OC)c(OC)c3)nc1-2 409048405 SUXPINOJXHEUFJ-JJFYIABZSA-N 396.468 4.499 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccccc2OC(=O)c2ccncc2)cc1OC 5485543 WLMKUEZNBSNPCN-VQHVLOKHSA-N 389.407 4.214 30 40 GIEB O=C1/C(=C\c2ccccc2O)S/C(=N\N=C\c2ccccc2)N1[C@@H]1C=CCC1 5899300 SZYYLSNPNDONDS-MZNLZQPQSA-N 389.480 4.417 30 40 GIEB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1sc2c(c1C#N)CCCCC2 7297324 SPFFAZGSLUNAOO-LBPRGKRZSA-N 397.529 4.051 30 40 GIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(Br)cc1 16994935 BHQMNILIJCDKQM-UHFFFAOYSA-N 382.281 4.034 30 40 GIEB Cc1cccc(N/C(S)=N/[C@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)c1C 22928314 YIIQGQGVJVFUGR-KNQAVFIVSA-N 396.604 4.378 30 40 GIEB N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3Cc3ccccc3)CC2)nc1 24014243 FZZMXGJSFZNKQC-UHFFFAOYSA-N 396.494 4.399 30 40 GIEB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)cc1 27789305 DENHVWOCDCUOGJ-UHFFFAOYSA-N 390.468 4.063 30 40 GIEB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(OCC#N)cc1 40130677 BCIMRZKOFNTWOR-UHFFFAOYSA-N 394.862 4.226 30 40 GIEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1C 408560768 OSSMPVZLVDQEAO-UHFFFAOYSA-N 390.553 4.458 30 40 GIEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409264477 LMXOXQIJRSSXNK-FBHDLOMBSA-N 376.840 4.181 30 40 GIEB C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 1288513 IJZBJUODIRHZFU-AWEZNQCLSA-N 376.547 4.410 30 40 GIEB C=C(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CC)cc2)c(O)c1 4773121 IONRIMUWPWESAX-AWEZNQCLSA-N 388.489 4.221 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4)nc13)O2 5349931 WZIMQTVFTLWXOY-IBGZPJMESA-N 394.434 4.323 30 40 GIEB C[C@@H]1CCN(C[C@@H]2C(=O)O[C@@H]3[C@@H]4[C@@H](CC[C@@]5(C)O[C@@H]45)[C@H](C)C[C@H]32)CC(C)(C)C1 5528088 CYCHSGXOIJOGQH-FQGPBLOISA-N 389.580 4.126 30 40 GIEB biogenic Cc1ccn2c(NC(=O)COc3ccc(C#N)cc3)c(-c3cccs3)nc2c1 6971170 ZPTNRNRNKFJFAS-UHFFFAOYSA-N 388.452 4.260 30 40 GIEB CC1(C)CC(=O)[C@H]2[C@H](C1)Nc1ccccc1N(C(=O)CS)[C@H]2c1ccco1 9936851 IQKJLPLQZHVKRW-KPOBHBOGSA-N 384.501 4.083 30 40 GIEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@H](C)c1ccc(F)cc1 12520523 YXZZKHVZTVGKDP-HUUCEWRRSA-N 396.491 4.447 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 15008733 JCJZTJSAGPGOJX-ZGXHQARYSA-N 388.380 4.135 30 40 GIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)ccc3C)N(C)C2=O)cc1 17206644 SCGJZXFYYVQYHS-QCLNCQLRSA-N 381.501 4.202 30 40 GIEB N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 23153766 XDJMWIKWLUAXIR-UHFFFAOYSA-N 387.508 4.359 30 40 GIEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H]1CCCC[C@@H]1C(F)(F)F 102832494 JSOZRCAMBDMBHB-YUMQZZPRSA-N 375.259 4.162 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)O 118918373 CJQNBXFUHQZFOE-XAFQUIJGSA-N 388.504 4.295 30 40 GIEB Cc1cccc(C(=O)Oc2ccccc2C=Nn2c(C)nc3ccccc3c2=O)c1 409137804 YBZXGRUUQDOVKY-UHFFFAOYSA-N 397.434 4.115 30 40 GIEB COc1ccc(Cn2cc(-c3cccc(C(F)(F)F)c3)cc(C#N)c2=O)cc1 3133656 KMFVJLQNIKYDBU-UHFFFAOYSA-N 384.357 4.463 30 40 GIEB N#Cc1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1 3309868 TXAXSMBXYMXXSY-UHFFFAOYSA-N 386.436 4.247 30 40 GIEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(C)c1 4814721 UDFHFXCRKCEVTQ-UHFFFAOYSA-N 399.545 4.244 30 40 GIEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccccn2)cc1OC 5694461 GTMGOATVZUJYOY-MFKUBSTISA-N 399.454 4.398 30 40 GIEB CCc1cc2c(=O)n(CCCOC)c(SCc3ccccc3C#N)nc2s1 7290332 BTMLWNSJHCBNHM-UHFFFAOYSA-N 399.541 4.221 30 40 GIEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1 13551637 ODFSGGSFXUFRKO-BAOKRACBSA-N 391.855 4.069 30 40 GIEB COc1cc(/C=C/C(=O)OCc2cn3ccccc3c2C#N)cc(Cl)c1OC 14851040 NVDCLPVBJJJLFC-VOTSOKGWSA-N 396.830 4.238 30 40 GIEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1Cl 408777005 UNICWPABYCMRJI-FSJBWODESA-N 395.846 4.247 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2c1 1223608 XLMNBSNNGCXLGB-UHFFFAOYSA-N 389.480 4.187 30 40 GIEB Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C#N 2081540 ZNCLOVWGTHGECG-RMKNXTFCSA-N 399.428 4.054 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 4028529 UNCXCKBXOLLLTG-WNIOPHHPSA-N 399.531 4.108 30 40 GIEB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C#N)C1 4280362 NZTJNCGUERPSHM-UHFFFAOYSA-N 395.893 4.102 30 40 GIEB CC1(C)CC(=O)[C@H]2[C@@H](C1)Nc1ccccc1N(C(=O)CS)[C@H]2c1ccco1 9936845 IQKJLPLQZHVKRW-XMCHAPAWSA-N 384.501 4.083 30 40 GIEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccc(Cl)cc1 16739658 OTXXXOCLUVZRFE-UTIZNNRUSA-N 397.887 4.200 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 18067828 MOLRVEOJKHSBCO-OAQYLSRUSA-N 384.435 4.481 30 40 GIEB C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 21273235 CWMVSKXICMXGSO-UHFFFAOYSA-N 398.509 4.046 30 40 GIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/N=c2/[nH]c3c(Cl)cccc3s2)c1O 41091629 JQXXGWOVPKAASV-UBKPWBPPSA-N 383.216 4.085 30 40 GIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44858838 UTZCXZCVTIKXFA-JOCHJYFZSA-N 398.466 4.466 30 40 GIEB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 58171227 QRRVMBVYTZTQTB-LBPRGKRZSA-N 396.541 4.350 30 40 GIEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(Cl)c1O 408872876 KNGGLIXGKGUAGK-ZSOIEALJSA-N 378.812 4.085 30 40 GIEB N#C[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 527827903 GSPXOEPOXJVDIU-KURKYZTESA-N 387.252 4.463 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 4918719 DKBGDSOWCINPGB-YWZLYKJASA-N 386.469 4.085 30 40 GIEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5376891 AEMSYYROBXRASL-NVNXTCNLSA-N 390.823 4.157 30 40 GIEB Cc1nc(SCC(=O)N2CC=C(c3ccccc3)CC2)c(C#N)c(C)c1C 7097342 AVRJLZXDAULXNO-UHFFFAOYSA-N 377.513 4.287 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cn1 17077055 BDYWLFLGYFNMAY-SSCJDWGCSA-N 376.504 4.457 30 40 GIEB COc1ccccc1[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]nc(O)c21 18196480 ZTVUDIZWPSLBOR-GTNSWQLSSA-N 393.468 4.144 30 40 GIEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1Cl 19928287 RQPNUUBXICBDFA-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB COc1ccc(CN2C(=O)/C(=C/c3ccc(C#N)cc3)c3ccccc3C2=O)cc1 33527812 GTQYKQQSHFREDQ-OEAKJJBVSA-N 394.430 4.290 30 40 GIEB CN(C)c1ccc(/C=N/N2CC(O)=C(c3nc4ccccc4s3)C2=N)s1 102718571 WYHVFBVWTYLAST-RICWVNQTSA-N 383.502 4.020 30 40 GIEB N#Cc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 207001607 KWPYJQIKEBJASS-SFHVURJKSA-N 392.933 4.081 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 408710153 QHAUCTWCALIFQZ-UHFFFAOYSA-N 390.568 4.391 30 40 GIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409161208 KYQMEVHDNADLKO-ABGKTIALSA-N 388.467 4.160 30 40 GIEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2c(F)cccc2Cl)c1 409343772 GJAZWPHDQDFFFH-ZBKNUEDVSA-N 394.880 4.252 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(F)(F)F)c1 3252571 UIXACHTWBRRYFJ-UHFFFAOYSA-N 375.375 4.032 30 40 GIEB O=C(/C=C/c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccccc1 5172515 GBXABAISMGABCD-MDWZMJQESA-N 398.374 4.292 30 40 GIEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCOCC2)cc1 5453522 QCXKQBZKEQGOTH-UHFFFAOYSA-N 396.494 4.403 30 40 GIEB O=C(NCc1ccccc1)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1 6061277 FUGCQEYAMYLPOW-MFKUBSTISA-N 398.418 4.179 30 40 GIEB Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6603068 FRVRRFDVZGFWGW-UHFFFAOYSA-N 387.395 4.459 30 40 GIEB C=CCn1c(C)cc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1C 8276833 QELUSWSDVVUXOI-UHFFFAOYSA-N 375.852 4.058 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 9015080 LIMBECAKVCJGCW-HXUWFJFHSA-N 395.455 4.088 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 17058130 HGCQFXZLGGYWHQ-OAQYLSRUSA-N 384.435 4.169 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 19798646 SVGAPJSSFZVHQU-VGOFRKELSA-N 391.442 4.360 30 40 GIEB CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 23330169 RMBSZPJOCFVBDQ-UHFFFAOYSA-N 398.351 4.294 30 40 GIEB CCOC(=O)CC/C(=N/Nc1ncnc2ccccc12)c1ccc(C)c(C)c1 24841863 NRPFXGWJKHEIKX-PLRJNAJWSA-N 376.460 4.406 30 40 GIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@@H](C)CNC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2 100845770 CROQMTIRWFBSQR-RRDWSDTKSA-N 398.591 4.372 30 40 GIEB N#Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 207001648 KWPYJQIKEBJASS-GOSISDBHSA-N 392.933 4.081 30 40 GIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011119 JNNFWWUPLAOWAD-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB CC[C@H](Sc1nc(C)cc(C)n1)C(=O)N[C]1SC2=C(CCCC2)[C@H]1C#N 409416303 ZVJVQKDDQPVSCM-CABCVRRESA-N 387.554 4.285 30 40 GIEB O=C(C1=C(N2CCOCC2)[C@@H](C(=O)c2ccccc2)CCC1)c1ccccc1 642888 AOTQEOBYXNPPHP-FQEVSTJZSA-N 375.468 4.139 30 40 GIEB COc1ccc(C)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2096537 HMDJFLFUVVYIDD-UHFFFAOYSA-N 383.210 4.410 30 40 GIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(Br)cc1 5573419 XOYHHBFIJJOQBB-PORMKJMCSA-N 390.233 4.190 30 40 GIEB C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1cccnc1 10196287 OZPYWKZLAAKYPD-UHFFFAOYSA-N 390.472 4.177 30 40 GIEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 13769948 QTULBTKZDILLGH-ODLFYWEKSA-N 391.335 4.332 30 40 GIEB C=CCN1C(=O)N[C@H](c2ccc(F)cc2F)C(C(=O)Nc2ccccc2)=C1C 14241584 KUODXSCPUKOLLQ-LJQANCHMSA-N 383.398 4.130 30 40 GIEB CCN1CCN(c2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)CC1 19820353 JMQKFGHXTUOQHV-UHFFFAOYSA-N 395.576 4.177 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 58216574 NQVKHPRPMIVHDS-OAQYLSRUSA-N 378.520 4.275 30 40 GIEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409075626 ZFEOJQWQYVQKSR-DJKKODMXSA-N 387.739 4.257 30 40 GIEB COc1ccc(C(=O)c2sc(Nc3ccccc3)c(C#N)c2N)cc1OC 1423556 AVZKZAPJUCREFF-UHFFFAOYSA-N 379.441 4.194 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ncnc4ccccc34)c2C#N)C1 3244905 QLHRPCKAJRRQFE-GFCCVEGCSA-N 394.525 4.419 30 40 GIEB C#C[C@]1(O)[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C 4217197 CHZJRGNDJLJLAW-RIQJQHKOSA-N 380.528 4.199 30 40 GIEB in-man COc1cc(OC)c(/C=N/Nc2nc3ccccc3o2)cc1Br 5660989 XFFQRJZDFYUQHV-GIJQJNRQSA-N 376.210 4.054 30 40 GIEB C=CCNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCC2 5744323 WJZCMQJQMZMZCJ-JLHYYAGUSA-N 396.512 4.203 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(C)cc1 6477840 RBJNDHHRNVXDMD-FUHWJXTLSA-N 384.549 4.227 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)cc1 13127069 UQYVXKHOXAEXQJ-AOMKIAJQSA-N 386.455 4.011 30 40 GIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(F)(F)F)C1 14924244 CFMKXUUFCOZBSA-CHWSQXEVSA-N 399.482 4.490 30 40 GIEB Oc1ccc(-c2cs/c(=N\CC(F)(F)F)n2N=C2CCCCC2)c(O)c1 102107012 PILZIRHECAMMEU-PGMHBOJBSA-N 385.411 4.259 30 40 GIEB CCOC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2C(=O)O)sc(C)c1C 1950694 DZIIAMJXLSTCIL-AWQFTUOYSA-N 391.445 4.008 30 40 GIEB COc1c(F)c(F)c(C(=O)c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F 3175874 NHOLKWRBWPTPNI-UHFFFAOYSA-N 386.194 4.048 30 40 GIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 4737498 MCBUBCMSUXMAMF-PXLXIMEGSA-N 377.400 4.442 30 40 GIEB N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc(Br)cc1 4860221 IFSPLFXNRXPYGN-UHFFFAOYSA-N 383.245 4.274 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OCC 4918345 BTCABBSOCQRFLF-NFBKMPQASA-N 394.467 4.413 30 40 GIEB C=CCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 5500230 GYJQRGBWOXNICC-OAHLLOKOSA-N 379.508 4.297 30 40 GIEB N#Cc1ccc(Oc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1C#N 6526517 FYRZMGKPAQAWMH-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccn1C 9609973 QAZWGEOVYIBBCB-HNAYVOBHSA-N 396.560 4.391 30 40 GIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 13690432 WLHKTMRXFKIHMW-UHFFFAOYSA-N 398.484 4.277 30 40 GIEB C=CCc1ccccc1OC[C@H](O)Cn1c(-c2cscn2)nc2ccccc21 24927775 MMLHTKVGPNUTDT-QGZVFWFLSA-N 391.496 4.328 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N\c1nccs1 54361109 KIDCLDGHKYAXPI-AAMDCLCLSA-N 378.482 4.481 30 40 GIEB C=CCO[C@H](C)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 60350624 RRVYQOYGQUGLHX-LLVKDONJSA-N 387.789 4.383 30 40 GIEB CCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(C)=O 68454603 JEXLNBIEEULRGN-HNNXBMFYSA-N 378.259 4.390 30 40 GIEB Cc1ccc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1C 77191683 COPNKDSUZVFTRY-UHFFFAOYSA-N 391.515 4.042 30 40 GIEB C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 95951183 DRMYDCQVJDGNOP-LLVKDONJSA-N 386.333 4.118 30 40 GIEB CCCCCCCNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 98045193 DLWIOMIQEUFBTJ-UHFFFAOYSA-N 375.296 4.035 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1O 408599517 IKIVOHVUPNZEED-UHFFFAOYSA-N 398.463 4.015 30 40 GIEB NC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408889434 GXVNJPVXSNVYRA-IFRROFPPSA-N 388.707 4.393 30 40 GIEB COc1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl 408962328 HKTDJYVXWPJRBP-CAOOACKPSA-N 387.604 4.409 30 40 GIEB C#CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl 409077346 FBTGYXDZCRMRDY-LGMDPLHJSA-N 388.920 4.085 30 40 GIEB CCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 4499450 NIGFUQAWVNTRNG-GIJQJNRQSA-N 379.210 4.472 30 40 GIEB CN1/C(=C\C(=O)CSc2nncn2-c2ccccc2)C(C)(C)c2ccccc21 4835159 VNUILYDOIIWDCN-MOSHPQCFSA-N 390.512 4.240 30 40 GIEB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(N2CCOCC2)cc1 58133212 XHJMRYTWYKFWLJ-LREOWRDNSA-N 381.859 4.392 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(F)c1 103002787 OWSSRTRWFKPOJJ-OACQNMCBSA-N 380.419 4.057 30 40 GIEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COC1=C[C@H]2OC(=O)CC=C2C=C1 253477369 FKBRWBRHJLISDV-XFJGJFDASA-N 384.516 4.468 30 40 GIEB O=C1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC/C1=C/c1ccc([N+](=O)[O-])cc1 1662224 OMQUVUPABDCOHI-RFTYBOQRSA-N 392.367 4.292 30 40 GIEB Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 2213687 LYQCYHWWVHIHES-UHFFFAOYSA-N 377.407 4.468 30 40 GIEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 4084453 YAQZADIVHNJNMJ-GHOUAXAESA-N 377.396 4.071 30 40 GIEB biogenic CCc1cc(C)cc(OCCn2cc(/C=N/NC(=S)NC)c3ccccc32)c1 4599995 QWZBSLPDEBLUGW-ZVHZXABRSA-N 394.544 4.019 30 40 GIEB CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 4650270 DNMIVGPRKRLQLY-KRWDZBQOSA-N 386.245 4.247 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C(\C=C\c2ccccc2)c2ccccc2)cc1 6021181 HXNGKNHTSAKUIB-NWRCAWGMSA-N 376.481 4.391 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 6694246 UDEWGCUIHFVJKQ-FOKLQQMPSA-N 385.383 4.340 30 40 GIEB COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2F)cc1 7734657 HLZHRZRWOYOKIB-UHFFFAOYSA-N 396.443 4.101 30 40 GIEB O=C(Oc1ccccc1)c1ccc(CO/N=C/c2cccc([N+](=O)[O-])c2)cc1 8040460 NQWIJZZMNFFPMS-HYARGMPZSA-N 376.368 4.365 30 40 GIEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cnn(-c2ccccc2)c1 8343243 CXKSUZORENVOFC-OUKQBFOZSA-N 381.439 4.216 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(c3cccnc3)CO4)C2=O)cc1 9341662 INQOKTZDXJNYCT-NHDPSOOVSA-N 386.407 4.063 30 40 GIEB CCOC(=O)CC1=NN(Cc2ccccc2)/C(=N\c2ccccc2OC)SC1 12504645 XVGAFSFCYPYVMA-QURGRASLSA-N 397.500 4.241 30 40 GIEB C[C@H](/N=C(\S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCOCC1 13878805 BVBLEVQRZNEENQ-GUYCJALGSA-N 379.526 4.047 30 40 GIEB C=C(Br)CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 58391596 GRLOWMVCUCYFRU-UHFFFAOYSA-N 398.260 4.350 30 40 GIEB COc1ccc(/C=N/N2C(=O)CS/C2=N\c2ccc(C(C)C)cc2)cc1O 101646790 JWJVRHJDKQMFLP-GRWXYWTESA-N 383.473 4.121 30 40 GIEB CC(/C=C(/O)c1ccccc1)=N\CC(O)C/N=C(C)/C=C(/O)c1ccccc1 102915169 SSSSENRVXZEGRZ-SFMPPAGDSA-N 378.472 4.467 30 40 GIEB COCCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N\c1ccccc1 408939654 TVRPEKTYUZQZRU-IECUCWQJSA-N 383.517 4.282 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409081391 PVIHMDXZQHSRRH-WJDWOHSUSA-N 393.270 4.231 30 40 GIEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)o1 4150296 KNGDQRUTUHXWTQ-INIZCTEOSA-N 399.516 4.372 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 4889089 BLRRPGWQQPUFRP-ZNVYLOEZSA-N 394.544 4.305 30 40 GIEB N#Cc1ccsc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 6229523 INGFVJXDUDNYNN-UHFFFAOYSA-N 390.420 4.039 30 40 GIEB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 12735732 YZNMEXHYCKLAGN-UHFFFAOYSA-N 384.867 4.247 30 40 GIEB CC(C)Oc1ccc(Cn2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 13623663 OZXSEKNCUSDMNW-UHFFFAOYSA-N 383.517 4.358 30 40 GIEB CC(C)(C)OC(=O)N1CCCN(c2nc(-c3ccccc3)ccc2C#N)CC1 22115444 YLOLAPSHEQUZLB-UHFFFAOYSA-N 378.476 4.067 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(OC)cc1 97104934 HCFQXICDECPPPX-JTHBVZDNSA-N 393.483 4.081 30 40 GIEB N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CC[C@H](c2ccccc2)C1 256046489 GDIDPBWWIRJMQF-HNNXBMFYSA-N 383.377 4.152 30 40 GIEB CCOC(=O)c1ccc(/N=C/c2ccccc2I)cc1 408550015 CNJXYZLODHKKDC-WOJGMQOQSA-N 379.197 4.219 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 409036490 RNLJKOUTGXKMCX-HKWRFOASSA-N 393.464 4.122 30 40 GIEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(Cl)cc2Cl)c1 1084550 LBEOMRMZOHGPGO-DJKKODMXSA-N 382.272 4.101 30 40 GIEB N#Cc1ccc(OCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 2631716 ZHSZMNPWEWYPBE-UHFFFAOYSA-N 375.409 4.445 30 40 GIEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 5382957 ZYRMOFXCMDKUQQ-ZSOIEALJSA-N 380.347 4.072 30 40 GIEB C=CCNC(=O)C[C@@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1CC 5414840 DKCNIKPJHMNEIF-GJZGRUSLSA-N 397.441 4.278 30 40 GIEB biogenic,in-vitro C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Cl)cc3)c2C#N)C1 5782832 MMBFOJRWINBMRK-NSHDSACASA-N 388.876 4.193 30 40 GIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 12323434 QJBGDNJKUXOVFT-KZULUSFZSA-N 394.456 4.119 30 40 GIEB CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 12374196 BKGQJRABJIEJPU-NHDPSOOVSA-N 377.897 4.157 30 40 GIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1cccs1)C2 12391565 MSIMCMOGZNEWQP-ADLMAVQZSA-N 394.456 4.119 30 40 GIEB N#Cc1c(N)sc2c1CCN(c1nc(-c3ccccc3)c3ccccc3n1)C2 12983663 HWGDUEQQHDAONJ-UHFFFAOYSA-N 383.480 4.375 30 40 GIEB O=C(/C(=C/c1ccccc1)CN1CCOCC1)c1ccc(Br)cc1 16973486 SQKNDINHFPAQQM-NBVRZTHBSA-N 386.289 4.048 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)n(C2CCCC2)c1C 57380587 YHOHIAYMVXVVOZ-HNNXBMFYSA-N 396.457 4.305 30 40 GIEB C[C@@H]1CCN(C[C@H]2C(=O)O[C@H]3[C@H]2C[C@@H](C)[C@@H]2CC[C@@]4(C)O[C@H]4[C@@H]32)CC(C)(C)C1 72324078 CYCHSGXOIJOGQH-FQIJVTTASA-N 389.580 4.126 30 40 GIEB biogenic COc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 100290936 GMAWWAUUHPVOJW-DEDYPNTBSA-N 375.266 4.045 30 40 GIEB COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S 409348093 PAXHVIBRXNNJLP-ATVHPVEESA-N 382.466 4.003 30 40 GIEB CCN(CC)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 2274784 DVJPLNBIBGQAAK-UHFFFAOYSA-N 378.520 4.225 30 40 GIEB O=C(Oc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 3089215 HVZCYECZKBSPNR-FYJGNVAPSA-N 391.339 4.473 30 40 GIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)n1 5813261 UGXOZDUQRMSDPV-SFHVURJKSA-N 376.437 4.234 30 40 GIEB CCOc1ccc(C(=O)/C=C/c2cc(O)c(OC)cc2Br)cc1 8321628 JLKWYGLBEZTCNX-RMKNXTFCSA-N 377.234 4.458 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Br)ccc1O 32101851 NIKAOXZMTRSVLN-RIYZIHGNSA-N 393.237 4.185 30 40 GIEB C/C(=N\CCc1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370376 FRIKOHAUJKEPJA-KOEQRZSOSA-N 383.451 4.143 30 40 GIEB CCOC(=O)c1c(C)oc2c1/C(=C/NCc1cccnc1)C(=O)c1ccccc1-2 100752555 NEYULDNUTNPWIQ-AQTBWJFISA-N 388.423 4.154 30 40 GIEB CCOc1ccc(NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2)cc1 102967871 YKGZRCRHSFALLF-UHFFFAOYSA-N 396.468 4.001 30 40 GIEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224969804 BAJBECQFZQXYAC-UHFFFAOYSA-N 393.892 4.295 30 40 GIEB COc1c(/C=N/c2sc3c(c2C#N)CCCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408720583 VWMQRPOKSJMMHA-DJKKODMXSA-N 386.389 4.074 30 40 GIEB CC/N=C1/S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C(=O)N1CC 408929549 KURGRGOBPWTSCF-AXMBFVIUSA-N 382.913 4.450 30 40 GIEB Cc1nnc(C)n1/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 2660598 XPEZHRKAEYFLMG-UFFVCSGVSA-N 388.258 4.336 30 40 GIEB C=CCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 4551500 ZTXOOYLFUIXAFD-ATVHPVEESA-N 384.229 4.358 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 4688339 CKCJSROXLQMDKH-VBKFSLOCSA-N 396.424 4.138 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 6909868 SNVCCFWDTHJBMO-WDEREUQCSA-N 399.347 4.437 30 40 GIEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 7058503 FDWJKUUZNDAKRY-UHFFFAOYSA-N 394.452 4.430 30 40 GIEB Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348688 NZIRFFWKZRMZRI-QGZVFWFLSA-N 377.469 4.100 30 40 GIEB COc1cccc(/C=C/C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c1 30782061 XNXIXNDKHMJGRL-SOFGYWHQSA-N 387.361 4.499 30 40 GIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(F)(F)F)C1 84001865 CFMKXUUFCOZBSA-STQMWFEESA-N 399.482 4.490 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 97105060 GJKCJWOZQABLBW-OFNKIYASSA-N 394.467 4.332 30 40 GIEB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(C)C1=O 100261260 DOQOWLRBMSJMPF-XOMICKMZSA-N 387.892 4.239 30 40 GIEB CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(C)cc2C)Sc2ccccc2N1 104274697 YEJTXFWLFIVMAM-UHFFFAOYSA-N 380.469 4.220 30 40 GIEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967112 PVHPTNFBEXJMCZ-UUYOSTAYSA-N 387.892 4.146 30 40 GIEB CC(C)Oc1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1OC(C)C 3446227 FIQPZVHVADHEFG-MSKUYSOUSA-N 398.532 4.093 30 40 GIEB Cc1cc(SCC(=O)N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N 4270127 UOXZJIFSFYJALZ-UHFFFAOYSA-N 378.501 4.018 30 40 GIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 6003489 JIKMAMDNEXYUNM-WBMJQRKESA-N 381.501 4.225 30 40 GIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(O)c3)c12 9672476 UAQIEWDLHCZLFW-PKNBQFBNSA-N 387.439 4.394 30 40 GIEB C#CCOc1ccccc1CN(Cc1ccncc1)C1CC(C)(C)NC(C)(C)C1 13992738 OLWRMSMISLGWHA-UHFFFAOYSA-N 391.559 4.405 30 40 GIEB O=C1CCCC2=C1C(c1cc(Cl)c(O)c(Cl)c1)C1=C(CCCC1=O)N2 19809817 USBPCTTWAKZVDM-UHFFFAOYSA-N 378.255 4.400 30 40 GIEB CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 20955987 JFHFQNMLEKGTMY-OAQYLSRUSA-N 395.478 4.308 30 40 GIEB CCCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828702 UVOAEKQOYPVFRK-SFHVURJKSA-N 398.463 4.019 30 40 GIEB Cc1cc(C(=O)Nc2ccccc2C#N)c2c(C)nn(Cc3ccccc3)c2n1 36616258 LVXNOJFZXGHJPA-UHFFFAOYSA-N 381.439 4.220 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 101438256 NMALSCWAVRRZRQ-XMHGGMMESA-N 392.202 4.092 30 40 GIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)c1 102802282 FJAFAAFSKGJMEX-JBCNATCCSA-N 385.419 4.322 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)nc1 408750393 MHCKCOWVEGTBEQ-VXLYETTFSA-N 387.193 4.458 30 40 GIEB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/S/C(=N/C)N(C)C3=O)c2C)cc1 408930401 WOBJSFPVUCUZNJ-XATRHVNRSA-N 396.560 4.472 30 40 GIEB Cc1sc2nc(C)n(/N=C/c3ccc(Br)cc3)c(=O)c2c1C 799890 FCISDLRTLSXQDU-QGMBQPNBSA-N 376.279 4.028 30 40 GIEB N#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccccc1F 3323760 JKHOESBIJYUUFU-UHFFFAOYSA-N 395.203 4.053 30 40 GIEB COc1cccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1OC 4479368 UVMTYQIXHAHXKJ-UHFFFAOYSA-N 399.516 4.049 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1 9329959 QLPLQVODHUDVEW-AOMKIAJQSA-N 386.455 4.011 30 40 GIEB CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 19972690 YHDPMGNJWAUPEF-UHFFFAOYSA-N 381.472 4.185 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 55728607 QDRURQWBJHICIA-KRWDZBQOSA-N 399.450 4.241 30 40 GIEB N#CCCN(Cc1ncc(-c2ccc(Br)cc2)o1)CC(F)(F)F 84419630 HOASPMOJLHVYTO-UHFFFAOYSA-N 388.187 4.382 30 40 GIEB CSc1nc(Oc2cc(C)cc(C(C)C)c2)cc(-n2nc(C)c(C#N)c2N)n1 632488 SHUFCRHLMCZSNL-UHFFFAOYSA-N 394.504 4.371 30 40 GIEB C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 2321306 XXUNRUDGXWNTFM-VEUNDLRXSA-N 375.856 4.333 30 40 GIEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCOCC1 2418632 ACLJMBVYCCDWSD-UHFFFAOYSA-N 395.846 4.282 30 40 GIEB aggregator C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C)cc1 2442451 HQYKRDNBCMBDFX-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB Cc1c(C(=O)OCC(=O)NC2(C#N)CCCC2)oc2c1ccc1ccccc12 4989178 XARDQNOAHPSXOE-UHFFFAOYSA-N 376.412 4.004 30 40 GIEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O 6583318 OSRSPANRDSOHRT-DEOSSOPVSA-N 397.434 4.318 30 40 GIEB CC1(c2ccccc2)COC(C(C)(C)C2=CC(=O)c3ccccc3C2=O)OC1 6668576 QHUKZKWVEJOWLE-UHFFFAOYSA-N 376.452 4.349 30 40 GIEB COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(Cl)c1OC 11334751 MLXIRHNSJQCFQE-VOTSOKGWSA-N 387.863 4.090 30 40 GIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1C 14081925 OJBDKQQXBFLHOR-QGZVFWFLSA-N 392.528 4.409 30 40 GIEB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccc(C#N)cc3)cc2)cc1 36773241 ITSQWEPBEPODLU-UHFFFAOYSA-N 392.480 4.271 30 40 GIEB C=CCOc1ccccc1CN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084704 UJBQYGOVFLDUIA-PGMHBOJBSA-N 377.227 4.283 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 96591912 CFHBPNALYXAKKP-UBIDFSEFSA-N 396.468 4.106 30 40 GIEB CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@@H](c2ccccc2)CC1=O 100168938 CJDGLWPNEMSQJC-QGZVFWFLSA-N 387.483 4.075 30 40 GIEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 4993395 JKYPCCUTKXJTPG-JOCHJYFZSA-N 388.467 4.307 30 40 GIEB NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 6276586 TVJSYCZCNKRXNZ-CNHKJKLMSA-N 384.686 4.214 30 40 GIEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c(Cl)cccc1Cl 7108764 GBLWSSHRLGBMDW-UHFFFAOYSA-N 399.255 4.042 30 40 GIEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12795746 FPBSPVYRLTUAHD-CYBMUJFWSA-N 395.484 4.175 30 40 GIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccccc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 13142146 DIJKNMOLRVCFHV-SGNDLWITSA-N 393.483 4.094 30 40 GIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182415 IVXWWGFXGUVLBF-FBHDLOMBSA-N 391.423 4.125 30 40 GIEB Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C\c1ccncc1)O2 37857520 DYWVGPQRVOCJAT-FYJGNVAPSA-N 386.451 4.344 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)n(C2CCCC2)c1C 57380588 YHOHIAYMVXVVOZ-OAHLLOKOSA-N 396.457 4.305 30 40 GIEB COc1cccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59302646 YDTGUYQSEUCMDJ-FSJBWODESA-N 392.411 4.250 30 40 GIEB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2o1 59773834 HYOLUSLGMRLSEO-UHFFFAOYSA-N 389.864 4.451 30 40 GIEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 96346548 PVZKFLZDANJKRA-ZWKOTPCHSA-N 388.446 4.283 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677397 OVIQCRAZSYRUQN-UHFFFAOYSA-N 379.416 4.316 30 40 GIEB Ic1ccc(/C=N\Nc2nc3ccccc3s2)cc1 408731168 YDRIDRUGOZSUJI-SXGWCWSVSA-N 379.226 4.347 30 40 GIEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5163650 XTRKIBRFEDNBJB-SOFYXZRVSA-N 379.195 4.161 30 40 GIEB Cc1c(-c2ccccc2)ccnc1/C=N/NC(=S)Nc1ccc(N(C)C)cc1 5552190 PGUNOWAWNRLZFD-BUVRLJJBSA-N 389.528 4.444 30 40 GIEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 6549715 UCKBTBZWAVINCB-AWEZNQCLSA-N 389.484 4.136 30 40 GIEB COc1ccc(CN(C)C(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1F 7779409 WBGRSWCXCRXZKM-PKNBQFBNSA-N 391.446 4.374 30 40 GIEB COC(=O)c1ccccc1C(=O)[C@@H](C(c1ccccc1)c1ccccc1)[N+](=O)[O-] 8205790 LYAMKHPZLQUGHE-OAQYLSRUSA-N 389.407 4.133 30 40 GIEB C=C(C)CN(Cc1ccccc1)C(=O)C1(c2ccc(OC)cc2)CCOCC1 8992687 UXBMCMPHDMKCTA-UHFFFAOYSA-N 379.500 4.348 30 40 GIEB N#Cc1c(/N=C2/C(=O)Nc3ccccc32)sc2c1CCN(Cc1ccccc1)C2 16479902 DAMDRHZRQNSXBF-UHFFFAOYSA-N 398.491 4.251 30 40 GIEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 18222367 GKRSXUWRKQNIDF-AVRDEDQJSA-N 385.471 4.212 30 40 GIEB CCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SCC)nn32)cc1 22608491 IGQBDBMCSQHFRU-KZULUSFZSA-N 384.505 4.057 30 40 GIEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc2c(c1)OCO2 65098345 KOYQMHIOFQTMSD-UHFFFAOYSA-N 389.436 4.080 30 40 GIEB CCOC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218407021 XYYYKHYBICHIBT-AABGKKOBSA-N 389.904 4.135 30 40 GIEB N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CC[C@@H](c2ccccc2)C1 256048116 QUWAUBSMRKJTRI-OAHLLOKOSA-N 383.377 4.152 30 40 GIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C(=O)N1C 408907543 BGRDYBNMJOQQNK-KDWIEBRMSA-N 397.456 4.400 30 40 GIEB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\Nc3ccccc3)cc2)cc1 409200995 LBLGALACQKHOMH-IWIPYMOSSA-N 387.439 4.237 30 40 GIEB CCc1cccc2c(/C=N\n3cnc4sc5c(c4c3=O)CCCC5)c[nH]c12 980689 RRUOWTQQMHHNCT-MYKKPKGFSA-N 376.485 4.263 30 40 GIEB O=C1/C(=C\c2ccc3c(c2)OCCO3)CCC/C1=C/c1ccc2c(c1)OCCO2 1624834 ULFBIHLWIVBRDI-BKHHGCLFSA-N 390.435 4.449 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 2066364 DIMKSBCGMKZJPN-HXUWFJFHSA-N 383.488 4.340 30 40 GIEB O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5546007 VEJXVHSJBIGQBK-UGVMZYNRSA-N 391.468 4.166 30 40 GIEB CC(=O)Nc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 6424703 DBAJRQCBRWSYIV-UHFFFAOYSA-N 385.423 4.201 30 40 GIEB COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 6671704 AVRXLIUBJYNWQA-JAIQZWGSSA-N 387.391 4.234 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 12970056 RQVBEEIFXBDBDM-HXUWFJFHSA-N 389.407 4.067 30 40 GIEB COc1ccc(Br)cc1[C@H]1C(C(C)=O)=C(C)NC2=C1C(=O)CCC2 16606676 ADFXRFMLKANSFG-SFHVURJKSA-N 390.277 4.015 30 40 GIEB C=CCSc1nc(O)c2c(n1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1 17243113 VQTUIHAFJXFTBJ-MRXNPFEDSA-N 397.500 4.243 30 40 GIEB CCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 17465824 MJJFHXRBLZMOIC-UHFFFAOYSA-N 385.545 4.299 30 40 GIEB FC(F)(F)c1ccc(N/N=C\c2ccccc2I)nc1 33586381 XDRRWIRAVZTNLB-GXHLCREISA-N 391.134 4.151 30 40 GIEB CN1/C(=C\C(=O)CSc2nccc(C(F)(F)F)n2)C(C)(C)c2ccccc21 36664616 JGKCYFUYUYSXET-YBEGLDIGSA-N 393.434 4.468 30 40 GIEB N#Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 57690674 VHWLALRSGZAENY-UHFFFAOYSA-N 375.862 4.136 30 40 GIEB Cc1ccc(SCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C 58967309 QYUSIQKTKIKFQE-UHFFFAOYSA-N 395.572 4.248 30 40 GIEB N#Cc1cnn2c(O)cc(CSc3ccc(Cl)c(C(F)(F)F)c3)nc12 84350999 IIRJEBGDDOLURO-UHFFFAOYSA-N 384.770 4.271 30 40 GIEB Cc1c(/N=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 955417 ZGWUJBDMNZKSDX-BXKXQWCYSA-N 396.834 4.375 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2ccc(F)cc2)cc1 6244982 KEXXRZOMLPMOEA-FQEVSTJZSA-N 388.398 4.312 30 40 GIEB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1/N=C1\SCC(=O)N1C1CC1 17080306 FROVEACZYHPYCZ-UZYVYHOESA-N 392.887 4.066 30 40 GIEB C=CCN(C(=O)COc1cc(C)on1)c1nc(-c2ccc(Cl)cc2)cs1 23299231 WLWWFUPJYKVUFJ-UHFFFAOYSA-N 389.864 4.358 30 40 GIEB O=C(/C(=C\c1ccccc1)CN1CCOCC1)c1ccc(Br)cc1 31947478 SQKNDINHFPAQQM-JXAWBTAJSA-N 386.289 4.048 30 40 GIEB C#CCOc1c(Br)cc(C(=S)N2CCCCC2)cc1OCC 33642163 MMSLGNTWLRBNRB-UHFFFAOYSA-N 382.323 4.021 30 40 GIEB CCCCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 53307383 NSUWZZIRNNABPA-HNNXBMFYSA-N 394.585 4.455 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1Cl 101021104 SAQHNUNQEJAHMU-OAGSPSADSA-N 380.831 4.049 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 102861719 ZMUQQFATPSDFGY-NHFXJNLRSA-N 391.398 4.349 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1OC 2446948 DXOJVKCQOLLRGK-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C=CCN(C(=O)CSc1nc2ccccc2o1)c1nc2c(s1)CCCC2 3355705 OCRNZAHCLRDBJM-UHFFFAOYSA-N 385.514 4.474 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 3535948 TXKKOJBJZMTFGE-ZDUSSCGKSA-N 399.903 4.355 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@@]21C(=O)Nc2ccccc21 4575759 WWAMESOYMADZGB-XMMPIXPASA-N 391.467 4.193 30 40 GIEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@](C)(C#N)C3CC3)c2n1 4840767 ZIEDPUWYPXZCNS-SFHVURJKSA-N 378.259 4.037 30 40 GIEB CCCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CCC)n2c(CC)nnc2S1 5223747 MSCPYKWITNHKGM-UHFFFAOYSA-N 398.532 4.257 30 40 GIEB C=CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 6677861 PLYKOWUTZUKOBK-QGZVFWFLSA-N 384.480 4.353 30 40 GIEB CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)/C=C/c2ccc(N(C)C)cc2)=C1C 12324384 HGCDLTATGGQTAK-HRNYAPDYSA-N 389.499 4.395 30 40 GIEB CCOc1ccc(/C=C/C(=O)C2=CN(C)C(=O)N[C@H]2c2ccc(C)cc2)cc1 12390970 OQSLCVUILMAUEW-UNJYKCMZSA-N 376.456 4.256 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(OC)cc3)nc2c1 35291646 DIBNQFYDGPEYJJ-UHFFFAOYSA-N 378.453 4.489 30 40 GIEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1COc1ccc(F)cc1 223689363 DRXSAWFBZYSVIR-UHFFFAOYSA-N 384.411 4.080 30 40 GIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)c1C 409105757 KIEKFQDRWHRYEQ-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB COc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(OC)c1 872636 JFSWWNDBSDNOJC-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)N1CCOCC1 2437902 HUXSHJDYUBEMLO-NRFANRHFSA-N 384.476 4.250 30 40 GIEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc([N+](=O)[O-])cc2)c1=O 3128328 WLNOWKQKUOZHDU-UHFFFAOYSA-N 399.328 4.362 30 40 GIEB CCCCc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1 3286285 IVCWAZNKRKHBFL-UHFFFAOYSA-N 386.451 4.297 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(OC)cc1 5853840 ZPJXXCJRKJGESZ-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccccc3C#N)cc2C1=O 6234588 AAGJIYDWUCJXOB-UHFFFAOYSA-N 396.402 4.024 30 40 GIEB CCOc1cc(/C=N/c2ccccc2)cc(I)c1OC 6959214 MNIGRFPFOPLJTJ-WOJGMQOQSA-N 381.213 4.449 30 40 GIEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)c(F)c1 7586438 OECMDWHXVBPCTI-SOFGYWHQSA-N 377.362 4.160 30 40 GIEB CC(C)NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 18114763 PMUGLEFKUOLXNN-JAIQZWGSSA-N 375.266 4.103 30 40 GIEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20737104 CJICBYGGLMTGMP-HSZRJFAPSA-N 389.499 4.154 30 40 GIEB COc1ccc(/C=C2/CCC[C@H]([C@H](NO)c3ccc(OC)cc3)/C2=N\O)cc1 104283720 LSPQAPMSPVMUIX-OVHXMILISA-N 382.460 4.438 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 253388357 OLDFOHABNQZMKB-QXICZLCVSA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro O=C(OCc1ccccc1)N1CCCC[C@H](/N=C(/O)OCc2ccccc2)C1 328578211 DGVWYTPNLOPEKA-FQEVSTJZSA-N 382.460 4.309 30 40 GIEB CC(C)Oc1ccc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(F)c1 528952031 ZZXXRGCGGYWEOO-UHFFFAOYSA-N 397.450 4.312 30 40 GIEB CCc1ccc(C2=C[C@@H](c3cccc(Br)c3)[C@@H](C#N)C(=O)N2)cc1 1085419 FFUAQRYDYXRHLM-ZWKOTPCHSA-N 381.273 4.406 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 1459522 GWFRDVMATWXGRA-OAQYLSRUSA-N 394.515 4.009 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(OC)cc2)nc2ccccc21 4485637 CCEALRDLYIEDKC-HNNXBMFYSA-N 381.501 4.028 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)ccc1OC 4920141 ZJAXURBEKXUMHH-NZQKXSOJSA-N 394.467 4.332 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1ccc(F)cc1 5491258 LGBNBYXWJIQLFJ-KRWDZBQOSA-N 383.400 4.259 30 40 GIEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 6909869 SNVCCFWDTHJBMO-MNOVXSKESA-N 399.347 4.437 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)n1c(nc3ccccc31)N2 7495996 IVDGEWPNUOIPNN-JLCFBVMHSA-N 382.423 4.440 30 40 GIEB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3SCC#N)n2)cc1 8550576 FNZIWSXSPXHTIA-UHFFFAOYSA-N 395.513 4.127 30 40 GIEB CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccccc1N(C(=O)CS)[C@H]2c1ccco1 9936861 IQKJLPLQZHVKRW-GKCIPKSASA-N 384.501 4.083 30 40 GIEB O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 13004425 ZEXFKTDRDNXVHQ-FNORWQNLSA-N 380.831 4.252 30 40 GIEB COc1ccc(CN/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1OC 20195920 NYVFGXBUWUIBAI-YDZHTSKRSA-N 395.415 4.304 30 40 GIEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)c1csc(-c2ccccc2)n1 60043856 SLYABUPFFSJIFU-INIZCTEOSA-N 385.452 4.096 30 40 GIEB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 89921993 SQIUJGBXYIOUMR-LRDDRELGSA-N 379.485 4.345 30 40 GIEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)F 95708068 RDTGHRCAWGMFQQ-UHFFFAOYSA-N 396.131 4.487 30 40 GIEB COc1cccc([C@@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)c1OC 1653752 NGNMWZBDERUOGF-HKUYNNGSSA-N 390.501 4.444 30 40 GIEB O=C1C[C@@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 4814180 DNBITBJQVUBNAE-RNODOKPDSA-N 394.837 4.486 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3cc(Cl)ccc3C)S2)cc1 5531910 IDRUQLZUKZLWRW-INIZCTEOSA-N 387.892 4.205 30 40 GIEB C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C1CCCCC1 6083216 LVSRYXOPMNCALA-UHFFFAOYSA-N 385.489 4.216 30 40 GIEB CCCCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 12377721 LZWJUSCKNNMNAA-GLEDVZQVSA-N 381.501 4.129 30 40 GIEB COc1ccc2cc(/C=C/C(=O)c3ccc(OCC(=O)N(C)C)cc3)ccc2c1 12792987 GWARSHHJVYBGEN-WLRTZDKTSA-N 389.451 4.212 30 40 GIEB COc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682438 BNBJUOZMVQGVDM-ITYLOYPMSA-N 383.495 4.417 30 40 GIEB C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](CCCC)C(=O)O 27532645 VJBMWYRXLKWMJM-HNNXBMFYSA-N 395.912 4.432 30 40 GIEB Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3ccc(CC#N)cc3)cc2)c1 32739527 GTLHUBQVNQOGBW-UHFFFAOYSA-N 399.450 4.331 30 40 GIEB N#Cc1cccc(Oc2ccc(C(=O)OCC(=O)c3cccs3)cc2)c1C#N 35140519 IAHOXYZCQRGVSD-UHFFFAOYSA-N 388.404 4.323 30 40 GIEB COc1cc(CN2CCOCC2)cc(/C=N/c2ccc3ccccc3c2)c1O 35185457 IEVURNYZGQJIFY-BUVRLJJBSA-N 376.456 4.137 30 40 GIEB N/C(=N/OCc1c(Cl)ccc2cccnc12)c1ccnc(N2CCCCC2)c1 58381625 VHOGXMAAQQQFTO-UHFFFAOYSA-N 395.894 4.111 30 40 GIEB N#Cc1cccnc1OC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 96102881 JMVBLFSOIVCJGT-UHFFFAOYSA-N 390.365 4.047 30 40 GIEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 408916402 XDFFPKJLUIBAES-DLTWUOELSA-N 380.469 4.406 30 40 GIEB CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c1C 663288 AOBHIOUXXZKVHJ-UHFFFAOYSA-N 396.541 4.285 30 40 GIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccco1 2349286 SQYYHMCCHWAINO-UHFFFAOYSA-N 382.489 4.326 30 40 GIEB Cc1c(-c2ccccc2)ccnc1/C=N\NC(=S)Nc1ccc(N(C)C)cc1 4774495 PGUNOWAWNRLZFD-IWIPYMOSSA-N 389.528 4.444 30 40 GIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/n1c(S)nnc1-c1ccccc1 5378175 OLVWHEQGYNZHDE-CIAFOILYSA-N 394.891 4.264 30 40 GIEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 5408133 XELASRMCCWRRFV-SFHVURJKSA-N 385.847 4.280 30 40 GIEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc(Cl)cc1Cl 13400001 DHJFEMYPTHRWBS-HKWRFOASSA-N 392.202 4.092 30 40 GIEB Cc1cc(OCc2ccc(/C=N/n3c(C)nnc3S)o2)cc(C)c1Cl 36611334 BKHGKTWULKUKNA-UFWORHAWSA-N 376.869 4.200 30 40 GIEB Cc1nnc(S)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611347 BUJRZIFPIBRDAB-CNHKJKLMSA-N 383.260 4.236 30 40 GIEB O=C1C(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)=CO[C@H]2C=CC=C[C@@H]12 100380866 KRHIIDNTJUAOIM-FBFAMVNHSA-N 399.855 4.013 30 40 GIEB Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C 101649903 NEEWPNYXSMQXEI-SIUCFOQUSA-N 381.501 4.202 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)n2)cc1 104210188 GGNIQIBAUGRRDL-JBCNATCCSA-N 384.435 4.325 30 40 GIEB N#CC1(N2CCOCC2)[C@H]2CCC[C@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 257173129 DKJWIUXWEIZLOP-CJRSTVEYSA-N 387.527 4.083 30 40 GIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 408855854 FIRACSNPLUPRAK-NVNXTCNLSA-N 389.820 4.154 30 40 GIEB CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409031868 BEDOYDZQIVHHMJ-UYOCIXKTSA-N 376.272 4.198 30 40 GIEB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 4275308 UZPKHDFYEWUZQP-UHFFFAOYSA-N 381.501 4.234 30 40 GIEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COCC(F)(F)F 20477618 SYQHYZSWHICRRC-UHFFFAOYSA-N 391.393 4.169 30 40 GIEB Cc1c(C#N)c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2c1CCC2 32724167 VHDLBKWJSYCDOA-KRWDZBQOSA-N 383.542 4.268 30 40 GIEB Cc1ccc(S(=O)(=O)/N=C2/C(Cl)=C(Cl)C(=O)c3ccccc32)cc1 102943853 UENRPKAVKZDMBQ-CAPFRKAQSA-N 380.252 4.059 30 40 GIEB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1 408576545 WJCLNDHCDUXDMV-UHFFFAOYSA-N 397.430 4.475 30 40 GIEB C#CCOc1ccc(Cl)cc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 409083736 LMYANIFYJJMBQR-LGMDPLHJSA-N 388.920 4.085 30 40 GIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409161210 KYQMEVHDNADLKO-ISRLQZAWSA-N 388.467 4.160 30 40 GIEB COc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849087 FPHGFIYCAKVURQ-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cc(OC)ccc1OC 4918632 GFRHDHSAMZTCMY-SIKLNZKXSA-N 398.430 4.162 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OC 5016757 GBHCRXOMVIQNAY-GZTJUZNOSA-N 381.815 4.014 30 40 GIEB CCN(CC)c1ccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)cc1 5793611 YHHBSEDKSPYBJT-KGENOOAVSA-N 381.505 4.345 30 40 GIEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccoc1C 6910910 HDWADLXOYMEINN-UHFFFAOYSA-N 398.488 4.155 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 9110602 PNNBSHXFCCIYCJ-HXUWFJFHSA-N 379.456 4.382 30 40 GIEB CCn1cc(/C=C2/Oc3cc(OC(C)=O)ccc3C2=O)c2cc(OC)ccc21 9422072 XGJSSBOBKWRSFO-ZVBGSRNCSA-N 377.396 4.211 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)nc(C)c2-c2ccc(OC)cc2)c(O)c1 13125500 CQMISAYYTJGGAA-UHFFFAOYSA-N 377.444 4.370 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 13635105 IJYJRUAOKFEEAG-OAQYLSRUSA-N 389.455 4.453 30 40 GIEB C=CCNC(=S)N/N=C/c1ccccc1OCCCOc1c(C)cccc1C 19799750 MXMKXXHKGONTEU-LFVJCYFKSA-N 397.544 4.135 30 40 GIEB N#Cc1c(NC(=O)CSc2ncc3ccccn23)sc2c1CCCCC2 24982911 AKJDBXAXRSSFTP-UHFFFAOYSA-N 382.514 4.267 30 40 GIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 58823035 WXZZZEKXASCSBU-WSDLNYQXSA-N 391.924 4.136 30 40 GIEB CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1cccnc1 102960678 FSBDIIXOKUQNAV-DJTJUKJSSA-N 387.306 4.177 30 40 GIEB Cc1ccc(Cn2nc(Cc3ccc(Br)cc3)c(C#N)c2N)cc1 225846026 DDHHAVWWCLRPOV-UHFFFAOYSA-N 381.277 4.047 30 40 GIEB COc1ccc(/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cn1 408967487 SHNNVEXFSDAVOK-FMCGGJTJSA-N 392.411 4.127 30 40 GIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O 409167763 MVNATBCFBGTZDW-LDADJPATSA-N 393.468 4.378 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc2c1C 4849135 JIFXPDOXXLTBEC-UHFFFAOYSA-N 390.464 4.470 30 40 GIEB COc1ccc(Br)cc1/C=C1/S/C(=N/c2ccccc2)NC1=O 6713507 DGAVRDSZCQPSHP-XNTDXEJSSA-N 389.274 4.349 30 40 GIEB C=CCSc1nnc(NC(=O)c2nc(SCCC)ncc2Cl)s1 6810533 GSSABYBTSXSPHV-UHFFFAOYSA-N 387.943 4.014 30 40 GIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 9348815 INYSTSIHESUIHZ-RNODOKPDSA-N 392.846 4.053 30 40 GIEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)cc1 12412075 NGHLDXKRPJOVJD-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n1 12608360 HFEGCYJLRXETRO-NSHDSACASA-N 390.390 4.271 30 40 GIEB COCC/N=C1/SCCN1Cc1cccc(OCc2ccccc2Cl)c1 13148125 ZSDZQKAWDFOEFB-LSDHQDQOSA-N 390.936 4.470 30 40 GIEB Cc1cc(C)c(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c(C)c1 13768843 FLPKJUAXEDGQIX-UHFFFAOYSA-O 378.471 4.092 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 15228142 AXGLADQVUKIHHX-UTRRPADDSA-N 388.467 4.158 30 40 GIEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 16125475 QXPGFWNTSKMPDG-IAGOWNOFSA-N 388.307 4.366 30 40 GIEB O=C(Nc1ccccc1)c1ccc(CON=C2CCC3(CC2)OCCO3)cc1 71817044 LNXUADHZVXXERS-UHFFFAOYSA-N 380.444 4.129 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 100547227 OHFPJFDKCJZTDM-UXHICEINSA-N 376.847 4.121 30 40 GIEB Cc1ccc(/N=C2/C(=O)N(CN3CCCC3)c3ccccc32)cc1Br 103758606 ONKONDDKQPBBQE-ZBJSNUHESA-N 398.304 4.278 30 40 GIEB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@@H](C(=O)C1=CCC=C=C1)c1ccccc1 104285786 LWLQRDQENYMWAO-AUSIDOKSSA-N 391.854 4.182 30 40 GIEB COc1cc(C#N)ccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 547415962 JTYRVYSARAUNTL-OAHLLOKOSA-N 385.292 4.270 30 40 GIEB CC(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 803857 UVDDNCSYZPKTDJ-UHFFFAOYSA-N 385.436 4.317 30 40 GIEB C[C@@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccccc3Cl)N2C1=O 1626642 GJCMXDRHNNBPEY-BTDLBPIBSA-N 380.856 4.322 30 40 GIEB CCCC[C@@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O 2035554 VTUNRCQVWMUYCA-QFIPXVFZSA-N 379.460 4.217 30 40 GIEB CN1/C(=C/C(=O)COC(=O)c2ccc3ncsc3c2)C(C)(C)c2ccccc21 3478982 FIBGNVFFLPTAPO-RGVLZGJSSA-N 392.480 4.334 30 40 GIEB CC[C@@H](C)c1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 4741845 SMVILGAUYCTKEA-SJKOYZFVSA-N 398.466 4.031 30 40 GIEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 4814167 LZPHHTUPSJGXLM-XCLFUZPHSA-N 394.837 4.486 30 40 GIEB C=CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 5012067 SLVGQJFBLBJEBX-UHFFFAOYSA-N 385.441 4.193 30 40 GIEB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 7481844 CTWQSXWEQDONSG-SFHVURJKSA-N 390.483 4.093 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1O 7939544 PPMPVNDHYHNHPR-RUDMXATFSA-N 377.234 4.458 30 40 GIEB COc1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1OCC(=O)O 8322840 GEVLVMAQECUOGF-ZZXKWVIFSA-N 381.211 4.362 30 40 GIEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 9255873 ZJJPZSWGYCQOPO-UHFFFAOYSA-N 388.452 4.061 30 40 GIEB C=CCc1cc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc(OC)c1OC 12143435 XGFDTCOCFFFVAU-UHFFFAOYSA-N 392.503 4.083 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 15010525 KDDOGPRZHXIAMF-UYRXBGFRSA-N 381.453 4.497 30 40 GIEB CC/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C/c1cc(C)ccc1C 16035765 GLAZMWILDGKJMD-LOUHGFCVSA-N 393.512 4.407 30 40 GIEB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C#N)c1 23054879 ULAPGXOKQVTMGR-UHFFFAOYSA-N 380.835 4.314 30 40 GIEB COc1ccc(Br)c([C@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)c1 36611759 CGORZITTYXOQMJ-SFHVURJKSA-N 390.277 4.015 30 40 GIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c(C)c1 100261189 SIEIFUCVPFCLTD-QCLNCQLRSA-N 381.501 4.202 30 40 GIEB CCCCCCCCCCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 101463660 LAIYGCBBCQTBNY-UHFFFAOYSA-N 388.512 4.170 30 40 GIEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408774240 BNSXRIOSKSIJQE-LPYMAVHISA-N 377.400 4.320 30 40 GIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1O[C@H](C)CC 408929921 PRPACCDYYWHUFG-NQVMIIHZSA-N 382.913 4.448 30 40 GIEB CCOc1cc2c(cc1/C=N/c1ccc(I)cc1)OCO2 409084411 CUDBMJRRWPDQTA-GIJQJNRQSA-N 395.196 4.169 30 40 GIEB N#Cc1c(Cl)cccc1S[C@@H](C(N)=O)c1ccc(Br)cc1F 538949074 FQNWXIRCTDAIGB-CQSZACIVSA-N 399.672 4.432 30 40 GIEB COc1ccc(/C=N/c2nnc[nH]2)cc1CSc1nc2ccccc2s1 2260482 HEEQCLNDUZMYHU-DJKKODMXSA-N 381.486 4.466 30 40 GIEB C=C(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)c(O)c1 5497274 IONRIMUWPWESAX-CQSZACIVSA-N 388.489 4.221 30 40 GIEB Cc1cc(NC(=O)c2ccc(C#N)cc2F)cc(-c2nc3ncccc3o2)c1O 7505074 XSWJRRNZLOIOBZ-UHFFFAOYSA-N 388.358 4.167 30 40 GIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 9422719 CQQPZZJNKWJXBH-OCKHKDLRSA-N 376.437 4.111 30 40 GIEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCc1ccc(C#N)cc1 10811782 XEUHCMIWXZCZLK-UHFFFAOYSA-N 384.439 4.047 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1OC 13282222 YKTRXNDOVJDMTN-IRLDBZIGSA-N 387.435 4.110 30 40 GIEB C=CCN1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)S/C1=N\c1nccs1 13721904 CYQGCLBSQDINEW-ZUJMPGSOSA-N 396.497 4.423 30 40 GIEB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 18195070 SWYXZAJXHNLVPI-FQEVSTJZSA-N 393.874 4.342 30 40 GIEB N#Cc1cc([N+](=O)[O-])cnc1NCC1(c2ccc(Br)cc2)CCC1 60452425 BUSAPLPJPYVLGU-UHFFFAOYSA-N 387.237 4.158 30 40 GIEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc2c(c1)OCO2 72265528 NYBPIAKERSYFIN-UHFFFAOYSA-N 395.465 4.141 30 40 GIEB COc1ccc2c(c1)CC/C(=C\c1cc(O)c(OC)cc1Br)C2=O 96792353 DJXSLICQWHRYJB-KPKJPENVSA-N 389.245 4.384 30 40 GIEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccc(Cl)cc1 104238053 QXUPNJMPGTXONG-KPKJPENVSA-N 378.171 4.032 30 40 GIEB C#CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OC 211510026 LDFLLJSJBOBVGX-PDGQHHTCSA-N 381.409 4.066 30 40 GIEB O=C(O)c1cc(N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl 409214832 ZEOUTCBVAUVWQW-IDUWFGFVSA-N 398.600 4.155 30 40 GIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccn3C)cc12 409305158 MYPZETODNXTFOB-UHFFFAOYSA-N 398.422 4.039 30 40 GIEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@@](C)(CC)C3 1777179 RBTHLMWTIAPHGS-QFIPXVFZSA-N 393.512 4.300 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3cccc(F)c3)s2)cc1 3341846 UWJBNCOVAXISKE-CMDGGOBGSA-N 396.472 4.493 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@@H]2c1ccco1 5408227 BFOVJIGBVCJLAW-GOSISDBHSA-N 375.428 4.372 30 40 GIEB O=C(CSc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 5483857 DFIHSQMIFYSHEL-UDWIEESQSA-N 396.428 4.365 30 40 GIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 5787892 UIZJIBHFBFWRQL-INIZCTEOSA-N 392.789 4.452 30 40 GIEB C=CCc1ccccc1OCCOc1cccc(/C=C2/SC(=N)NC2=O)c1 6192777 ASRZADDRGNRZKD-XMHGGMMESA-N 380.469 4.012 30 40 GIEB C/C(=N\OCc1cccc2ccccc12)c1ccc(S(=O)(=O)N(C)C)cc1 6513139 GUTXXJKRASHKFU-CJLVFECKSA-N 382.485 4.031 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)n1 6606174 RWTXMOHUPDCNCT-VIFPVBQESA-N 391.827 4.487 30 40 GIEB CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 8414310 XJXQENHHUSAITR-HXUWFJFHSA-N 391.446 4.136 30 40 GIEB O=c1[nH]c2ccc(/N=C/c3c(O)ccc4cc(Br)ccc34)cc2[nH]1 16384183 AQWGSBHYJQLIAU-AWQFTUOYSA-N 382.217 4.228 30 40 GIEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@@H]4CCCO4)o3)o2)cc1 21785417 GSNLZTFFYCGMOH-INIZCTEOSA-N 379.416 4.285 30 40 GIEB CC1=CC(=N/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)C=C(C)C1=O 26787063 HRFATTODOMUMPS-ZNTNEXAZSA-N 392.480 4.047 30 40 GIEB Fc1c(F)c(F)c(/C=N/Nc2ncnc3sc4c(c23)CCC4)c(F)c1F 57622749 IYBSXTBZQMQVHR-FZZGJVLGSA-N 384.333 4.322 30 40 GIEB C=CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226340655 GIMIWANWTKHTLE-UHFFFAOYSA-N 382.641 4.419 30 40 GIEB CN(C)/N=N/c1ccc(S(=O)(=O)/N=C(\O)C23CC4CC(CC(C4)C2)C3)cc1 4784894 OATROLZQCNQPHY-LSDHQDQOSA-N 390.509 4.109 30 40 GIEB N#Cc1c(-c2ccc(OC(F)F)cc2)c(C#N)c2nc3ccccc3n2c1N 6650552 YJMXYBLBIIXDPK-UHFFFAOYSA-N 375.338 4.081 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C)cc1 16741391 AGENYXGEVXPINY-NRFANRHFSA-N 391.467 4.466 30 40 GIEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccc(Cl)cc3)nc2c1 19569329 KWHQMNANCSNMJU-UHFFFAOYSA-N 378.863 4.219 30 40 GIEB Fc1ccc(F)c(C2=NN/C(=N\c3cccc(Br)c3)SC2)c1 21702440 FCEXCLBXXKJTPD-UHFFFAOYSA-N 382.233 4.456 30 40 GIEB CC[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O 33833942 LJUJZTYMRBJWDZ-NWDJEBEPSA-N 395.455 4.451 30 40 GIEB biogenic,in-vitro C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@H]12 59410465 RKKGCRDYLZFHLX-FYEJASGKSA-N 394.559 4.123 30 40 GIEB biogenic Cn1cc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916043 CSBUEGHWYWGGEI-NCXPOXFJSA-N 380.532 4.306 30 40 GIEB O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cc(F)ccc2F)O1 167656978 HIRXVQATYCZQHB-NHCUHLMSSA-N 376.362 4.282 30 40 GIEB Cc1ccc(Cl)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12 2086868830 QACLPDDRNVUEBP-GJZGRUSLSA-N 395.919 4.097 30 40 GIEB COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OC(C)C 940352 KLXSLFCBAKOLFV-WSDLNYQXSA-N 382.489 4.248 30 40 GIEB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 1022389 CRMQKQJFPQEJBX-QNGOZBTKSA-N 399.402 4.259 30 40 GIEB CC(=O)Nc1ccc(Cc2cc[n+](CC(=O)c3ccc(Cl)cc3)cc2)cc1 4713646 SBZKXWHPTORURC-UHFFFAOYSA-O 379.867 4.060 30 40 GIEB C=C(C)COc1cccc(C(=O)Nc2ccc(I)cc2)c1 8570609 JXBZZJOOEVACPL-UHFFFAOYSA-N 393.224 4.498 30 40 GIEB C=CCn1c(=N)n(CCCOc2ccc(Br)cc2)c2ccccc21 19900338 KBLKROQRRYWYIO-UHFFFAOYSA-N 386.293 4.340 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CCCCC1 40082957 OPXAPBITOGHDMK-UHFFFAOYSA-N 392.547 4.365 30 40 GIEB N#C[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1cccc(Cl)c1Cl 66392726 LNBIRCKQOPSORL-OAHLLOKOSA-N 393.295 4.290 30 40 GIEB C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344411 KCHAGZWVKVTNCZ-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 408531225 MMDUFZQREUPCFB-ZDLGFXPLSA-N 397.477 4.386 30 40 GIEB C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)cc1 626323226 XCBMCYDURCWSGL-PMACEKPBSA-N 379.504 4.440 30 40 GIEB Cc1ccc(S(=O)(=O)NN=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1 4265410 RICCAZJOJNWAOF-UHFFFAOYSA-N 386.087 4.021 30 40 GIEB biogenic COc1cc(OC)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 5164016 AFWRJEXWFSWHMZ-ZVBGSRNCSA-N 399.325 4.085 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(C)c2)cc1 5324076 PDNHZLVOIXRKLL-VGOFRKELSA-N 386.455 4.011 30 40 GIEB CC1=CC(=O)[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5427028 HIQLOIOGTRDMIW-NKXAJQEDSA-N 396.483 4.120 30 40 GIEB endogenous,in-man COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6160533 SXCMYFYQACFION-HXUWFJFHSA-N 389.407 4.067 30 40 GIEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1CC 6558594 XJBWWMHPRUWPCC-KHOFPDMRSA-N 397.500 4.147 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21 8959570 QOBNGUOJBHZXPZ-UHFFFAOYSA-N 378.472 4.493 30 40 GIEB C=CCN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N\c1nnc(C)s1 9531125 SMGPXDKLFOEGGV-LZCBWBIGSA-N 393.497 4.185 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12781939 CIHPQKVNMBPCKM-HXUWFJFHSA-N 380.473 4.036 30 40 GIEB O=[N+]([O-])c1cc(/C=N\N=C2c3ccccc3-c3ccccc32)c(O)c([N+](=O)[O-])c1 13510814 JUONMNNXFYMELB-NHDPSOOVSA-N 388.339 4.061 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960088 WLTYYEFTVCNFQX-SCLBCKFNSA-N 378.457 4.009 30 40 GIEB Cc1nnc(N/N=C/C=C/c2ccccc2)nc1N/N=C/C=C/c1ccccc1 44859858 RETWLLDHVKAOAS-MGQHZVHLSA-N 383.459 4.402 30 40 GIEB CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 98045174 RZCPAQIKRUJDPX-LJQANCHMSA-N 388.895 4.012 30 40 GIEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc([N+](=O)[O-])c1 103436848 YMWIEDKUWSYHIF-FCDQGJHFSA-N 392.802 4.046 30 40 GIEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718865 MMTVTHCDUVCEAE-HNNXBMFYSA-N 384.863 4.205 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1 408731455 MRXGQKYVULXPMM-QFIPXVFZSA-N 398.418 4.063 30 40 GIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408761563 GCZJYUYLGGRWSB-RGEXLXHISA-N 381.501 4.433 30 40 GIEB O=[N+]([O-])c1cccnc1N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 409105298 MKEIWKOLZJYSCX-SSDVNMTOSA-N 375.310 4.245 30 40 GIEB CCc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccccc1 409133500 LCKPQVZRDAPGCL-UHFFFAOYSA-N 397.434 4.060 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582583 SNYVIUCWLSPERQ-CYBMUJFWSA-N 396.497 4.108 30 40 GIEB N#CCCN1CCN(C(=S)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 23115462 VZOKKXOGWBHZGK-UHFFFAOYSA-N 393.434 4.172 30 40 GIEB Cc1ccc(/C(CCC(=O)N2CCCC2)=N\Nc2ncnc3ccccc23)cc1 24841870 DIABHAANIWXWEK-QOMWVZHYSA-N 387.487 4.157 30 40 GIEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 57600747 BTIQAQKFOTYDAV-DZFGPLHGSA-N 394.600 4.478 30 40 GIEB C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)/C(=N/c2ccc(Cl)cc2)S1 105070784 QIJKJSWGZQWUSM-YXGOYXSWSA-N 388.876 4.376 30 40 GIEB C#CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OCC 211510390 ZZAOUYZEQSWQPZ-UYRXBGFRSA-N 395.436 4.456 30 40 GIEB N#Cc1ccccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1 409096054 JELMPBFGLBLPTQ-YBFXNURJSA-N 387.370 4.050 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 1369134 IGVGMJUCAUFERK-RTBURBONSA-N 380.517 4.327 30 40 GIEB CCc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 8058004 HVUUNNULGAHNEL-HXUWFJFHSA-N 382.510 4.250 30 40 GIEB COc1cccc(/N=C2\NN=C(c3cn(CCC#N)c4ccccc34)CS2)c1 24980814 FDXSOYLPBVNTRJ-UHFFFAOYSA-N 389.484 4.292 30 40 GIEB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(c2ccc(C#N)cn2)CC1 40067632 GBSYZDTXXZFGLA-HXUWFJFHSA-N 381.451 4.046 30 40 GIEB Cc1nnc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1C 84057870 QXXHFAVDPCJBLV-UHFFFAOYSA-N 391.302 4.432 30 40 GIEB Cc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225860798 JKOFHHSDOSYKCM-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2ccccc2c1=O 2617829 IQCUDURPNYATEH-UHFFFAOYSA-N 394.496 4.476 30 40 GIEB aggregator O=C(C[n+]1c2n(c3c(F)c(F)ccc31)CCCCC2)c1ccc(Cl)cc1 3252105 IVXQWWAIXUPWIY-UHFFFAOYSA-N 375.826 4.470 30 40 GIEB CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 4275240 IAAQYXZJRACTQK-UHFFFAOYSA-N 394.283 4.083 30 40 GIEB COc1ccc(OC)c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 4848880 KGMRJZMSBSMYKI-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270565 NZQOQPBDBUMMGM-UHFFFAOYSA-N 398.249 4.327 30 40 GIEB Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)NC2=O)c(C)c1 5532377 AVZVFACXTAYYOW-SFHVURJKSA-N 395.528 4.477 30 40 GIEB C=CCn1c(-c2ccncc2)nn(CC(=O)N(c2ccccc2)C(C)C)c1=S 6883867 HDJXIWFIPCXFBE-UHFFFAOYSA-N 393.516 4.104 30 40 GIEB CCOc1ccccc1/C=C/C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 7586396 NHMUUUYDKYTCSI-ZRDIBKRKSA-N 382.479 4.262 30 40 GIEB COc1cc(/C=N/Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccccc1 11905644 BKHKVACJRKHCJB-OEAKJJBVSA-N 390.395 4.059 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1c(O)n[nH]c1N2 12347142 HRMDDQKLHSLFJW-LJQANCHMSA-N 387.439 4.259 30 40 GIEB Oc1ccc(/C=N/n2c(-c3cccs3)cs/c2=N\Cc2cccnc2)cc1 15634873 OHGMCCISIXGHKK-JTBXLCSZSA-N 392.509 4.362 30 40 GIEB C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)CCCC2 57383547 HQMDRSQNOABDPN-CQSZACIVSA-N 379.529 4.277 30 40 GIEB C#CCOc1ccccc1CN(C)C(=O)NCC1(c2cccs2)CCCC1 72270207 DWDMHINGVRRDTF-UHFFFAOYSA-N 382.529 4.414 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC 100059005 LHXAPGGOOJIAOY-OAQYLSRUSA-N 399.487 4.015 30 40 GIEB C=C(C)[C@@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 102572683 MPHZLOIHMMVPQQ-NFBKMPQASA-N 386.455 4.011 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1 102801922 SZNVGPGSHYYPOI-HVESIFNPSA-N 376.437 4.078 30 40 GIEB CC/C(=C/C(=O)c1ccncc1)Nc1ccc(I)cc1 408751392 LQEDQBUMNMHHKX-KAMYIIQDSA-N 378.213 4.275 30 40 GIEB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C#N)c1 2726170 PEDOHVCBSWSAJS-FQEVSTJZSA-N 377.488 4.249 30 40 GIEB O=C1Nc2ccc(Br)cc2/C1=N/N=C1/C[C@H](c2ccccc2)N=N1 4695778 ZWWICSDDUGFBED-HHSBIGSDSA-N 382.221 4.101 30 40 GIEB N#Cc1cccc(NC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2)c1 5000942 CBGUNKGSCZZUCK-UHFFFAOYSA-N 398.422 4.128 30 40 GIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3sc(C#N)c(N)c32)cc1 5231373 QFHNGRAMKPPDOQ-INIZCTEOSA-N 379.485 4.411 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)no1 5800516 RWUBZBBYHSCLTN-SFHVURJKSA-N 396.349 4.044 30 40 GIEB CCCOc1ccc(Br)cc1/C=N/NCc1ccccc1OC 20762815 MHYPNRSTSZSWFW-FYJGNVAPSA-N 377.282 4.370 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 24748049 IALNLTYFXRSUPE-VGOFMYFVSA-N 376.456 4.139 30 40 GIEB CCCNc1c(N/C(O)=N/c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 28048670 CEPDCFLTVACJMZ-UHFFFAOYSA-N 397.431 4.290 30 40 GIEB COc1cc(/C=N\Nc2nc3ccccc3s2)c(Br)cc1O 30742923 YXUPNKKVBBGSEK-IUXPMGMMSA-N 378.251 4.219 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cccc(Br)c3)o2)nc1 408748987 DFHDMRHWSCFCRQ-GRSHGNNSSA-N 387.193 4.458 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 408797753 TVBAZTCDIBCMFK-QNGOZBTKSA-N 389.451 4.437 30 40 GIEB Cc1[nH]c(=N)c(C#N)c(-c2cc(Br)ccc2O)c1-c1ccccc1 408977018 CCPOMIFDLKVJNQ-UHFFFAOYSA-N 380.245 4.476 30 40 GIEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409240477 PYZBHDYVBROLCN-WCIBBKAISA-N 380.488 4.188 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)s1 815915 KNMKUACJGXILQD-XTDINYQCSA-N 382.485 4.287 30 40 GIEB COc1ccc([C@H]2[C@H](C(=O)C3CC3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 3878645 NBVZVCGNWUPXLQ-XPWALMASSA-N 395.462 4.076 30 40 GIEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccc(C)cc3)n2)cc1 4426109 YQBYQPXZWUMJGR-UHFFFAOYSA-N 390.468 4.069 30 40 GIEB CCOc1cc2c(cc1/C=C1/S/C(=N\c3cccc(C)c3)NC1=O)OCO2 4658901 DFULVTONUADMBR-GIJQJNRQSA-N 382.441 4.014 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1 4736621 OZKALOWGNDEIQT-JTSKRJEESA-N 386.455 4.011 30 40 GIEB COC(=O)c1c(/N=C/c2c(C)nn(-c3ccccc3)c2O)sc2c1CCCC2 4739514 CRIUMLCQDJOMDZ-WSDLNYQXSA-N 395.484 4.364 30 40 GIEB O=C(O)c1ccccc1N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 5600391 SFYINTLULFFILR-LFVJCYFKSA-N 384.439 4.445 30 40 GIEB CCc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 8058002 HVUUNNULGAHNEL-FQEVSTJZSA-N 382.510 4.250 30 40 GIEB N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 16124933 FEROTENZLIKBTE-UHFFFAOYSA-N 394.296 4.397 30 40 GIEB COc1cc(/C=N/c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1 18129120 NLBCSXHLFVPZAE-YDZHTSKRSA-N 375.380 4.394 30 40 GIEB CS/C(=N\C(=S)N(C)C)N(c1ccccc1)c1nc(N(C)C)s[s+]1 18207111 CACVYLGVXIOLDW-PEZBUJJGSA-N 398.628 4.255 30 40 GIEB CCc1ccc(Cl)c(CC)c1NC(=O)CSc1nc(C)nc(C)c1C#N 25060500 YRWOILZZEFYUQE-UHFFFAOYSA-N 388.924 4.474 30 40 GIEB N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 37210497 FCMVKCFOAINPBQ-HXUWFJFHSA-N 379.510 4.267 30 40 GIEB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 72313547 KBMYWRAMGLXJBG-HXUWFJFHSA-N 381.476 4.203 30 40 GIEB N#CC1(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)CCCC1 89878689 SZMNFDOEIOWDCN-UHFFFAOYSA-N 378.863 4.379 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccccc2)n1 102486733 AHLODUKJSKXMHH-GHNGSUTGSA-N 376.437 4.078 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(C)cc1 408750659 PZPZSLQNFUXVJQ-FMCGGJTJSA-N 392.415 4.332 30 40 GIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C(=O)N1CC 408930879 DGDDTOLNINJZTR-JUAGQRJUSA-N 378.501 4.278 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccc(C)o3)CC2)n1 585294759 JKJRGRQIPCGZCY-UHFFFAOYSA-N 388.475 4.076 30 40 GIEB C[C@@H]1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385967 BKWVTRYXVJLGKQ-MRXNPFEDSA-N 399.425 4.279 30 40 GIEB CCOc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 9048160 ZOQWBQVMTCLTCF-NDENLUEZSA-N 396.439 4.422 30 40 GIEB C#CCOc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1OC 12113879 JKZFFVOKKUBHNC-UHFFFAOYSA-N 390.468 4.091 30 40 GIEB COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)cc1 13728611 COXSTRSDGGEMNE-NHDPSOOVSA-N 386.407 4.063 30 40 GIEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(F)c(F)c1 16388225 QLPITNHJYOEVLX-SOFGYWHQSA-N 380.394 4.246 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccncc1 16807856 WPRIAZCGPUEWGY-UHFFFAOYSA-N 399.907 4.300 30 40 GIEB CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)[C@@H](C)c1ccc(C#N)cc1 69349167 CXDGZTXZRKMKQS-FXAWDEMLSA-N 380.492 4.081 30 40 GIEB N#Cc1c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)sc2c1CCCCC2 84372116 AQHRFBBTXCCIGC-QGZVFWFLSA-N 383.448 4.159 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F 97104932 PNTDIEXDDQEUDV-XMSQKQJNSA-N 398.430 4.162 30 40 GIEB C=CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(C)c21 100909719 HOAYPYDGPLSQII-DQRAZIAOSA-N 376.437 4.045 30 40 GIEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2ccc(Cl)c(Cl)c21 100910018 CGSYLNMDEKORIZ-PYCFMQQDSA-N 386.263 4.256 30 40 GIEB O=[N+]([O-])c1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 409068853 JKXIZGUCYWJCAA-XSFVSMFZSA-N 382.397 4.113 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Br)cc1C 409235818 BZPKDFJQUTYPDP-BKUYFWCQSA-N 389.293 4.353 30 40 GIEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 702483 BHYJUYAFTVQZKI-HNNXBMFYSA-N 381.501 4.001 30 40 GIEB Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c(Br)c1 948534 LCJPXQDNNQTTOR-UHFFFAOYSA-N 378.233 4.099 30 40 GIEB CC(=O)N1C(C)(C)CC(=NOC(=O)c2cccc(C(F)(F)F)c2)CC1(C)C 1399275 YEIVHJRDSIQITB-UHFFFAOYSA-N 384.398 4.418 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1C 2616395 MQARCBCJWPQGGT-UHFFFAOYSA-N 383.473 4.325 30 40 GIEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)O[C@@]2(O)CC(C)(C)CC(=O)[C@@H]12 4666719 NMOVZZLGMACDGB-PTLVVNQVSA-N 398.499 4.146 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)ccc1OC 4920142 ZJAXURBEKXUMHH-REWPJTCUSA-N 394.467 4.332 30 40 GIEB C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccccc1OC 6076688 CFFVKVQPRPMQIG-UHFFFAOYSA-N 395.484 4.123 30 40 GIEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccccc1 18098241 SELJVMWIPQRSIV-OAQYLSRUSA-N 385.419 4.478 30 40 GIEB CN1/C(=C\C(=O)COC(=O)CCC(=O)c2cccs2)C(C)(C)c2ccccc21 18103073 SYYURDQLCVGQJD-MOSHPQCFSA-N 397.496 4.135 30 40 GIEB N#CC1(NC(=O)CSc2ncnc3sc4c(c23)CCC4)CCCCCC1 42688495 CMXGMVQVMJRUFR-UHFFFAOYSA-N 386.546 4.005 30 40 GIEB N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(Cl)c2c1 85345111 INRCIHFDLCRVMG-UHFFFAOYSA-N 381.215 4.385 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C)cc1 101650763 GXUNUVIHUJIANH-VCGVYRDQSA-N 395.528 4.456 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1cccc(C(=O)O)c1 409055100 CKEKAVWLGZZZIR-ZIKOHYJISA-N 396.468 4.326 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(N2CCCC2)o1 409401687 BTDUMDSMTNJZGO-UHFFFAOYSA-N 384.439 4.139 30 40 GIEB COc1ccc(N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)cc1 2429004 CEBZIYGQLZHAII-UHFFFAOYSA-N 394.862 4.202 30 40 GIEB COc1cccc(N2C(=S)N/C(=N\c3ccccc3)[C@@]23CCOC(C)(C)C3)c1 5625269 OOCPYGNMOGVRQU-QFIPXVFZSA-N 395.528 4.448 30 40 GIEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccc1O 12603098 GAXRKHYDCGXAGF-UISDIUMDSA-N 388.290 4.097 30 40 GIEB O=C(NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 19939065 YQCLSXHFWJWUJA-UHFFFAOYSA-N 394.290 4.166 30 40 GIEB N#CCSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344131 BZDBVJXJJMONLU-GHMZBOCLSA-N 385.301 4.203 30 40 GIEB CCCC[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 100842614 IWYLPXNBDRALDH-SKQREZPOSA-N 388.514 4.197 30 40 GIEB O=C1Oc2ccc(Cl)cc2N/C1=C/C(=O)c1cccc(Br)c1 100902568 QEOHUNPNMFWQSU-MDWZMJQESA-N 378.609 4.200 30 40 GIEB C=CCc1cc(C(=O)Nc2ccc(I)cc2)ccc1OC 408705746 MSFTXINPVQUWCY-UHFFFAOYSA-N 393.224 4.281 30 40 GIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccs1 1531224019 DINKNBPSMFYKIA-GRSHGNNSSA-N 390.306 4.400 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 2745700 IUWCDJHSYKBNGI-NBVRZTHBSA-N 394.496 4.296 30 40 GIEB COc1ccc2ccccc2c1/C=N/Nc1nnc2c3ccccc3n(C)c2n1 4457691 CINJGABJDCJYSY-YDZHTSKRSA-N 382.427 4.124 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\C1CCCCCCC1 4577417 BCOIMQMPPNCHRX-GLEDVZQVSA-N 387.549 4.448 30 40 GIEB CCOC(=O)c1ccc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 5953234 USPAWGRKZQKNEM-CIAFOILYSA-N 379.372 4.076 30 40 GIEB CCOc1ccc(-n2c(SCCC#N)nnc2-c2cccc(OC)c2)cc1 6039260 DSJMINZGIQZPSE-UHFFFAOYSA-N 380.473 4.347 30 40 GIEB Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 7776706 VEGDBMOHGFBUIU-VIFPVBQESA-N 378.548 4.168 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(C)c3)cc21 8959593 QIWFYOXDBWWXLT-UHFFFAOYSA-N 378.472 4.114 30 40 GIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1O 18197502 PDVKLODPMFZVHL-NRFANRHFSA-N 393.439 4.330 30 40 GIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)c1ccc(Br)cc1 21006059 XOYHHBFIJJOQBB-NABPABCNSA-N 390.233 4.190 30 40 GIEB Cc1cc(C(=O)Nc2ccccc2C#N)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615781 JJDSDCPKFKKYQP-UHFFFAOYSA-N 385.402 4.300 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 100349927 DFQBGFGTTHNWOX-ONUIUJJFSA-N 388.467 4.184 30 40 GIEB COc1ccc(/C(C)=N/Nc2nc(C(F)(F)F)nc3ccccc23)c(O)c1 100669888 NJLMPLVRMHAFAF-YSURURNPSA-N 376.338 4.199 30 40 GIEB C(=N\CCCCCC/N=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 104063620 ZWPDHGGXVIGYSN-NQGGHMMCSA-N 380.444 4.242 30 40 GIEB CC1(C)CC(OC(=O)c2ccncc2)CC(C)(C)N1OC(=O)c1ccccc1 1440463 IGWVFRBUCGMWLB-UHFFFAOYSA-N 382.460 4.032 30 40 GIEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(C)cc2C)cc1 2369458 FEVYXGUIFIEGRU-LNSRMSNSSA-N 381.501 4.166 30 40 GIEB CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2374686 NEFJMCURUIQCFW-GOSISDBHSA-N 394.519 4.453 30 40 GIEB CCc1c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)nc2c1CCC2 3206425 SMZQJDLLGOUALU-UHFFFAOYSA-N 390.464 4.086 30 40 GIEB C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 3413845 KPLJRAWCNXJELZ-SWLSCSKDSA-N 389.546 4.115 30 40 GIEB CCNC(=S)N/N=C/c1ccc(OCCOc2cc(C)ccc2C(C)C)cc1 4512026 XDQOTAQGWAZVKR-BUVRLJJBSA-N 399.560 4.394 30 40 GIEB C=CCN(Cc1cccs1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 12980996 TWTIWAFRSASNHK-UHFFFAOYSA-N 388.496 4.370 30 40 GIEB C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)C[C@@H]12 15107417 CFUPNMDNSQIWBB-TXUXIZPASA-N 390.520 4.260 30 40 GIEB endogenous,in-man O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1nonc1N2 20718156 JOOHHYFZFYYVPD-HXUWFJFHSA-N 388.427 4.234 30 40 GIEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 27984034 PNPWLACRSLVBNI-UHFFFAOYSA-N 391.423 4.246 30 40 GIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1O 34107318 HFDDLYBTFFRYGB-LRNAUUFOSA-N 395.124 4.467 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2cc1OC 35311848 XKLBNJBVWZQYBK-UHFFFAOYSA-N 382.416 4.238 30 40 GIEB C=CCc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OC)c1OCC(=O)O 59303527 FPHMMJBOPZQCLJ-LSHDLFTRSA-N 377.799 4.430 30 40 GIEB CCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)S/C1=N/c1ccccc1 409054220 SRXSBBSPLZXXRI-HEIFMEGOSA-N 396.468 4.438 30 40 GIEB COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2)cc1 626167 IYKDZZQXRJJLTA-LJQANCHMSA-N 379.456 4.206 30 40 GIEB COc1ccc(/C=C2/Oc3c(Br)c(OC)cc(OC)c3C2=O)cc1 1698974 SCSJTYPFDAWLPS-RIYZIHGNSA-N 391.217 4.091 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2487245 DYGWHQFLEPNVJX-GOEBONIOSA-N 390.892 4.108 30 40 GIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3Cl)c2)c1 3350570 WPXLOPKHGUTDHP-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6638973 JQVDZUGRJJSTNZ-ZVBGSRNCSA-N 399.325 4.085 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2C)c1C#N 6963840 ALPHUXPXOCLFQR-UHFFFAOYSA-N 375.881 4.101 30 40 GIEB N#Cc1cccc(COC(=O)COc2ccc(Cl)cc2Br)c1 7430812 QABIHZFQNGEHEF-UHFFFAOYSA-N 380.625 4.096 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3)cc21 8959575 LBSHGURMGMBLGM-UHFFFAOYSA-N 378.472 4.196 30 40 GIEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCCCn1ccnc1 12418868 FGWJZHXATWRJIB-UHFFFAOYSA-N 389.415 4.084 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccs1 19798498 VAFCCRUOBMQJCG-BLVKFPJESA-N 385.510 4.344 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 39556377 ZXNGUMOODNUSRF-XDHOZWIPSA-N 391.858 4.422 30 40 GIEB CCCCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1 100087514 ZAURZSFWBHNHMR-XUTLUUPISA-N 382.530 4.193 30 40 GIEB COc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 226361848 LWYQGTYOQOOLBT-UHFFFAOYSA-N 387.351 4.378 30 40 GIEB C=CCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408976430 FQLYLSWYQLXAJZ-UHFFFAOYSA-N 382.427 4.061 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 658628 GONAFHVWHKBLFE-UHFFFAOYSA-N 382.514 4.113 30 40 GIEB CC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O 2372729 RBGDPVLILJKLTM-SPKHDRPZSA-N 396.472 4.147 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@@H](C)[C@@H](O)c4ccccc4)[C@H]3C[C@H]12 4029599 RNTVEMBMXUXGLJ-KGKBDIKXSA-N 397.559 4.355 30 40 GIEB biogenic CNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1=O 4667398 ZMFSLVZATMKYDC-RMKNXTFCSA-N 378.653 4.401 30 40 GIEB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 6485672 OSTSJMMSXMVPMI-QGZVFWFLSA-N 392.455 4.367 30 40 GIEB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 12533332 YMDAJHZBDIWIPH-CALCHBBNSA-N 383.517 4.122 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1 16807863 BIAZQVDYRZCKNW-UHFFFAOYSA-N 393.516 4.209 30 40 GIEB NS(=O)(=O)c1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 16952935 MVPKSPFMBBXLJT-ZVHZXABRSA-N 389.480 4.088 30 40 GIEB CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2c1N 20101247 XQSVBUZUXQYWMJ-UHFFFAOYSA-N 380.473 4.299 30 40 GIEB COc1cc(Br)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 83915494 KCDVNXBKZZLUJA-VOTSOKGWSA-N 392.205 4.271 30 40 GIEB CCOc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 100242834 CBYCHZLEMKIRCG-UCQKPKSFSA-N 378.428 4.124 30 40 GIEB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\O)cc1Cl 409258285 SSTMREJQNUTVQW-UWVJOHFNSA-N 397.656 4.237 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(OC)c1 2444135 QIRUKGSSFUILOI-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccc(Cl)c2)cc1 4510916 DKOPUTYSDFFDBY-UHFFFAOYSA-N 380.835 4.378 30 40 GIEB Cc1ccc(NC(=O)c2ccc(N/N=C/c3cccc(O)c3)c([N+](=O)[O-])c2)cc1 4593046 TZWNJNJPPPAUGQ-LPYMAVHISA-N 390.399 4.307 30 40 GIEB CN(C)c1ccc(/C=C2/S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1 4817480 DZKGREDHVFTEMB-VGPIXTITSA-N 384.892 4.000 30 40 GIEB CCOc1ccc(-n2c(C)cc(/C=N/N3C(=O)c4ccccc4C3=O)c2C)cc1 7944955 VEWLULUJUJXEBO-ZVHZXABRSA-N 387.439 4.123 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 19798640 SVGAPJSSFZVHQU-HTAPYJJXSA-N 391.442 4.360 30 40 GIEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc23)cc1 33361370 CAHNRZHBIMBGMS-KRLZMICPSA-N 389.480 4.314 30 40 GIEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)c(O)c1 59459396 MNYCNBDEEKZWCI-UNOMPAQXSA-N 381.501 4.438 30 40 GIEB Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Br)cc1Cl 409262092 FAYVBKGKZFSHMN-UWVJOHFNSA-N 397.656 4.237 30 40 GIEB COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 987631 LVXDMAKCDDVKDZ-XMMPIXPASA-N 384.435 4.430 30 40 GIEB C=CCOC(=O)C[C@H](C(=O)OCC=C)P(=O)(OCCCC)OCCCC 4691825 NYGLFNJRABHOAE-MRXNPFEDSA-N 390.413 4.030 30 40 GIEB COc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c(OC)c1 5020303 XRZZTKXIMREIJN-WYMPLXKRSA-N 386.411 4.141 30 40 GIEB COC(=O)c1cc(-c2ccc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)o2)ccc1Cl 5511366 COBAPBCYEZBDTL-LSHDLFTRSA-N 395.802 4.307 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1C 5532421 KAHDDSHQSMOTNB-MRXNPFEDSA-N 387.892 4.205 30 40 GIEB S=c1[nH]ncn1/N=C/c1cccc(OCc2ccc(Br)cc2)c1 5632774 RSPVORPGNXGSDQ-DJKKODMXSA-N 389.278 4.164 30 40 GIEB CC1=C(C)/C(=N\C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)C=CC1=O 6145965 UWRRXPNWVCCTDK-AJVDQADQSA-N 392.480 4.047 30 40 GIEB C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 6856394 DLGCAVDNZXRFKZ-UHFFFAOYSA-N 390.274 4.357 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 13546553 NCLBTVQAQYGRGI-DHDCSXOGSA-N 388.788 4.178 30 40 GIEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21721986 UJJOOUBUPZWULD-JOCHJYFZSA-N 395.528 4.255 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccc(OCCOC)cc2)cc(Cl)c1O 44027671 IOWNPFKXVLPSJA-RUDMXATFSA-N 376.836 4.366 30 40 GIEB CCN(C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1)c1ccccc1C 48287801 JZSRYWRULFKXJB-UHFFFAOYSA-N 392.459 4.044 30 40 GIEB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 89921991 SQIUJGBXYIOUMR-WBMJQRKESA-N 379.485 4.345 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1C 97105033 NPLNXDJTEIHPCD-NFBKMPQASA-N 394.467 4.332 30 40 GIEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)c(Cl)c1 101545459 XSTJNSXAYLZISU-JOJWKMGHSA-N 391.855 4.069 30 40 GIEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218473698 YLYWCXQADYNOIR-OKZBNKHCSA-N 396.295 4.089 30 40 GIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc(Br)ccc1O 408873984 YESHMYRKQSIHOU-ZSOIEALJSA-N 393.237 4.185 30 40 GIEB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)c1 409236466 GSPAVAFPNIXSNG-UDWIEESQSA-N 383.407 4.220 30 40 GIEB COCc1ccc(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1C#N 1616042992 YZICTHAXLCDHKX-HNNXBMFYSA-N 385.414 4.394 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 5183653 VFCIIUQNKQUAHM-UHFFFAOYSA-N 394.525 4.415 30 40 GIEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1 6782922 ALVRHHWMZBGEQK-SRZZPIQSSA-N 396.472 4.406 30 40 GIEB CCOC(=O)COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195166 PNHNMPDUTBNJIZ-UFFVCSGVSA-N 381.259 4.059 30 40 GIEB Cc1ccnn1CCC(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133269 UKROUTIYUCKSIT-UHFFFAOYSA-N 386.499 4.001 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nccc(C(F)(F)F)n2)c1 12747645 HXENPONYNWIAAZ-UHFFFAOYSA-N 394.422 4.151 30 40 GIEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13690020 QWNKQEBGYWPQHS-JMIUGGIZSA-N 377.371 4.387 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S[C@H]1CCCCNC1=O 22202496 UMROFMVETAWLNN-AWEZNQCLSA-N 397.447 4.461 30 40 GIEB CCOc1ccc(Br)cc1/C=N\OCC(=O)Nc1ccc(C)cc1 34700757 PDOAFJUSJZNLFA-JAIQZWGSSA-N 391.265 4.145 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCC#N 40140032 FWOPEQIAESFORS-KRXBUXKQSA-N 377.318 4.392 30 40 GIEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1C#N 59433728 ZXHWIXCDOGISPJ-BRJLIKDPSA-N 391.450 4.401 30 40 GIEB COc1cc(CC/N=C\c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC 103063554 VJQXOISOAAINCC-UKWGHVSLSA-N 399.230 4.286 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242722940 XYYYKHYBICHIBT-VAMGGRTRSA-N 389.904 4.135 30 40 GIEB Fc1ccccc1COc1ccccc1/C=N/NC(=S)NCc1ccccc1 4511764 UYRWHBNTZGHJRI-MFKUBSTISA-N 393.487 4.403 30 40 GIEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 4948774 HKVHKUCOUKYWEO-VGOFMYFVSA-N 388.471 4.419 30 40 GIEB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 6128617 JWGHUVPQPWSQGQ-CQSZACIVSA-N 389.484 4.136 30 40 GIEB CCn1nnc2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)ccc21 95364863 JBERGKGAERHSDB-UHFFFAOYSA-N 379.489 4.296 30 40 GIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC)CC1 257243813 IIQZRCUPEVEGIW-UHFFFAOYSA-N 390.527 4.217 30 40 GIEB COCc1cc(C)nc(N/N=C\c2c(OC)ccc3ccc(OC)cc23)c1C#N 409008515 XJLCEOFXDINYLC-MSXFZWOLSA-N 390.443 4.025 30 40 GIEB N#CCSc1ccccc1NC(=O)COc1ccc(F)cc1Br 3406194 VCQLODFDYRRFGZ-UHFFFAOYSA-N 395.253 4.221 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 4028530 UNCXCKBXOLLLTG-FLWDDDKSSA-N 399.531 4.108 30 40 GIEB biogenic Cc1csc([C@H](C#N)C(=O)CSc2ncnc3c2oc2ccccc23)n1 6610310 RHYYIFFRUYPJNK-GFCCVEGCSA-N 380.454 4.110 30 40 GIEB N#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCCCC1 29934326 VKKCZIVZXBSBLS-UHFFFAOYSA-N 377.513 4.293 30 40 GIEB N#Cc1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 58160137 LFBSGHBMOUEXGT-OAHLLOKOSA-N 393.378 4.040 30 40 GIEB C=C(C)COc1cccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)c1 96256736 XZLYSSUEUYXXBG-UHFFFAOYSA-N 383.473 4.415 30 40 GIEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 96346449 UZYYCMIAZOEUJL-LEWJYISDSA-N 384.483 4.140 30 40 GIEB C=C(C)C(=O)OC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 201965718 RKVTYVMUBOUFTE-ZCFIWIBFSA-N 384.141 4.141 30 40 GIEB COC(=O)c1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 408722794 NIYLMUYZYMPODR-WSDLNYQXSA-N 378.453 4.455 30 40 GIEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(C)cs3)cc2OC)cc1 409060804 WCXBBAFAFHWYDA-SRZZPIQSSA-N 397.456 4.134 30 40 GIEB CCOc1ccc(/N=C/c2cc(C)cc(I)c2O)cc1 1433561 WQTGREOBDVQOAX-VCHYOVAHSA-N 381.213 4.455 30 40 GIEB N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 4704805 OBGLBJXFXYCSAZ-ODLFYWEKSA-N 387.370 4.050 30 40 GIEB CCN(CC)CCn1c(/N=C/c2ccc(OC)c(OC)c2)nc2ccccc21 4741741 IDWXSYOFSJTKCL-XQNSMLJCSA-N 380.492 4.146 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)c(C#N)c1C 5473658 PSPAVCNVOJMPPS-UHFFFAOYSA-N 395.440 4.321 30 40 GIEB COc1ccc(CN/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1OC 20195922 FGIQVSSOZHQQDX-YDZHTSKRSA-N 395.415 4.304 30 40 GIEB N#CCOc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cc1 40141379 ZNJZNDLMCJDXJL-UHFFFAOYSA-N 386.455 4.296 30 40 GIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218407255 XYYYKHYBICHIBT-SLFFLAALSA-N 389.904 4.135 30 40 GIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224636302 HIUMUOZTNUCZIJ-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224659549 JJEOSMJNZCSAOE-UHFFFAOYSA-N 375.490 4.172 30 40 GIEB COc1ccc(OC)c([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 408752405 FCHSFTAOYHCMDT-VWKPWSFCSA-N 377.400 4.310 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl 409088165 DZZOVSNCPKRDNH-YDRQLGOLSA-N 395.933 4.285 30 40 GIEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409266620 QMJAEZRSBMFMSI-FBHDLOMBSA-N 376.840 4.181 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2ccccc2C(C)C)c(C#N)c1C 783742 ORXUXZYTVUVMGH-UHFFFAOYSA-N 386.473 4.246 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 5230923 GXDWYRVSVJHIQA-UHFFFAOYSA-N 396.462 4.446 30 40 GIEB C[C@@H]1CCc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)C1 5347648 QULJDXSJQIDKBT-HKXVIOCSSA-N 377.473 4.015 30 40 GIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 5620358 QIHZMIQGNUIAES-UHFFFAOYSA-N 394.500 4.082 30 40 GIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1C 6846158 XVBBQFYXDYILIY-NSHDSACASA-N 383.542 4.488 30 40 GIEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 8326125 PFVVUJLWJRPDCQ-BZNIZROVSA-N 385.489 4.126 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 12625451 XONQYMMSOULVHN-FLFQWRMESA-N 399.410 4.452 30 40 GIEB Cc1cc(C)nc(/N=C(\N=C(/O)C(C)C)NCCc2c[nH]c3ccc(F)cc23)n1 18043297 OUVVNPAMLZINSA-UHFFFAOYSA-N 396.470 4.146 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCN1CCOCC1 19299298 YULMGFQUCRTXHA-UHFFFAOYSA-N 399.463 4.125 30 40 GIEB N#Cc1c(SCC(=O)c2ccccc2)nc(N2CCCC2)c2c1CCCC2 20573770 GPRBTZIDRAYOBY-UHFFFAOYSA-N 377.513 4.407 30 40 GIEB O=S(=O)(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 28640790 TYFHLNFSLBQEQI-HAHDFKILSA-N 389.480 4.002 30 40 GIEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 57600733 YQXCQOOCMWBICS-SESVDKBCSA-N 376.610 4.338 30 40 GIEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1cccc2ccccc12 58823117 SOGWTXBGXGENEZ-FOKLQQMPSA-N 399.903 4.248 30 40 GIEB COc1ccc2c(c1)CC/C(=C\c1cc(Br)c(O)c(OC)c1)C2=O 96792351 QZJQEYFTFUWHPG-NTUHNPAUSA-N 389.245 4.384 30 40 GIEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/c2ccc3c(c2)OCO3)c1C 408912706 RRTYPSCIJISRBQ-SSDVNMTOSA-N 393.399 4.490 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 2631153 KTOCYMQXHYTQJZ-UHFFFAOYSA-N 397.390 4.162 30 40 GIEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C(C)C)cc3)C2)cc1 3671998 BXDAHCQUEITDEX-HXUWFJFHSA-N 392.499 4.362 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1C 4919847 MFMYOKFTJOOHBO-AUSIDOKSSA-N 394.467 4.332 30 40 GIEB COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc(OC)c1OC 6215408 FYPUAPMQFNXAAT-WOJGMQOQSA-N 398.484 4.221 30 40 GIEB C=CCN(C(=O)CCc1cccc(OC)c1OC)c1nc2c(s1)CCCC2 10219984 VMMAGKBBPULHGB-UHFFFAOYSA-N 386.517 4.191 30 40 GIEB CCN(CC)S(=O)(=O)c1ccc(C)c(N/C(S)=N\C2CCCCC2)c1 13597788 IJDAFHGXEAPJLF-UHFFFAOYSA-N 383.583 4.056 30 40 GIEB CN1/C(=C\C(=O)CSc2nnc(-c3ccco3)n2C)C(C)(C)c2ccccc21 32721566 RDVWKFGTSWPVLZ-PDGQHHTCSA-N 394.500 4.048 30 40 GIEB N#Cc1cnn(-c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1N 32815058 SDKPSIFYODXOSJ-UHFFFAOYSA-N 395.422 4.371 30 40 GIEB C[C@@H](/C(O)=N/C1CCCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 36395688 SFOCNTZMIFRDEV-HNNXBMFYSA-N 383.458 4.111 30 40 GIEB N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 79103407 IMJJJHLRZQYBBK-UHFFFAOYSA-N 387.370 4.237 30 40 GIEB CCCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)CCCC1=O 100157048 WNJCVXZNXKIXDD-UHFFFAOYSA-N 387.520 4.383 30 40 GIEB COc1cc(C)c(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 107765843 YLUUYQJUIDLJOJ-NKVSQWTQSA-N 383.326 4.385 30 40 GIEB C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 107995626 ZXHPYSJZOSWNHR-XSFVSMFZSA-N 399.450 4.111 30 40 GIEB N#CC1(NC(=O)COc2ccc3cc(Br)ccc3c2)CCCCC1 3476884 DTRRGAQFBVVRRI-UHFFFAOYSA-N 387.277 4.324 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4155224 QPLLVENXOUMKGH-SNPRPXQTSA-N 386.517 4.376 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2=C(C[C@H](C)CC2=O)N1 4944088 GLOLWJBZHYMUIN-FPTDNZKUSA-N 387.483 4.243 30 40 GIEB CCc1nc(SCC(=O)Nc2ccc(F)cc2F)c(C#N)c2c1CCCC2 12249670 QKLYLIKUORGMSE-UHFFFAOYSA-N 387.455 4.403 30 40 GIEB COc1cc2c(cc1OC)[C@H](c1cccs1)N(/C(S)=N\C(C)C)CC2 13688098 QQLNMDAPIDVWLK-GOSISDBHSA-N 376.547 4.407 30 40 GIEB N#Cc1cccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 22412266 DOPNGZAIQQJEIE-UHFFFAOYSA-N 392.440 4.003 30 40 GIEB Cn1c(SCC(=O)NC2(C#N)CCCCCC2)nc2cc(Cl)ccc21 46882552 MWBNVAWPYZXREF-UHFFFAOYSA-N 376.913 4.052 30 40 GIEB CCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856392 ZFOOLVLKTNOOAS-UHFFFAOYSA-N 375.918 4.457 30 40 GIEB CCCOc1ccc(Br)cc1/C=N/N=C1/C(=O)Nc2ccccc21 2080835 LEAHGVGTTLLDPH-RGVLZGJSSA-N 386.249 4.013 30 40 GIEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 7275630 MLRGXICEWZFMKF-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)ccc1O 12032554 LNCGGJUFIFEZIK-UNOMPAQXSA-N 376.437 4.446 30 40 GIEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1nccs1 12250962 LYWPLIQVFDYBHF-UHFFFAOYSA-N 386.889 4.461 30 40 GIEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@H]2C)C1=O 16810031 CAEYRKUXZWZVOL-PJMHOZITSA-N 379.456 4.391 30 40 GIEB biogenic CC1=C(C(=O)OC2CCCC2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 22611829 JKPTUNMJXIONQF-FQEVSTJZSA-N 380.488 4.171 30 40 GIEB Cc1ccc(-c2nc(C#N)c(N/N=C/c3coc4ccc(C)cc4c3=O)o2)cc1 28467717 ORKJKZVKNDUXPS-BHGWPJFGSA-N 384.395 4.383 30 40 GIEB CSc1nncn1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611525 NYFHMDJLFRRADU-FBCYGCLPSA-N 383.260 4.361 30 40 GIEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H]1CCCC[C@H]1C(F)(F)F 102832491 JSOZRCAMBDMBHB-SFYZADRCSA-N 375.259 4.162 30 40 GIEB O/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 216811122 AMYSGGGJQDYGGK-IUXPMGMMSA-N 387.604 4.332 30 40 GIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c(Br)c1C 1434353 YKAJRUMRXXYMNW-CIAFOILYSA-N 389.293 4.359 30 40 GIEB CCCCCCCCCc1nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3 2240028 FPVFPHCZHCBAMO-UHFFFAOYSA-N 377.554 4.316 30 40 GIEB CCOc1ccccc1NC=C1C(=O)CC(c2ccc(OC)c(OC)c2)CC1=O 2283587 BIGVQDFVXLXGFB-UHFFFAOYSA-N 395.455 4.114 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2C)CC1=O 4385954 GDFAIHHFBCMZHL-LJQANCHMSA-N 389.499 4.234 30 40 GIEB Cc1[nH]c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc1Cc1ccccc1 4492512 SSRQHPIKYPIPKD-HNNXBMFYSA-N 376.485 4.300 30 40 GIEB Cc1cccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c1 4578380 YGBMLCRDBGARPL-DARPEHSRSA-N 399.410 4.122 30 40 GIEB CCc1ccc2nc(SCC(=O)NCc3ccc(OC)cc3)c(C#N)cc2c1 4848959 KRNLEKYWEZCFJB-UHFFFAOYSA-N 391.496 4.086 30 40 GIEB CCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1 5529351 LPDPTKXSRUVEEG-INIZCTEOSA-N 387.892 4.150 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccc(N(CC)CC)cc1)C1=C(CCCC1=O)N2 6677830 HCDWIEKURQEHKW-IBGZPJMESA-N 397.548 4.258 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC 6783123 IXQJZPPVVZMKSR-HXUWFJFHSA-N 395.455 4.082 30 40 GIEB N#Cc1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1Cl 25946874 JZWNDPOGNHWTCO-UHFFFAOYSA-N 395.890 4.135 30 40 GIEB C=CCc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(OCC)c1O 33412976 WWKQIEPCBQXAPF-GVAPCENYSA-N 386.498 4.394 30 40 GIEB COc1ccc(OC)c(-c2csc(/N=C(\O)CN3CCCCCC3)n2)c1 49578555 BXVRAICOSVFOKR-UHFFFAOYSA-N 375.494 4.291 30 40 GIEB N#CCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344122 BZDBVJXJJMONLU-QWRGUYRKSA-N 385.301 4.203 30 40 GIEB C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@@H](C(=O)CCCCCCC)[C@@H]1C2 85897799 AQTJNEHGKRUSLT-PVCAJNBOSA-N 386.488 4.224 30 40 GIEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N/c3ccccc3)N(C)C1=O)S2 100500426 YPWXOBCWRHXBDT-KNCPBYNISA-N 383.498 4.299 30 40 GIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224901849 LYVCQAGQZMTCMN-UHFFFAOYSA-N 399.299 4.333 30 40 GIEB C#CCOc1c(CC=C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC 408591114 IPPNSEGVSZWLDM-HZHRSRAPSA-N 394.427 4.285 30 40 GIEB CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385314 FMNGPKIWIHKENR-LFVJCYFKSA-N 386.455 4.385 30 40 GIEB CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 658860 KNONFVJMISTVFL-NJYVYQBISA-N 375.378 4.081 30 40 GIEB N#Cc1ccccc1Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21 1104622 VQVNGWVBSGKVMN-NVMNQCDNSA-N 375.478 4.050 30 40 GIEB CCOc1ccc(-c2nc(NC(=O)COc3ccccc3C#N)sc2C)cc1 2645705 YOLDALAHVYFKOU-UHFFFAOYSA-N 393.468 4.406 30 40 GIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 3228209 SQTPYGXPLLJJCT-UHFFFAOYSA-N 386.256 4.073 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1Cl 3350957 JYTIQSYVJIJROK-UHFFFAOYSA-N 390.826 4.460 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC 4918902 HDZYEWCYSPHZKN-HNAYVOBHSA-N 386.469 4.085 30 40 GIEB N#Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1Cl 6083475 MWDDLDDBPQTLTO-KRWDZBQOSA-N 395.875 4.317 30 40 GIEB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 8257714 SRZVQHQVUGEKDI-JTQLQIEISA-N 387.896 4.135 30 40 GIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 28182864 WDVRBGQZHAHKKK-JAIQZWGSSA-N 390.464 4.154 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc3ncccc3c2)S/C1=N\c1nnc(C)s1 54360824 PPTCCRCKMOORFJ-LCUCDLPVSA-N 393.497 4.185 30 40 GIEB N#Cc1c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)sc2c1CCCCC2 84372113 AQHRFBBTXCCIGC-KRWDZBQOSA-N 383.448 4.159 30 40 GIEB CCCCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OCC 96193681 DXBFMVNOLFKTBG-JYRVWZFOSA-N 382.254 4.343 30 40 GIEB C[C@@H]1CCC[C@@H]1/C(=N/S(=O)(=O)c1cccc2cccnc12)N1CCCCC1 104094532 FXDROURZMAFNBJ-LVNJSUDTSA-N 385.533 4.244 30 40 GIEB O/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)cc1Cl 104291401 FTSMJSLJKOUTRA-VUZLNAKASA-N 398.633 4.208 30 40 GIEB COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)cc1 137587106 UWRJQARIKJTBFJ-YDZHTSKRSA-N 377.396 4.429 30 40 GIEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409063900 ARIAEKXJXYHKKW-LPYMAVHISA-N 379.420 4.242 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 2444941 HPOGIQPSCRIXHT-UHFFFAOYSA-N 398.557 4.464 30 40 GIEB C=C(C)[C@@H]1CC=C([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 4028933 LOISBJJFWMKRLS-BTOULBCGSA-N 376.460 4.125 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 4664405 JAUUUZXOWLNQOM-JRLDGGGSSA-N 384.432 4.236 30 40 GIEB N#Cc1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)sc2c1CCCC2 4880999 DZGCLPZEEFTOCU-UHFFFAOYSA-N 393.424 4.135 30 40 GIEB Cc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 4945117 ITJBKYRJVLKYES-ZSEKCTLFSA-N 385.427 4.077 30 40 GIEB COc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC 5446414 NFDFOGXGKSCYTI-QPJQQBGISA-N 389.761 4.226 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(C)c1 5477946 OEVSEGBEAVUKTL-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc4nsnc34)cc2)cc1 19077858 RWMFPWALIARDMW-UHFFFAOYSA-N 386.436 4.247 30 40 GIEB COc1cc(OC)cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 31777125 GOJCCNFCYCGJKO-UHFFFAOYSA-N 388.423 4.407 30 40 GIEB CC(C)(C)C(=O)N1CCC(=NOCc2ccc(F)c(Br)c2)CC1 54209847 RSVYJHXVDMHYJW-UHFFFAOYSA-N 385.277 4.129 30 40 GIEB O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1Br 102660650 WDRRJBFNVQEHAV-NMWGTECJSA-N 392.256 4.334 30 40 GIEB N#CCOc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409041520 WASNEQPTHDBYBO-YCPBAFNGSA-N 393.262 4.456 30 40 GIEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1 409145813 RXMVTOBNTDHVNV-ZROIWOOFSA-N 377.252 4.394 30 40 GIEB Cc1sc2ncn(/N=C/C=C3/N(C)c4ccccc4C3(C)C)c(=O)c2c1C 1746270 ASGFYKQYSVGNFZ-IPNAKFJVSA-N 378.501 4.220 30 40 GIEB CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(Cl)cccc2s1 4359307 NZLGWFVXFVKUSY-UHFFFAOYSA-N 384.892 4.030 30 40 GIEB CCc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2c1 4848923 STSNELLHKQPEDA-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 5901684 RORSIQUYBILFCE-GFCCVEGCSA-N 386.546 4.292 30 40 GIEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nccs3)c(=O)oc2c1C 6760314 OUHXVLQNOHGSIQ-UHFFFAOYSA-N 384.457 4.002 30 40 GIEB CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 6785560 ONFHBDCYPCBUHB-LPHOPBHVSA-N 397.496 4.068 30 40 GIEB Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916419 IMHWUDTYEQIITA-NLUIFBAQSA-N 380.532 4.306 30 40 GIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224901557 IFCAYJMCQQUIHX-UHFFFAOYSA-N 399.299 4.333 30 40 GIEB N#Cc1c(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)sc2c1CCC2 814892 XNRWMRHPSWXMEG-CQSZACIVSA-N 389.839 4.033 30 40 GIEB C=CCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2339207 MFEOVHPDTRWBBR-UHFFFAOYSA-N 392.846 4.211 30 40 GIEB Cc1nc(SCC(=O)N(C)CCC#N)c2c(-c3cccs3)csc2n1 3391165 OEKRFCFVMVZJRF-UHFFFAOYSA-N 388.543 4.192 30 40 GIEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc3[nH]c(C)c(C)c3c1)NCC2 4085224 VXKGRWOLZRLCOP-NDENLUEZSA-N 376.456 4.171 30 40 GIEB biogenic Cc1cc(SCC(=O)N2CCCC[C@H]2C)n2c(nc3ccccc32)c1C#N 4269549 DVSPNRCYKDOCLL-OAHLLOKOSA-N 378.501 4.161 30 40 GIEB COc1ccc(OC)c(N/C(S)=N/C(=O)c2cccc(Br)c2)c1 5550086 WZTDWSPHSABTTC-UHFFFAOYSA-N 395.278 4.004 30 40 GIEB COCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccc(C)c1 6606964 OHYRPHRVPHQPJN-HXUWFJFHSA-N 392.528 4.435 30 40 GIEB CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 12650562 VVQQAMFBARERKL-YDZHTSKRSA-N 396.516 4.496 30 40 GIEB CCCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1 14165087 COPQTCIDZQGUNT-XIKOKIGWSA-N 384.505 4.057 30 40 GIEB CCc1ccc(NC(=O)C[n+]2c3n(c4c(F)c(F)ccc42)CCCCC3)cc1 15953128 NTNBNCDWIJAULG-UHFFFAOYSA-O 384.450 4.135 30 40 GIEB Cc1nnc(C)n1/N=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 19330681 MZWSBHKONPBNJG-ZMOGYAJESA-N 396.454 4.435 30 40 GIEB Cc1ccc(Cn2cc(Br)c(NC(=O)c3cccc(C#N)c3)n2)cc1 27917173 LBZCYDDOTYJNDZ-UHFFFAOYSA-N 395.260 4.126 30 40 GIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(F)cc1 408751829 CLCQRIVCAXYCJC-VGOFMYFVSA-N 377.784 4.279 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409317354 PWOMWWOEICKKMR-UHFFFAOYSA-N 376.279 4.055 30 40 GIEB CCN(CC)c1ccc(/C=N/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1 2170169 DCNINSVDHJVQPU-DFEHQXHXSA-N 382.508 4.243 30 40 GIEB N#Cc1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCCCC2 2316629 ZWYLIVKWKVFGQR-UHFFFAOYSA-N 389.571 4.396 30 40 GIEB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 2617200 CIGIQMDFYLGAAZ-ZDUSSCGKSA-N 382.485 4.157 30 40 GIEB C[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccc(C#N)cc1 3344181 UAOXSFPNIFNWGC-JTQLQIEISA-N 379.641 4.380 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1 4286021 XQBQXCLXHXCXSO-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(N(C)C)cc1 4821544 ZRBZZVANWIFELQ-JTHBVZDNSA-N 377.484 4.380 30 40 GIEB N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36446962 SRRQKDVVKZMCFO-FQEVSTJZSA-N 379.510 4.267 30 40 GIEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)cs1 89977089 OPQUYTFGWUEBSV-SNAWJCMRSA-N 384.288 4.301 30 40 GIEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC(C)C 96193674 DVMXQRJHCXRMFB-MLPAPPSSSA-N 382.254 4.199 30 40 GIEB CC(C)c1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)cc1 409194248 IRSHJWUEYHOZMQ-RAXLEYEMSA-N 385.423 4.096 30 40 GIEB N#CCOc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409306132 PJDJTMXYENRQBP-UHFFFAOYSA-N 386.455 4.229 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CSCC#N)c2C(=O)c2ccccc2)C1 512318166 LIVOUUKYLCLJPO-CYBMUJFWSA-N 384.526 4.299 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 524729321 OGFJXRVPMQRGDU-AWEZNQCLSA-N 380.396 4.319 30 40 GIEB biogenic C=C1OC(=O)C=C(OC)[C@]12[C@@H](CCC)Cc1oc(=O)cc(OC)c1[C@H]2CCC 1772591633 IWWMEIAQPIOWDB-KIMHZCHSSA-N 388.460 4.092 30 40 GIEB COc1cccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)c1 673554 ZAVZGBZOBYWJLH-JOCHJYFZSA-N 384.435 4.343 30 40 GIEB COc1ccc2oc(=O)c(/C(O)=N/CCc3c(C)[nH]c4c(C)cccc34)cc2c1 1075022 RBSLTIPTGDTRFM-UHFFFAOYSA-N 390.439 4.447 30 40 GIEB C=CCn1c(=O)c2ccccc2n2c(SCc3cccc(Cl)c3)nnc12 4500337 WBWVXTPQYDISKW-UHFFFAOYSA-N 382.876 4.176 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)O)[C@H]2c1cccs1 4741369 NNKXSBRDPWZYRA-FQEVSTJZSA-N 382.485 4.449 30 40 GIEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nn32)cc1 5443077 ZAZAASIRZAEPPA-QGZVFWFLSA-N 384.505 4.057 30 40 GIEB CCSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 6677840 WIWAZQPWBVYDOO-SFHVURJKSA-N 397.548 4.114 30 40 GIEB COc1ccc(/C=C2/SC(N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)=NC2=O)cc1 8681106 HFZAWWOBQBBLGO-JNNOVKFHSA-N 383.517 4.457 30 40 GIEB CC(C)c1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 13770260 KLRDXVDEFNLZBY-UHFFFAOYSA-O 378.471 4.290 30 40 GIEB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 28234070 NACUKGCGQWGTOA-JTQLQIEISA-N 396.438 4.297 30 40 GIEB Cc1cc2cc(C#N)c(SCC(=O)N3CCc4ccccc4C3)nc2cc1C 35313070 FMTJUEUFEBLLDZ-UHFFFAOYSA-N 387.508 4.400 30 40 GIEB Cc1ccc(C)c2sc(OC3CCN(C(=O)c4cccc(C#N)c4)CC3)nc12 49435389 VIHZXDQJXHNOLV-UHFFFAOYSA-N 391.496 4.468 30 40 GIEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1CCCC 100842630 GDULOQHOVUWZNE-UAFUQJIBSA-N 375.538 4.224 30 40 GIEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102857048 OSEJIHKSNQBYPV-LFVOPCPISA-N 390.826 4.361 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409102519 YIXUPCWISPNGAE-LDADJPATSA-N 396.424 4.396 30 40 GIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc2c(cc1Cl)OCO2 409107062 QAMDZCSZNZRHCF-CGOBSMCZSA-N 387.701 4.442 30 40 GIEB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccccc3C#N)ccn2n1 1565520141 GAGPOTBCUBGPCJ-UHFFFAOYSA-N 398.466 4.262 30 40 GIEB N#Cc1ccnc(OC[C@H]2CCCN(Cc3csc(-c4ccccc4)n3)C2)c1 1775971935 ZEUCWYLRUGAXBJ-SFHVURJKSA-N 390.512 4.368 30 40 GIEB COc1ccc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)cc1 1409400 AXKBEUSDXRVRGW-DHDCSXOGSA-N 389.274 4.349 30 40 GIEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4175452 BKCFTCBDOSQMIE-LFVJCYFKSA-N 376.441 4.441 30 40 GIEB CC(C)c1ccc(/C=N/N=C2\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 4199544 FFTYLKGHFSAZKL-YOASITJSSA-N 394.456 4.312 30 40 GIEB Cc1ccc(/N=C2\S/C(=C\c3cccc(OCC(=O)O)c3)C(=O)N2C)cc1C 4680425 AAWISVHBBZUSAK-ZSMCLDEPSA-N 396.468 4.001 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccncc2)cc1 5490535 FZXZTJRJSFOOCG-QFIPXVFZSA-N 398.462 4.211 30 40 GIEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(N2CCOCC2)cc1 5530072 AOSVQKGYMXKQGE-SRZZPIQSSA-N 389.839 4.158 30 40 GIEB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 6657198 VPBYUYOSMCCFGB-LBPRGKRZSA-N 399.541 4.270 30 40 GIEB C[C@@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(Cl)cc1Cl 8489994 OSQWOVQYFATONH-LLVKDONJSA-N 376.243 4.337 30 40 GIEB Oc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1 12767081 NPINYOGHLHAZDR-IFRROFPPSA-N 389.786 4.091 30 40 GIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(O)c(Br)c1 15016023 ILHYXWYVAKIIMK-ZSOIEALJSA-N 393.237 4.185 30 40 GIEB O=C1C(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)=CO[C@H]2C=CC=C[C@H]12 17081788 KRHIIDNTJUAOIM-DSONHEPKSA-N 399.855 4.013 30 40 GIEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C(C)C)N(C(C)C)C1=O 17085141 MKLAATYBHYUKQH-ZJYNUGOYSA-N 381.929 4.094 30 40 GIEB CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c(O)c1 19791046 JLSVESCSMSAXAB-KOEQRZSOSA-N 394.563 4.007 30 40 GIEB N#C/C(=N\Nc1ccccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 44827482 KMUYXGBUACNXRP-PCLIKHOPSA-N 390.399 4.395 30 40 GIEB CCCCCCCOc1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 98044692 XWVLELKPTHTTIS-HXUWFJFHSA-N 377.492 4.482 30 40 GIEB CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)S/C1=N\c1c(C)n[nH]c1C 100529882 ZEYGFVKZKBUEFM-LJSPAGPLSA-N 377.539 4.099 30 40 GIEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cnc3ccccc32)nc1 154807966 JAONQLXGOBDNEI-UHFFFAOYSA-N 393.450 4.121 30 40 GIEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 219819573 KGJKETYDEWAAFX-UHFFFAOYSA-N 395.484 4.296 30 40 GIEB C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224368139 PAQBTASHZUHXFP-UHFFFAOYSA-N 398.528 4.130 30 40 GIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 754600 JMKJZHKMDUEINT-TZRRMPRUSA-N 377.484 4.394 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(Cl)cc1 2487242 DYGWHQFLEPNVJX-HOCLYGCPSA-N 390.892 4.108 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(/N=C3\NCCCS3)cc2)cc1OC 4880797 LPEUDECWYKGQSK-ONNFQVAWSA-N 382.485 4.314 30 40 GIEB CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 6608961 LPZCIABZUNQPNJ-GOSISDBHSA-N 391.496 4.335 30 40 GIEB CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 8235352 ZLZGPJRZRPMRHY-GOSISDBHSA-N 397.500 4.051 30 40 GIEB C=CCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 19569286 YROGUBLSQMKOHO-UHFFFAOYSA-N 376.500 4.320 30 40 GIEB Cc1ccccc1N/C(S)=N/[C@H](C)[C@@H](c1ccccc1)N1CCN(C)CC1 22928329 UIIRGULKCJQLCM-NQIIRXRSSA-N 382.577 4.070 30 40 GIEB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(C#N)cc1 40135585 ADIKWJPWIOETMP-UHFFFAOYSA-N 377.423 4.184 30 40 GIEB N/C(=N/OCc1c(Cl)cccc1Cl)c1cccnc1N1CCCCC1 64430333 BDQXHRBTTITLHE-UHFFFAOYSA-N 379.291 4.216 30 40 GIEB CCCCOB(OCCCC)c1cccc(B(OCCCC)OCCCC)c1 195763410 MYKBPIMMYBFEJM-UHFFFAOYSA-N 390.182 4.344 30 40 GIEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1Cl 408786124 MQHMVHOWKWRGNO-CIAFOILYSA-N 388.876 4.471 30 40 GIEB N#Cc1ccccc1COc1cccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c1 589938234 KLCVFMBESVNMAX-AZUAARDMSA-N 390.405 4.073 30 40 GIEB CC[C@H](C)c1ccccc1OCCn1cc(/C=N/NC(N)=S)c2ccccc21 4083360 KQKVUXQWQTYIPS-GCMSVZMUSA-N 394.544 4.401 30 40 GIEB CCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1OC 4342105 ARJNGQIHGPQNEL-WSDLNYQXSA-N 382.489 4.168 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 6001919 ZHEMLQJZRVXGTE-HNNXBMFYSA-N 399.491 4.222 30 40 GIEB CCOC(=O)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OCC 6554178 GQLSVJGCPZXSFO-CIAFOILYSA-N 399.472 4.083 30 40 GIEB COc1ccc(CNc2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)cc1 8474760 CRECUMDAHVYNKB-YRNVUSSQSA-N 391.427 4.355 30 40 GIEB COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3OC(C)C)S2)cc1 18094254 AZDVBHBFTQHQMN-LDADJPATSA-N 396.468 4.152 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(Cl)cc1 19959765 RHUSPIPCFNTWJU-RTHLEPHNSA-N 382.773 4.218 30 40 GIEB C=CCn1c(S[C@@H](CC)C(=O)Nc2ccccc2F)nnc1-c1ccncc1 20173342 JGJMPPLGAKXABW-KRWDZBQOSA-N 397.479 4.175 30 40 GIEB C=CCn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1 22710705 ORQFWHBHZYOAOI-UHFFFAOYSA-N 382.514 4.346 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 97105057 GJKCJWOZQABLBW-NZQKXSOJSA-N 394.467 4.332 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccs2)sc1C 102799861 KFZWSPWPPPRAHK-IBOXJLQUSA-N 396.493 4.448 30 40 GIEB Cc1c(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)sc2nc(C(F)(F)F)ccc12 103608427 GFGGZIAONOSJIH-GFCCVEGCSA-N 395.406 4.005 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 106698128 RSINJOGLKWAPMV-UNOMPAQXSA-N 397.427 4.083 30 40 GIEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2OCC)n1C 408560219 FERDATFMFIPEQT-UHFFFAOYSA-N 390.553 4.458 30 40 GIEB N#Cc1ccccc1CO/N=C/c1cc(Br)c(Br)o1 408594031 DMAGYQNBDBEZHB-REZTVBANSA-N 384.027 4.227 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccccc3F)o2)cc1C 408875577 KESBPEKAXKDOQU-WYMPLXKRSA-N 393.418 4.041 30 40 GIEB COC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1 575243067 IZHOTUGMUQFNSI-UHFFFAOYSA-N 396.205 4.433 30 40 GIEB CN(C)N1C(=O)C[C@H](c2cccc(F)c2)C2=C1C[C@H](c1ccccc1)CC2=O 1432863 SJPMIDWHYOCAHE-PKOBYXMFSA-N 378.447 4.019 30 40 GIEB CCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 3018813 UNQHKCUXHVFJLV-LJQANCHMSA-N 395.484 4.156 30 40 GIEB O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2)cnn1Cc1ccc(F)cc1 4159177 SFWIOHBBNHONJB-LSFURLLWSA-N 391.233 4.184 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269338 CTALQJOBRCHHTJ-UHFFFAOYSA-N 398.249 4.327 30 40 GIEB CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)c(C)c2)S1 5546185 ZJXYZVBRSKPVKH-RXULLKCLSA-N 395.528 4.256 30 40 GIEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C)oc2C)cc1OC 7734681 JZPOVDBZXJWURF-LJQANCHMSA-N 399.487 4.291 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\Cc2ccccc2)[C@@H](O)Cc2ccccc2)cc1 13402486 QOKBYRYSSUNEBZ-OMSIWZRRSA-N 375.428 4.209 30 40 GIEB CCCC(=O)Nc1ccc(/N=C/c2ccc(I)o2)cc1 100384297 VKNBDLDMUKNTPL-LICLKQGHSA-N 382.201 4.373 30 40 GIEB CCCCOC(=O)C(=O)[C@@H](C[C@H](CC)C(=O)c1ccccc1)C(=O)C=C(C)C 102981918 DQZGZYQZVCPIBC-HKUYNNGSSA-N 386.488 4.350 30 40 GIEB N#C[C@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)C(=O)c1c[nH]c2cc(Cl)ccc12 104107109 LELOCRZOKWHBRP-HNAYVOBHSA-N 391.814 4.230 30 40 GIEB COCc1cc(C)nc(N/N=C\c2ccc(OCc3ccccc3)cc2)c1C#N 408731130 XRWCMLOWHBPRKN-QFEZKATASA-N 386.455 4.433 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3)c2C)cc1 408742404 OTCWZDDJGAVQPN-ZVHZXABRSA-N 390.439 4.418 30 40 GIEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409134207 NEECFQGHIWTQSN-RCCKNPSSSA-N 384.435 4.498 30 40 GIEB N#Cc1ccccc1COc1c(Br)cc(C=O)cc1Br 1095361 AJVVZQMSCUCCLF-UHFFFAOYSA-N 395.050 4.475 30 40 GIEB CN(C)c1ccc(/C=[N+](\[O-])[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 3667111 IJQPZUJJXOQMLE-OQLNFPPLSA-N 399.585 4.320 30 40 GIEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 4631027 GWLWQRRMIMIZSS-MTDBSEBISA-N 380.488 4.134 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)c1 12821358 BHOCAQKEQYYRGH-SFHVURJKSA-N 399.446 4.279 30 40 GIEB O=S(=O)(/N=C(\Nc1ccc(O)c(Cl)c1)c1ccccc1)c1ccccc1 15223343 OAAXBHCJIRQROV-UHFFFAOYSA-N 386.860 4.293 30 40 GIEB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 21685434 RBPCWRJAWUAEHU-AWEZNQCLSA-N 382.445 4.066 30 40 GIEB N#Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 49169739 AEXYEPNSNVRNKZ-SFHVURJKSA-N 383.455 4.003 30 40 GIEB biogenic,in-vitro COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1O 59105759 FUCVYIXXYGRECN-RIYZIHGNSA-N 378.812 4.085 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 100495276 FZFSQEQGENJAEG-OAQYLSRUSA-N 396.531 4.308 30 40 GIEB COc1ccc(N=C2NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)S2)cc1 408965240 JMVPVALWFQXZLM-XDHOZWIPSA-N 388.452 4.065 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409286872 RBLBRNRKODMKHC-LHQULTAUSA-N 382.261 4.269 30 40 GIEB COc1ccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1Cl 1505840578 WEVVJFQJENZNRK-BHGWPJFGSA-N 390.830 4.374 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 848855 OHFPJFDKCJZTDM-PMACEKPBSA-N 376.847 4.121 30 40 GIEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 4699893 PBIWTBKHSZSYLA-XAIYEJPOSA-N 391.855 4.069 30 40 GIEB C#CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OCC 4997985 UTMMYBNEWIFWJQ-SFQUDFHCSA-N 381.815 4.095 30 40 GIEB CC(C)Cc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 5260921 BLARBXRUGHWTJI-UHFFFAOYSA-N 378.472 4.265 30 40 GIEB N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 5710452 PVGNIQOSGVDGRH-UHFFFAOYSA-N 377.425 4.159 30 40 GIEB N#CCCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 12544547 XGNJCJUXHKSPOQ-UHFFFAOYSA-N 390.340 4.141 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684724 AKWUENBXKQGEFP-UHFFFAOYSA-N 386.451 4.434 30 40 GIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)c(OC)c1OC 13730288 AIBPUWWRNLHOSQ-QGZVFWFLSA-N 398.459 4.209 30 40 GIEB CC(=O)c1cccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 18098290 SGSVLUKXTLQAFT-YYDJUVGSSA-N 382.423 4.108 30 40 GIEB CN1CCc2c(C#N)c(SCc3ccccc3Cl)nc(N3CCCC3)c2C1 20649478 JXWBJNLEYYCWJT-UHFFFAOYSA-N 398.963 4.487 30 40 GIEB Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1ccccc1C#N 22474352 WCLSVPNNRCQRBM-UHFFFAOYSA-N 382.416 4.398 30 40 GIEB Cc1ccccc1N/C(S)=N/[C@@H](C)[C@@H](c1ccccc1)N1CCN(C)CC1 22928333 UIIRGULKCJQLCM-RXVVDRJESA-N 382.577 4.070 30 40 GIEB C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1 96002240 VITZSEBNURYKDX-NSHDSACASA-N 377.213 4.060 30 40 GIEB COc1ccc2c(c1)C[C@@H](C)N(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]2C 96005919 BPEGBDSBSODPTN-PLFKGVGGSA-N 376.456 4.145 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]5(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 118936558 DQUBYFKUBFHVEG-ACBHOVFOSA-N 387.520 4.479 30 40 GIEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416996 VHKGAEWNULMJMP-FQEVSTJZSA-N 384.907 4.368 30 40 GIEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952096 WHZZUWUBLUTIJC-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB CC1(C)OB(c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)OC1(C)C 2297736029 HMFNPNDVLONTQN-UHFFFAOYSA-N 394.198 4.463 30 40 GIEB C=C(C)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCCC3 2233470 JFCXFDBPMJPDOT-UHFFFAOYSA-N 386.904 4.322 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4502300 NECXWHVXNKMAKE-YJYMSZOUSA-N 380.835 4.249 30 40 GIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)S2)cc1C 4704681 FMYMPDJDGGURKI-BGARDKSCSA-N 396.468 4.047 30 40 GIEB CCCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O 4953053 SHIASKFIZDLYCS-VZZUUUIUSA-N 385.489 4.313 30 40 GIEB C(=N/Nc1nc2ccccc2[nH]1)\C(=N\Nc1nc2ccccc2[nH]1)c1ccccc1 6315681 MHFYKUOZKWEDSS-IWTYOLINSA-N 394.442 4.353 30 40 GIEB CC/N=C1\S[C@H](Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC 6348083 YFYOFBDCFIHQPS-HVSLCEISSA-N 386.492 4.287 30 40 GIEB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1sc2c(c1C#N)CCCCC2 7297325 SPFFAZGSLUNAOO-GFCCVEGCSA-N 397.529 4.051 30 40 GIEB C/C(=C\C(=O)c1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 13148191 QSGOLTKVVIVSBG-FDPSAONLSA-N 390.936 4.151 30 40 GIEB CN1/C(=C\C(=O)Cn2cnc3c(oc4ccccc43)c2=O)C(C)(C)c2ccccc21 32741862 VMBRYHYLLAMOHQ-NDENLUEZSA-N 399.450 4.023 30 40 GIEB Cc1ccccc1C(=O)Nc1ccn2c(c1)c(C#N)c1nc3ccccc3nc12 2341367 JWJZMALHUYNAQY-UHFFFAOYSA-N 377.407 4.468 30 40 GIEB Cn1c(-c2ccccc2)c(/C=N/N2C(=O)c3ccccc3C2=O)c2ccccc21 2646197 FJHNPYFAYCIDKS-MFKUBSTISA-N 379.419 4.475 30 40 GIEB C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(Br)c2)C1=O 4695939 LUXWXFYVJWLKML-XFFZJAGNSA-N 388.670 4.333 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4699905 WYWANINOOPAZLQ-BWORXHKJSA-N 387.892 4.320 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1C 4919855 MFMYOKFTJOOHBO-XXBNENTESA-N 394.467 4.332 30 40 GIEB C=CCSc1nnc(NC(=O)c2nc(SC(C)C)ncc2Cl)s1 6748107 NWLRNJZPFQSIBZ-UHFFFAOYSA-N 387.943 4.012 30 40 GIEB N#Cc1cccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 8192175 JQHKTKCJPQFDHN-QGZVFWFLSA-N 392.509 4.471 30 40 GIEB COc1ccc(C)cc1C(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12 12932632 WWXOIFZKRIQXFH-AATRIKPKSA-N 375.350 4.270 30 40 GIEB O=c1[nH]c(N/N=C/c2ccncc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 13570814 NHMLELRPKXQRBB-MFKUBSTISA-N 385.471 4.036 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(OC(F)(F)F)cc1 18200267 MWHRHSFNMAGJLV-ZDUSSCGKSA-N 393.365 4.215 30 40 GIEB C/C(=N\OCC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2n1C(F)F 22322421 AHXPFOHLDKQLAK-KIBLKLHPSA-N 394.328 4.089 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)CNc3ccc(F)c(F)c3F)c2C#N)C1 22907417 JYQUYIGKMUQLCC-SECBINFHSA-N 379.407 4.212 30 40 GIEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 35043472 YXHNNXJUHGROPO-CPNJWEJPSA-N 393.468 4.292 30 40 GIEB CCOc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1O 57826258 IVOGVVMJUSGLBZ-GHXNOFRVSA-N 375.218 4.212 30 40 GIEB N#Cc1cccc(NC(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)c1 58441217 VLNUAPHIHIUWSI-UHFFFAOYSA-N 390.439 4.244 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224995805 LDCINCFZZHIZOA-UHFFFAOYSA-N 398.893 4.351 30 40 GIEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N(CC)CC 408560131 BKBWKSWZHALMDQ-UHFFFAOYSA-N 394.544 4.169 30 40 GIEB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]12 408728407 LPLPLDUEOPRMFY-QQNJPBSNSA-N 390.442 4.129 30 40 GIEB CCOc1cc(-c2ccc(OCC#N)c(OC)c2)cc(=O)c2c(C)oc(C)c12 1833039 OUTDGQLXKXTXOK-UHFFFAOYSA-N 379.412 4.387 30 40 GIEB biogenic CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 2334695 SKIICEXDXCHFEE-HTIXJGPSSA-N 381.501 4.248 30 40 GIEB Cc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c(C#N)cc2c1 4993963 PRJZBKCKTMZSBD-UHFFFAOYSA-N 378.413 4.054 30 40 GIEB Cc1ccccc1S(=O)(=O)/N=C(/NCc1ccc(F)cc1)c1ccccc1 5018349 JGACODNPPGVORG-UHFFFAOYSA-N 382.460 4.059 30 40 GIEB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 5179936 LJHOEPJWIQAPBY-ZDUSSCGKSA-N 377.473 4.025 30 40 GIEB COc1ccc2oc(=O)c(-c3cnc(N/N=C/c4ccccc4O)s3)cc2c1 6647252 XFGWNFVKCDHDGA-LSHDLFTRSA-N 393.424 4.077 30 40 GIEB N#Cc1c(NC(=O)COCc2cc(-c3cccs3)on2)sc2c1CCCC2 6876543 QJTQTSISICYBAI-UHFFFAOYSA-N 399.497 4.370 30 40 GIEB O=C1c2ccccc2-c2cc(Br)c(/N=C(\NO)C(F)(F)F)cc21 17421943 AOKUPYBNMLINJL-UHFFFAOYSA-N 385.139 4.232 30 40 GIEB CCCOc1c(Cl)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196432 LQHRBXPDBOUCIO-YDZHTSKRSA-N 392.883 4.278 30 40 GIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccccc21 20721924 GBOGVVWHRBJTNW-XMMPIXPASA-N 398.466 4.300 30 40 GIEB Ic1ccc(/C=N/N=C2/C[C@H](c3ccccc3)N=N2)o1 104854283 UZXPSAYUOVUZJR-RGIFZJQGSA-N 378.173 4.214 30 40 GIEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790180 VFEKVROZCOENSV-UHFFFAOYSA-N 390.461 4.072 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c3c(c2)OCOC3)cc1 4061268 CLSNRRDALGIFIV-FARCUNLSSA-N 375.218 4.220 30 40 GIEB biogenic CCCCn1c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 6620839 IRADSDZCZPGCOC-XDHOZWIPSA-N 382.380 4.099 30 40 GIEB COc1ccccc1/N=C1\NN=C(c2cc(C)n(C[C@H]3CCCO3)c2C)CS1 7849589 BYQZGOAVEZVBMT-MRXNPFEDSA-N 398.532 4.021 30 40 GIEB Cc1nc2cc(NC(=O)COc3ccccc3C#N)ccc2n1-c1ccccc1 12546478 SXXPISMQCVRFET-UHFFFAOYSA-N 382.423 4.223 30 40 GIEB O=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(I)cc1 13902780 WXYFKOZWUWVKNR-UHFFFAOYSA-N 382.588 4.018 30 40 GIEB C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 16125492 KWHZNOPFOIDNIN-IRXDYDNUSA-N 388.307 4.366 30 40 GIEB CC(=O)Oc1ccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3O)c2C)cc1 36144994 HTEADTJBUMRMSF-WSDLNYQXSA-N 393.399 4.384 30 40 GIEB CCCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC 95951244 QIJIXAJOACZAFM-UDWIEESQSA-N 382.412 4.277 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 100455357 ZTOJOYVGVCUNKQ-JBCNATCCSA-N 393.483 4.268 30 40 GIEB O=C1C2=C(C(=O)c3ccccc31)[C@H](c1cccs1)c1sc(=O)[nH]c1S2 101262431 LJRFVQFINVMGEF-NSHDSACASA-N 383.475 4.069 30 40 GIEB CCCCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 102561840 YPXRWBMRFRLQBQ-UHFFFAOYSA-N 378.557 4.439 30 40 GIEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1OC 218660703 RTWXHWDZSWGPSV-UHFFFAOYSA-N 397.862 4.399 30 40 GIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 225761699 SQRIUCWDTLLDPW-UHFFFAOYSA-N 380.419 4.463 30 40 GIEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 408731758 PPOIHPXJUWJGAE-NRFANRHFSA-N 399.406 4.243 30 40 GIEB Cc1ccc(-n2c(C)cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 408893344 FCEFERHTPIJFPI-HYARGMPZSA-N 381.501 4.023 30 40 GIEB CCOc1ccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1 2268701 IVCPKGJEDMRSKA-UHFFFAOYSA-N 389.459 4.022 30 40 GIEB N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccccc3F)s2)cc1 3351823 VMLXWRBJUMQOLL-UHFFFAOYSA-N 384.461 4.022 30 40 GIEB C[C@H]1CSC(N(C(=O)COc2ccccc2C#N)c2ccc(Cl)cc2)=N1 3405503 ZRNMIJCUNFHJQT-ZDUSSCGKSA-N 385.876 4.115 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 4944140 QRTPWBOHSLWBNV-LRTDBIEQSA-N 391.446 4.073 30 40 GIEB Cc1cc(NC(=O)c2ccc(C#N)cc2F)cc(C)c1I 8071815 FLWYRYXASNHRRS-UHFFFAOYSA-N 394.187 4.171 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 8671382 WTXYTRDODISRJZ-FCVXWEMSSA-N 381.501 4.329 30 40 GIEB C=C(C)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c1=O 12324239 ZJJHGXZHUJSDHD-UHFFFAOYSA-N 381.476 4.164 30 40 GIEB C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 12324856 GTUIFAQYBGOHOY-UHFFFAOYSA-N 378.428 4.023 30 40 GIEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccs2)cc1 12408749 QYPXXAOEEYUZGU-SGTLLEGYSA-N 394.456 4.119 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1 12749653 YTHRZLLSYFNCAK-UHFFFAOYSA-N 394.450 4.062 30 40 GIEB CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O 13655424 TWFPIHSRBFDFTC-JAIQZWGSSA-N 382.412 4.032 30 40 GIEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 17209132 UGDQZNYQLDQNSJ-QGZVFWFLSA-N 391.491 4.240 30 40 GIEB Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccncc1)O2 20573545 DYWVGPQRVOCJAT-BKUYFWCQSA-N 386.451 4.344 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cnc4ccccc4c3)ccc2c1=O 32902907 VZEBQGSNFYVELT-UHFFFAOYSA-N 388.452 4.046 30 40 GIEB CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 40151528 YYBHHLQWHTVTCP-UHFFFAOYSA-N 376.481 4.358 30 40 GIEB CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2374685 NEFJMCURUIQCFW-SFHVURJKSA-N 394.519 4.453 30 40 GIEB Cc1ccc(-c2nc(SCCCOc3ccccc3)[nH]c(=O)c2C#N)cc1 5238275 QDZAHTPQQVILNQ-UHFFFAOYSA-N 377.469 4.178 30 40 GIEB Cc1c(/N=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 5378083 ZGWUJBDMNZKSDX-WWHPCQJGSA-N 396.834 4.375 30 40 GIEB C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 18192560 WQMKGWAUSIFXOF-MEGCXXLRSA-N 376.372 4.179 30 40 GIEB COc1ccc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)cc1Cl 32624735 VZPKGHDKMXSMRS-UHFFFAOYSA-N 396.834 4.316 30 40 GIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@H]1C)N(C)CC3)OCO2 33924778 FKYITSOBJSHMDA-TXGMUJQVSA-N 397.515 4.461 30 40 GIEB CN(C)C1(CNc2oc(-c3ccc(Br)o3)nc2C#N)CCCCC1 35673311 XMUPLWQRZQVBOW-UHFFFAOYSA-N 393.285 4.245 30 40 GIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1[C@@H](C)CCC[C@@H]1C 36507521 JFNMGPBKLXHVGL-XVCXAGHRSA-N 382.302 4.001 30 40 GIEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(C(C)C)cc1)=C2 79193734 XUWKDBNNUCKYQY-UHFFFAOYSA-N 379.456 4.259 30 40 GIEB biogenic C[C@H](OC(=O)Cc1ccccc1CC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C 95997413 JWDROUBAQCBSMH-QFBILLFUSA-N 386.492 4.016 30 40 GIEB CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cc(C(C)C)cc(Br)c1O2 100489985 HSHOIRUJWDCQDM-KRWDZBQOSA-N 380.238 4.366 30 40 GIEB CCCCCCCCCCCC(=O)[C@H]1C(=O)CC[C@@](Cl)(C(=O)OC)C1=O 100705362 RWCAQFKEUFLKTP-PXNSSMCTSA-N 386.916 4.175 30 40 GIEB Cc1c(Cl)ccc2c1NC(=O)/C2=C1\S/C(=N\c2ccc(F)cc2)NC1=O 100792671 KLTZVGRKQBJLBK-SQFISAMPSA-N 387.823 4.001 30 40 GIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)C#N 104815662 NGELDEVXXJTSEB-RTBURBONSA-N 396.372 4.491 30 40 GIEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1N1CCOCC1 105804147 DYAZXHKSYDFHRI-JHRGVAJVSA-N 399.903 4.191 30 40 GIEB Cc1ccc(OCc2nc(SCc3ccccc3C)nc(N)c2C#N)cc1 223687497 QMWBAKQMSSCIPV-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 408749520 HIVSOMJTSCXDNX-UUYOSTAYSA-N 378.388 4.023 30 40 GIEB N#Cc1nc(NC(=O)c2csc(C3CCCCC3)n2)ccc1Br 1130039727 OPTVOUIOCARBJN-UHFFFAOYSA-N 391.294 4.472 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1 4286059 JNXHBYNVPGIBJH-JFIYKMOQSA-N 384.549 4.164 30 40 GIEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)cc1 4678122 YPWYMIOXGZKFKT-LPYMAVHISA-N 387.399 4.496 30 40 GIEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2)S1 7126856 YBVZYBTZYNYQAI-KRWDZBQOSA-N 381.501 4.059 30 40 GIEB CCCCCC[C@H](C)/N=C(/S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8687980 WYWHJMYLFXZABE-HNNXBMFYSA-N 385.599 4.302 30 40 GIEB Cc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)n(-c2cccnc2)c1C 9060794 ZVDNHVOCTJWUBF-UHFFFAOYSA-N 380.835 4.032 30 40 GIEB N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc4ccccc34)CC2)cc1 11006769 PPKJUQHRJVOITP-UHFFFAOYSA-N 384.483 4.451 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccnc3ccccc13)n1ncnc1N2 18200911 CKMKNQFZVCPGIX-ZSEKCTLFSA-N 399.479 4.304 30 40 GIEB C[C@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2NC1=O 40089599 OBQKBUDHOCUBEY-PWSUYJOCSA-N 379.466 4.219 30 40 GIEB OC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97949819 ATYZUVRSTXBJLR-UPHRSURJSA-N 376.112 4.274 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 102861720 ZMUQQFATPSDFGY-YDJIHCHBSA-N 391.398 4.349 30 40 GIEB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCOCC2)c1 225772396 QEAGBOSIDVVUDT-UHFFFAOYSA-N 378.472 4.341 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)S2)cc1 408960193 DIDVLPZBIJCVDJ-CPNJWEJPSA-N 375.453 4.383 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc1 528955905 RZLBLCPJACSFCE-OYHNWAKOSA-N 393.443 4.048 30 40 GIEB O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(/C=C/C(=O)c3ccccc3)c1)C2=O 4600527 IAVDZGJTKSUAHI-FMIVXFBMSA-N 397.386 4.082 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 5478742 KBKSNLYRIOYQPX-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB N#Cc1cccc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 5504899 BPCGKQOOHHABPL-UHFFFAOYSA-N 386.794 4.239 30 40 GIEB COC(=O)c1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 5798267 XNISWUZRAVUTNA-SIKLNZKXSA-N 386.407 4.341 30 40 GIEB C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6085121 SQYQSHYTQNINKK-UHFFFAOYSA-N 390.424 4.423 30 40 GIEB Cc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)n(-c2ccccn2)c1C 9344521 WSFISYKXHORAHZ-UHFFFAOYSA-N 380.835 4.032 30 40 GIEB C=C(C)C(=O)OC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 201965695 RKVTYVMUBOUFTE-LURJTMIESA-N 384.141 4.141 30 40 GIEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(Br)cc1 224738502 UTEZNNBQWTWRHZ-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2 225682130 KNDFHPUGUCTKRH-GOSISDBHSA-N 381.501 4.350 30 40 GIEB COc1ccc2ccc(OC)c(/C=N/c3ccc(N4CCOCC4)cc3)c2c1 408931913 RZLDIRYRQQEQNR-LFVJCYFKSA-N 376.456 4.444 30 40 GIEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 408965892 JLSWOGKCTYOBRQ-QRVIBDJDSA-N 381.501 4.109 30 40 GIEB O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 409038688 APZGAZLPRDXGTF-HYARGMPZSA-N 375.384 4.363 30 40 GIEB C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@](C)(CC)OC2 870834 OVAHYNXVYRYJSP-SFHVURJKSA-N 382.551 4.029 30 40 GIEB CCOC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)cc1 988609 LCTWJAVPILLHCT-HXUWFJFHSA-N 389.451 4.169 30 40 GIEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1628386 ZPTTUFVORSZZFO-ZTHGNWFUSA-N 390.495 4.357 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1C 2432797 RYIRHRHHINNXAB-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1sccc1C#N 6605667 SLYLHAYAHPLXTI-HXUWFJFHSA-N 391.496 4.095 30 40 GIEB CCCO/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 18068642 WMOJWDXYYXNDCL-VLGSPTGOSA-N 382.279 4.011 30 40 GIEB N#Cc1c(SCC(=O)Nc2ccccc2)nc(N2CCCC2)c2c1CCCC2 20573295 NDKFDRRXHFGHAM-UHFFFAOYSA-N 392.528 4.163 30 40 GIEB CCOc1ccc(/C=N/O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 21701428 IYUWBBGDDKWFCE-YSRPOPIVSA-N 394.515 4.306 30 40 GIEB CCc1cccc2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)c(C#N)cnc12 32932692 DHNNUAOOHGGWGX-UHFFFAOYSA-N 395.510 4.253 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 35464050 OLDFOHABNQZMKB-RSAYUGRASA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)c(C(=O)O)c1 409085561 DJSALXGNABDUGS-UUYOSTAYSA-N 388.851 4.406 30 40 GIEB CC(C)C(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4032053 RIECVISGVCOPBP-AWEZNQCLSA-N 394.755 4.379 30 40 GIEB COCCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 4688382 OULGCKWDCVQUPU-DJOYVXLESA-N 391.496 4.429 30 40 GIEB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@H]1c1ccc(C#N)cc1 12515262 STTMPRNTCOUHAS-FQEVSTJZSA-N 391.496 4.058 30 40 GIEB COc1cc2c(c(OC)c1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 18200484 SLLZVCKPFGWBJV-OAQYLSRUSA-N 378.472 4.334 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611440 JZUQCXXISKLHHU-DJKKODMXSA-N 376.869 4.145 30 40 GIEB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(F)c2C#N)CC1 69780592 FKLPXGUZLBKEGZ-HXUWFJFHSA-N 386.515 4.276 30 40 GIEB COc1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@H]2CCCc3ccccc32)c1 97002734 KXCYAMLUGJYFNU-HNNXBMFYSA-N 379.865 4.114 30 40 GIEB N#Cc1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 4676193 DMOATBXTZNZXHL-UHFFFAOYSA-N 385.217 4.083 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1 4736620 OZKALOWGNDEIQT-HTAPYJJXSA-N 386.455 4.011 30 40 GIEB N#Cc1ccc(NC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cc1 5000941 YIBKPUSXLJWVAX-UHFFFAOYSA-N 398.422 4.128 30 40 GIEB CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)/C=C/c2ccc(OC)cc2)=C1C 6604178 DHFIWBXXWMQOFD-OWSFEGEDSA-N 376.456 4.338 30 40 GIEB C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7297850 AIXLCBPXGWMOPX-JTQLQIEISA-N 388.518 4.268 30 40 GIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(=O)O)cc3)c12 8229811 IWSJNVJPAQGPNP-JLHYYAGUSA-N 385.423 4.378 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1 9329962 QLPLQVODHUDVEW-OPAMFIHVSA-N 386.455 4.011 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc([N+](=O)[O-])cc2)cc1 16310608 RKXYCCSNGOPIRU-STZFKDTASA-N 395.440 4.455 30 40 GIEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 68590580 ATLJNLYIJOCWJE-DSAMPTFSSA-N 384.516 4.258 30 40 GIEB biogenic COc1ccc(OC)c(C(=O)/C=C/c2cc(Br)ccc2OC)c1 165753800 FDKJXYSAHUWIFD-QPJJXVBHSA-N 377.234 4.371 30 40 GIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225113553 LREVCLALDNLPCT-UHFFFAOYSA-N 389.370 4.234 30 40 GIEB COc1ccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408855661 FWYZXMJGZJIUCT-FMCGGJTJSA-N 392.411 4.250 30 40 GIEB Brc1cc(/C=N/c2ccccc2)oc1I 408951011 HGZALYHJDLGZHY-VGOFMYFVSA-N 375.991 4.397 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 409089427 NPQWUENSERHBFI-FSJBWODESA-N 396.378 4.163 30 40 GIEB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1C#N 610260972 AUMNFHFRYGJKHZ-UHFFFAOYSA-N 389.691 4.339 30 40 GIEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(Cl)cc2)cc1 2206092 BGRCECIZYYXUSQ-CSMPYOBQSA-N 387.892 4.203 30 40 GIEB CCOC(=O)/C(=N/[C@@H](C)c1ccccc1)NNc1cccc(C(F)(F)F)c1 3185053 IQDRLAKLXQUKLJ-ZDUSSCGKSA-N 379.382 4.345 30 40 GIEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1Cl 6054225 OXAZPSKTONAKBR-HRGDMGKESA-N 383.904 4.403 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 6456605 IMNRGZUBQDOXSC-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cn1 6525863 BDYWLFLGYFNMAY-SUAWAIPLSA-N 376.504 4.457 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(Cc2ccc(F)cc2)c1C 8487072 NKGULCLJQIWDRS-UHFFFAOYSA-N 394.475 4.290 30 40 GIEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(Br)cc2F)c1 51318570 CUKSHCUPUQBNGA-BQYQJAHWSA-N 380.213 4.414 30 40 GIEB N=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)[C@@H]1c1nccs1 108922674 MPIVTHIJCGLKFG-JHLMFHBZSA-N 381.276 4.029 30 40 GIEB COCc1ccc(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1C#N 1616042996 YZICTHAXLCDHKX-OAHLLOKOSA-N 385.414 4.394 30 40 GIEB CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265181 VBTZTTLEKGCDSV-NVXWUHKLSA-N 380.492 4.063 30 40 GIEB COc1ccc(NC(=O)C[n+]2c(C)sc3ccc4ccccc4c32)cc1OC 3338933 UCGDOEZUJDUZJA-UHFFFAOYSA-O 393.488 4.306 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4061029 MQXLSSHNODEDQZ-IFMALSPDSA-N 381.447 4.211 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 4903706 BCOVJYVGRXAORU-PEHOWQFQSA-N 394.544 4.387 30 40 GIEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 4996908 FGXGZBCTNSUZJU-BWORXHKJSA-N 387.892 4.320 30 40 GIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 5787708 RYMPGGJRTMHOQD-MRXNPFEDSA-N 392.789 4.452 30 40 GIEB CC#CCCNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 95997056 RFPSSQRRJFJAGJ-UHFFFAOYSA-N 398.557 4.077 30 40 GIEB CCCC/N=C1/S[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1CCCC 101520581 NUHUKBJUECUGAG-QQMHEVNUSA-N 379.501 4.055 30 40 GIEB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(/C=N\O)n(-c2ccccc2)c1C 104181223 ZNYRDINTZMPDNV-XKZIYDEJSA-N 393.399 4.346 30 40 GIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408854272 BHYUPWQFGOIXCG-YVLHZVERSA-N 399.859 4.143 30 40 GIEB N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1 1437391 ZYKRIYCYWOHUDV-UHFFFAOYSA-N 384.402 4.488 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 3535949 TXKKOJBJZMTFGE-CYBMUJFWSA-N 399.903 4.355 30 40 GIEB C=CCN(C(=O)COc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 3558698 QHXASEALRBAQSS-UHFFFAOYSA-N 380.469 4.417 30 40 GIEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 4313940 LNDXCOQLCPFNIC-UHFFFAOYSA-N 376.272 4.130 30 40 GIEB C#CCOc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1OC 4997987 ORZPMUAXGFZTBJ-XSFVSMFZSA-N 383.403 4.205 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(C)c2)cc1 5324072 PDNHZLVOIXRKLL-HTAPYJJXSA-N 386.455 4.011 30 40 GIEB Cc1c(C#N)c2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 15906747 HIVGNFRRXXDOLU-YYDJUVGSSA-N 399.475 4.346 30 40 GIEB CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 16575300 LNTJGZNWPXXJMP-GLEDVZQVSA-N 399.491 4.442 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(C[C@H](C)CC2=O)N1 20059011 NVJWXTVQUNWOPT-RCDICMHDSA-N 387.483 4.243 30 40 GIEB O=C(CO/N=C\c1ccc(OCc2cccc(F)c2)cc1)Nc1ccccc1 33375913 KRECPGJTZMLDNB-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB CCCCCCCCS(=O)(=O)CCOS(=O)(=O)CCCCCCCC 98008422 MJWPFIJSQHYUSM-UHFFFAOYSA-N 398.631 4.469 30 40 GIEB N#Cc1c(Cc2ccccc2F)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846865 FLMUJOCZEFUBAA-UHFFFAOYSA-N 375.234 4.422 30 40 GIEB CCn1ncc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)c1C 252490328 KPRFHZHMGCOFJZ-QPSGOUHRSA-N 398.389 4.334 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508247 AKMGOLMVBIBATQ-VEKYQQTESA-N 382.548 4.386 30 40 GIEB O=C(/C=C/C=C/c1ccccc1)C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 5255305 DFFYMGJXSOXIDH-OVYLXHAYSA-N 388.250 4.362 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 6479123 IBTZURUDZLCVLA-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB CCOc1ccc(-c2nc(NC(=O)COc3ccc(C#N)cc3)sc2C)cc1 6788709 RKQDRWLQSKPZCF-UHFFFAOYSA-N 393.468 4.406 30 40 GIEB Cc1ccc(C2=NN(C(=O)CNc3ccc(C#N)cc3)[C@@H](c3ccco3)C2)cc1 15122523 KVXWZBNEHDHAGI-OAQYLSRUSA-N 384.439 4.250 30 40 GIEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Sc1nc2ccccc2s1 21960881 KPPRZGIYFRNQCW-NSHDSACASA-N 392.465 4.171 30 40 GIEB Cc1nccc(-c2cccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)n1 32025384 MDMIBEAVKVKARE-UHFFFAOYSA-N 383.411 4.268 30 40 GIEB CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)COP(=O)(O)O 40164194 DUYSYHSSBDVJSM-MCXRAWCPSA-N 379.478 4.041 30 40 GIEB endogenous,in-man N#CCc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 48299112 IRHQKJILVQMWFW-UHFFFAOYSA-N 383.451 4.464 30 40 GIEB CCCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CCCC1=O 100162347 WPGMUWCRINEFAZ-UHFFFAOYSA-N 387.520 4.383 30 40 GIEB O=S(=O)(/N=C(\c1ccccc1)N1CCCc2ccccc21)c1cccs1 102942326 LUPZDHPOWIMUKE-QZQOTICOSA-N 382.510 4.336 30 40 GIEB C#CCOc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409035696 JZFHFUVHHUHKTR-QPJQQBGISA-N 376.659 4.066 30 40 GIEB Cc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c(C)[nH]1 409283676 SGNRXBUVAIAUMY-UHFFFAOYSA-N 387.281 4.110 30 40 GIEB C[C@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083811063 RFFZJWLVXXMBNV-SCSAIBSYSA-N 385.148 4.357 30 40 GIEB CCOC(=O)c1c(NC(=O)/C=C/C(=O)c2ccc(C)o2)sc2c1CCCC2 3180318 DLNKNRTVOPSLCN-PKNBQFBNSA-N 387.457 4.083 30 40 GIEB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2C#N)C1 9217506 CTFDURLUTOYPPQ-JTQLQIEISA-N 388.876 4.421 30 40 GIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccn1C 9609975 QAZWGEOVYIBBCB-DNVCBOLYSA-N 396.560 4.391 30 40 GIEB CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC 20246841 KSFYSFDOAGIOKZ-HZHRSRAPSA-N 379.460 4.032 30 40 GIEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccccn3)s2)c(C(F)(F)F)c1 40110785 QGLUKWHZFHIEDP-UHFFFAOYSA-N 388.374 4.272 30 40 GIEB C[C@H](/C(O)=N/c1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)c(Cl)c1 82120566 HNTMDFGVEKVKSK-SNVBAGLBSA-N 393.274 4.272 30 40 GIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)[C@H]1C=C[C@H]2C12CC2 106361221 NAGHZRPAHWQZSM-GVRWEOJBSA-N 392.842 4.131 30 40 GIEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1Cl 408933724 KJQVSDVUDABOIP-WSDLNYQXSA-N 382.803 4.366 30 40 GIEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3ccccn3)cs2)c1 585295229 QVLZAHXLFNXJDC-GOSISDBHSA-N 376.489 4.276 30 40 GIEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 1354174 XBZUKIAWQHCWPU-UHFFFAOYSA-N 396.809 4.205 30 40 GIEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 1440237 RQSVSQADLPEUCB-XDCJIHQESA-N 390.483 4.480 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1 2251038 OWMDRGZQTYBAPP-QGZVFWFLSA-N 379.851 4.335 30 40 GIEB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccc(C)c1 3386208 UKBBEYZFLIAUEN-HNNXBMFYSA-N 391.500 4.264 30 40 GIEB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl 4286289 RDLOTUUWGMTSFJ-APSNUPSMSA-N 389.198 4.374 30 40 GIEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(C)cc1 4814720 OMEHFINKWISDNI-UHFFFAOYSA-N 399.545 4.244 30 40 GIEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 5923739 WCKSOYKCCKAANI-MRXNPFEDSA-N 395.528 4.473 30 40 GIEB CSc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 19959938 ZEWGGEKHVIAYLJ-JLTOFOAXSA-N 392.484 4.317 30 40 GIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(Oc3ccc(Cl)cc3)c2)C(=O)O1 21711913 JYOVKCVPTGAKEF-JOCSGSGBSA-N 382.799 4.361 30 40 GIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccs1 24672152 RACPBPJBXDVVLC-IBGZPJMESA-N 392.565 4.325 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 33891817 UOAYPLOLOJPBLJ-HTIXJGPSSA-N 381.501 4.248 30 40 GIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc2sc(C(=O)OC)c(C)c2c1 69058059 YEBUMLXSNFQFFM-GOSISDBHSA-N 393.468 4.144 30 40 GIEB N#CCCSc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 95953481 KZPVKKNVTHCPAA-UHFFFAOYSA-N 384.486 4.375 30 40 GIEB C[C@@H](OC(=O)Cc1ccccc1CC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95997412 JWDROUBAQCBSMH-APWZRJJASA-N 386.492 4.016 30 40 GIEB O=C(/C=C\Nc1ccc(F)cc1F)c1ccc(I)cc1 100661895 IAXADPWDBKOFLW-FPLPWBNLSA-N 385.151 4.378 30 40 GIEB CCc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 103834773 RHWJRQUHCDWNJF-GLEDVZQVSA-N 381.501 4.148 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(CCOC)c3C)S2)cc1 408951833 KGEAUBOKBGUPNV-CPNJWEJPSA-N 399.516 4.042 30 40 GIEB N#Cc1c(NC(=S)NC(=O)c2ccc(F)c(F)c2)sc2c1CCCCC2 695733 MKKSLAWAHVJHHL-UHFFFAOYSA-N 391.468 4.294 30 40 GIEB COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(Cl)cc1 4516916 OABFWAKQAJKHKW-UHFFFAOYSA-N 380.835 4.378 30 40 GIEB Oc1ccc(Br)cc1/C=N/Nc1nnc(Cl)c2ccccc12 4837284 XDIWEFSSZYIEMT-QGMBQPNBSA-N 377.629 4.197 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O 6900394 KBRAOLUICKMLGD-CYBMUJFWSA-N 399.903 4.355 30 40 GIEB COc1ccc(-n2c(C)cc(/C=N\NC(=S)NCc3ccccc3)c2C)cc1 6961841 JNVNWXWTRXUFCG-IWIPYMOSSA-N 392.528 4.101 30 40 GIEB CC(=O)c1cc(C#N)c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1C 24107752 ODQJGTBRXNWGAU-HXUWFJFHSA-N 393.512 4.310 30 40 GIEB COc1cc(C#N)ccc1OCCCC(=O)OCc1nc2ccccc2s1 40129089 WLXUAIHAKCAXGA-UHFFFAOYSA-N 382.441 4.079 30 40 GIEB CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1cccc(Cl)c1 57878111 OBCRZQDLHZWIGQ-KRWDZBQOSA-N 399.830 4.163 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(F)(F)F)cc32)cc1 223743463 VLXMUPIEGOPKLH-ULJHMMPZSA-N 391.418 4.292 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)N1CC 408929503 KHRGAUBVSPCICE-QSAFIDALSA-N 385.445 4.475 30 40 GIEB Cc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1 2315759 ZCNKCSXMIQPRCU-UHFFFAOYSA-N 380.407 4.100 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)CC1=O 4385958 ULHGCSPYMWODOP-LJQANCHMSA-N 389.499 4.234 30 40 GIEB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1OC 4849011 AGXFAQRHSFEEDL-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2cccc(C)c2)CC1=O 4910436 SULQRAAXYJWBEB-LJQANCHMSA-N 389.499 4.316 30 40 GIEB CC(C)(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 5903848 YVLKYSLWTWIAHS-XDHOZWIPSA-N 395.322 4.059 30 40 GIEB Fc1ccc(-c2cs/c(=N\C[C@@H]3CCCO3)n2/N=C/c2ccccc2F)cc1 6598391 JKSLAJJQONKJJS-ZPLIGXPWSA-N 399.466 4.457 30 40 GIEB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc1 6732464 IXAZQWVXRNWFJK-FQEVSTJZSA-N 390.418 4.115 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc(Cl)c2)no1 9243968 SINSFKMHUYOLBZ-QGZVFWFLSA-N 398.802 4.321 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)c1c(O)n[nH]c1N2 12347118 BUBSZHYMPAPDIS-LJQANCHMSA-N 387.439 4.259 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 13127763 ZEJPIYGSIWOLIQ-SFHVURJKSA-N 379.437 4.428 30 40 GIEB COc1ccccc1CN/N=C/c1cc(C)n(-c2oc(C)c(C)c2C#N)c1C 20762308 IHBRHSVLCZZKKG-DHRITJCHSA-N 376.460 4.308 30 40 GIEB C[C@@H]1CCN(C[C@H]2C(=O)O[C@H]3[C@H]2C[C@@H](C)[C@@H]2CC[C@@]4(C)O[C@H]4[C@H]32)CC(C)(C)C1 36367405 CYCHSGXOIJOGQH-FAQFYZMTSA-N 389.580 4.126 30 40 GIEB biogenic CC1CCN(C(=O)C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)CC1 95971347 YQGCUCCWOITTKE-UHFFFAOYSA-N 379.426 4.052 30 40 GIEB Cc1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 100532561 DBFKEZZPTLMYAW-FLFQWRMESA-N 399.410 4.122 30 40 GIEB CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 100567783 XHWQPGMAHKBRBX-HDYAUDIQSA-N 384.392 4.135 30 40 GIEB CCCCNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 100865926 LZWJUSCKNNMNAA-QCLNCQLRSA-N 381.501 4.129 30 40 GIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1 408765040 YXOSKGFVCBJGDE-BOPFTXTBSA-N 383.429 4.057 30 40 GIEB C(=N/Nc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1)\c1ccncc1 4119297 GEMSGFRQNIECHO-HKOYGPOVSA-N 393.539 4.078 30 40 GIEB CN1C2=C(C(=O)CCC2)C(c2ccc(Br)cc2)C2=C1CCCC2=O 8091661 BSZIGDGOBGNMPF-UHFFFAOYSA-N 386.289 4.492 30 40 GIEB CC/C(=N\Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C 98055019 XQNKXVCZDOCQFU-LFVJCYFKSA-N 377.366 4.330 30 40 GIEB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122138 DKSDQRCPFPHCCK-WOJGMQOQSA-N 376.485 4.444 30 40 GIEB CCCC[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O 101219069 GOAYWCOHAUMVFY-NHKNDPDJSA-N 388.514 4.070 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)N1 2247051 WWQAACRTNOQRNC-QGZVFWFLSA-N 379.851 4.335 30 40 GIEB C=CCOC(=O)COc1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1 2319136 DXQSOQVLXNNFNR-UHFFFAOYSA-N 380.396 4.385 30 40 GIEB biogenic O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(O)c(O)c1 5376384 LDEUWVASNCUVMB-AUWJEWJLSA-N 380.347 4.008 30 40 GIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(C)c1 5476011 ORVDRRNDKJXOGB-UHFFFAOYSA-N 389.249 4.045 30 40 GIEB C/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 12603062 OKBYVQJDTFQJBM-MDCRQLBCSA-N 378.866 4.252 30 40 GIEB COC1=CC([N+](=O)[O-])=C/C(=C/C=C2/c3ccccc3-c3ccccc3N2C)C1=O 35145671 ZFPIJTBWYYZJOO-PWTDMMQBSA-N 386.407 4.344 30 40 GIEB C=CCOc1ccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)cc1 46086399 LQYCUVAUROSVEW-UHFFFAOYSA-N 375.472 4.449 30 40 GIEB COC(=O)c1ccccc1N/C=C(/C(=O)c1ccc(C)cc1)C(=O)C(F)(F)F 100862413 BKAXYGNOODGZHU-PTNGSMBKSA-N 391.345 4.092 30 40 GIEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2sc3ccccc3c2s1 102104153 CJMRDYZEFMRMCY-LBPRGKRZSA-N 377.450 4.472 30 40 GIEB CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102622038 SKYTZCGIAIQNAT-SNHGZMDHSA-N 383.488 4.488 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2sc(C)cc2c1=O 641575 USFYPQARNLOAKL-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 1457736 JUNRMIJRRVQVOC-OAQYLSRUSA-N 396.506 4.442 30 40 GIEB COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N\OC(=O)C12CC3CC(CC(C3)C1)C2 4892747 ZUKBBCNEKJYAOO-PTGBLXJZSA-N 398.459 4.403 30 40 GIEB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)/C(O)=N/Cc3ccncc3)c12 5243413 PUSULAHAPYFZQW-OAHLLOKOSA-N 380.444 4.373 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 5490600 FZXZTJRJSFOOCG-JOCHJYFZSA-N 398.462 4.211 30 40 GIEB C=CCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 8041622 HMBQWZGJXRDYDW-UHFFFAOYSA-N 393.224 4.417 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 8990129 PCIWYGNWHQVRKT-ODLFYWEKSA-N 382.412 4.032 30 40 GIEB CN(C)c1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 12610084 HEHMFIDWQXYFAF-FMIVXFBMSA-N 387.483 4.034 30 40 GIEB COc1cc(/C=C/C(=O)N(Cc2ccco2)Cc2ccco2)ccc1OCC#N 30471873 BZZSHWAQGRXKII-VQHVLOKHSA-N 392.411 4.026 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1 72391219 MWBJFGMMUGPJBE-VWLOTQADSA-N 390.527 4.217 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 97105058 GJKCJWOZQABLBW-REWPJTCUSA-N 394.467 4.332 30 40 GIEB Cc1ccoc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409286962 RPUJBEWJYNFXKK-UHFFFAOYSA-N 388.265 4.240 30 40 GIEB CCOC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)cc1 988608 LCTWJAVPILLHCT-FQEVSTJZSA-N 389.451 4.169 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)no1 1451116 XEYNJIDNOBQVAA-MRXNPFEDSA-N 384.775 4.012 30 40 GIEB CN(C)c1ccc(/C=[N+](\[O-])[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 2266351 ZTENRBUOFCPZTN-QWQBBLJPSA-N 385.558 4.325 30 40 GIEB CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)S/C1=N/c1ccccc1 4664289 JZKVXGUDWNTXQW-RDNNIZOPSA-N 389.274 4.389 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 6641299 YNWDWFAPAWRTFT-QPJJXVBHSA-N 393.233 4.077 30 40 GIEB N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1-c1ccco1 20458734 DHFVFLQWHWHDRY-UHFFFAOYSA-N 394.843 4.477 30 40 GIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@H](C)CNC(=O)[C@]13CC[C@H](C1)C(C)(C)C3=C)C2 40180428 CROQMTIRWFBSQR-UMWTUXJGSA-N 398.591 4.372 30 40 GIEB Cc1cc(C)n(-c2ccc(CNC(=O)C3(C#N)CCCC3)c(C(F)(F)F)c2)n1 68220958 OTTCXZHFXZKEBD-UHFFFAOYSA-N 390.409 4.208 30 40 GIEB C/C(=N\OCC(=O)N1CCCCC1)c1ccc(OCc2ccccc2C)cc1 96257552 FYBCAOSVDKXPHV-LYBHJNIJSA-N 380.488 4.327 30 40 GIEB CCc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114802878 FBTFASDRENRWTM-UHFFFAOYSA-N 399.494 4.309 30 40 GIEB CCc1ccc2c(c1)/C(=N/Nc1cc(Cl)ccc1C)C(=O)N2C1CSC1 223725076 QOPNDWQWDUHZMZ-NMWGTECJSA-N 385.920 4.489 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O 408526414 BEBIHJBLTQNRIR-UYRXBGFRSA-N 379.437 4.171 30 40 GIEB CCOc1cc(-c2c(-c3ccc(C)cc3)c[nH]c(=N)c2C#N)ccc1OCC#N 408983771 CLADFFJTBQNBCI-UHFFFAOYSA-N 384.439 4.309 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1Br 409057919 LWWHBGPUTZYWMZ-PTNGSMBKSA-N 394.290 4.298 30 40 GIEB O=[N+]([O-])c1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 409073052 ONJXTGPWZHQPSR-XSFVSMFZSA-N 382.397 4.113 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(OCC)c(Br)c2)SC1=S 409333551 SSGOWVTXPUEHNX-UKTHLTGXSA-N 384.320 4.235 30 40 GIEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 1006352 GWLWQRRMIMIZSS-ACNPPRPFSA-N 380.488 4.134 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 2055468 JZCUYVHFUAQYEL-HXUWFJFHSA-N 383.488 4.340 30 40 GIEB Cc1cc(/C=N/NC(C)(C)C)c(C)n1-c1ccc(I)cc1 3231776 XFAUMUUQYHUAEM-YBFXNURJSA-N 395.288 4.421 30 40 GIEB N#Cc1c(Nc2ccccc2F)sc(C(=O)c2ccc3c(c2)OCO3)c1N 6528760 ZJVKYTJOQQWNCQ-UHFFFAOYSA-N 381.388 4.044 30 40 GIEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 6856408 PILNKOXTVLRDGQ-UHFFFAOYSA-N 390.274 4.357 30 40 GIEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1 9329960 QLPLQVODHUDVEW-ZHRRBRCNSA-N 386.455 4.011 30 40 GIEB COc1cc(C#N)cc(Cl)c1OCC(=O)N[C@H](c1cccs1)C(C)C 12739619 RYLFCRUABHDHFN-KRWDZBQOSA-N 378.881 4.174 30 40 GIEB COc1ccccc1/N=c1\scc(-c2ccco2)n1/N=C/c1ccccn1 15913445 ZUWQRVANQAPSHP-JWKPFVQPSA-N 376.441 4.328 30 40 GIEB COC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccccc2)cc1 17993930 SQWPJDBFKJYHQL-NJNXFGOHSA-N 385.423 4.472 30 40 GIEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 27230631 FGOOANPXUIJEAJ-UNOMPAQXSA-N 377.469 4.469 30 40 GIEB N#CC1CCN(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)CC1 58265283 PCEXJHASMXXBDB-GOSISDBHSA-N 378.501 4.306 30 40 GIEB C=CCc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc(OC)c1OC 83921318 INIXDEZQJFJJMJ-SFTDATJTSA-N 395.499 4.161 30 40 GIEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 95533051 PXLSRJKJVODEMP-IPMKNSEASA-N 394.600 4.478 30 40 GIEB CCOc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1OCC(N)=O 681069 HRTHKNZYIGNNNV-MFKUBSTISA-N 389.455 4.444 30 40 GIEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2302732 VCWJXPYNKVMMLP-GOSISDBHSA-N 393.535 4.314 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(F)F 2792157 ZERJLDRNDNRNMS-UHFFFAOYSA-N 378.400 4.361 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C 4025766 UQWZWQYTKPEDAK-KNOCVWDGSA-N 380.484 4.403 30 40 GIEB biogenic O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3s2)ccc1Br 5174135 CWDNGDYQAYQJGL-LZYBPNLTSA-N 377.223 4.413 30 40 GIEB Cc1cnc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)s1 6084151 DYZRPSUKMHCSGX-DENIHFKCSA-N 389.528 4.322 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430090 UTXHETSBXGEISG-UHFFFAOYSA-N 386.879 4.300 30 40 GIEB N#Cc1cccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1 7985789 BGTJGYMGEFMXPI-UHFFFAOYSA-N 381.439 4.159 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1c(O)n[nH]c1N2 12347153 HRMDDQKLHSLFJW-IBGZPJMESA-N 387.439 4.259 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2ccsc2c1=O 12635357 MESZPRXVHFYJBA-LBPRGKRZSA-N 386.498 4.016 30 40 GIEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCCC3 13692784 ZQBBCVSUXCWOLV-UHFFFAOYSA-N 376.485 4.228 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)cc1 16810025 JVALZDFTUNMDKF-MNAFEPAFSA-N 379.456 4.391 30 40 GIEB biogenic COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)cc1 16810027 JVALZDFTUNMDKF-PJMHOZITSA-N 379.456 4.391 30 40 GIEB biogenic C=CCn1c(SCc2cccs2)nnc(Nc2ccccc2CC)c1=O 28538816 MDFAPBJNQXNLRE-UHFFFAOYSA-N 384.530 4.484 30 40 GIEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 96346666 VCFQBHMMOZGFNF-UXHICEINSA-N 388.446 4.283 30 40 GIEB O=C(/C=C/Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 106536713 OEYHMRZIEVCEHN-MDZDMXLPSA-N 387.277 4.094 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1 408818465 WXTAYZAVJGWWLM-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(=O)O)c1 408914524 YGHOYXHZSVMGLP-MTJSOVHGSA-N 378.388 4.147 30 40 GIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(OC)nc3)c2C)c1 408966494 LYCFHEBKLMQIGI-QRVIBDJDSA-N 377.444 4.425 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409072070 AQQTTYILFUGSSB-LDADJPATSA-N 396.424 4.396 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccncc3)c(OC)c2)SC1=S 409339658 KDUFAFSLSGAAFD-PDGQHHTCSA-N 398.509 4.056 30 40 GIEB O=C(O)c1c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 1673820 LKYHSVZYRDQLGY-UHFFFAOYSA-N 376.130 4.429 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)cc1 4116312 OFMKWEQNGGUDMK-JBYOLUDKSA-N 376.456 4.226 30 40 GIEB O=C(Nc1ccccc1)/C(=N/Nc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 4293499 ZNOUESGWRKHAPJ-ATJXCDBQSA-N 376.372 4.038 30 40 GIEB C/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 4550851 MAHYCIPBXAOGGT-VXLYETTFSA-N 383.187 4.248 30 40 GIEB COc1cccc(/C=N/CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O 4688291 ZNYJTAWBBUZXNW-SSDVNMTOSA-N 397.353 4.249 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C)cc2)C2=C(C[C@@H](C)CC2=O)N1 4944099 CIKSFOZLSBNQIW-IVZQSRNASA-N 387.483 4.243 30 40 GIEB COc1ccccc1C(=O)C1=C2NC(=O)c3ccccc3N2Cc2ccccc21 5811085 IYYDPRWZVSXGPF-UHFFFAOYSA-N 382.419 4.010 30 40 GIEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)cc1 6870404 ZAISGWXJJJJGSC-PDGQHHTCSA-N 384.457 4.081 30 40 GIEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)Cc1noc2ccccc12 28243473 GUWOWMYICOUJLO-XDOYNYLZSA-N 379.485 4.281 30 40 GIEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2)cc1 44858832 KCJVCPQBOGELMV-QFIPXVFZSA-N 398.466 4.466 30 40 GIEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC)CC1 257251701 JRVPVGJIIMDIEK-UHFFFAOYSA-N 396.556 4.279 30 40 GIEB O=C1CSC(=S)N1/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 408600180 WHEWOILFQVGJQK-DNTJNYDQSA-N 394.880 4.252 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1 408796580 YQDYDXOAPSYVKN-QNGOZBTKSA-N 389.451 4.437 30 40 GIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1CC 408912747 LRMGQTUKOIHMIO-KDWIEBRMSA-N 397.456 4.487 30 40 GIEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 2475492 COVBOGNHAVXIFG-YUCJCZDXSA-N 391.855 4.069 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC 4918623 RPXJXVSRNFJRSB-WIYYLYMNSA-N 398.430 4.162 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 4944143 QRTPWBOHSLWBNV-ZSEKCTLFSA-N 391.446 4.073 30 40 GIEB COc1cccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 4980098 LQWBRJZLRPHBOL-SRZZPIQSSA-N 377.425 4.371 30 40 GIEB CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1nc2ccccc2s1 5463025 UKLJVSQJVMJLHN-GFBZKKKVSA-N 397.412 4.138 30 40 GIEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)Nc2ccccc2C(F)(F)F)c1 5657556 HERPZGAYNAOSJX-BHGWPJFGSA-N 394.422 4.374 30 40 GIEB CCOc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2OC)cc1 5900369 VZCAFFUVCGTOFY-TYWIRVFISA-N 380.473 4.188 30 40 GIEB CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC(F)F)cc2)c1 6489660 PZPHZFHSKODMFH-SRZZPIQSSA-N 390.415 4.490 30 40 GIEB C=CCNC(=O)c1ccccc1C(=O)c1ccc(OCCC)c(OCCC)c1 12899983 FKUCLTZVGHAKGU-UHFFFAOYSA-N 381.472 4.411 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 13635101 RMIYAFUQIFXBPV-FQEVSTJZSA-N 375.428 4.063 30 40 GIEB C=CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1 14189371 VSRDYFLFLQSUEG-UHFFFAOYSA-N 398.484 4.084 30 40 GIEB COc1cc2c(c(OC)c1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 18200047 LXPOYTRTTMEZTP-LJQANCHMSA-N 380.400 4.177 30 40 GIEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3ccc(C)cc3C)[nH]2)cc1 20477901 QVYGHVMSSMFNTO-UHFFFAOYSA-N 393.516 4.046 30 40 GIEB COCCOc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1 44027683 GANXEKWPTJCRTP-BJMVGYQFSA-N 393.361 4.109 30 40 GIEB Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 79047412 OCRPBRVLHNXXEO-UHFFFAOYSA-N 386.480 4.396 30 40 GIEB CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2C(=O)C(O)=C(C(C)C)C(=O)[C@@H]12 104075143 GZGFNUROSGAIJU-WOFRMQIFSA-N 376.493 4.007 30 40 GIEB CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1 408810676 MPCUCSLWGWKCKP-FBHDLOMBSA-N 393.256 4.242 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 2066363 DIMKSBCGMKZJPN-FQEVSTJZSA-N 383.488 4.340 30 40 GIEB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCCC3)cc1 2316689 NTSVXDRRAVFXHT-UHFFFAOYSA-N 399.541 4.414 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 2358979 JRIJTVMJZXYCGG-MXWPMSCXSA-N 396.472 4.229 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC 4066494 JMEOGJMLTKWQAU-NRFANRHFSA-N 381.472 4.173 30 40 GIEB COc1ccc(/C=C/C(=O)c2ccc(I)cc2)c(OC)c1 4185331 WXORMDBCMQRQNZ-UXBLZVDNSA-N 394.208 4.205 30 40 GIEB CCOc1ccc(/C=C2/SC(Nc3ccccc3)=C(C(=O)OC)C2=O)cc1 4688353 KQMHWAKLXGJUTR-GHRIWEEISA-N 381.453 4.239 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C 6473103 BJLYYWUEWZBQGX-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB Cc1cccc2cc(CN(CCN(C)C)/C(S)=N/c3ccccc3)c(O)nc12 8829029 NOSKXRNBSZIHFQ-UHFFFAOYSA-N 394.544 4.230 30 40 GIEB CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2c1 8917645 DRJHGFSEFNFAMU-UHFFFAOYSA-N 378.453 4.420 30 40 GIEB N#Cc1ccc(COc2c(Br)cc(C=O)cc2Br)cc1 20156227 BSGPXFNVWIXJIP-UHFFFAOYSA-N 395.050 4.475 30 40 GIEB O=C1/C(=C/Nc2ccccc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 20575596 MDCCPRGOJMSISD-AQTBWJFISA-N 396.493 4.234 30 40 GIEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 57600749 BTIQAQKFOTYDAV-DUXKGJEZSA-N 394.600 4.478 30 40 GIEB CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(OC)c(OC)c1 98001296 CCRVHMARIVWAOF-CAPFRKAQSA-N 384.542 4.098 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)(F)F)c1C#N 1074283 SHRKCCCDEOGOSU-UHFFFAOYSA-N 395.406 4.158 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 1457737 JUNRMIJRRVQVOC-NRFANRHFSA-N 396.506 4.442 30 40 GIEB CCCC[C@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O 1752128 VTUNRCQVWMUYCA-JOCHJYFZSA-N 379.460 4.217 30 40 GIEB O=C1C[C@@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2c1ccc1ccccc21 3097153 ZKMCPEZTLVCGCX-ZDUSSCGKSA-N 398.230 4.258 30 40 GIEB C=C(C)[C@@H]1CC=C([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 4028934 LOISBJJFWMKRLS-NPJIIEKKSA-N 376.460 4.125 30 40 GIEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 5789345 AUPBPGARDJFDNA-IBGZPJMESA-N 399.516 4.433 30 40 GIEB COc1cccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCCC4)c1 6051720 NRVCAFUFHMVMBK-UHFFFAOYSA-N 397.525 4.340 30 40 GIEB C=CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 6082879 SIWMJHIYHJIJIG-UHFFFAOYSA-N 376.913 4.108 30 40 GIEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 6889113 KBBAKUNPOSDVAD-YBFXNURJSA-N 387.370 4.050 30 40 GIEB C=CCn1c(N2CCC(C(=O)N[C@@H](C)c3cccs3)CC2)nc2ccccc21 12116499 BFEVFZFQWZDXQT-INIZCTEOSA-N 394.544 4.378 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960108 JOTONHVMDUSERY-LIRRHRJNSA-N 392.484 4.317 30 40 GIEB C[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 21678802 IDLIAIYVSGWSLL-CJTWTEFWSA-N 382.847 4.232 30 40 GIEB C[C@]12CN(C(=O)COc3ccc(Cl)cc3Cl)[C@]3(C#N)C[C@@H]1CC[C@@]23C 101023502 SVEFWROYAQKXMX-TUCQFJRYSA-N 379.287 4.303 30 40 GIEB CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408551899 NHZJADTWBGMDSV-UKWGHVSLSA-N 383.231 4.218 30 40 GIEB C/C(=N\NC(=S)Nc1ccccc1)c1cccc(I)c1 408782572 KHVQRKVJWMXSEP-WOJGMQOQSA-N 395.269 4.002 30 40 GIEB CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(Cl)cc1 636519 FOEBXJHAICZVIC-ZVBGSRNCSA-N 398.315 4.138 30 40 GIEB CCOC(=O)c1c(/N=C(\S)Nc2ccc(C)cc2)sc2c1CCN(C)C2 5844681 GBGQWSROVBRSDL-UHFFFAOYSA-N 389.546 4.251 30 40 GIEB N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)c1 32291775 HJLDIDUOZDZELB-UHFFFAOYSA-N 387.395 4.227 30 40 GIEB COc1ccc(/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cn1 96476513 QMYTZYKXCDWDMH-FMCGGJTJSA-N 392.411 4.127 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 97105067 GDGQGZVPLMINLE-DENIHFKCSA-N 380.440 4.023 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 409087640 CQXSPKYFZXGCSJ-PTNGSMBKSA-N 384.229 4.358 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1cccc(F)c1 409100319 VDZYDJQCCCRXGA-FSJBWODESA-N 396.378 4.163 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)ccc3OC)nc2c1 1354726 YARPJVPMAFCKQO-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 4312031 NLKSBDASVHXQHQ-OAQYLSRUSA-N 385.419 4.484 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 4919137 OZYVBXCNNLPACD-IRLDBZIGSA-N 380.440 4.023 30 40 GIEB COc1cc(Br)c(Br)c(/C=N/c2cccnc2)c1O 5329609 YWCNNDSVLXRTGS-REZTVBANSA-N 386.043 4.071 30 40 GIEB Cc1ccc(-c2noc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 7605525 IOPISZDRJSPSKR-UHFFFAOYSA-N 384.848 4.301 30 40 GIEB C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(C#N)c(Cl)c2)N1C 7736867 OCVFCJHKMRWMHD-UHFFFAOYSA-N 382.876 4.487 30 40 GIEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)C4CC4)ccc3C1=O)cn2C 9422981 KAXGDEGJRPCVSU-ZVBGSRNCSA-N 389.407 4.119 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)c3ccc(C)cc3C)n2)n[nH]c1=S 12552528 JDBUNLSSOZZKOI-UHFFFAOYSA-N 385.518 4.043 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 20059202 SHELBKQVJORADB-GTJPDFRWSA-N 393.512 4.304 30 40 GIEB C=CCOc1cccc(NC(=O)c2cccc(I)c2)c1 56387680 FYCFNIPLEFMUET-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1 59435666 QMZMWQUMFCBVAW-QNGOZBTKSA-N 389.451 4.124 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 107902952 AXGLADQVUKIHHX-LEWISRFLSA-N 388.467 4.158 30 40 GIEB COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3F)n2)cc1OC 408619985 FTVTXZSVTZIGGY-UHFFFAOYSA-N 383.404 4.090 30 40 GIEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(C(C)C)cc2)S1 409079353 FNBFXKHWVSPXSA-VBKFSLOCSA-N 387.501 4.158 30 40 GIEB COc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1Br 1239310 RVWKGDGMFLTYJH-ZDLGFXPLSA-N 389.278 4.261 30 40 GIEB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1 4551601 FUADWDMVCSEVRR-UHFFFAOYSA-N 397.430 4.475 30 40 GIEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(OCC(=O)N(C)C)cc1 7780355 GXQNFQVRNIVDHM-YDZHTSKRSA-N 379.382 4.009 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(SC(F)(F)F)cc1 12574343 IKGJSABZHRYXAD-JCMHNJIXSA-N 378.379 4.489 30 40 GIEB CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C 14499588 UTRJNVUJZHUXNP-VQCNVNLLSA-N 376.493 4.319 30 40 GIEB biogenic,in-vitro CC(C)[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc2c(c1)OCCO2 58251680 IOJBGBGFBFPQIV-HXUWFJFHSA-N 396.491 4.405 30 40 GIEB O[C@H](CON=C1c2ccccc2-c2ccccc21)COc1cccc2cccnc12 95117273 PBECBYYCXHSUCF-SFHVURJKSA-N 396.446 4.424 30 40 GIEB N#CCc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210938 SIHGBPDTVADRPU-SECBINFHSA-N 378.066 4.319 30 40 GIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 226333331 PQQBOLZITNGSMX-CSKARUKUSA-N 389.220 4.357 30 40 GIEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 226333368 IHNHHMNMUUUDCU-VQHVLOKHSA-N 389.220 4.357 30 40 GIEB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 786968 CRUFOWRQZHFZMZ-UHFFFAOYSA-N 375.453 4.348 30 40 GIEB O=C1C[C@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2c1ccc1ccccc21 3097152 ZKMCPEZTLVCGCX-CYBMUJFWSA-N 398.230 4.258 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 4910237 SEOIMAQWTFOOJZ-LJQANCHMSA-N 389.499 4.234 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@@H]1c1ccccc1 5351708 BEQXREGMMATMGD-OAQYLSRUSA-N 396.450 4.102 30 40 GIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(O)c(OC)c3)c12 9672436 WNXHDVYJKZVROH-ZRDIBKRKSA-N 387.439 4.394 30 40 GIEB CC(=O)c1ccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCCC3)cc1 12325091 DOWXYYJNFNWBCC-UHFFFAOYSA-N 391.471 4.176 30 40 GIEB N#CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc21 12549786 WYBBYYAAGPHUOP-UHFFFAOYSA-N 388.855 4.473 30 40 GIEB CCCC(CCC)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)S1 18077935 QPURGUYZHSSWFU-QGZVFWFLSA-N 388.537 4.121 30 40 GIEB CSc1nc(NCCOC(=O)CC(C)C)c(C#N)c(-c2ccc(C)cc2)n1 19794139 HCAFBNBTKBPKKP-UHFFFAOYSA-N 384.505 4.047 30 40 GIEB C=CCN(CC(=O)Nc1ccccc1Br)Cc1ccc(OC)cc1 54272382 MMKYAAXFDMKDAE-UHFFFAOYSA-N 389.293 4.084 30 40 GIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408885224 XYZJYRMBQBJVTI-BOPFTXTBSA-N 383.860 4.442 30 40 GIEB CC(C)Cc1nc(C#N)c(N/N=C/c2c[nH]c3ccc(Br)cc23)o1 4276503 VJIIVKQCCQZBPM-ZVBGSRNCSA-N 386.253 4.435 30 40 GIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N 4455866 OFBRQKOZWPYCKS-SSDVNMTOSA-N 391.387 4.022 30 40 GIEB Cc1ccc(C(=O)c2nn(-c3ccccc3)/c(=N\N=C\c3ccco3)s2)cc1 4712314 RZWOWHKDQXCFDX-ROAQJCPQSA-N 388.452 4.001 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cn1 6524092 BDYWLFLGYFNMAY-BATZOBMQSA-N 376.504 4.457 30 40 GIEB CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2ccccc21 8991312 MVUKSQKQWYGCRK-RGVLZGJSSA-N 391.423 4.138 30 40 GIEB N#CCC[C@@H](C#N)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 12562627 LPVZORWRSTVOFM-AWEZNQCLSA-N 386.912 4.057 30 40 GIEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(CC)C1=O 35657178 YIUHQYHBPGEFHW-DLTWUOELSA-N 396.468 4.407 30 40 GIEB Cc1ccc(-c2nc(N/N=C3/C(=O)Nc4ccccc43)nc3ccccc23)cc1 46085397 KHVHNIMVMDDRLO-UHFFFAOYSA-N 379.423 4.374 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1C 97105036 NPLNXDJTEIHPCD-OFNKIYASSA-N 394.467 4.332 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225370740 FRHZTBUUXZZLJV-UHFFFAOYSA-N 377.271 4.481 30 40 GIEB CC[C@H](C)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Cl 409009079 UZVBUHIAKQQMCE-PVGUKEHMSA-N 380.897 4.138 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(C)n(C)c2C)C1=O 409132300 ZVMZZQCNZAEVMP-ATVHPVEESA-N 382.485 4.186 30 40 GIEB COc1cc2c(cc1OC)/C(=N/c1ccccc1Br)NC(C)(C)C2 1260330 WNWBAEMTYXZBII-UHFFFAOYSA-N 389.293 4.469 30 40 GIEB O=C1C(=Cc2ccccc2N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21 2364546 NQUMARFXCBLBEC-UHFFFAOYSA-N 394.474 4.476 30 40 GIEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@]21C(=O)Nc2ccccc21 4575761 WWAMESOYMADZGB-DEOSSOPVSA-N 391.467 4.193 30 40 GIEB CCOc1c(Br)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OC 4655949 IBNYLIPZLVTXQU-VCHYOVAHSA-N 394.225 4.211 30 40 GIEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c1OC 4944938 UANMMRMTHGCDFX-HNNXBMFYSA-N 395.430 4.371 30 40 GIEB CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(Br)o2)S1 5376710 CNKLGSAWTAJOPJ-UKTHLTGXSA-N 377.263 4.496 30 40 GIEB CC/N=C1\S[C@H](Cc2ccccc2OCc2cccc(F)c2)C(=O)N1CC 6348086 DUOQAYFVCWDFLV-HVSLCEISSA-N 386.492 4.287 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccs2)cc1 12408751 QYPXXAOEEYUZGU-XIKOKIGWSA-N 394.456 4.119 30 40 GIEB C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1cccc(Br)c1 19593987 STTPHRAAXPBHOX-OQKWZONESA-N 386.337 4.299 30 40 GIEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(C(=O)O)cc1 35647151 CHTHMNTZAHTAAV-RIYZIHGNSA-N 392.358 4.295 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 38196037 UUGINFABZUJECB-FBHDLOMBSA-N 394.391 4.060 30 40 GIEB COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 57523300 FCQQHUKCSSGXLC-ZDUSSCGKSA-N 378.350 4.044 30 40 GIEB O=C(OCC(F)(F)[C@@H](F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 169795653 NKYDMKMABWCCTI-UWTATZPHSA-N 376.093 4.169 30 40 GIEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(C)c(C)c3)o2)cc1 408782507 JIIODXFDUJQOQR-ZMOGYAJESA-N 389.455 4.210 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)SC1=S 408816131 KOIVRSPHHSYGOQ-BOPFTXTBSA-N 399.493 4.429 30 40 GIEB C[C@H](C#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 6580134 HJCGLRNRSSQPLJ-LLVKDONJSA-N 389.278 4.353 30 40 GIEB COc1cc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc(Cl)c1OC 8284573 JNDFECMEJOVYET-QPSGOUHRSA-N 376.869 4.425 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(Br)c2)c(OC)c1 13137558 ZDGQJONTKMYMAW-XBXARRHUSA-N 377.234 4.371 30 40 GIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200807 QJNPVNBKCHTZSD-SFHVURJKSA-N 377.469 4.100 30 40 GIEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@@H]1C)N(C)CC3)OCO2 20112005 FKYITSOBJSHMDA-ACBJADRSSA-N 397.515 4.461 30 40 GIEB biogenic C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N(CCC#N)c1ccccc1 32608067 MDQFNPMNPYWPEC-CYBMUJFWSA-N 389.550 4.176 30 40 GIEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(Br)cc1 103440665 JNRXOMHCROPVMC-FCDQGJHFSA-N 392.256 4.334 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)ccc1O 409405384 UJEZRELAQJNTHL-UHFFFAOYSA-N 375.815 4.305 30 40 GIEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(Cl)cc2)cc1 1064906 VSFONMYTVFFPRE-SFHVURJKSA-N 399.830 4.006 30 40 GIEB CC[C@H](C)C(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F 2257055 MESJHMGNYRMVJJ-ZETCQYMHSA-N 378.263 4.360 30 40 GIEB CCc1cc(SCC(=O)N2CCCC[C@@H]2C)n2c(nc3ccccc32)c1C#N 3526075 SUZALJSKXXVRPN-HNNXBMFYSA-N 392.528 4.415 30 40 GIEB CCCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 4424132 KQRGWPWWAVWDFT-HXUWFJFHSA-N 395.507 4.290 30 40 GIEB CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 4699899 UYTAGJQYOAMOAA-VGLIXDPASA-N 391.855 4.069 30 40 GIEB Cc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4945113 DWSSTSHOVUXMSV-HJPURHCSSA-N 395.466 4.484 30 40 GIEB N#CCCn1cc(/C=C/C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c2ccccc21 32869259 OBFHZPWOXOYPRN-MDWZMJQESA-N 398.466 4.099 30 40 GIEB C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408768956 MXVXTSMCIBMJNB-PZHBDVNGSA-N 396.512 4.422 30 40 GIEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ncccc2C)n1 585293207 DNDPLOJZZRKQBJ-JOCHJYFZSA-N 399.502 4.226 30 40 GIEB N#Cc1cccnc1NCc1cccc(C(=O)Nc2cccc3ncccc23)c1 1587194278 CAEDNGPGUHWCFO-UHFFFAOYSA-N 379.423 4.366 30 40 GIEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccccc2Cl)c1C#N 871516 CJDVVTBSSFXXNO-UHFFFAOYSA-N 387.892 4.460 30 40 GIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1OC 2055362 GLCYUOWOVFMYSY-HXUWFJFHSA-N 399.487 4.015 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccc1 4286006 BKYQKJVLCMHADA-UHFFFAOYSA-N 394.500 4.261 30 40 GIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)n1 4333796 VBQBBPQKVDMVDN-GOSISDBHSA-N 376.437 4.234 30 40 GIEB N#Cc1ccc(CN2CCN(C(=O)/C=C/c3csc4ccccc34)CC2)cc1 12756222 LHJDUQQPBXTJHQ-MDZDMXLPSA-N 387.508 4.131 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684628 MDMFTMRPZZIGKA-UHFFFAOYSA-N 386.451 4.434 30 40 GIEB COc1ccc(C[C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(OC)cc2)cc1 15524975 YCAUZJIBPUYTTP-HSZRJFAPSA-N 386.451 4.289 30 40 GIEB C=CCN1c2ccc(C(=O)NC3CCCCC3)cc2-c2ccccc2S1(=O)=O 33271875 QAEUNXGTGVIXSN-UHFFFAOYSA-N 396.512 4.111 30 40 GIEB COc1ccc(N/C=C(/C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 100862408 MEUTUUMOAUHYSG-WJDWOHSUSA-N 379.334 4.014 30 40 GIEB CCOC(=O)c1c(/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)sc(C)c1C 100944397 WSXQULLQWIVCAR-BTZNOAQDSA-N 383.473 4.283 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 110706137 PLOZVDQALNAKCJ-HMMYKYKNSA-N 394.544 4.490 30 40 GIEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)s1 223143066 USFMAVGXUAFACN-INIZCTEOSA-N 389.546 4.491 30 40 GIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003137 RCQOJWQSDMYKCA-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB CCCCCCCCCC1=C(CSC[C@H](NC(C)=O)C(=O)O)C(=O)[C@H](C)C1 1772591807 QHCLPKZUBORWGU-BEFAXECRSA-N 397.581 4.355 30 40 GIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(Cl)c1Cl 4136258 DRCJOXBXWKBASI-UHFFFAOYSA-N 376.268 4.320 30 40 GIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5148670 OFUWUEJDAKYFGY-MFOYZWKCSA-N 376.767 4.037 30 40 GIEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 5560584 UCULKEAHLIEHIM-UFFVCSGVSA-N 381.310 4.221 30 40 GIEB COc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 5884366 JQRVEAJSDZUECC-UHFFFAOYSA-N 379.441 4.111 30 40 GIEB N#Cc1c(NC(=S)NC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2 6505502 RSRSMQAIURNRMJ-UHFFFAOYSA-N 393.896 4.418 30 40 GIEB CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O 16682319 NRBCSKXIUOUXNJ-UNOMPAQXSA-N 378.472 4.061 30 40 GIEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 19898848 SLQAPVCSISBIHV-QHCPKHFHSA-N 387.479 4.440 30 40 GIEB O=C(Nc1cccc(/C=N/Nc2ccc(Cl)nn2)c1)c1ccc(Cl)cc1 24036979 GSBWSIZJLMOJPM-SRZZPIQSSA-N 386.242 4.482 30 40 GIEB Cc1c(/C=C2\SC(=Nc3ccc([N+](=O)[O-])cc3)NC2=O)c2ccccc2n1C 408813259 QLNNFVXCPIVCKF-WQRHYEAKSA-N 392.440 4.287 30 40 GIEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967533 TXCMRLCMTNYZLZ-UUYOSTAYSA-N 387.892 4.146 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(OC)cc1 2452480 RXOPOMITMUXRDN-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB N#Cc1cccc(Oc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)c1C#N 2762315 PQJOZADDELGSST-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3183083 WOGLDHUIKQNCHH-UHFFFAOYSA-N 378.403 4.375 30 40 GIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 4488259 KERRXZUYACANCR-JEOXALJRSA-N 398.438 4.342 30 40 GIEB C=CCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 4732473 YBQCQFJIMPHZAZ-GOSISDBHSA-N 380.448 4.143 30 40 GIEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Br)cc(Cl)c2O)cc1 6257570 HLIFJOIMBLBKTM-GIJQJNRQSA-N 398.644 4.247 30 40 GIEB C=CCOc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC 17919038 HYVGHGJGHSLEHQ-UHFFFAOYSA-N 379.378 4.251 30 40 GIEB COc1cc2c(c(OC)c1)[C@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2 18200498 IAOYBZKZTDUCCQ-OAQYLSRUSA-N 395.455 4.286 30 40 GIEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(Cl)cc1 27023789 SUWWOZXEORMFSK-UHFFFAOYSA-N 387.863 4.033 30 40 GIEB Cc1ccc(OCc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c(C)c1 27750186 MYCLAEQWMHDSCM-UHFFFAOYSA-N 388.471 4.069 30 40 GIEB CCc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 35311883 AEJCHXFCBIIPDV-UHFFFAOYSA-N 391.452 4.128 30 40 GIEB C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn23)CC1 40216703 VQBGQWVTFKKWGJ-UHFFFAOYSA-N 395.938 4.365 30 40 GIEB N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)c(F)c1 69951944 ZHYZUJBBSYNXCD-QFIPXVFZSA-N 383.511 4.091 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 95471661 IJPWHHSNVWXTKV-WLDAGKKMSA-N 381.501 4.329 30 40 GIEB COc1ccc(C2CC(=O)C(=CNc3cccc(Cl)c3)C(=O)C2)cc1OC 1410296 YJUPDPZXZWVIDU-UHFFFAOYSA-N 385.847 4.369 30 40 GIEB C=CCNC(=S)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 2123649 SVWWHNDPSMVEPN-BUVRLJJBSA-N 375.497 4.403 30 40 GIEB NC(=S)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 2801870 UGYUCNPOOURXPS-OMCISZLKSA-N 390.715 4.014 30 40 GIEB C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@@H]1COc2ccccc2O1 6910608 LHOAVUHZZLYSMB-IBGZPJMESA-N 390.468 4.141 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 102859023 OTNAOPIMEUTNAB-MRJHHRETSA-N 392.499 4.283 30 40 GIEB C=CCOc1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225741307 HAQNHDHHWUQCEJ-KRWDZBQOSA-N 381.545 4.379 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 2201153 MAJHJPAVDGPNSF-YJBOKZPZSA-N 389.245 4.361 30 40 GIEB CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 4115350 FMFVHYXQNLPFNR-UHFFFAOYSA-N 375.520 4.152 30 40 GIEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@](C)(C#N)C3CC3)c2n1 4840768 ZIEDPUWYPXZCNS-GOSISDBHSA-N 378.259 4.037 30 40 GIEB O=C1[C@H](/C=N/C2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 5164080 YLQWJKDVZDOEBK-CPOBKIPGSA-N 380.395 4.191 30 40 GIEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348026 OLBQYDDMDYEANS-SFHVURJKSA-N 391.858 4.384 30 40 GIEB CCCCOc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)c1 12410807 BTQNHIWMDCSTFC-UHFFFAOYSA-N 381.501 4.352 30 40 GIEB N#CC1(c2ccccc2)CCC(NC[C@@H](c2cccs2)N2CCOCC2)CC1 23257254 CBWMJYXOERUMJT-QKDPSFTKSA-N 395.572 4.115 30 40 GIEB Cc1cc(Br)cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115480 LYNCYHHGHWRFGG-UDWIEESQSA-N 375.266 4.050 30 40 GIEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 36267915 JLLLHZSFVDLJPO-HYARGMPZSA-N 377.400 4.350 30 40 GIEB COc1ccc2[nH]cc(C(=O)/C=C3/SC(=S)N(c4ccccc4)C3=O)c2c1 77024430 UDMCBNVBLYTYJC-VCHYOVAHSA-N 394.477 4.308 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](S)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 118928822 MDYOCVRPFLWERO-RAJVXTTASA-N 377.623 4.437 30 40 GIEB COC(=O)c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931603 NTOTUHPZPTWZSR-LFVJCYFKSA-N 390.439 4.320 30 40 GIEB C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 984866 BXNJZPFHVZVRGL-UHFFFAOYSA-N 396.537 4.498 30 40 GIEB COc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC#N 6441233 UCNYMRURAXKCAZ-SSDVNMTOSA-N 382.420 4.306 30 40 GIEB O=C1/C(=C/c2ccccc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9419904 HRHQPQDCCHTMTE-NDENLUEZSA-N 396.395 4.210 30 40 GIEB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(/C=N/O)n(-c2ccccc2)c1C 17041239 ZNYRDINTZMPDNV-LPYMAVHISA-N 393.399 4.346 30 40 GIEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197636 UAKPIGTZHVSETH-JLTOFOAXSA-N 392.484 4.154 30 40 GIEB COc1cccc(/C=N\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC 31854357 DFINJNSGJLQVIE-GRSHGNNSSA-N 384.417 4.182 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cccc(C)n2)cc1 102491058 OGAAYIRCBDPCBN-WOOAAIBNSA-N 390.464 4.386 30 40 GIEB COc1ccccc1N=C1NC(=O)/C(=C/c2c(O)ccc3ccccc23)S1 408721820 ZPYKRZHMMZWNMS-UNOMPAQXSA-N 376.437 4.446 30 40 GIEB COc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409032356 CVWHIJCQEQAUBL-DENHBWNVSA-N 397.088 4.172 30 40 GIEB COc1ccccc1N(CCC#N)C(=O)CSc1nc2ccccc2s1 2625157 YQDBCZCDVBAKEJ-UHFFFAOYSA-N 383.498 4.344 30 40 GIEB CCCCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 4342116 LZSBFYIOSJGYJP-HXUWFJFHSA-N 384.480 4.124 30 40 GIEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)S2)cc1 4544512 WOVYAJYUYPSTOG-GZTJUZNOSA-N 383.429 4.194 30 40 GIEB C=CCN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(C)(=O)=O 6408163 SUHGBCUZJAARNI-UHFFFAOYSA-N 380.469 4.044 30 40 GIEB CCOC(=O)Nc1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 32900401 WJQNTSUVDDEMKN-UHFFFAOYSA-N 390.361 4.055 30 40 GIEB Cc1sc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1C 39969210 OCIXYXRAQWDMDV-UHFFFAOYSA-N 399.560 4.288 30 40 GIEB COc1ccccc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 40146411 DHCAPMLDDTZWPP-UHFFFAOYSA-N 388.442 4.477 30 40 GIEB C[C@H](c1ccc(F)c(F)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 107088635 FHYSSCOTHPGCTN-CJNGLKHVSA-N 392.409 4.195 30 40 GIEB Cc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)cc1 252481813 CTAADLRULHCHJB-NUGSKGIGSA-N 392.360 4.098 30 40 GIEB COc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1Br 408977036 CHHPJZAIDZCONL-UHFFFAOYSA-N 380.245 4.471 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 982441 YFVRZTYSMLQHQG-SFQUDFHCSA-N 383.425 4.346 30 40 GIEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@]1(C)CC[C@@H](C(C)(C)O)O[C@@H]1C3 5663195 KQYZOQQWBTXSDF-DCLXLUIPSA-N 398.499 4.269 30 40 GIEB biogenic Cc1csc([C@H](C#N)C(=O)COC(=O)CSc2ccc3ccccc3c2)n1 6606132 VONURMPBAJIFCU-QGZVFWFLSA-N 396.493 4.117 30 40 GIEB Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1 7127124 SJFNRTPLKXTRQW-LJQANCHMSA-N 389.480 4.396 30 40 GIEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1sccc1C#N 7538339 HKEUCHYBCLFKMO-LBPRGKRZSA-N 395.513 4.197 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(C2CCCCC2)c1C 12738871 JAAQIPUUNSENFQ-UHFFFAOYSA-N 375.523 4.064 30 40 GIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 13546415 IQSFGISEECTDHE-NDENLUEZSA-N 379.376 4.357 30 40 GIEB CNc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] 20922959 DBNJCELBAMAQPD-QPJJXVBHSA-N 378.331 4.143 30 40 GIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1 24671989 FDRJYBSRRWYJQK-NRFANRHFSA-N 386.536 4.263 30 40 GIEB Cc1cc(Br)c(O)c(/C=N/c2ccccc2N2CCOCC2)c1 32115367 LIKROOLHLPAAON-UDWIEESQSA-N 375.266 4.050 30 40 GIEB CCCCCCCCCCCCCCCCCC(=O)N=C(C(N)=O)C(N)=O 104119634 HEVLNIBMLYMUPG-UHFFFAOYSA-N 381.561 4.186 30 40 GIEB C#CCOC(=O)c1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226317652 JQEJMFUYLNVFPG-UHFFFAOYSA-N 386.201 4.056 30 40 GIEB CCn1ncc(-c2cc(C(F)F)nc(N/N=C/c3ccc(F)s3)n2)c1C 252483852 FKAGIDXAVVNOCR-IFRROFPPSA-N 380.399 4.253 30 40 GIEB C[C@H](NC(=O)CCN(C)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 542061897 ROSMVIYQHKYFJB-SFHVURJKSA-N 384.483 4.324 30 40 GIEB C=CCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)s1 1366019 SPVKCOOPTCXQPY-OAHLLOKOSA-N 388.455 4.123 30 40 GIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2300028 XPVKZJSVGGQHMN-UHFFFAOYSA-N 395.466 4.340 30 40 GIEB O=C(N1CCCc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2765485 SQMGNTDPVKQZET-UHFFFAOYSA-N 379.222 4.434 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)c1C#N 4973672 XJGMLJRZELJKNI-UHFFFAOYSA-N 399.516 4.142 30 40 GIEB C/C(=N\Nc1nn2cnnc2c2ccccc12)c1ccc2c3c(cccc13)CC2 5033798 LQBGMGYCZJKMSV-AFUMVMLFSA-N 378.439 4.365 30 40 GIEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)o1 8844554 CHQNNMLRKOMPQV-OAHLLOKOSA-N 379.416 4.285 30 40 GIEB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1cccc(C#N)c1 12980107 YKXSBHRSNMCIDA-UHFFFAOYSA-N 394.496 4.321 30 40 GIEB C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(C(=O)O)cc1 13590117 GMPMWBLDTHKKBD-VEGAHXMMSA-N 380.469 4.053 30 40 GIEB O/C(=N\c1nc(CN2CCOCC2)cs1)c1cc(C2CC2)nc2ccccc12 23907867 QNMAQWHLYNEKBS-UHFFFAOYSA-N 394.500 4.037 30 40 GIEB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 96119290 HSHSRNLGHFNNHR-UHFFFAOYSA-N 395.528 4.066 30 40 GIEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)O 408816357 JMOKHEZVVXRRLZ-PDGQHHTCSA-N 395.436 4.119 30 40 GIEB N#CC1(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)CCCC1 5243044 UJKRFHDYVXKEKO-UHFFFAOYSA-N 388.496 4.341 30 40 GIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 6813929 SXISQEIHNVJFLS-IEBWSBKVSA-N 397.858 4.097 30 40 GIEB CCc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3C)NC1=O)C(=O)N2 15016107 ZELSOPGWKWAPBL-MSUUIHNZSA-N 397.887 4.425 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)ccc1O 20027254 ACLDAAVJGYXSLV-SFHVURJKSA-N 389.879 4.213 30 40 GIEB CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2C=Cc3ccccc3[C@H]2C1(C#N)C#N 35369291 PRYHLLMOEDZPCL-VABKMULXSA-N 383.451 4.201 30 40 GIEB N#Cc1ccc(C(=O)N2CCS[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 217643735 ZLSZJBYNZUNMPB-KRWDZBQOSA-N 378.375 4.345 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3C)NC1=O)OCO2 409100252 TYNFXSNQHMXDQH-GIJQJNRQSA-N 382.441 4.014 30 40 GIEB Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccco2)nn1-c1cccc(C#N)c1 502512564 ARDXWUCFOHZDNL-JOCHJYFZSA-N 382.423 4.165 30 40 GIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 1531382569 NZFRZXAOZVSFHV-PCLIKHOPSA-N 399.450 4.353 30 40 GIEB C=CCCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889114281 ZKQASXIJTYXQCI-UHFFFAOYSA-N 376.865 4.360 30 40 GIEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C#N)c(C)c1C 663285 XYPNWQQWIPFGGS-UHFFFAOYSA-N 396.541 4.421 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 823486 OQNBJGURKBWZES-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(OC)c1 899138 HEAJIILXUFRLJM-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCCC1 2307827 CHOPZNKRDJRKMB-GOSISDBHSA-N 391.519 4.066 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1 5079436 NFKSCYAHORUVHN-BJMVGYQFSA-N 389.810 4.239 30 40 GIEB N#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7364048 POKPMVPURWSCNW-JOCHJYFZSA-N 399.406 4.089 30 40 GIEB N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl 7641873 YRPHHKVQBRWNJP-WMZOPIPTSA-N 385.920 4.461 30 40 GIEB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 8257715 SRZVQHQVUGEKDI-SNVBAGLBSA-N 387.896 4.135 30 40 GIEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2 18219443 BJXAUTYNWKEAGR-VLIAUNLRSA-N 392.846 4.053 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1OC 20633203 DJZGOJOAISTHKR-FQEVSTJZSA-N 375.428 4.063 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)NC(=O)N1c1ccc(C#N)cc1 32891513 DVUYFMVWRNJOKY-SFHVURJKSA-N 381.457 4.116 30 40 GIEB C/C(NCc1ccccc1)=C1/C(=O)c2ccccc2N(Cc2ccccc2)C1=O 101153021 XIQQIVCUKHHMBO-PTGBLXJZSA-N 382.463 4.480 30 40 GIEB CCOC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218405955 DTDQJTKBBHTPNA-AABGKKOBSA-N 389.904 4.135 30 40 GIEB C=CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Cl 408937742 JRYUQDSPQWOXPD-SFQUDFHCSA-N 380.831 4.347 30 40 GIEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O 409036686 LIYZUMHLBRUQRW-UHFFFAOYSA-N 396.443 4.124 30 40 GIEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc2c(c1)OCO2 647679 YGRNFNBJDRWLEN-IFMALSPDSA-N 399.446 4.458 30 40 GIEB C[C@H]1CCc2c(sc3ncn4nc([C@H](C)Oc5ccc(C#N)cc5)nc4c23)C1 2787123 ZYAGNUBWWFUDTF-STQMWFEESA-N 389.484 4.475 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1OC 5376486 ZJDXGVZGIUACPJ-PXNMLYILSA-N 392.839 4.388 30 40 GIEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCCc1cccs1 14160035 KMTXBNHFMFJTBN-MRXNPFEDSA-N 376.481 4.413 30 40 GIEB C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 16125478 QXPGFWNTSKMPDG-DLBZAZTESA-N 388.307 4.366 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1F)c1ccccc1 17919784 KGGUPAWLZYQVTH-HXUWFJFHSA-N 389.382 4.314 30 40 GIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(Oc3ccc(Cl)cc3)c2)C(=O)O1 21711910 JYOVKCVPTGAKEF-URZUPRTMSA-N 382.799 4.361 30 40 GIEB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(C#N)c3)s2)cc1 28186103 LKQZBOSBHCMYJH-YBEGLDIGSA-N 396.859 4.408 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 102928671 RJHFTKYSFIARLX-NHFXJNLRSA-N 391.398 4.349 30 40 GIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3)o1)[C@H]1C=C[C@H]2CC1 105516529 JRLBFKVQXGCDGT-GOWCMNBUSA-N 380.831 4.131 30 40 GIEB C=CCc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc(OC)c1O 408803021 KJZCRPOYEWKZKG-UHFFFAOYSA-N 385.440 4.031 30 40 GIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccccn3)cc2)c([N+](=O)[O-])c1 5128145 WGIRKQRIDFTUAW-UDWIEESQSA-N 379.332 4.136 30 40 GIEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)c1 5656013 QNPIUSZIVFHFMQ-XQNSMLJCSA-N 393.512 4.384 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 6303982 LTLONAOZEDNNRU-UHFFFAOYSA-N 398.919 4.439 30 40 GIEB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1(C#N)CCCCC1 6351645 RIQZJLQIBAOVLI-KRWDZBQOSA-N 392.455 4.367 30 40 GIEB COc1ccc(/C=C2\Oc3c(Br)c(OC)cc(OC)c3C2=O)cc1 17003682 SCSJTYPFDAWLPS-ZSOIEALJSA-N 391.217 4.091 30 40 GIEB CCN(CC)S(=O)(=O)c1ccc(N/C=C/C(=O)c2cc(C)ccc2C)cc1 44844633 RSNTUSRUEMGOCH-BUHFOSPRSA-N 386.517 4.142 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1ccccc1)C3=O)CN(Cc1ccccn1)CO2 57165749 LHVZSXBMTUYQCJ-SRZZPIQSSA-N 384.435 4.358 30 40 GIEB Cc1cc(NC(=O)N(CCC#N)CCC(F)(F)F)ccc1Br 79072150 UDXJUXSKPBHLDM-UHFFFAOYSA-N 378.192 4.458 30 40 GIEB COc1ccc(/C(=N\O)c2ccccc2/C(=N/O)c2ccc(OC)cc2)cc1 104249646 MKJDSBCMBKUHCH-MBALSZOMSA-N 376.412 4.157 30 40 GIEB O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1ccc(Br)cc1 223741668 UKQYSUCCYPUBNX-UHFFFAOYSA-N 384.155 4.236 30 40 GIEB COc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)o1 409385399 KTBYRPPWEUFQDI-NHDPSOOVSA-N 396.355 4.224 30 40 GIEB N#Cc1ccccc1COc1cccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 589938241 KLCVFMBESVNMAX-UYAOXDASSA-N 390.405 4.073 30 40 GIEB CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 3077616 OHABNZYBAWAVSW-SSZFMOIBSA-N 392.546 4.288 30 40 GIEB C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CCC)cc1 6075920 DYOKCUFIRHAXFQ-ACJLOTCBSA-N 387.505 4.289 30 40 GIEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 6432311 IVMFTYRCJTYQTN-ONNFQVAWSA-N 384.284 4.140 30 40 GIEB N#Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1Cl 7983139 UKBQGIWDIUGCMZ-UHFFFAOYSA-N 377.256 4.472 30 40 GIEB O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 8396725 ODCGSXFIHQYHBY-UHFFFAOYSA-N 384.154 4.002 30 40 GIEB O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc2c(c1)OCCO2 12782004 SEGLAEUGQSIGHM-XVNBXDOJSA-N 379.437 4.389 30 40 GIEB O=C(c1cc2c(F)c(F)ccc2[nH]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 97971437 AFBGPLUDKVXXBP-UHFFFAOYSA-N 386.242 4.403 30 40 GIEB C=CCc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c1O 100765884 HIYJVQMRFXHXOQ-SFTDATJTSA-N 379.500 4.144 30 40 GIEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082563 YPTHZUUWRXHXNU-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C#N 225772366 DJMNONWDUSAPBG-UHFFFAOYSA-N 378.472 4.342 30 40 GIEB C#CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2n1CC 408692821 WFCWMRLNNLONBM-FYJGNVAPSA-N 397.276 4.277 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(CC)C1=O)OCO2 409094913 AJROQVVODYGYBY-IEDMXBAFSA-N 396.468 4.438 30 40 GIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409288649 IOVPTCONAVOPDW-UHFFFAOYSA-N 384.277 4.473 30 40 GIEB c1ccc2c(c1)OCCCCCN/C(=N/CC1CCOCC1)c1cccnc1O2 643571299 DPCQDZWFTUFKJQ-UHFFFAOYSA-N 395.503 4.199 30 40 GIEB COc1c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-] 4471582 AJZSDZUZDNNHMY-ZROIWOOFSA-N 389.820 4.148 30 40 GIEB C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 4503516 OOWIWGUYXCWKOI-UHFFFAOYSA-N 397.485 4.065 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269858 VCRFTBPNCAYZMD-UHFFFAOYSA-N 398.249 4.327 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4C)nc3c2[C@@H]1c1ccco1 5347062 AHWSHFYYFOVSLQ-GOSISDBHSA-N 386.411 4.080 30 40 GIEB C=CCNC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc2c1CCCC2 5815633 SBXYTCWRMQWWSV-UHFFFAOYSA-N 398.528 4.177 30 40 GIEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1 6368490 VTXFPSJCOFINSF-FSJBWODESA-N 377.831 4.378 30 40 GIEB Cc1ccc(Cl)cc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 17209404 GTXAKCPCAFTSHO-UHFFFAOYSA-O 384.862 4.128 30 40 GIEB C=C(C)CN1CCN([C@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20737106 CJICBYGGLMTGMP-QHCPKHFHSA-N 389.499 4.154 30 40 GIEB COc1cc([C@H](C)NC(=O)CCc2ccc(C#N)cc2)ccc1OCC(C)C 32830898 VNFIEVGPSYZWSX-KRWDZBQOSA-N 380.488 4.412 30 40 GIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccccc1 58962488 IMNPXVPGYOHNNJ-HNPUNDFXSA-N 382.485 4.196 30 40 GIEB O=C(Nc1cccnc1)/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccccc1 98055430 IFNJJKIHGZXJDU-BOPFTXTBSA-N 378.815 4.346 30 40 GIEB O=C1C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc2ccccc2N1 103781584 AMDFTORKASKHLG-UHFFFAOYSA-N 378.194 4.403 30 40 GIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224595282 SIVSTBJHQQNPCI-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1 4944953 NFPJMQIEEJKWJD-GOSISDBHSA-N 395.430 4.371 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2C)c1C#N 6966860 VNYKMKADVTUXJU-UHFFFAOYSA-N 375.881 4.101 30 40 GIEB N#Cc1cccnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 7052324 FAOVOPKKXHZPQK-UHFFFAOYSA-N 381.457 4.116 30 40 GIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(F)cc1 12602542 WFBDNGILSBOUOB-ALSYLCBWSA-N 377.391 4.370 30 40 GIEB C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 16125485 KWHZNOPFOIDNIN-IAGOWNOFSA-N 388.307 4.366 30 40 GIEB C/C(=N\CCCCCC/N=C(\C)c1cc(O)ccc1O)c1cc(O)ccc1O 17139323 AXRDETRSRUTCQN-DFEHQXHXSA-N 384.476 4.388 30 40 GIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC 36359844 VYWUUTSDARFKKR-HNNXBMFYSA-N 397.500 4.278 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(-n2cncn2)c(F)c1 48314846 XDRZOPNOYYSAHM-PKNBQFBNSA-N 387.418 4.105 30 40 GIEB C[C@@H](OC(C)(C)C)[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 96179457 BXTAGOHVBJHJCS-QVKFZJNVSA-N 381.472 4.296 30 40 GIEB Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)c1 101650931 FISYBZGAKJTAAC-BFQBXFRASA-N 381.501 4.202 30 40 GIEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224933871 NXDIBKXHKHDUIU-UHFFFAOYSA-N 386.256 4.103 30 40 GIEB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408805053 CUEPETSPHLUODI-UHFFFAOYSA-N 384.868 4.314 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)c1 408893240 LHVZRKPGBSHGTC-QNGOZBTKSA-N 389.451 4.437 30 40 GIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409295085 DAMUJZYNBKYORG-UHFFFAOYSA-N 396.697 4.319 30 40 GIEB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4331714 XTYOJAQMEABFFZ-UHFFFAOYSA-N 398.484 4.081 30 40 GIEB C#CCOc1cccc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1 13989812 GJXLUMKNKGMECJ-UHFFFAOYSA-N 386.451 4.025 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 18206214 NPYYMLOMHCLPCE-QGZVFWFLSA-N 398.256 4.213 30 40 GIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 20171970 BKXOGYZZWFNIQF-IBGZPJMESA-N 398.528 4.058 30 40 GIEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 20518172 LWIRBGUTAVQGHG-FAPYRAKZSA-N 394.427 4.291 30 40 GIEB CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1OC 32115359 KGQXBCBTQOEZCY-CIAFOILYSA-N 385.420 4.497 30 40 GIEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccc3Cl)nc2c1 35291227 XLHWNSXYJHHMHT-UHFFFAOYSA-N 378.863 4.219 30 40 GIEB C#CCOc1cccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)c1 36740518 UVHLQXWMNZBNBO-UHFFFAOYSA-N 391.559 4.405 30 40 GIEB N#Cc1c(F)cccc1N1CCN(Cc2ccccc2Oc2cccnc2)CC1 58104721 DSXOOWLQTWVIJZ-UHFFFAOYSA-N 388.446 4.207 30 40 GIEB CCCCCCCNC(=O)[C@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 98045175 RZCPAQIKRUJDPX-IBGZPJMESA-N 388.895 4.012 30 40 GIEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CCC(=O)N2 98054878 XQUUYAPFYBESPT-PGGKNCGUSA-N 382.773 4.475 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC 409055976 DMZDNYSBSYFFIP-PTNGSMBKSA-N 379.865 4.197 30 40 GIEB N#Cc1cc2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)CCC2 850132 YZFOMTIUFRWMIW-UHFFFAOYSA-N 377.391 4.192 30 40 GIEB CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccc(F)cc2)c(C)c1)C(F)(F)F 2305952 ANBVVBHUUVJMOY-DAFNMPDCSA-N 383.341 4.198 30 40 GIEB C=CCNC(=S)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 4674740 HTXLXAJHXKVFGX-BUVRLJJBSA-N 375.497 4.403 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc3ccccc3c2)c1C#N 6961398 IEWHZNFNIPMJTA-UHFFFAOYSA-N 377.469 4.292 30 40 GIEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(Br)co2)cc1 58412795 SXXQURBZHAEMNF-VOTSOKGWSA-N 387.233 4.251 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 103098337 YHRGAQXDLBZILW-NHFXJNLRSA-N 379.456 4.225 30 40 GIEB COc1ccc(N(C#N)Cc2ccc(Br)cc2C#N)cc1Cl 557790763 XJCVQCJBBDDSNO-UHFFFAOYSA-N 376.641 4.470 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1C 815888 JIVFBDPFSGQWHN-ONTRVFCTSA-N 376.456 4.226 30 40 GIEB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 820515 JHTCGWUJAVRISI-FQEVSTJZSA-N 383.488 4.251 30 40 GIEB CCc1ccc(NC=C2C(=O)CC(c3ccc(OC)c(OC)c3)CC2=O)cc1 2287294 SXUVGDVQHINSMS-UHFFFAOYSA-N 379.456 4.278 30 40 GIEB COc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc(OC)c1 4849032 LBARWSQFRQSJPS-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB CCOc1ccc2nc3c(cc2c1)CN(CCO)/C(=N\c1ccccc1)S3 4858476 AVOMXQNRZBLAGY-QURGRASLSA-N 379.485 4.221 30 40 GIEB O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 6424060 UEHNOJBYERIRME-YDJIHCHBSA-N 399.402 4.011 30 40 GIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 12663022 SNWNNLWPQBAGGK-GRSHGNNSSA-N 382.412 4.284 30 40 GIEB biogenic C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc(Br)cc1F 32679067 HECXTSWMODAGCV-UHFFFAOYSA-N 394.240 4.343 30 40 GIEB CCOc1cc(/C=N\O)cc(I)c1OCc1ccccc1 137787906 KWQIDTPAKFDVSB-ZDLGFXPLSA-N 397.212 4.077 30 40 GIEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC 408809469 HPPFIPALWPTFLZ-LCYFTJDESA-N 382.279 4.242 30 40 GIEB C=CCc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 408820451 XUSNEPITBDTBJH-JJFYIABZSA-N 398.415 4.163 30 40 GIEB O=C(NCc1ccco1)c1c(/N=C\c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 408847112 LNVRKBJQKBGXNC-NHDPSOOVSA-N 399.428 4.402 30 40 GIEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408874672 DXTGFFIRWZXVBN-SSDVNMTOSA-N 379.464 4.154 30 40 GIEB CC1(C)OB(c2cc(Br)cc(OCc3ccccc3)c2)OC1(C)C 725240105 ZHOPFGNGWAAXBS-UHFFFAOYSA-N 389.098 4.327 30 40 GIEB C=CCn1c(N)c(C(=O)NCCCCCCCC)c2nc3ccccc3nc21 2288129 IOERVLJUMXVGPI-UHFFFAOYSA-N 379.508 4.443 30 40 GIEB N#Cc1cc(Oc2ccccc2C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1C#N 2751339 PWAYICHONYWKCY-UHFFFAOYSA-N 384.351 4.383 30 40 GIEB O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl 3219140 ZFYZNMBITRMYSX-UHFFFAOYSA-N 380.614 4.253 30 40 GIEB O=C1N/C(=N/c2cc(Cl)cc(Cl)c2)S/C1=C1\C(=O)Nc2ccccc21 6927933 SMJGVSLRILPJMI-YPKPFQOOSA-N 390.251 4.207 30 40 GIEB COc1cc(/C=N/OCc2nnc(-c3ccc(F)cc3)o2)cc(Cl)c1OC 8394356 GOVPQIMCADRCSS-ZVBGSRNCSA-N 391.786 4.097 30 40 GIEB Cc1cccc(NC(=O)C[C@@H](C)NCCSCc2ccccc2C#N)c1C 9155438 VEQFXKNAZKYUKD-QGZVFWFLSA-N 381.545 4.415 30 40 GIEB C[C@@H](Oc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1)C(=O)O 13140766 AKAKPTCLHWYKMU-SBKJXLNCSA-N 375.218 4.197 30 40 GIEB CC(=O)n1nc(C)c2c1N[C@H](c1ccc(N(C)C)cc1)C1=C2CC(C)(C)CC1=O 16266212 LJRARJLRFCNPDL-OAQYLSRUSA-N 392.503 4.227 30 40 GIEB N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 19891927 XJGASJNOFNLCDL-UHFFFAOYSA-N 394.327 4.460 30 40 GIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)C1 36383349 QXRWTYKHXFRJOY-WMZOPIPTSA-N 392.503 4.349 30 40 GIEB COc1ccccc1CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCO1 40105835 UYJUIDHUTPTSKB-HXUWFJFHSA-N 375.472 4.001 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1ccccc1)C3=O)CN(Cc1ccncc1)CO2 57165166 JDAURVOFKYDRAO-SRZZPIQSSA-N 384.435 4.358 30 40 GIEB N#CCOc1ccc(NC(=O)N2CC(OCc3cccc4ccccc34)C2)cc1 79101066 ZLNFPIKPRGMPEO-UHFFFAOYSA-N 387.439 4.175 30 40 GIEB C=CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(NC(C)=O)ccc21 100703308 BCAVYDUHJKECGD-JZJYNLBNSA-N 391.905 4.303 30 40 GIEB CCCCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N 100934584 MZUOGVQSUUEBQK-UHFFFAOYSA-N 396.626 4.391 30 40 GIEB CCCCCCCCCCCC[N+](C)(C)CCn1cnc2c(N)ncnc21 104183945 JWKNJWAEUKXABH-UHFFFAOYSA-N 375.585 4.406 30 40 GIEB CC(=O)OC1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1=O 118931515 ARFVBIQCDSDJCU-PWKGXFITSA-N 388.504 4.197 30 40 GIEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O 408527813 FQWGVNBQYOOXHX-UNOMPAQXSA-N 376.437 4.360 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 409119934 UQNHVJJPRINKGE-YDZHTSKRSA-N 392.415 4.332 30 40 GIEB CCOC(=O)c1nnsc1Nc1ccccc1/N=C/c1ccc(OC)cc1 1417031 IEDMPFKUKRXZJP-UDWIEESQSA-N 382.445 4.218 30 40 GIEB C=CCN1C(=O)/C(=C2/Oc3ccc(-c4ccccc4)cc3N2C)SC1=S 3208488 IQWAXSJBPQFIPW-ZPHPHTNESA-N 380.494 4.398 30 40 GIEB C=CCOc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OCC 5000708 QLECSIFACWTBOB-LDADJPATSA-N 379.412 4.003 30 40 GIEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(OC)c1 5454916 ARIMUOAESKSPMJ-UHFFFAOYSA-N 377.473 4.308 30 40 GIEB N#Cc1c(SCC(N)=O)nc2c(c1-c1ccc(Cl)c(Cl)c1)CCCC2 5589018 KNCPIQFBDFSJJN-UHFFFAOYSA-N 392.311 4.383 30 40 GIEB CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(C)cc1 5717570 UKUSFYIOXFHOEV-FINLKQIMSA-N 385.435 4.018 30 40 GIEB COc1ccc(OC)c(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)c1 11289489 BNLUXWDJDNLYDS-SOFGYWHQSA-N 379.334 4.101 30 40 GIEB CCOC(=O)[C@@H]1CCCCN1C/C(O)=N/c1c(Cl)cccc1C(F)(F)F 12932542 IBSKSDZHSBTDEY-ZDUSSCGKSA-N 392.805 4.364 30 40 GIEB COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccco1)C3=O 13691029 OEGCCFUZVWNURR-NHDPSOOVSA-N 389.407 4.257 30 40 GIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c1 16810035 RRCYXZJIYIGMAU-OFNOZLENSA-N 379.456 4.249 30 40 GIEB biogenic COC(=O)c1ccc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 17167600 SJHVIOZFDNDZJU-UXTWZOPHSA-N 391.452 4.188 30 40 GIEB C=CCN1CCc2cc(-c3cncn3[C@H](C)Cc3c(C)nn(C)c3C)ccc21 19719372 IEKQKBKOESHVHD-MRXNPFEDSA-N 375.520 4.253 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 19798649 SVGAPJSSFZVHQU-VGSWGCGISA-N 391.442 4.360 30 40 GIEB CC(C)(C)Nc1nc(NCc2ccccc2)nc(N/N=C\c2ccccc2F)n1 33388315 RJKRQQWOVOYMSN-OYKKKHCWSA-N 393.470 4.279 30 40 GIEB CCCN1Cc2cc3c(C)nn(-c4ccccc4)c3nc2S/C1=N\CCOC 35316519 MTNZZSHIMKIQDA-DQRAZIAOSA-N 395.532 4.049 30 40 GIEB C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 65513828 ZKPXVHYASDNEGH-IAGOWNOFSA-N 385.504 4.154 30 40 GIEB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1/N=C/c1cccc(O)c1 102721669 PXSGPUABEDANLH-LKPRLWDLSA-N 376.441 4.112 30 40 GIEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 409373918 WWJUZNQDDFRTRG-FSJBWODESA-N 384.936 4.469 30 40 GIEB Cc1cnccc1CN1CCCC[C@H]1c1csc(=Nc2ccc(C#N)nc2)[nH]1 585293030 CFMYHZSQYHTBNB-FQEVSTJZSA-N 390.516 4.006 30 40 GIEB N#Cc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 671251 WCSATTDLAXFOIT-UHFFFAOYSA-N 381.229 4.491 30 40 GIEB O=[N+]([O-])c1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 2344452 DSGFJXHFTVQCQA-LSCVHKIXSA-N 394.243 4.331 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1 4286036 GHFMLPDHRYIMSB-UHFFFAOYSA-N 378.501 4.424 30 40 GIEB O=[N+]([O-])c1ccc(/N=C(\Nc2ccc(O)cc2)c2ccccc2)c([N+](=O)[O-])c1 4531763 YTWYWIHAVPNRJM-UHFFFAOYSA-N 378.344 4.399 30 40 GIEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccc3c(c2)OCO3)c1C(N)=O 5533498 JTBCUZRSOWVNEG-FOKLQQMPSA-N 378.453 4.226 30 40 GIEB N#Cc1ccccc1NC(=O)CO/N=C/c1cccc(OCc2ccccc2)c1 6579717 QVRKKBUZGRDIEU-MFKUBSTISA-N 385.423 4.126 30 40 GIEB Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2c(Cl)cccc12 11126195 YFOBZVIOSZQGFA-UHFFFAOYSA-N 396.830 4.498 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 59302147 PPXNNLULXJEQPJ-YBFXNURJSA-N 385.767 4.393 30 40 GIEB N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1Cl 79047655 LXGMURKHPBJGKY-UHFFFAOYSA-N 386.864 4.156 30 40 GIEB CN1/C(=C\C(=O)COC(=O)CCOc2ccccc2F)C(C)(C)c2ccccc21 102957915 ABNXGYBJKYJDQB-STZFKDTASA-N 397.446 4.018 30 40 GIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409294412 OOSNUJDMFZIPGI-UHFFFAOYSA-N 376.279 4.226 30 40 GIEB Cc1cc(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccc(Cl)cc2)n1 2267621 LXOMAGFKMLJKCW-UHFFFAOYSA-N 379.851 4.276 30 40 GIEB COc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)C(F)F)cc(=O)c2c1 2285326 BUWOIYXJOBUCKJ-UHFFFAOYSA-N 376.199 4.429 30 40 GIEB biogenic Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)o2)cc1 2625283 OXLONLFSHYCVIH-UHFFFAOYSA-N 384.486 4.146 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1 4699891 PXOKNSOGUQVLAN-UGNPLGLKSA-N 381.501 4.284 30 40 GIEB N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N 4871445 KPXYBFUXNAYDHI-UHFFFAOYSA-N 378.478 4.408 30 40 GIEB C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S 5201061 PDMWHKWVWSYVSS-SFQUDFHCSA-N 399.468 4.432 30 40 GIEB COc1ccc(/C=N/N2C(=O)c3ccccc3O[C@H]2c2ccc(OC)cc2)cc1 5235716 OAOLAGLUPYWHBJ-GVFUYMABSA-N 388.423 4.271 30 40 GIEB CCCn1c(/N=C(\O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)nc2ccccc21 14093650 ANIJKVMJAPOAPW-GOSISDBHSA-N 390.487 4.391 30 40 GIEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc(Cl)c1 22608192 GCMOTIIOQZCRPI-XLKFXECMSA-N 382.773 4.218 30 40 GIEB C[C@H]1CCc2c(sc3ncn4nc([C@@H](C)Oc5ccc(C#N)cc5)nc4c23)C1 2787121 ZYAGNUBWWFUDTF-QWHCGFSZSA-N 389.484 4.475 30 40 GIEB CCCCCCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 8426357 VRPACYVXXWGMHA-UHFFFAOYSA-N 380.558 4.065 30 40 GIEB CSc1nc(NCCCN(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 12016269 HFEQSZQRLNIQDX-UHFFFAOYSA-N 383.565 4.398 30 40 GIEB N#CCCN1N=C(c2ccccc2)/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 13914408 WCRNUGSBNVJVBK-ZROIWOOFSA-N 386.238 4.243 30 40 GIEB COc1ccc(/C=C\C(=O)c2c(OC)cc(OC)c(Br)c2O)cc1 17328284 ATIOPZIMMBXWPT-TWGQIWQCSA-N 393.233 4.077 30 40 GIEB COc1cc(/C=N\Nc2ccnc3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC 33926594 MJXWMBKNTGEPJV-FBHDLOMBSA-N 386.795 4.260 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 100815790 RKXYCCSNGOPIRU-KGENOOAVSA-N 395.440 4.455 30 40 GIEB O=C1CCCC(O)=C1[C@H](c1ccc(Br)cc1)C1C(=O)CCCC1=O 101674142 RIZHCTXLOJJSDW-QGZVFWFLSA-N 391.261 4.036 30 40 GIEB CCOc1cc(C#N)cc(I)c1OCc1cccc(F)c1 216826639 TZBMBXVVCDYVHD-UHFFFAOYSA-N 397.187 4.280 30 40 GIEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(SC)cc1 224989610 JXNUYPUMZLFUAV-UHFFFAOYSA-N 378.475 4.006 30 40 GIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(F)cc1 409086455 VQNIEFNMNSPLPL-ODLFYWEKSA-N 381.403 4.458 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C)c2)c1C#N 409183467 SOFLELSSNJNDDH-UHFFFAOYSA-N 375.881 4.101 30 40 GIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3OC)c(C#N)cc2c1 649521 JPBSWDDFPYRAJM-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 1150958 DWFQXWQVCCPIMY-NDENLUEZSA-N 390.439 4.498 30 40 GIEB CC(=O)/C=C/c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2Cl)cc1 2205975 VYLJXWJINHBRKD-NSCUHMNNSA-N 394.805 4.244 30 40 GIEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2302791 HBLLMWXKXCWBEH-SFHVURJKSA-N 395.551 4.272 30 40 GIEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)ccc1O 2777164 DRXSEFULVFKMPN-KLPPEWMLSA-N 398.484 4.041 30 40 GIEB CCCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccc(C)c1 3333001 DOHOIBLXQCXZEW-UHFFFAOYSA-N 391.500 4.266 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C 4025765 UQWZWQYTKPEDAK-VDLPQLTJSA-N 380.484 4.403 30 40 GIEB biogenic CCn1c(-c2ccccc2)cnc1SCC(=O)N(C)C1(C#N)CCCCC1 7127510 QMQTYVLODVTIFV-UHFFFAOYSA-N 382.533 4.347 30 40 GIEB N#CCCn1cc(-c2csc(CC(=O)NCc3ccco3)n2)c2ccccc21 12735295 FBKDRUNIJJWEJJ-UHFFFAOYSA-N 390.468 4.130 30 40 GIEB CCOC(=O)c1c(C)oc2c1/C(=C/NCc1ccco1)C(=O)c1ccccc1-2 100752563 AQSFUKMTEHJQDG-ATVHPVEESA-N 377.396 4.352 30 40 GIEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225092346 OVNSSNWEIREQLF-UHFFFAOYSA-N 390.461 4.072 30 40 GIEB C=CCOC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226345441 SNKFFADJGYSHTF-UHFFFAOYSA-N 392.205 4.279 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccco1 409326501 LBDWNYLIOQJRKR-FGGOJBMMSA-N 386.249 4.252 30 40 GIEB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccccc1C#N 3386286 JNIIDMQBOHAGFW-GFCCVEGCSA-N 397.891 4.126 30 40 GIEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(Br)c1O 4714013 JEVAQIMKAHCPQF-CAOOACKPSA-N 378.251 4.219 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccs1 12787444 RBQJVKJALBHDOJ-JOCHJYFZSA-N 392.528 4.314 30 40 GIEB N#Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 12981167 LAZCNWMFCQZZCR-UHFFFAOYSA-N 388.452 4.061 30 40 GIEB C=CCSc1nc(O)c2c(n1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1 17243117 VQTUIHAFJXFTBJ-INIZCTEOSA-N 397.500 4.243 30 40 GIEB C/C(=N/OC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1)c1ccccn1 22022920 SZMSSLXKZDHIHN-CFRMEGHHSA-N 382.851 4.178 30 40 GIEB N#CC1(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 22112805 GKHCMGYRBHPZGD-UHFFFAOYSA-N 394.315 4.446 30 40 GIEB N#Cc1c(NC(=O)c2ccn(COc3ccc(F)cc3)n2)sc2c1CCCC2 28230489 PATKVQHCVJCNIK-UHFFFAOYSA-N 396.447 4.123 30 40 GIEB CC(C)(C)n1nnnc1[C@@H](c1ccc(C#N)cc1)N1CCCC2(CCCCC2)C1 57710558 XRUBVUARCYWWMP-HXUWFJFHSA-N 392.551 4.435 30 40 GIEB COc1cc(-c2ccccc2)sc1C(=O)N1CCc2c(sc(N)c2C#N)C1 89429374 PTTMOEHFDOGSIC-UHFFFAOYSA-N 395.509 4.138 30 40 GIEB Cc1cccc(CSc2nc(N)c(C#N)c(COc3ccc(F)cc3)n2)c1 223689588 KVPFNNIYRQEPBA-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)c1 408768337 IAURARMUZAXSMR-QNGOZBTKSA-N 389.451 4.437 30 40 GIEB Oc1c(Br)cc(/C=N/Nc2ccccc2)c(O)c1Br 409179409 MWELHSMEZUKOFH-FRKPEAEDSA-N 386.043 4.069 30 40 GIEB Cc1ccc2cc(C#N)c(NCCCN=[S@](=O)(O)c3ccc(F)cc3)nc2c1 409416056 WTMYSDQWEWRQKR-UHFFFAOYSA-N 398.463 4.356 30 40 GIEB N#Cc1c(F)cc(CN=c2nc(-c3cc(Cl)cc(Cl)c3)[nH]o2)cc1F 600850623 FCJFPJHIJCNWGY-UHFFFAOYSA-N 381.169 4.227 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1OC 12859543 YYAOTLRTESFDPG-ODLFYWEKSA-N 382.412 4.272 30 40 GIEB biogenic CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960144 BIZNIRPTFDDRCE-KZULUSFZSA-N 396.447 4.148 30 40 GIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1SC1CCCC1 32817576 MJIBDFROLOKICQ-UHFFFAOYSA-N 395.528 4.469 30 40 GIEB O=C(O)C(C(=O)/C=C/c1ccc(Br)s1)=C1SCCCS1 62716099 AATFLRXVRGBDMO-DUXPYHPUSA-N 391.333 4.259 30 40 GIEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)CN2C(=O)CCCc3sccc32)cc1 66396619 WYXAXXJWJHMDNH-KRWDZBQOSA-N 395.528 4.096 30 40 GIEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N\c2ccccc2)NC1=O 98086507 AHKRHXYNQCMCCY-QGOAFFKASA-N 396.472 4.333 30 40 GIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 408560195 DDVXWPKDEVRCAE-UHFFFAOYSA-N 378.929 4.499 30 40 GIEB CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731351 LXTARZMVBPEHEM-QFIPXVFZSA-N 394.471 4.223 30 40 GIEB Cc1c(Cl)cccc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409357407 QFXMMASADRIXEF-UHFFFAOYSA-N 379.803 4.206 30 40 GIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=S)NC1CCCCC1 3283656 PGUSVQIIJSPRTR-SRZZPIQSSA-N 393.919 4.104 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 4119652 GEMSDVYZWVGUAM-FPOVZHCZSA-N 379.412 4.223 30 40 GIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C1 4313057 QXRWTYKHXFRJOY-FUHWJXTLSA-N 392.503 4.349 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 4996594 FULNHLGSXPDGAA-VGLIXDPASA-N 391.855 4.069 30 40 GIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)n1 5813259 UGXOZDUQRMSDPV-GOSISDBHSA-N 376.437 4.234 30 40 GIEB COc1ccccc1NC(=O)COc1nc(-c2ccccc2)c2c(c1C#N)CCC2 12324908 IECFDEYWDCEOEH-UHFFFAOYSA-N 399.450 4.135 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1F 13482372 BMWNXJGSLDSXRS-FOPRYUNUSA-N 380.419 4.057 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1C 14081890 LCYWSFDENJNZDC-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB Cc1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nn1-c1ccc(F)cc1 15190932 WPRDOQHSDTUGJD-UHFFFAOYSA-N 398.397 4.473 30 40 GIEB CCCC(=O)OCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19794144 FSMCZJKWVIBCPQ-UHFFFAOYSA-N 390.896 4.146 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 20028806 NSJOQMXFJKLICJ-HXUWFJFHSA-N 384.907 4.320 30 40 GIEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COCc2ccccc2Cl)c1C 72292288 MNDYIGXPMWVNFB-UHFFFAOYSA-N 394.862 4.170 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)o2)cc1 408907999 AEVVXZZXFKZDBF-BKUYFWCQSA-N 379.372 4.478 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(CC)cc3)NC1=O)OCO2 409099769 LLYQOEKLFOCAFM-VXLYETTFSA-N 396.468 4.268 30 40 GIEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OC)c1C 409405210 NJTVMRNXVHRSDW-UHFFFAOYSA-N 399.450 4.271 30 40 GIEB Cc1ccc(Cl)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086868829 QACLPDDRNVUEBP-GASCZTMLSA-N 395.919 4.097 30 40 GIEB N#Cc1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1 3406643 PBVPKCHUFQOIHA-UHFFFAOYSA-N 376.481 4.059 30 40 GIEB CCc1sc(C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1C 12806125 GXPSMRMHFHQSBJ-UHFFFAOYSA-N 384.501 4.339 30 40 GIEB CN(C)c1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19805792 KJVVUJXSGKSTKM-SZXQPVLSSA-N 398.554 4.494 30 40 GIEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 35043475 DRVCAUJCOAXISK-SFQUDFHCSA-N 380.425 4.032 30 40 GIEB CC(=O)O[C@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 55243878 HJMJDULWIZHBIX-DNQXCXABSA-N 376.500 4.177 30 40 GIEB biogenic Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2SCCC#N)c1 95953453 MVOBNLSQWOCVFO-UHFFFAOYSA-N 399.541 4.311 30 40 GIEB C=C(C)COc1cccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 96237523 XYAOQQCFCLEQGX-UHFFFAOYSA-N 383.835 4.275 30 40 GIEB C=CC/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1cccnc1 103371540 CLIHNYGENLJNGE-WUHDDMPHSA-N 399.317 4.343 30 40 GIEB CCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1 3018815 UNQHKCUXHVFJLV-IBGZPJMESA-N 395.484 4.156 30 40 GIEB O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 3138645 GOAOUFOPIHCBMP-UHFFFAOYSA-N 380.263 4.489 30 40 GIEB CC/N=C1\S[C@@H](Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC 6348074 YFYOFBDCFIHQPS-XHEFNCKESA-N 386.492 4.287 30 40 GIEB Cc1ccc2nc(COc3ccc(C(=O)NCC#Cc4ccccc4)cc3)cn2c1 12547613 MEYPZAWPIHKICI-UHFFFAOYSA-N 395.462 4.003 30 40 GIEB Cc1nc(COc2cccc(C(=O)OCCOc3ccc(C#N)cc3)c2)cs1 17737647 KVXNQXPWMKDVLZ-UHFFFAOYSA-N 394.452 4.138 30 40 GIEB C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1cccc(C#N)c1 40155787 NUYBYZCXFYMNHG-ZDUSSCGKSA-N 394.418 4.491 30 40 GIEB CC(C)c1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 84622397 HWEXQNPWNAOAQU-FNORWQNLSA-N 391.874 4.069 30 40 GIEB C/N=C1/S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1C 408852919 XGFKMXPGFLSYLU-UOJKDHGMSA-N 377.263 4.241 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 408998105 IACCLTBMHXXZIV-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 409090716 NXXPSVUTUPYARH-VBKFSLOCSA-N 384.229 4.358 30 40 GIEB CC(C)C(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1400717 ZQOPAEIXHLOFJY-XLNRJJMWSA-N 391.254 4.444 30 40 GIEB O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 2221885 IGFFAAXTBVFRIV-UHFFFAOYSA-N 384.844 4.343 30 40 GIEB Cc1cccc(C(=O)N[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C(C)C)c1 3411167 RCGFEYIXPUQEHP-IBGZPJMESA-N 395.528 4.200 30 40 GIEB CCOC(=O)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccccc13)C2=O 9422831 OPUIXXXAKQMIGH-SRZZPIQSSA-N 391.423 4.219 30 40 GIEB Cc1nnc(Sc2ncc(-c3ccc(Br)cc3)[nH]2)c(C#N)c1C 12525209 DMBUKINNPQWBIX-UHFFFAOYSA-N 386.278 4.269 30 40 GIEB C=C(C)[C@H]1CC=C(/C=N/n2c(O)nc3c([nH]c4ccc(Cl)cc43)c2=O)CC1 17112802 NNCVNBRMBRECBB-LKYUAURQSA-N 382.851 4.373 30 40 GIEB COc1cc2c(c(OC)c1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 18200502 AGNDVXOOOFFTGZ-OAQYLSRUSA-N 395.455 4.286 30 40 GIEB CC(=O)c1cc(C#N)c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc1C 24107754 ODQJGTBRXNWGAU-FQEVSTJZSA-N 393.512 4.310 30 40 GIEB C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 40155790 JDWZTAFVIVDUTC-CYBMUJFWSA-N 394.418 4.491 30 40 GIEB N#Cc1cccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)c1 67260740 VKYIKNYECCOXHX-UHFFFAOYSA-N 376.419 4.236 30 40 GIEB N#C[C@@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)c1c(Cl)cccc1Cl 1613834 UORPQFNFXXOTQB-INBLFIHXSA-N 391.298 4.111 30 40 GIEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCCC3 4549918 BOHMMRNBWKACGB-UHFFFAOYSA-N 399.541 4.216 30 40 GIEB N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 4691583 DIKNWXWXZZUNOE-ZHACJKMWSA-N 378.482 4.354 30 40 GIEB C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)s1 9087978 ODTVJCZOPUWBBN-UHFFFAOYSA-N 393.877 4.137 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C2\CCCC[C@H]2C2CCCCC2)cc1[N+](=O)[O-] 13144770 OORHLORIUYXOBG-DMEQXSTQSA-N 393.509 4.308 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 16995291 ZRIJEZJWHILNFX-VBKZILBWSA-N 394.837 4.486 30 40 GIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c1OC 20611187 NHSHWZKPAMCNTE-MOSHPQCFSA-N 395.455 4.012 30 40 GIEB biogenic CCC(=O)N1CCN(c2c(Cl)ccc3sc(N/N=C(\C)CC)nc23)CC1 72230165 QNWVTJQCYOGAPI-CIAFOILYSA-N 393.944 4.206 30 40 GIEB O=C1C(O)=C/C(=N/c2ccc(I)cc2)c2ccccc21 100461258 SBTDSRDGSSIGQB-JXAWBTAJSA-N 375.165 4.050 30 40 GIEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=N/CCCN(CC)CC 101748203 AUDPRFBFZFCPOL-PXLXIMEGSA-N 399.564 4.291 30 40 GIEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)COc1ccc(Cl)cc1Cl)C[C@]32C 245241899 SVEFWROYAQKXMX-GBRSUSRYSA-N 379.287 4.303 30 40 GIEB CCOc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OC 408912129 PQBFMRLJTOFBAX-UHFFFAOYSA-N 387.229 4.319 30 40 GIEB C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C#N)c1ccc(OCc2cccnc2)cc1 596134111 DKWPCXKKYDAYCZ-SCWSEQNSSA-N 378.476 4.103 30 40 GIEB Cc1cc(C)nc(/N=C(/NC(=O)c2ccc(Cl)cc2)Nc2ccccc2)n1 2318084 GJFARTIKXIYYEC-UHFFFAOYSA-N 379.851 4.276 30 40 GIEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 4739385 KIAGMEGXWGZTSQ-VCHYOVAHSA-N 394.225 4.211 30 40 GIEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccc(C)cc2C)cc1 5072131 FEVYXGUIFIEGRU-KLJCGYQJSA-N 381.501 4.166 30 40 GIEB Cc1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc(C)c1O 6023495 OHPAVQYKYVBPJP-UHFFFAOYSA-N 380.469 4.257 30 40 GIEB Cc1ccc(N)c(/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 6275864 QWPOEBVSWNTVCP-BSYVCWPDSA-N 391.387 4.258 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 12345955 ZLIRGENKUOILJW-SVGJNIJCSA-N 397.490 4.414 30 40 GIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 100815553 GSILOJFBSLLVMV-OVCLIPMQSA-N 390.208 4.483 30 40 GIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C)c(Cl)c1)C(=O)N2C1CSC1 223725158 KNQLPSNFXGEWDW-NMWGTECJSA-N 385.920 4.489 30 40 GIEB Cc1sc(NC(=S)NC(=O)c2ccc(Br)cc2)c(C#N)c1C 408624090 AZRRLZSXXHGJEU-UHFFFAOYSA-N 394.319 4.126 30 40 GIEB COc1cc(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 409090096 QMCYCDMEYVDLIE-CGOBSMCZSA-N 390.159 4.023 30 40 GIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C(=O)N1CC 409212950 SMPXNBMBXYPUHX-VOSKWGSBSA-N 397.500 4.104 30 40 GIEB N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1NCCCn1ccnc1 8845644 ZXRCOHSZFUBJBD-UHFFFAOYSA-N 383.455 4.425 30 40 GIEB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)c1 13424110 KUWVLSMHCZTJSK-NKWDDMGQSA-N 397.500 4.066 30 40 GIEB O=C(O)C(/C=C(\O)c1ccc([N+](=O)[O-])cc1)=N\c1cccc(C(F)(F)F)c1 17146813 FAHHTBNPAWKMSV-UQIFCHBJSA-N 380.278 4.370 30 40 GIEB CCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12 20840606 DHVXLKRHUDVNSY-UHFFFAOYSA-N 391.283 4.433 30 40 GIEB COc1cc(C#N)ccc1OCCN(Cc1cccc(C)c1)Cc1ccccn1 72308331 IXDASDHJUKPHHY-UHFFFAOYSA-N 387.483 4.352 30 40 GIEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN)n2)cc1 94992846 KMWKESZEWYDBHO-UHFFFAOYSA-N 379.407 4.255 30 40 GIEB COc1cc2c(cc1OC)C(=O)/C(=C/C1=CCN(Cc3ccccc3)CC1)C2 95079945 COHPXOXOTGQWNU-UDWIEESQSA-N 375.468 4.201 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1c2ccccc2cc2ccccc12 408872207 BBQKUOPRSPNSMM-PYSZQBSGSA-N 392.458 4.380 30 40 GIEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc(Cl)c1O 1791111 KSVNIPMBDPMUPQ-UFFVCSGVSA-N 376.243 4.244 30 40 GIEB CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)cc1 3565258 DPUBETLVSBZATB-CQSZACIVSA-N 389.484 4.163 30 40 GIEB C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccccc2F)c1C 6128993 CJBQZLCRKAEVDC-UHFFFAOYSA-N 384.480 4.294 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 6293433 NPYYMLOMHCLPCE-KRWDZBQOSA-N 398.256 4.213 30 40 GIEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc4ccccc34)c3n2CCC3)cc1 6846166 QVNJJWNSUYDQAE-UHFFFAOYSA-O 398.486 4.189 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1cccnc1 8471886 MXKRGZQJGMRIDF-INIZCTEOSA-N 393.516 4.060 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 14091529 SYXBZFWNTQGSOH-KRWDZBQOSA-N 392.528 4.024 30 40 GIEB O=C(COc1ccc2ccccc2c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 15906706 OJFNEDMUPIQJQK-RFBIWTDZSA-N 393.446 4.490 30 40 GIEB C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1OC 40267502 KHEMYGVSYGXRKX-QGZVFWFLSA-N 391.402 4.156 30 40 GIEB COC(=O)c1ccc(C)c(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59249271 OMLIUGOUCHUURY-RGVLZGJSSA-N 391.265 4.488 30 40 GIEB CCOc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(Br)c1OC 96920990 MPGDJLYIXGBETB-VIZOYTHASA-N 391.217 4.178 30 40 GIEB Cc1nc2ccccc2n1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 101544956 DOCMIYIGBNNFRM-XTQSDGFTSA-N 375.453 4.029 30 40 GIEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106683787 WBSBFZKKVBPXMQ-BOPFTXTBSA-N 384.844 4.479 30 40 GIEB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408814794 SGGQQRGYVWADRS-UHFFFAOYSA-N 384.868 4.314 30 40 GIEB Cc1sc(NC(=O)CSc2nnc3sc4ccccc4n23)c(C#N)c1C 1804874 SHNUEAMUNBINOX-UHFFFAOYSA-N 399.526 4.225 30 40 GIEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(F)cc1 4934974 SKZAEPYYNKXXRD-XPWALMASSA-N 381.447 4.224 30 40 GIEB N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 6634585 SPNQOCNCGDGYTQ-UHFFFAOYSA-N 395.806 4.278 30 40 GIEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1cccc(Cl)c1 13777700 NKRIAFDZERPADS-UHFFFAOYSA-O 387.290 4.334 30 40 GIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 45244762 NXTBXUJOVLKSAQ-LLVKDONJSA-N 389.550 4.010 30 40 GIEB COc1ccc(O)c(/C=N/n2c(-c3ccco3)cs/c2=N/c2cccnc2)c1 102636977 MWZIOKXOSPAGBC-UHMCFJCPSA-N 392.440 4.033 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)cc1Cl 223753849 JAURDUIRJQDRCY-XLNRJJMWSA-N 375.856 4.066 30 40 GIEB C#CCOC(=O)c1ccc(Br)c(-c2cc3ccccc3oc2=O)c1 226357606 AIPMVOMWNSFCQB-UHFFFAOYSA-N 383.197 4.013 30 40 GIEB CCOC(=O)c1sc(=S)n(CC)c1/N=C(\O)c1cccc([N+](=O)[O-])c1 2316228 DOEKJGDXCYNWPE-UHFFFAOYSA-N 381.435 4.020 30 40 GIEB COc1ccccc1/C=N/Nc1ncc(-c2cc3ccccc3oc2=O)s1 4599219 QDDJJMAEWQLCSS-SSDVNMTOSA-N 377.425 4.371 30 40 GIEB C=CCc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc(OC)c1O 5007650 FSPJEWNDPOTYNH-BOPFTXTBSA-N 384.432 4.160 30 40 GIEB CCCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC 7586474 RAHDABXDLXTSPE-XBXARRHUSA-N 399.462 4.356 30 40 GIEB O=[N+]([O-])c1ccc(/C=N\Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 17175269 RSFSFEAIWWCIBX-BKUYFWCQSA-N 386.371 4.153 30 40 GIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)s1 18200805 QJNPVNBKCHTZSD-GOSISDBHSA-N 377.469 4.100 30 40 GIEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 19901449 WLDZQMGFZFFYMS-FCEUIQTBSA-N 390.637 4.334 30 40 GIEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC 20196535 PELMYSPGDKJWNF-YDZHTSKRSA-N 392.883 4.278 30 40 GIEB COc1ccc([C@@H](CNc2oc(-c3ccccc3F)nc2C#N)N(C)C)cc1 27793556 IXSLMRJZYWQLNH-LJQANCHMSA-N 380.423 4.076 30 40 GIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408587338 FKPQTHVEKJYXKL-YDZHTSKRSA-N 387.443 4.203 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc(C)c1 408751275 YTMZJIWGQWFJDG-FMCGGJTJSA-N 392.415 4.332 30 40 GIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 4681040 CGTGMNJQKCHQBI-BWORXHKJSA-N 387.892 4.320 30 40 GIEB CN1/C(=C\C(=O)COc2ccc3ccc(=O)oc3c2)C(C)(C)c2ccccc21 5689223 LJKYYTVSCAYWRM-MTJSOVHGSA-N 375.424 4.052 30 40 GIEB COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1O 5752471 ANLAVYGXYIXQSU-GFUUNDCYSA-N 388.423 4.116 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5900371 NQCYXAMEAOZOSD-JAIQZWGSSA-N 397.427 4.161 30 40 GIEB biogenic CCN/C(S)=N/N=C\c1ccc(OCc2cccc(Cl)c2)c(OC)c1 12374201 KJPKJMYZFCHFEJ-NHDPSOOVSA-N 377.897 4.157 30 40 GIEB COc1ccc(O)c(/C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 16920298 HOZUZQCGQCUPSG-HMAPJEAMSA-N 396.468 4.261 30 40 GIEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(N2CCOCC2)c(F)c1 40139765 XUGBOMHRIJTICI-FNORWQNLSA-N 395.459 4.077 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1)n1ncc(C(=O)Nc3ccccc3)c1N2 44858844 NOQLAZFRKRIWPU-OAQYLSRUSA-N 384.439 4.157 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 102886141 IIIZRFIYYUIZJQ-LFVOPCPISA-N 392.386 4.057 30 40 GIEB C=CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1cccnc1 103371531 IIKMZKGDBBEQGQ-WUHDDMPHSA-N 399.317 4.343 30 40 GIEB C#CCOc1c(CC=C)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1OCC 408930787 CASALUMDEJQCNJ-WYXKWXERSA-N 398.528 4.138 30 40 GIEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccccc2C#N)C(=O)N1CC 408931770 QCASUODIBRURIZ-ATAQLJSPSA-N 391.496 4.449 30 40 GIEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OC(C)C 409098910 MQWBAAXDIDVVNI-KEBDBYFISA-N 378.816 4.275 30 40 GIEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC#N 409272962 IQVVVURMAZXVLN-WSDLNYQXSA-N 378.457 4.476 30 40 GIEB CCOC(=O)C(C#N)(CC(=O)c1ccc(C)cc1)CC(=O)c1ccc(C)cc1 1775966923 PMSXGIIMASKGMW-UHFFFAOYSA-N 377.440 4.222 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c(C)[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 1076136 FCOUKASFGHPMJS-OAQYLSRUSA-N 392.430 4.143 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 3166258 VXKGDCOMRDIQGL-UNMCSNQZSA-N 380.440 4.023 30 40 GIEB CC(=O)S[C@H]1CC(=O)C=C2CC[C@H]3[C@H]4CCC(=O)O[C@]4(C)CC[C@H]3[C@]21C 4429076 LKDYVUDIVKQQJE-MJNRMZHSSA-N 376.518 4.072 30 40 GIEB CCc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 5406141 XVOGQCXUDAIBGE-QFIPXVFZSA-N 376.481 4.467 30 40 GIEB CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(C)cc2)n1 19794140 OQRKFBGAHLGHRY-UHFFFAOYSA-N 384.505 4.047 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(CCC)C1 72391184 NDIKDDLJJHWHOZ-XMMPIXPASA-N 377.532 4.086 30 40 GIEB N#Cc1cc(NC(=O)NCCc2ccc(F)cc2Cl)c(Cl)c([N+](=O)[O-])c1 89768491 TWIXVBXMSQVCTQ-UHFFFAOYSA-N 397.193 4.277 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1 101650784 JIIBMUKUYYJQJF-VCGVYRDQSA-N 395.528 4.456 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 102930955 PSSNVUJEAOKSPK-LFVOPCPISA-N 399.512 4.330 30 40 GIEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc(C)cc1 224697925 HUXYXDHQQZYUHQ-UHFFFAOYSA-N 393.892 4.206 30 40 GIEB COc1c(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cccc1[N+](=O)[O-] 227149350 DSHSUXFXTGYJDY-UHFFFAOYSA-N 375.336 4.326 30 40 GIEB Cc1ccc(NC(=O)COc2ccccc2/C=N/OCc2ccccc2C#N)cc1 408594092 FIZFKHZPAWKVOU-CVKSISIWSA-N 399.450 4.435 30 40 GIEB COc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C 409123350 FUOGVWVBFFIGLT-YBEGLDIGSA-N 386.860 4.057 30 40 GIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(O)cc1 409281503 MPFLDAGWTXQRLA-UHFFFAOYSA-N 381.391 4.398 30 40 GIEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O 629612 HUQDTBSIDBRMSD-UHFFFAOYSA-N 393.512 4.116 30 40 GIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)cc2)C1=O 669484 KFTCOVFKMYIYLR-GHRIWEEISA-N 381.453 4.239 30 40 GIEB O=C1c2ccccc2C(=O)N1/N=C/c1sc(Nc2ccccc2)nc1Cl 2657765 XXWSBXFDSRXQQN-KEBDBYFISA-N 382.832 4.170 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 3166255 VXKGDCOMRDIQGL-IRLDBZIGSA-N 380.440 4.023 30 40 GIEB Cc1cc(Br)cc(Cl)c1OCC(=O)NC1(C#N)CCCCC1 5168681 RSKNLNCVLKHZIF-UHFFFAOYSA-N 385.689 4.132 30 40 GIEB C=CCN1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Cl)SC1=S 7743920 YMHMEBPVAUPAEY-UVTDQMKNSA-N 375.906 4.221 30 40 GIEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763615 DDVAWQRVWCOKEW-UHFFFAOYSA-N 387.515 4.005 30 40 GIEB CCCCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 12377720 LZWJUSCKNNMNAA-NKWDDMGQSA-N 381.501 4.129 30 40 GIEB CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccc(C)c(C)c3)NC1=O)OCO2 18254935 KOGNTWVCSHFSQZ-DJKKODMXSA-N 396.468 4.322 30 40 GIEB COc1ccc(/C=N/N=C2\NC(=O)/C(=C/c3ccccc3)S2)c2ccccc12 59488910 STDKNWDYOCPENR-XWIPEQAGSA-N 387.464 4.442 30 40 GIEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)CC[C@](Cl)(C(=O)OC)C1=O 100705354 RWCAQFKEUFLKTP-YLJYHZDGSA-N 386.916 4.175 30 40 GIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)SC1=S 408820655 XTYNNIREZBGBKU-BOPFTXTBSA-N 398.509 4.180 30 40 GIEB CN(C)N1C(=O)C[C@H](c2ccc(F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1432871 SLTFKUGIBYNLBL-PKOBYXMFSA-N 378.447 4.019 30 40 GIEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 2041226 NSBRKSWSLRQPJW-ZXJYCPGTSA-N 396.487 4.354 30 40 GIEB biogenic C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCC=C 2081112 DUQVCKAQPGXESZ-PDGQHHTCSA-N 379.387 4.300 30 40 GIEB COc1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1 2320327 CMSFCACNWTZIKA-UFFVCSGVSA-N 383.395 4.043 30 40 GIEB Cc1ccc(O)c(/C(=N/O)c2ccc(/C(=N\O)c3cc(C)ccc3O)cc2)c1 6189438 VKVPBCOFFXEWSX-MBALSZOMSA-N 376.412 4.168 30 40 GIEB COc1cc(C#N)ccc1OC(=O)COc1ccc(OCc2ccccc2)cc1 6310175 PFKQXLDJODNAQQ-UHFFFAOYSA-N 389.407 4.130 30 40 GIEB N#CCCN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 12533590 OXRKOBBWVPGVEG-UHFFFAOYSA-N 388.855 4.394 30 40 GIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(c2ccc(F)cc2F)CO1 13692851 CYIIFLSPMQIBRR-UKWGHVSLSA-N 392.361 4.333 30 40 GIEB Cc1n[nH]c(=S)n(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1=O 18192503 VOZITHGWFDWCDX-CNHKJKLMSA-N 381.244 4.058 30 40 GIEB N#Cc1cccc(Oc2cccc(C(=O)OCC(=O)c3cccs3)c2)c1C#N 35140522 OBTIJJPEZIYOHI-UHFFFAOYSA-N 388.404 4.323 30 40 GIEB CN(C)c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1[N+](=O)[O-] 408720799 DLBZTCCJXOAXRA-FYJGNVAPSA-N 375.388 4.319 30 40 GIEB C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccc(Cl)cc1 6071399 LKDQAWYVIBYYNO-UHFFFAOYSA-N 389.864 4.456 30 40 GIEB CN(C)c1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1 6419274 SWRJXRRHRROCIN-HSZRJFAPSA-N 397.478 4.401 30 40 GIEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 9110874 UKVGNLXOXJGHQC-NRFANRHFSA-N 385.419 4.478 30 40 GIEB C=CCn1c(SCC(=O)NC(=O)NCCC2=CCCCC2)nc2ccccc21 12648388 XUHKVJNDBRXCAZ-UHFFFAOYSA-N 398.532 4.031 30 40 GIEB COc1ccc(/C=N/n2cnnc2SC)cc1COc1cc(C)ccc1C 36611391 YDLRBWNTACAKLF-SSDVNMTOSA-N 382.489 4.087 30 40 GIEB O=C(/N=C(/N=C(\c1ccccc1)N1CCOCC1)c1ccccc1)c1ccccc1 104210705 FJMXHQHBQGWAQX-FBQPMGKKSA-N 397.478 4.053 30 40 GIEB COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C)cc1Br 409220831 GMJXVRYXKNBYTP-BKUYFWCQSA-N 389.293 4.353 30 40 GIEB COc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Br 512336526 CWCIZZIJTPGOIR-UHFFFAOYSA-N 391.240 4.385 30 40 GIEB Cc1ccc(S(=O)(=O)OCC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 1857775630 RKVRZCAYSKQLMS-QAQDUYKDSA-N 397.537 4.174 30 40 GIEB Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccnc2)c(C)c1 852293 SCRJCXYVJRXDPF-NRFANRHFSA-N 399.450 4.185 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(C)cc1 3286459 UWTGKCOXRBUPCM-UHFFFAOYSA-N 399.907 4.219 30 40 GIEB COc1ccc(Br)cc1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 4921033 IOVMTZMIFXMOLB-QGMBQPNBSA-N 383.629 4.255 30 40 GIEB COc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1OC 5408924 JMYOPYUEBYVAQY-WYMPLXKRSA-N 386.411 4.141 30 40 GIEB CCOC(=O)Cn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8811577 JCDZCIUWZHHCLU-ZMOGYAJESA-N 383.879 4.290 30 40 GIEB COc1ccc(Cl)cc1CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14315194 XKOPZRUCDSILCN-CIAFOILYSA-N 389.839 4.408 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 16788622 WABUBHYVSYTLRU-UHFFFAOYSA-N 399.907 4.300 30 40 GIEB O=[N+]([O-])c1ccc([C@H]2C3=C(CCC/C3=N\Nc3ccccc3)O[C@H]2[N+](=O)[O-])cc1 100482559 PCCWWUSSXJZSRG-CLPUROSNSA-N 394.387 4.218 30 40 GIEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218237322 GSLJDNRDKBGXJH-HRCADAONSA-N 396.693 4.182 30 40 GIEB C=CCOc1cccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)c1 225628402 QOUJLRLRYNJQNW-UHFFFAOYSA-N 386.517 4.188 30 40 GIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)N1CC 408778303 CZZOKEYCPKQONA-GTQPVGENSA-N 398.488 4.314 30 40 GIEB CCOC(=O)Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409109115 XYJAMYHJTLTWQU-PGGKNCGUSA-N 390.365 4.064 30 40 GIEB NC(=O)Cn1cc(/C=N/c2ccc(Br)c(Cl)c2)c2ccccc21 409384806 DIEIRLINELHGKI-ODCIPOBUSA-N 390.668 4.293 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)c(Cl)c1 1531383601 NURZFJJODGTMPY-YDZHTSKRSA-N 375.815 4.305 30 40 GIEB Cc1cc(C)nc(/N=C(/NC(=O)C(C)(C)C)Nc2cccc(C(F)(F)F)c2)n1 2353624 LAZYMYCMUOBYEF-UHFFFAOYSA-N 393.413 4.374 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O 4869634 SGZYMNZLXIYDLF-YGAJUMRDSA-N 398.507 4.136 30 40 GIEB COc1cc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc(OC)c1OC 5175270 MRCXESQHSDPAHK-NSHDSACASA-N 386.473 4.023 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1C1CCCCC1 6313077 ORYPCEUGGJNVFI-UHFFFAOYSA-N 381.505 4.114 30 40 GIEB O/C(COc1ncnc2ccc(Br)cc12)=N\c1ccc(F)c(F)c1 7653228 RZQHHXSAYRRYMF-UHFFFAOYSA-N 394.175 4.338 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCN21 12631432 YJIXINHNAUQTTF-ZJSXRUAMSA-N 394.482 4.044 30 40 GIEB COc1cc2c(c(OC)c1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 18200049 LXPOYTRTTMEZTP-IBGZPJMESA-N 380.400 4.177 30 40 GIEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 20636584 GRQGZIWEGZXHHH-VWLOTQADSA-N 395.462 4.140 30 40 GIEB N#CC1(NC(=O)CNc2cc(Cl)c(OC(F)F)c(Cl)c2)CCCCC1 40149507 CCMYTABTBKWSPO-UHFFFAOYSA-N 392.233 4.349 30 40 GIEB C=CCn1/c(=N/C(=O)CCSc2ccccc2)sc2cc([N+](=O)[O-])ccc21 100875930 KUVAWVWGMWHVAF-VXPUYCOJSA-N 399.497 4.407 30 40 GIEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408851364 BZRQBUSYNASAGW-UHFFFAOYSA-N 375.218 4.267 30 40 GIEB Cc1cc(C)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)c1 409289714 HTEOGETUUHMMGZ-UHFFFAOYSA-N 384.277 4.275 30 40 GIEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3ccncc3)cs2)c1 585294925 LPTSKIQEHKMTGN-SFHVURJKSA-N 376.489 4.276 30 40 GIEB CC(=O)Nc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 1403819 FKFVNEMKVJISPX-UHFFFAOYSA-N 377.425 4.184 30 40 GIEB O=C(O)CSC1=CC2=N[C@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=CC1=O 2109719 WPYJKQMHFATMFE-SZNDQCEHSA-N 384.501 4.030 30 40 GIEB biogenic CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(Cl)cc2)C(=O)C1 3188661 VEKPUZAPRLVZDF-UHFFFAOYSA-N 381.863 4.459 30 40 GIEB Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 4541484 CQPKJFAEAYULBN-QGZVFWFLSA-N 387.439 4.150 30 40 GIEB O=C(/C=C/c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1)c1ccccc1 5003358 TWOZFDGICKKBBK-FMIVXFBMSA-N 398.374 4.292 30 40 GIEB Cc1ccc(-c2cc(C(=O)OCC#N)c3sc(N4CCCCC4)nc3n2)cc1 7082739 HITMLDWKWSVUOI-UHFFFAOYSA-N 392.484 4.337 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 105453674 RPVVKRJNUZCIMN-UHFFFAOYSA-N 390.524 4.069 30 40 GIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218425096 HZJXTKDOBHYSHP-FKBYEOEOSA-N 383.513 4.044 30 40 GIEB CCCCCCCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1CC 408560669 NBMSZJVICLZFJL-ZDUSSCGKSA-N 381.571 4.387 30 40 GIEB COc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1 408751985 DLCPZGXOGGQSPD-OVCLIPMQSA-N 389.820 4.148 30 40 GIEB COc1cc(N2CCCC2)c(OC)cc1/C=N\Nc1ccc(C(F)(F)F)cn1 409099376 QTZXCCFJFFYJEN-MYKKPKGFSA-N 394.397 4.164 30 40 GIEB N#Cc1c2nc3ccccc3nc2n2ccc(NC(=O)c3ccc(F)cc3)cc12 2337564 DXADQTITZAMPLJ-UHFFFAOYSA-N 381.370 4.299 30 40 GIEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2CC=C)c1C 2621243 OFONHUPNOTUSNG-UHFFFAOYSA-N 393.512 4.162 30 40 GIEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 4699777 WFOFAASDPXFQOP-GFCCVEGCSA-N 386.473 4.246 30 40 GIEB C=CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1C 6348315 MBEHPYSZOXTUMD-HKWRFOASSA-N 375.424 4.338 30 40 GIEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)cc1 6609732 VWMLNSRESOGJGC-LPYMAVHISA-N 387.399 4.496 30 40 GIEB COc1ccc(/N=C/c2cc(I)c(OC)c(OC)c2)cc1 8116441 GGKXNUXACXBCER-VCHYOVAHSA-N 397.212 4.068 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1cccc(OCC)c1 12063458 KYKKJWSBZGQDNE-QFIPXVFZSA-N 389.455 4.221 30 40 GIEB C[C@@H](CC(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1ccnc1 12088122 IMLJLJHAZWIQPV-IBGZPJMESA-N 386.499 4.253 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(Br)s1 12348092 MVPKHLRITSCELW-LBPRGKRZSA-N 394.294 4.140 30 40 GIEB C=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(F)cc1 12419745 ZJRXHZLODXUQKO-UHFFFAOYSA-N 376.384 4.051 30 40 GIEB Cc1noc2c1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 13730245 YMDJRFMDCABLRZ-HNNXBMFYSA-N 377.213 4.449 30 40 GIEB COc1cc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OCC(C)C 40087547 ASXKFYDVEYCZIK-IAGOWNOFSA-N 396.487 4.246 30 40 GIEB CCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1OC 46084705 MKILIFQJFTULFJ-PGMHBOJBSA-N 395.242 4.126 30 40 GIEB CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 100567780 XHWQPGMAHKBRBX-VPSQOLIPSA-N 384.392 4.135 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409133032 QFVJFCMYBGPIKO-XNTDXEJSSA-N 390.270 4.480 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1sccc1C 409316038 KLRSYXKNPRZKTR-UHFFFAOYSA-N 390.306 4.364 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 1354682 IQVVQGVIAVGNFD-AWEZNQCLSA-N 389.480 4.185 30 40 GIEB N#Cc1ccc(Oc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)cc1C#N 6526558 WRFYJLFFGIILKY-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 8856651 QVJJTTWPHZLECW-FKIZINRSSA-N 396.372 4.111 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102482288 JCEZZFXGOIMEDA-YDJIHCHBSA-N 389.382 4.158 30 40 GIEB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)/C(=C\c2ccco2)C1=O 107607185 MEZQWAZBFXNSEI-DHDCSXOGSA-N 378.211 4.464 30 40 GIEB O=C1c2ccccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)N1O 655610 ZYIZDMQMAGEAHF-KRWDZBQOSA-N 385.763 4.464 30 40 GIEB CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc4c(c3)C(=O)NC4=O)s2)cc1 100070277 VZGXGLMZQHSKOA-SSDVNMTOSA-N 389.436 4.008 30 40 GIEB COc1cccc(-c2csc(C3=C(N)N(CC4CCCCC4)[C@H](C)C3=O)n2)c1 34769540 QGLGQGIDCBLACB-CQSZACIVSA-N 397.544 4.300 30 40 GIEB N#CCCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 12630527 KUZIZBNQPXQYDL-UHFFFAOYSA-N 395.875 4.206 30 40 GIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccccc4OC)[C@H]3C[C@H]12 12661622 LYFSZLNQEISTTA-IFJBLMCRSA-N 383.532 4.142 30 40 GIEB biogenic CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C#N)cc1 3411164 GBICFYDGHBYSSP-UHFFFAOYSA-N 380.835 4.314 30 40 GIEB C#CCN(Cc1ccc(C)cc1)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 64529291 QXKXXAXLLAGWLV-UHFFFAOYSA-N 389.499 4.207 30 40 GIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)o1 8550981 YZMKDALFUQUWLH-KRWDZBQOSA-N 399.516 4.374 30 40 GIEB Cc1ccsc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 9047897 IQSFJGRKELYZNJ-PDGQHHTCSA-N 398.461 4.440 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(C)cc1 97104875 XUMUYVDUDPOPLK-GMAHTHKFSA-N 377.484 4.380 30 40 GIEB C=CCN(c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)S(C)(=O)=O 408581534 XQTAALVZBVSYLJ-UHFFFAOYSA-N 399.299 4.198 30 40 GIEB O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCOc1ccc(Cl)cc1 46084897 XZAMDYTYCKAVHE-ZHZULCJRSA-N 385.634 4.251 30 40 GIEB N#C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 596661953 FTKNTXGNKBWXBW-CMPLNLGQSA-N 375.778 4.485 30 40 GIEB O=C1C(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)=CO[C@@H]2C=CC=C[C@H]12 17081785 KRHIIDNTJUAOIM-OAAAUBHFSA-N 399.855 4.013 30 40 GIEB Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1C 12463104 QZQSOYGWLAUNRS-ZREAOVPFSA-N 381.501 4.202 30 40 GIEB O=C(/N=C(/N=C(/c1ccccc1)N1CCOCC1)c1ccccc1)c1ccccc1 104210716 FJMXHQHBQGWAQX-UTGPJPPZSA-N 397.478 4.053 30 40 GIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1F 100815567 YXWDYYICXXWGMT-VGOFMYFVSA-N 375.783 4.383 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)n1ncnc1N2 18196226 UEWAUZKCVZNTKH-XIKOKIGWSA-N 382.876 4.409 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)c3cc(C)cc(C)c3)n2)n[nH]c1=S 12862587 UOFGUGXGGUWFBY-UHFFFAOYSA-N 385.518 4.043 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)nc1 4083661 GUSVMFYCSVALJZ-WYMPLXKRSA-N 387.399 4.496 30 40 GIEB COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1cccs1 4487807 RQNFBLCBZAYAQM-UHFFFAOYSA-N 395.415 4.272 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccccc2)cc1 5345799 PEPJAXGFCKJEHB-VGSWGCGISA-N 386.455 4.011 30 40 GIEB COc1ccc(-c2csc(C3=C(N)N(c4cccc(Cl)c4)CC3=O)n2)cc1 5658261 GQQNXTYWIYGIPJ-UHFFFAOYSA-N 397.887 4.189 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccncc1 8488806 UYOQIGCLYZCKJK-LBPRGKRZSA-N 386.427 4.168 30 40 GIEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccccn1 409295722 FUMOSAFLYILEDL-UHFFFAOYSA-N 394.356 4.360 30 40 GIEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409252746 SQUSIDVCJPJCFJ-ZBKNUEDVSA-N 383.231 4.136 30 40 GIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccccc3OC)NC2=O)c(O)c1 408720757 CVPLLPKNYFTCKF-UNOMPAQXSA-N 397.500 4.139 30 40 GIEB O=c1c(Cl)c(N/N=C/c2c(O)ccc3ccccc23)cnn1-c1ccccc1 32703134 VZDTXOBVDMOZES-FSJBWODESA-N 390.830 4.191 30 40 GIEB N#C[C@@H](CN1CCN(c2ccccc2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 12526613 JUHWVWNAMAJLHY-AZGAKELHSA-N 397.522 4.349 30 40 GIEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 6478664 TWOJDCPUXNAIQS-MOSHPQCFSA-N 393.464 4.252 30 40 GIEB CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 104129441 WVESIWLBBBFMOV-CQSZACIVSA-N 391.814 4.072 30 40 GIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 20028807 NSJOQMXFJKLICJ-FQEVSTJZSA-N 384.907 4.320 30 40 GIEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCCC1 100203777 LJVVPCNEJBSKJF-VEGAHXMMSA-N 387.549 4.366 30 40 GIEB COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 20624828 KQXUPPFXJPFWDO-NHDPSOOVSA-N 389.407 4.257 30 40 GIEB C[C@H]1SC2=NC3=C(c4ccccc4C3=O)[C@H](c3ccccc3Cl)N2C1=O 1626643 GJCMXDRHNNBPEY-QGHHPUGFSA-N 380.856 4.322 30 40 GIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2375169 ZBWVPGZPBHGMTL-UHFFFAOYSA-N 381.439 4.032 30 40 GIEB CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(CC#N)C(=O)C(C)(C)O3)cc1 4965789 XJVMPORRYKQBEH-UHFFFAOYSA-N 377.444 4.090 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 6479517 NNUCEKQFVBXHEG-UHFFFAOYSA-N 378.501 4.094 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103653 UYNOWKMARHAOJT-NVXWUHKLSA-N 391.496 4.341 30 40 GIEB Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Cl)o1 12485459 UNHSCZFCAOGXRD-SRZZPIQSSA-N 381.848 4.424 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1Cl 22989834 ZODNLSJRNCMKIE-UHFFFAOYSA-N 379.803 4.416 30 40 GIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(C)c21 32103682 MCVZZTXNINMWLP-DEOSSOPVSA-N 398.466 4.300 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 102528475 NHELJRZKDLUHLH-LFVOPCPISA-N 397.471 4.035 30 40 GIEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(O)c(Cl)c1 409140384 DGLZGOMGGHPHMT-ZSOIEALJSA-N 393.251 4.099 30 40 GIEB CCOc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 1051181 KUIRFNZKEKEWLU-DNVJHFABSA-N 383.451 4.076 30 40 GIEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)cc1[N+](=O)[O-] 7343371 INEGQLHTMHSRIX-CIAFOILYSA-N 375.388 4.496 30 40 GIEB C=CCOc1c(Br)cc(CNCc2ccc(OC)cc2)cc1OC 7538654 QGSZOUSUOXRWND-UHFFFAOYSA-N 392.293 4.321 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(F)F 7745523 BGZFCPFKYUOOFN-ZZXKWVIFSA-N 376.355 4.354 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C(=O)O)c3ccc(F)cc3)c2C#N)C1 12727984 FGOGGVGAZLLZQN-IAQYHMDHSA-N 386.448 4.081 30 40 GIEB CCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(N)n2)cc1 19848281 UKOXOSPRRFOFQB-UHFFFAOYSA-N 375.428 4.285 30 40 GIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(Cc1ccccn1)CO2 32501377 LHVZSXBMTUYQCJ-NHDPSOOVSA-N 384.435 4.358 30 40 GIEB N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 38796649 SQFNJPNKSVNGTB-UHFFFAOYSA-N 396.855 4.243 30 40 GIEB C=CCc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1OC 44874686 RBCVSLFVCKTOMD-UHFFFAOYSA-N 378.516 4.340 30 40 GIEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1 102615915 DOLYOMVQACXDAE-HOGKFDNTSA-N 398.462 4.379 30 40 GIEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408911392 NDNMZSKXCQABRC-ISZXUTBVSA-N 378.816 4.275 30 40 GIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccccc1OC 409051830 FFIXPAMNKOEBFY-SRZZPIQSSA-N 397.456 4.134 30 40 GIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccn3)cc12 409299886 STFFRRJGMPKSFD-UHFFFAOYSA-N 396.406 4.096 30 40 GIEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 575613353 PVWUBOJDSAGOTL-MRXNPFEDSA-N 390.365 4.047 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 4488260 KERRXZUYACANCR-WLRWDXFRSA-N 398.438 4.342 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C)CC1=O 4910221 GPCQGGAIVLXJKB-IBGZPJMESA-N 389.499 4.234 30 40 GIEB Cc1ccccc1/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S1 5533741 GPZNAFMLFHHHPV-MRXNPFEDSA-N 387.892 4.205 30 40 GIEB CCN(CC)Cc1ccccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 10284593 UIEPBFBHJGZNOS-UHFFFAOYSA-N 390.487 4.022 30 40 GIEB CNc1nc(N/N=C\c2cccc(Cl)c2Cl)nc(Nc2ccccc2)n1 32123422 VFOWWXPQLIHDIJ-FBHDLOMBSA-N 388.262 4.410 30 40 GIEB C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21 226362795 YKRPMOCYWUVDHC-HNNXBMFYSA-N 388.427 4.488 30 40 GIEB CCn1cc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)c(C)n1 252509741 YUQDKRLEOOPIOQ-QPSGOUHRSA-N 398.389 4.334 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1 917523 XXIGHBLIRLMSQM-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(OC(F)(F)F)cc1 2582257 FYHXQLRQNGVYOV-UHFFFAOYSA-N 385.139 4.421 30 40 GIEB CCCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CCC)n2c(C)nnc2S1 4518238 LNENJESGMPWVBJ-UHFFFAOYSA-N 398.532 4.312 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](CCCC)C(=O)O)C2=O)cc1 5372143 AKCMIKIAPLFUMW-WMJYUBJYSA-N 391.514 4.096 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1OC 5478610 SZCMWZRSAJVDEF-UHFFFAOYSA-N 398.463 4.010 30 40 GIEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 5959954 DXGSSDJEDIPQQQ-JAIQZWGSSA-N 392.363 4.132 30 40 GIEB biogenic CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC 6783133 IXQJZPPVVZMKSR-FQEVSTJZSA-N 395.455 4.082 30 40 GIEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 9486453 OENMPRSCJOPCMG-VMPITWQZSA-N 390.230 4.078 30 40 GIEB Cc1cc(C)n(-c2cccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)n1 40134056 IGAFYAGUOUQETG-UHFFFAOYSA-N 385.427 4.305 30 40 GIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc2sc(C(=O)OC)c(C)c2c1 69058060 YEBUMLXSNFQFFM-SFHVURJKSA-N 393.468 4.144 30 40 GIEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225775054 DTBUNQNAWREHMQ-UHFFFAOYSA-N 396.462 4.419 30 40 GIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 4818951 KMJYWBYTGCVRMX-UHFFFAOYSA-N 381.439 4.032 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(C)c1 5500252 RDIWXDJNFGDRCS-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CC/N=C1\S[C@@H](Cc2ccccc2OCc2ccc(F)cc2)C(=O)N1CC 6348076 GBKDPFCUVKLJRV-XHEFNCKESA-N 386.492 4.287 30 40 GIEB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(c2ncccc2C#N)CC1 32779355 YRKIVNCXLNDIQT-FQEVSTJZSA-N 381.451 4.046 30 40 GIEB O=[N+]([O-])c1cc(Br)cc(/C=N/Nc2nc3ccccc3s2)c1O 59514227 CQRNKGXXVOHBCY-FRKPEAEDSA-N 393.222 4.119 30 40 GIEB C=CCc1ccccc1OC[C@@H](S)CN1CCN(c2ccc(F)cc2)CC1 95532727 AZYGVVDETYHQBH-NRFANRHFSA-N 386.536 4.054 30 40 GIEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769939 NMXYVXUKNIICHB-KRWDZBQOSA-N 378.472 4.422 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409045424 YIVLADBYCNVYOV-DEDYPNTBSA-N 387.464 4.312 30 40 GIEB C=CCc1cc(/C=C2/SC(=S)NC2=O)cc(OC)c1OCc1ccccc1 409330235 KBAQUKQKILPNNS-LDADJPATSA-N 397.521 4.492 30 40 GIEB COc1ccc(-c2c[n+](CC(=O)c3ccc(C)cc3)c3n2CCCCC3)cc1 3204045 DXZLNNSNPWOVTB-UHFFFAOYSA-N 375.492 4.369 30 40 GIEB COC(=O)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccc(C)cc3)o2)cc1 4675849 CZCHZUGMZITTJI-LPYMAVHISA-N 393.468 4.362 30 40 GIEB CCCCOc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009250 DSNSDVIQZXSBSB-UHFFFAOYSA-N 379.485 4.192 30 40 GIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(-c2cccs2)on1 7853228 PUAHZPGWGPSLOW-UHFFFAOYSA-N 379.397 4.324 30 40 GIEB Cc1cc(C)c(C#N)c(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1 9465478 GZZFRMSPORRLKV-UHFFFAOYSA-N 394.481 4.420 30 40 GIEB CCOC(=O)/C(C)=N/Nc1ccc([C@@](C#N)(C(=O)C(C)C)c2ccccc2)cc1 11692133 SWXWVEIYKMQZOL-VAHWYXDJSA-N 391.471 4.072 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 11915373 CMMXMFBCNFKURD-FQEVSTJZSA-N 379.456 4.238 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cccc(Br)c1 12347520 QIXWUJBLDUQVEI-ZDUSSCGKSA-N 388.265 4.078 30 40 GIEB COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C\c1ccc(C#N)cc1 12854599 UYTMRFMKLPUKAI-GZTJUZNOSA-N 387.439 4.010 30 40 GIEB CCCC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=N\Nc1ccc(Cl)cc1 18038157 XKIGDNJCLLKNHN-FXBPSFAMSA-N 385.811 4.219 30 40 GIEB C=C(C)C/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(OCC)c1 25392101 IMRWDPRHWULHPD-APOPPUILSA-N 383.473 4.273 30 40 GIEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)s1 223143008 USFMAVGXUAFACN-MRXNPFEDSA-N 389.546 4.491 30 40 GIEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225084864 LLYUWMWENAVYSJ-UHFFFAOYSA-N 384.816 4.077 30 40 GIEB Cc1ccc(Cl)c2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086868831 QACLPDDRNVUEBP-HUUCEWRRSA-N 395.919 4.097 30 40 GIEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC 796177 FWTWFEZASRPTJZ-UHFFFAOYSA-N 387.863 4.058 30 40 GIEB N#Cc1cccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1 3229300 NOVVTDUTHPARRB-UHFFFAOYSA-N 384.435 4.262 30 40 GIEB Cc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1C 3535455 PFKAIFVLRGMHNN-SFHVURJKSA-N 389.550 4.045 30 40 GIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 4331424 CCPRYCJLAHIYDR-CQSZACIVSA-N 386.546 4.433 30 40 GIEB CC(=O)Oc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 4652935 QEBXNHPUZZCFPR-HEKNWVKJSA-N 388.467 4.144 30 40 GIEB C#CCn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 4688503 REMLTVGIRMZJOP-UNOMPAQXSA-N 389.842 4.021 30 40 GIEB O=C(/C=C/c1cc(Br)cs1)c1ccc(N2CCOCC2)cc1 6623593 XEXBJTWWSVSCAR-AATRIKPKSA-N 378.291 4.243 30 40 GIEB Cc1cccc(OCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 7794861 DMBIZEQQQKRLRL-UHFFFAOYSA-N 396.497 4.028 30 40 GIEB Cc1ccc(-c2nc3n(c(=O)c2C#N)CN(c2ccc(Cl)cc2)CS3)cc1 12250601 WAPAUADRPYBBAC-UHFFFAOYSA-N 394.887 4.271 30 40 GIEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 15952880 QGHJYGWAKYAHDK-HXUWFJFHSA-N 389.407 4.067 30 40 GIEB Cc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)c(C)c1 20190155 SJYUNGYUAQQYNO-AFUMVMLFSA-N 375.438 4.474 30 40 GIEB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 20790207 DBWZHEHASUPYCA-UHFFFAOYSA-N 382.485 4.301 30 40 GIEB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)c1cccc(C#N)c1 58015652 DGRWQXPZKPQPQP-NSHDSACASA-N 393.668 4.404 30 40 GIEB COc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1C#N 95993106 JZQUPKWMSJTKFH-GOSISDBHSA-N 379.508 4.112 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1ccc(OC)cc1 97466944 WNFRXDARJUGMLS-NXCZOFCGSA-N 398.484 4.336 30 40 GIEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408719127 GLDPSDIFNVFSKA-MRXNPFEDSA-N 391.290 4.091 30 40 GIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(C)C1=O)OCO2 409091993 WTQZFTXDENEXOI-PKHMCHNDSA-N 382.441 4.048 30 40 GIEB COCc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585294750 JEEFTIMKNITICG-NRFANRHFSA-N 389.459 4.168 30 40 GIEB C=CCN/C(S)=N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 1969291 KBSNATBVAFGDLQ-SSDVNMTOSA-N 377.872 4.453 30 40 GIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 4688262 FGOOANPXUIJEAJ-XDHOZWIPSA-N 377.469 4.469 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(Br)o2)cc1 4739388 RCCUTYSIMPHZDZ-MKMNVTDBSA-N 389.003 4.159 30 40 GIEB CC1=CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5427044 HIQLOIOGTRDMIW-MFHCRVQTSA-N 396.483 4.120 30 40 GIEB endogenous,in-man C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 5864489 AGFSWDFJVGEBTR-MRXNPFEDSA-N 393.512 4.249 30 40 GIEB Cc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1 6650339 UMQPRBVOMYBJTB-UHFFFAOYSA-N 387.534 4.025 30 40 GIEB C#CCOc1c(Cl)cc(/C=N/Nc2nc3ccccc3n2C)cc1OCC 7343346 RLPUEVIBTZLDKD-LPYMAVHISA-N 382.851 4.083 30 40 GIEB COc1cc(CSc2nc(C)c(C(C)=O)cc2C#N)ccc1OC(F)F 12796304 YZAYYPRKEXYCSO-UHFFFAOYSA-N 378.400 4.367 30 40 GIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc4c(c3)OCCO4)c12 23967596 IFANXJMAADGTCT-CSKARUKUSA-N 399.450 4.451 30 40 GIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(C)c21 32103684 MCVZZTXNINMWLP-XMMPIXPASA-N 398.466 4.300 30 40 GIEB C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)c2cc(C(F)(F)F)ccc2S1 79019961 JVNNHTPUZTVEGU-XIKOKIGWSA-N 397.466 4.205 30 40 GIEB C/C=C/Cn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 96019760 NHWQHVGUJMAAJX-FNORWQNLSA-N 392.569 4.232 30 40 GIEB CCN(CC)/C(=N/S(=O)(=O)c1cc(C)ccc1C)c1ccc(Cl)cc1 100847939 ISPSUYVMQSOFKI-XUTLUUPISA-N 378.925 4.434 30 40 GIEB C#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21 100875906 JASZUHBZEBWYDL-VHXPQNKSSA-N 386.476 4.168 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccccc1 102401534 JNXHBYNVPGIBJH-XYJFISCASA-N 384.549 4.164 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)no1 102804259 MCHLJGVKZDHIMD-GROYHEBESA-N 398.802 4.164 30 40 GIEB C/C(CC(=O)Cc1ccccc1)=N/CC/N=C(/C)CC(=O)Cc1ccccc1 104364298 UXWJIULUAABLEN-DQIQZUARSA-N 376.500 4.312 30 40 GIEB O=C1/C(=N\Nc2cc(Cl)cc(Cl)c2)c2ccccc2N1C1CSC1 223717763 JYWXZPGTEVYKBH-PGMHBOJBSA-N 378.284 4.272 30 40 GIEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225117809 QWOGFLTZXGWUAL-UHFFFAOYSA-N 379.453 4.003 30 40 GIEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775171 PTIZFTUUHCJVIR-UHFFFAOYSA-N 382.435 4.171 30 40 GIEB COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516964 YLYWCXQADYNOIR-KZNAEPCWSA-N 396.295 4.089 30 40 GIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408864037 RLLKVMQWIKPBDH-YVLHZVERSA-N 399.859 4.143 30 40 GIEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N1CC 4704701 CYDDSJVVNCSFNL-OUYOUGTCSA-N 384.457 4.265 30 40 GIEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)NC1=O 9234282 AHKRHXYNQCMCCY-AQTBWJFISA-N 396.472 4.333 30 40 GIEB C=C(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccn2)SC1=S 12538129 FSJVBZKAHCIEEK-WOJGMQOQSA-N 382.510 4.438 30 40 GIEB O/C(CN1CCC(Oc2ccc(F)cc2)CC1)=N\c1nnc(C2CCC2)s1 19658355 XAGCURYBJRPMOH-UHFFFAOYSA-N 390.484 4.076 30 40 GIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 27991034 AAVOIRJXULUILF-NRFANRHFSA-N 389.503 4.303 30 40 GIEB CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 58304948 FQUKCGCGKMCFPE-MRXNPFEDSA-N 385.537 4.135 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2Cl)c1C#N 409181484 BOJFXOLTLLRGIF-UHFFFAOYSA-N 396.299 4.446 30 40 GIEB CN(Cc1ccc(-c2ccccc2C#N)cc1)C1CCN(c2cnccn2)CC1 579909667 IXYBVQRSIZXMCM-UHFFFAOYSA-N 383.499 4.116 30 40 GIEB CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)nc2ccccc21 610501589 YZYYAOCLDHODMU-FQEVSTJZSA-N 394.500 4.015 30 40 GIEB CN(C)N1C(=O)C[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 1422742 HYCNKMNVMIFTOH-CQSZACIVSA-N 380.410 4.141 30 40 GIEB COc1cc2c(cc1OC)/C(=N/c1ccc(C(C)=O)cc1)NC1(CCCC1)C2 8664740 XXGHMKRCIZPNJT-UHFFFAOYSA-N 378.472 4.443 30 40 GIEB biogenic Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1 13569933 RAOCRJYLVJZKGN-QGZVFWFLSA-N 380.425 4.136 30 40 GIEB CCOc1cc(/C=N/O)cc(I)c1OCc1ccccc1 13747743 KWQIDTPAKFDVSB-VCHYOVAHSA-N 397.212 4.077 30 40 GIEB Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2nc3c(F)cccc3s2)n1 16851156 LRDHLCZBVNJHQH-UHFFFAOYSA-N 377.404 4.054 30 40 GIEB COC(=O)c1c(C)nc2ccn(-c3ccccc3C#N)c(=O)c2c1-c1ccccc1 19962862 IPBFBLHLGQCZIG-UHFFFAOYSA-N 395.418 4.019 30 40 GIEB N#Cc1cccc(OCCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 71960197 CIUXZAVDWCBJLU-UHFFFAOYSA-N 398.797 4.444 30 40 GIEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1c(F)cccc1F 90730546 KDXCADOYNLWBEQ-UHFFFAOYSA-N 384.304 4.188 30 40 GIEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 216818698 ALZKADJLXUPZPG-UHFFFAOYSA-N 379.637 4.472 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O 226691460 AXGLADQVUKIHHX-ZMXVSGBDSA-N 388.467 4.158 30 40 GIEB C/N=C1\S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1C 409243062 YIYWNEIDWRSSMQ-CRUFNBOHSA-N 379.460 4.361 30 40 GIEB CC[C@@H](C)n1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409410130 ZFJRASXHWXHPBW-SDFHGERASA-N 375.472 4.062 30 40 GIEB C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccc(C)cc1 846162 QPSMFSCDQUSEKU-AFUMVMLFSA-N 391.500 4.467 30 40 GIEB COc1ccc(/C=N/OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2634740 WBXPNHIMKRQRPS-BUVRLJJBSA-N 390.439 4.263 30 40 GIEB CCCOC(=O)CSc1nc2c(c(-c3ccc(OC)cc3)c1C#N)CCC2 2638933 ILTBNMUVLSCVFR-UHFFFAOYSA-N 382.485 4.163 30 40 GIEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]21C 4025767 UQWZWQYTKPEDAK-JTKSJCOOSA-N 380.484 4.403 30 40 GIEB biogenic,in-vitro CCNC(=S)N/N=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 4512043 UIOYLUICQUNCMC-LFVJCYFKSA-N 399.560 4.260 30 40 GIEB CCOc1ccccc1/C=C/C(=O)c1cc(Br)ccc(NC)c1=O 4667394 UGFJQXTUIWERLE-DHZHZOJOSA-N 388.261 4.146 30 40 GIEB O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Br)cc1 5869770 RUKLOBYASUCINF-RELWKKBWSA-N 381.229 4.454 30 40 GIEB C=CCOc1ccc(CNCCc2ccc(OC)cc2)cc1Br 6600522 XNAKAXGWCZKLHD-UHFFFAOYSA-N 376.294 4.355 30 40 GIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1Cl 11689725 KDIAVEZHVTYOOR-IXJMWADBSA-N 378.284 4.158 30 40 GIEB Oc1nc2cc(Cl)ccc2nc1/C(=N/Nc1ccccc1)[C@@H](O)c1ccco1 17861932 WILMRFYKJJAKSX-CXTZRUPXSA-N 394.818 4.132 30 40 GIEB CCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 19117139 KGCYOZVMIIBKEW-QCKHJMTRSA-N 387.505 4.006 30 40 GIEB N#CCCN(C(=O)CN1CCC[C@@H]1CCc1ccccc1)c1ccccc1F 48289783 RDCNHPUBJUHKEV-HXUWFJFHSA-N 379.479 4.170 30 40 GIEB CCc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)c(C)c3)C(=O)N2C)cc1 101650752 HDQPDJPOLYHNGH-DRGFOCDESA-N 395.528 4.456 30 40 GIEB Cc1cccc(OCc2nc(SCc3ccccc3C)nc(N)c2C#N)c1 223685467 BTAJHSKVVDPNFM-UHFFFAOYSA-N 376.485 4.419 30 40 GIEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1 225769918 NMXYVXUKNIICHB-QGZVFWFLSA-N 378.472 4.422 30 40 GIEB N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)O2 225823745 FVPXEFWFUWWNED-UHFFFAOYSA-N 395.846 4.244 30 40 GIEB CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C 409056774 NUQNXNONSGXMGX-UHFFFAOYSA-N 383.256 4.455 30 40 GIEB N#Cc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 3371706 CZHXPDKZXZDCOQ-UHFFFAOYSA-N 385.449 4.023 30 40 GIEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1 4116321 RQSVSQADLPEUCB-PRPYNDMISA-N 390.483 4.480 30 40 GIEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccc(Cl)cc2)cc1 4889207 BGRCECIZYYXUSQ-APOTWCRESA-N 387.892 4.203 30 40 GIEB COC(=O)/N=C(/Nc1cc(C)nn1-c1ccccc1)C(Cl)(Cl)Cl 5577724 VRJGBODPGPCSLY-UHFFFAOYSA-N 375.643 4.128 30 40 GIEB C[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1ccc(F)cc1 5903693 FVDKXLLFCFEZDZ-CQSZACIVSA-N 382.464 4.059 30 40 GIEB COc1ccc(/C=C2\CCC[C@H]([C@H](NO)c3ccc(OC)cc3)\C2=N/O)cc1 6404149 LSPQAPMSPVMUIX-MFSPSVFYSA-N 382.460 4.438 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1sc2ccccc2c1Cl 6590757 DQHZUJCLJUIRHI-SGQUHAKNSA-N 390.892 4.166 30 40 GIEB Cc1csc([C@H](C#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)n1 6606178 RWTXMOHUPDCNCT-SECBINFHSA-N 391.827 4.487 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3OCC)ccc21 8958719 VLADYPKQAARAFN-UHFFFAOYSA-N 394.471 4.275 30 40 GIEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)cc2)cc1 12062640 CLAFEPHOUHHMEP-UHFFFAOYSA-N 379.416 4.343 30 40 GIEB O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 20330123 BWOXFNCOYASJSA-FQEVSTJZSA-N 399.402 4.168 30 40 GIEB O=[N+]([O-])c1ccc(O)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 36022875 VYRSVYHYVJKUIN-OZDWGKQUSA-N 397.206 4.322 30 40 GIEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 36611370 ZUHFGIOIDFLZCO-KEBDBYFISA-N 378.404 4.382 30 40 GIEB N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)nc1 69975830 VHQSVQGDIRWOFC-JOCHJYFZSA-N 388.515 4.255 30 40 GIEB CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(F)cc2C(F)(F)F)n1 71954325 RMZFUMDMXCWSEG-UHFFFAOYSA-N 382.283 4.331 30 40 GIEB CCCCCCCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 98048406 OMTXZIMNUPACRU-IBGZPJMESA-N 388.895 4.012 30 40 GIEB COc1ccc2ccc(OC)c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 409007578 PGYCKJQNNOCKJX-JAIQZWGSSA-N 396.359 4.119 30 40 GIEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccc(OC)cc3)C(=O)N2CC)cc1 409143011 SZWDHVYCQDDCTK-XJUMHSELSA-N 384.501 4.288 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C#N)c1C 994680 ZDGBHYUCVBZGRY-UHFFFAOYSA-N 378.837 4.019 30 40 GIEB O=C(O)CSC1=CC2=N[C@@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=CC1=O 2109716 WPYJKQMHFATMFE-LHSJRXKWSA-N 384.501 4.030 30 40 GIEB biogenic COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1O 3068578 OARLLUTXWRDVNL-GIJQJNRQSA-N 381.213 4.373 30 40 GIEB N#Cc1ccccc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3385497 ACOUKQORMZBFSY-LFIBNONCSA-N 394.477 4.404 30 40 GIEB CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 4905610 DNMIVGPRKRLQLY-QGZVFWFLSA-N 386.245 4.247 30 40 GIEB CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1nc2ccccc2s1 5463099 UKLJVSQJVMJLHN-ADYSOMBNSA-N 397.412 4.138 30 40 GIEB COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O 12463708 OEBNMGHOOCNHIT-YZSQISJMSA-N 399.494 4.122 30 40 GIEB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1-c1ccccc1C#N 12788371 LCXZGTIYRMINKT-UHFFFAOYSA-N 385.423 4.445 30 40 GIEB N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1 13410336 NPKLNEYFRAZXIW-UKRRQHHQSA-N 395.212 4.197 30 40 GIEB biogenic COc1cc(CNc2ncc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1 32806379 RZDIONQROQPMBK-UHFFFAOYSA-N 390.399 4.061 30 40 GIEB CCSc1nnc(C(F)(F)F)n1/N=C/c1cc(Br)cs1 36611519 DJBOJJNCSJWIRY-SYZQJQIISA-N 385.234 4.115 30 40 GIEB N#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2 38144642 PRGLEKXIBJTALC-UHFFFAOYSA-N 396.497 4.279 30 40 GIEB C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1ccsc1 59514388 QONHKBWTDNBPNI-DEDYPNTBSA-N 379.493 4.113 30 40 GIEB Cc1nc(N2CCc3c(sc(N)c3C#N)C2)c2c(CC(C)C)csc2n1 71950631 CGZUZYMYOZWAGD-UHFFFAOYSA-N 383.546 4.276 30 40 GIEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 100765961 ZLIRGENKUOILJW-NHCUHLMSSA-N 397.490 4.414 30 40 GIEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)[C@H]1C=C[C@H]2C12CC2 106361226 NAGHZRPAHWQZSM-MREMSQHLSA-N 392.842 4.131 30 40 GIEB N#Cc1ccccc1CO/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408595150 KTICSQNZNUABRC-MFKUBSTISA-N 385.423 4.126 30 40 GIEB CCCCOc1ccc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)cc1 408601111 ILJGNUPJIRBNFZ-QRVIBDJDSA-N 381.501 4.398 30 40 GIEB Cc1c(C#N)cccc1NC(=O)N1CC(Cc2ccccc2Br)C1 599756019 PITSMMGERYLGFU-UHFFFAOYSA-N 384.277 4.336 30 40 GIEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4995860 CSGOIDNRGPLEFM-CJLVFECKSA-N 379.401 4.067 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3OCC)cc21 8959536 XZTFEULCCQJXEY-UHFFFAOYSA-N 394.471 4.275 30 40 GIEB CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2SCCC#N)cc1 95953511 LMBQFQJWCMUQFB-UHFFFAOYSA-N 385.514 4.382 30 40 GIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409335386 WNLJVKFLBLBATL-UHFFFAOYSA-N 390.306 4.445 30 40 GIEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 409338578 MLHILOBASYUAMU-VCHYOVAHSA-N 397.477 4.386 30 40 GIEB CN(C)/C=N/C(=O)[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 4002264 ZSZGBMDULYEKCA-SYOQMXFQSA-N 388.442 4.305 30 40 GIEB COc1cc2c(cc1OC)/C(=C/C(=O)c1cccc(C(F)(F)F)c1)NCC2 5267276 QISBJLCNVWXJCK-WJDWOHSUSA-N 377.362 4.092 30 40 GIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6295390 XAJJNDMUTNBELM-SFHVURJKSA-N 385.872 4.159 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)(C)C)cc1 6813263 ARXFBSURRXXUNR-IBGZPJMESA-N 397.471 4.110 30 40 GIEB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 9668567 TWDUEYRTKNHHMQ-CYBMUJFWSA-N 394.272 4.253 30 40 GIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)O[C@H](C)C4)o3)o2)c1 12418978 RODYTDOPCGRQEE-IYBDPMFKSA-N 393.443 4.307 30 40 GIEB CC1=C(C(=O)Nc2ncccc2C)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 13161227 XJXQENHHUSAITR-FQEVSTJZSA-N 391.446 4.136 30 40 GIEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(NCCCn2ccnc2)o1 27529803 IQYFKTRBVWXFAX-FZMZJTMJSA-N 380.279 4.304 30 40 GIEB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 69815226 WEWIVJGYMSLUPV-JOCHJYFZSA-N 382.552 4.133 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CC)C1 72391205 BBZZTKYMAKXLTD-QHCPKHFHSA-N 396.556 4.279 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(O)cc2)cc1 102929843 WVYZLBSTUAWJRF-MRJHHRETSA-N 385.419 4.327 30 40 GIEB C/N=c1/scc(-c2ccccc2Br)n1/N=C/c1cccc(O)c1 103458363 LZRJXXZMVYRHEE-DTTLINJISA-N 388.290 4.097 30 40 GIEB COc1ccccc1/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408803046 KRGJWZZMLPEMEI-ONUIUJJFSA-N 388.467 4.184 30 40 GIEB CC[C@@H](C)Oc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1Br 408852537 HFLQBTAWAKSSNM-MALXQRFZSA-N 383.311 4.158 30 40 GIEB O=C(O)c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 408931245 IXLQWWZSKFHQCV-HZHRSRAPSA-N 376.412 4.232 30 40 GIEB COc1cccc(/C=N\c2ccc(Br)cc2C)c1O[C@H](C)C(=O)O 409239853 RAYRBVVMFFKJLY-SVKBEJCWSA-N 392.249 4.369 30 40 GIEB C=C(C)COc1ccc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC 623318 UDICJLCHXXVPOZ-WQRHYEAKSA-N 379.412 4.003 30 40 GIEB CCCC[C@H]1S/C(=N\N=C\c2ccc3c(c2)OCO3)N(c2ccccc2)C1=O 4134817 ZVOKNIXZKPUIRG-HTIXJGPSSA-N 395.484 4.444 30 40 GIEB N#Cc1c(SCC(N)=O)nc2c(c1-c1ccc(Cl)cc1Cl)CCCC2 5616227 CUCVRLFRXMYQBP-UHFFFAOYSA-N 392.311 4.383 30 40 GIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 5868754 QCRZGZYXTRIVOK-MRXNPFEDSA-N 399.491 4.366 30 40 GIEB CC(C)COc1ccc(C/N=C(/S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 8829165 JNCKNSXNGDOGFE-CIAFOILYSA-N 386.477 4.039 30 40 GIEB C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12789997 NATKTEJPTUFVBO-AWEZNQCLSA-N 378.501 4.394 30 40 GIEB CSc1nc(C2CC2)cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)c1C#N 12821281 OMXGXJADZSZFIZ-UHFFFAOYSA-N 395.528 4.320 30 40 GIEB C=CCNC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 18613323 QTOGCMFCEVIETO-UHFFFAOYSA-N 394.496 4.313 30 40 GIEB CC(C)OC(=O)C(=O)/C=C(\Nc1ccc(Br)cc1)c1ccccc1 100091175 IQEYGVODKMEIMQ-ATVHPVEESA-N 388.261 4.423 30 40 GIEB CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2ccccc2)C1=O 100209197 HXPOBJDRRAXKDI-FOWTUZBSSA-N 396.424 4.138 30 40 GIEB CCOc1ccc(N/C=C(/C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 100862399 JOFQHSJPAUNFHZ-ATVHPVEESA-N 393.361 4.404 30 40 GIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)c1 408856270 JQYUTFACSGHNRG-DZBQEORWSA-N 396.468 4.047 30 40 GIEB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1[N+](=O)[O-] 409173115 JYHGYSVJIRSUAT-RQZCQDPDSA-N 379.397 4.011 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 1470342 WLEPEOFVKDPNJY-HNNXBMFYSA-N 382.466 4.296 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 4155225 QPLLVENXOUMKGH-QEJZJMRPSA-N 386.517 4.376 30 40 GIEB CCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1 4676545 ZJVZOWJCTSHLEV-SFHVURJKSA-N 397.500 4.113 30 40 GIEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccncc1 5003435 SZVXXWRSXUHUSZ-HZHRSRAPSA-N 382.431 4.200 30 40 GIEB C/C(=N\OCC(=O)Nc1ccccc1C(C)(C)C)c1ccc2c(c1)OCCO2 12528718 NAXHHRUNZWFQLV-BUVRLJJBSA-N 382.460 4.135 30 40 GIEB CCCOc1ccc(C(=O)c2ccccc2C(=O)OCC#N)cc1OCCC 12886254 HRWHEFIRVCBSMQ-UHFFFAOYSA-N 381.428 4.176 30 40 GIEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1 102962180 WVLFWOBWGYOGDY-LRWZUSMTSA-N 399.903 4.463 30 40 GIEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 219818801 VQHARJDLDIVCHP-GOSISDBHSA-N 389.542 4.249 30 40 GIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 225763173 AEWYSDRGALELEZ-UHFFFAOYSA-N 380.419 4.463 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c(OC)c1 408800229 NZYRUKFFRYTPNE-IWIPYMOSSA-N 396.487 4.282 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1 408858318 OFMAZQXSJWHEAA-UYRXBGFRSA-N 380.469 4.460 30 40 GIEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OC)c1O 409072065 APTPMAJCUUCENA-UHFFFAOYSA-N 380.440 4.257 30 40 GIEB Cc1ccc(Oc2cc(-n3nc(C)c(C#N)c3N)nc(-c3ccccc3)n2)cc1 632463 VQPBSPCZMFYASG-UHFFFAOYSA-N 382.427 4.192 30 40 GIEB COc1ccc(CCNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1 730233 PHRMTPTZPUWQCZ-UHFFFAOYSA-N 383.835 4.442 30 40 GIEB C[C@@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(Cl)cc1Cl 3319901 ZAEIXMMFNCMEDI-OFJBCHTGSA-N 379.287 4.481 30 40 GIEB Cc1nc(SCC(=O)Nc2ccccc2Br)c(C#N)c(C)c1C 5172673 OVYTYRNHNXXQLC-UHFFFAOYSA-N 390.306 4.372 30 40 GIEB C=CCOc1ccc(Cl)cc1C(=O)N1CCC(O)(c2cccc(C)c2)CC1 12290285 CNSGUEDLFCUKCV-UHFFFAOYSA-N 385.891 4.337 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 12553144 YNJWXDSEBFHACD-FVMDXXJSSA-N 391.682 4.247 30 40 GIEB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 12789358 CVAQEUFYLPFWHN-LBPRGKRZSA-N 382.803 4.033 30 40 GIEB Oc1ccc(-c2cs/c(=N\C3CCCCC3)n2/N=C/c2ccccn2)c(O)c1 12831405 HGMZWKSKMRRXJG-CPMJGDOVSA-N 394.500 4.138 30 40 GIEB N/C(=N/OC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 13110983 LQIKKTVLLFKPEX-UHFFFAOYSA-N 393.152 4.276 30 40 GIEB COc1ccc(-c2c[n+](CC(=O)Nc3ccc(C(C)C)cc3)c3n2CCC3)cc1 17209440 BQHOMYGTZDXLHC-UHFFFAOYSA-O 390.507 4.160 30 40 GIEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1 17918923 BCLHSQVURLOFBY-HXUWFJFHSA-N 379.456 4.320 30 40 GIEB C=CCN1CCN(C(=O)CCC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19501442 LMXBZDUTIZFICF-JOCHJYFZSA-N 390.527 4.169 30 40 GIEB N#Cc1ccccc1NC(=O)CCSc1nncc2c1[nH]c1ccc(F)cc12 25058693 ITSYQDASZLPBBM-UHFFFAOYSA-N 391.431 4.243 30 40 GIEB CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)c1ccnc(Cl)c1 32823642 BCADNACTPHZSMY-ACHDJDMMSA-N 375.881 4.399 30 40 GIEB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC#N 211635309 MXJVGZUUBASFIA-SFQUDFHCSA-N 382.466 4.003 30 40 GIEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1COc1ccccc1 223680934 XNWPXWMRLQCGGR-UHFFFAOYSA-N 382.876 4.455 30 40 GIEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(-c2cccc(Br)c2)o1 409095032 GKZZJBCCZMBRIN-VXLYETTFSA-N 387.193 4.458 30 40 GIEB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cc(C#N)cs1)CC2 548677666 GUNSXFZORBCTJE-LJQANCHMSA-N 385.558 4.084 30 40 GIEB CC[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccccc1 2617286 XGPZIVIAPNCKDA-GDBMZVCRSA-N 396.512 4.420 30 40 GIEB C=CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc(-c2ccccc2)cs1 3558703 ZOXUDANYCVUJLB-IBGZPJMESA-N 378.453 4.169 30 40 GIEB Cc1ccc(O)c(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c1 4024658 VNPPMVHBQZPIFM-HWKANZROSA-N 375.218 4.226 30 40 GIEB biogenic CCc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C#N)cc2c1 4848931 BVXIWEBJDUUNJB-UHFFFAOYSA-N 391.452 4.128 30 40 GIEB COc1ccc(/N=C2/S[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)N2C)cc1 8091961 PZIVXUFHGCXPBD-RWNPKEDZSA-N 390.892 4.161 30 40 GIEB C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 72280750 AIXNKIITJVXFFQ-IBGZPJMESA-N 385.870 4.419 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)cc3C)C(=O)N2C)cc1 101650774 WRSZFGMVZALZFZ-VCGVYRDQSA-N 395.528 4.456 30 40 GIEB C=C(C)COc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 219795017 BEFJRNLFNIYOEV-UHFFFAOYSA-N 380.488 4.367 30 40 GIEB C#CCOc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC 408931300 JSTMKVFJXPCQJP-LFVJCYFKSA-N 398.890 4.338 30 40 GIEB CC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 4889090 BLRRPGWQQPUFRP-PPPMLJSVSA-N 394.544 4.305 30 40 GIEB CC(=O)N1C(=O)/C(=N\Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 4926367 RMOWSBGOOVAUAA-HAHDFKILSA-N 381.741 4.068 30 40 GIEB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 12914437 SXWLEPQUHPMQCK-UHFFFAOYSA-N 387.468 4.324 30 40 GIEB CCOC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 18244443 HMYMMZYITKPIFN-JOCHJYFZSA-N 394.471 4.459 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960104 JOTONHVMDUSERY-IFXJQAMLSA-N 392.484 4.317 30 40 GIEB N#Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 58159111 KTDWBIOLYMROAQ-UHFFFAOYSA-N 396.494 4.133 30 40 GIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)O1 102126658 HZUYXWNDSUIASC-IWHGQQBYSA-N 390.313 4.194 30 40 GIEB COc1ccccc1OCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225862768 VRDGHJJLSWJGOZ-UHFFFAOYSA-N 381.863 4.274 30 40 GIEB O=C(NCc1ccc(/C=N/c2ccc(F)cc2)o1)C(=O)Nc1cccc(Cl)c1 408885413 ZKDODEDGYWNKTG-FOKLQQMPSA-N 399.809 4.078 30 40 GIEB Cc1onc(CC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C#N 500159385 UCYZFVJKUBGUPV-FQEVSTJZSA-N 383.810 4.096 30 40 GIEB N#Cc1cc2sc3nnc(-c4ccc(Br)cc4)n3c2cc1C#N 2503919 XQLOWHJGAYNTNE-UHFFFAOYSA-N 380.230 4.117 30 40 GIEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3073144 WFGWJGVIFUDWAK-KGENOOAVSA-N 396.424 4.422 30 40 GIEB CC(=O)Nc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 4170432 UFEGEACSNDFNCL-UHFFFAOYSA-N 381.439 4.320 30 40 GIEB aggregator CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5163623 XKRBWVCFNSFVIM-NVMNQCDNSA-N 390.794 4.426 30 40 GIEB Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1O/C(=C\c1ccco1)C2=O 5339550 XOVSQSHPHQCJNC-GRSHGNNSSA-N 390.347 4.152 30 40 GIEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 5789342 AUPBPGARDJFDNA-LJQANCHMSA-N 399.516 4.433 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccccc1F 6743290 LDSCQFYUBZCDLU-NRFANRHFSA-N 377.419 4.269 30 40 GIEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc1OC 7734682 MGLMFPBDVNJJHI-KRWDZBQOSA-N 387.501 4.143 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 8959591 BFSSBNJFVLSOQL-UHFFFAOYSA-N 378.472 4.493 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 11456624 IUQUEPHVERRTHP-AOMKIAJQSA-N 380.444 4.079 30 40 GIEB N#Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 12909880 JZZIUTZJBCJTQE-UHFFFAOYSA-N 399.922 4.263 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccccc2)cc1 16737372 LIPQONRABLNMNY-FQEVSTJZSA-N 375.424 4.016 30 40 GIEB O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 23127136 QRGNBLBWDMELGE-ODLFYWEKSA-N 379.437 4.352 30 40 GIEB C=CCOC(=O)c1sc(NC(=O)c2c(C)noc2-c2ccccc2)nc1C 35671490 PZANEGVXYYXQJK-UHFFFAOYSA-N 383.429 4.010 30 40 GIEB C=CCOc1ccc(CNc2cccnc2N2CCC(CO)CC2)cc1Cl 89894003 KIYXMQSSPMMVPR-UHFFFAOYSA-N 387.911 4.121 30 40 GIEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 97954025 KAHJLUZOQQPAIN-QGZVFWFLSA-N 380.492 4.351 30 40 GIEB Cc1cc(Cl)ccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C 101651122 MTNFYUOFQQVUIM-QKDOTCOFSA-N 387.892 4.239 30 40 GIEB Cc1c(/C=N/N2C(=O)CSC2=S)c2ccccc2n1Cc1ccccc1 409351191 ZBROGJQABMRZRG-SRZZPIQSSA-N 379.510 4.192 30 40 GIEB C=CCn1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409393133 PEEBZWHYROHNGZ-MTJSOVHGSA-N 385.492 4.214 30 40 GIEB CN1N=C(c2ccc(Br)cc2)/C(=N\Nc2cccc(Cl)c2)C1=N 3767636 FSHGWPIHCIQRBY-UIWOSKIUSA-N 390.672 4.197 30 40 GIEB C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc(OC)c1O 4664286 FHMHAKHMSNXNKW-UBIDFSEFSA-N 380.469 4.363 30 40 GIEB CCNC(=S)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 6438710 WQAYOJCBECLJNX-AFUMVMLFSA-N 388.496 4.108 30 40 GIEB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3c(C#N)oc4ccccc34)cc2C1 7737708 JKASRTIXBOWCLK-LBPRGKRZSA-N 394.452 4.286 30 40 GIEB CSc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9484248 FJCSFSXIQJCVHR-DJJJIMSYSA-N 378.457 4.009 30 40 GIEB Cc1ccccc1CSc1nc(N)c(C#N)c(COc2ccc(F)cc2)n1 223689515 IAIKJXQXZPMFPH-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3OC)cc2)cc1 408798477 FMGCFHZDWFXIDG-IWIPYMOSSA-N 390.439 4.472 30 40 GIEB O=C(O)c1cccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c1 408931864 REUMSYSCOCBWFK-HAHDFKILSA-N 376.412 4.232 30 40 GIEB C[C@H]1C[C@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 934567 LFIHLRMKDMQVNZ-STQMWFEESA-N 390.281 4.370 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 1857152 UDMJLTUKEOKBAC-SSZFMOIBSA-N 391.514 4.098 30 40 GIEB CC(C)C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 8235351 ZLZGPJRZRPMRHY-SFHVURJKSA-N 397.500 4.051 30 40 GIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(C)cc1 9582630 TZLHAAGMBVJBJO-UHFFFAOYSA-N 393.512 4.347 30 40 GIEB N#Cc1ccc(C[S@@](=O)CCOc2ccc(Cl)cc2Br)cc1 32801268 VXSHJCXEUMOEAO-JOCHJYFZSA-N 398.709 4.302 30 40 GIEB Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2c1 38653263 FBPGBDFCOVTRDK-UHFFFAOYSA-N 388.446 4.409 30 40 GIEB C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NC1(C#N)CCCC1)C1CC1 40155723 HWRSAFQHKLZDJP-CQSZACIVSA-N 379.426 4.183 30 40 GIEB CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102728191 SZWSCHASVIKEHC-VSZNYVQBSA-N 394.519 4.309 30 40 GIEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](S)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S 118928819 MDYOCVRPFLWERO-UYCRJBTFSA-N 377.623 4.437 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408718729 CGYBBRJWBBHROT-IGGCCQSFSA-N 380.831 4.131 30 40 GIEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(OC)c3OC)nc1-2 408722441 IXNUGHVQIMPBMI-UFFVCSGVSA-N 382.441 4.479 30 40 GIEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(Cl)cc1 408963695 ONLFWJWGNVEQDS-ZMMCEODWSA-N 389.820 4.188 30 40 GIEB C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409058351 OBJSHZCGQIYSAD-ZROIWOOFSA-N 382.279 4.459 30 40 GIEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc2ncccc2c1 409093712 BFQRFEALOOJVRK-ZMOGYAJESA-N 386.415 4.392 30 40 GIEB C#CCN1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409241903 ZHFQCFJJPDCXHL-DEDYPNTBSA-N 390.439 4.498 30 40 GIEB CN(C)c1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cc1 585295423 YYZYACGSCLFBDW-HSZRJFAPSA-N 398.514 4.495 30 40 GIEB CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 1085385 ZCDCZYNOSYBYGI-HZHRSRAPSA-N 397.475 4.443 30 40 GIEB CCc1ccccc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 3068172 JVAINVDIOUPPNZ-CYBMUJFWSA-N 395.221 4.382 30 40 GIEB COc1cccc2cc(C(=O)/C=C/c3cccc(Br)c3)c(=O)oc12 4598219 JQNPLBULEZCTGD-CMDGGOBGSA-N 385.213 4.460 30 40 GIEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 5474437 TUPJYUPVLWWPJH-WSDLNYQXSA-N 375.384 4.044 30 40 GIEB COc1ccc(C(=O)/C=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 6048615 DYHLJPPPKOIFPV-YCRREMRBSA-N 393.424 4.441 30 40 GIEB Cc1c(N/C(=N/Nc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 6269035 VEIIKSJWFPHQEP-UHFFFAOYSA-N 397.482 4.370 30 40 GIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NC[C@@H]4CCCO4)o3)o2)c1 9764271 ZYAGDBDPNNTMEF-INIZCTEOSA-N 379.416 4.285 30 40 GIEB CC(=O)n1nc(-c2ccccc2)c([N+](=O)[O-])c1C(F)(F)C(F)(F)C(F)(F)F 16158405 JDCAQLNOHSHGTF-UHFFFAOYSA-N 399.222 4.408 30 40 GIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)C3CCC3)c2C#N)C1 39995058 POCOGHQNDKSXQS-AWEZNQCLSA-N 388.533 4.443 30 40 GIEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1C 54979076 QZQSOYGWLAUNRS-VEGAHXMMSA-N 381.501 4.202 30 40 GIEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408719124 GLDPSDIFNVFSKA-INIZCTEOSA-N 391.290 4.091 30 40 GIEB COCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\c1ccccc1 4696368 FDTBXEWJEYBGOT-WJCPARMISA-N 388.876 4.296 30 40 GIEB C/C(=N/OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1cnccn1 12953372 QKSCWBJGCHIALO-AFPJDJCSSA-N 391.214 4.328 30 40 GIEB C=C(Br)CNC(=O)COc1cc2sc(C)nc2c2sccc12 58428634 VCJWKQZEALQRFV-UHFFFAOYSA-N 397.319 4.223 30 40 GIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OCC)cc1 224583159 DQBPTXRNTDZVQI-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB O=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccc(Cl)cc1)N1CCOCC1 1057809 KNJARUCQJMLLSA-XLNRJJMWSA-N 394.258 4.236 30 40 GIEB N#Cc1cccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)c1 2627117 IEIOYGSSXJUASW-UHFFFAOYSA-N 386.436 4.247 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(F)F 3211102 SNFMWDZMFWEEMU-QGZVFWFLSA-N 391.414 4.065 30 40 GIEB N#CCCN(C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 3275531 ZMODFRSDPZGHLQ-UHFFFAOYSA-N 394.446 4.128 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccco1 4735940 MCOYGMBAPUGEHS-UHFFFAOYSA-N 392.843 4.247 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1F 4919770 AOJZKMAORMLFPH-HTAPYJJXSA-N 398.430 4.162 30 40 GIEB O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccccc1)c1ccc(Cl)s1 6188303 URAPOSTVLFMLTB-UHFFFAOYSA-O 387.937 4.418 30 40 GIEB O=C(Nc1cccnc1)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccccc1 6550114 KISBTIZIDBTQNU-XIEYBQDHSA-N 378.819 4.025 30 40 GIEB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 8483916 WLXGDXNVIYSGTC-UHFFFAOYSA-N 397.891 4.290 30 40 GIEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC 8811344 AWNGIAZPRBTUOB-DJKKODMXSA-N 383.673 4.243 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)cc1 13127070 UQYVXKHOXAEXQJ-ZHRRBRCNSA-N 386.455 4.011 30 40 GIEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 18200504 AGNDVXOOOFFTGZ-NRFANRHFSA-N 395.455 4.286 30 40 GIEB COc1cc(/C=C2/CSc3ccc(F)cc3C2=O)c([N+](=O)[O-])cc1OC 96765600 GINAUOVSWDEZBY-WZUFQYTHSA-N 375.377 4.123 30 40 GIEB COc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1 103179008 DWKGJHCDYCNTFH-QFIPXVFZSA-N 384.435 4.343 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2ccccc2F)cc1)N1CCc2ccccc2C1 408729476 FTPWICUSICTOLT-BUVRLJJBSA-N 394.471 4.323 30 40 GIEB COc1ccc([C@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1OC 1715765 HELHITGEKNZWFZ-MOPGFXCFSA-N 390.501 4.444 30 40 GIEB Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 2617201 CIGIQMDFYLGAAZ-CYBMUJFWSA-N 382.485 4.157 30 40 GIEB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 4463554 URUWRLRPAVCPQM-UHFFFAOYSA-N 397.891 4.221 30 40 GIEB CCOc1ccc2nc3c(cc2c1)CN(CCO)/C(=N\Cc1ccccc1)S3 4858470 IZNFHEHRYJOWAP-GHVJWSGMSA-N 393.512 4.090 30 40 GIEB Cc1cc2oc(=O)c(C/C(O)=N/c3ncn[nH]3)c(C)c2c2occ(C(C)(C)C)c12 8991610 WYNXJQNROHOIJS-UHFFFAOYSA-N 394.431 4.402 30 40 GIEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 10010805 YPNAXAJZAVWHDC-GQCTYLIASA-N 390.230 4.078 30 40 GIEB CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 11914463 YQJRKWSCUZQSIS-LJQANCHMSA-N 383.419 4.069 30 40 GIEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)cc1C 59224121 HDVSSTCJLPZEDG-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1csc(-c2ccc(F)cc2)n1 96179993 SWADNZOGQCCNGZ-IUXPMGMMSA-N 390.505 4.481 30 40 GIEB CC(=O)c1ccc(NS(=O)(=O)c2ccc(N/C=C3/CCCCC3=O)cc2)cc1 100797584 UWNYGQXXCBLICD-VKAVYKQESA-N 398.484 4.129 30 40 GIEB COCC/N=c1/scc(-c2cccc3ccccc23)n1/N=C/c1ccc[nH]1 103461488 VROKDFFUSZXXRQ-ZABGTVDDSA-N 376.485 4.127 30 40 GIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(OC)c1 5298496 AVNYQRPUEOGLJG-UHFFFAOYSA-N 382.445 4.340 30 40 GIEB COc1ccc(/C=C/C(=O)c2cccc(Br)c2)c(OC)c1OC 7717875 KKEVOASJUHVSLZ-VQHVLOKHSA-N 377.234 4.371 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12527599 QGWOIYKKFBWJQR-NFECSFHCSA-N 382.533 4.134 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12784622 ITLQPAWLLQVTEK-SPLOXXLWSA-N 394.500 4.425 30 40 GIEB N#Cc1c(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cn2ccccc12 12867118 WDVJODPTEXMEGS-FNORWQNLSA-N 381.775 4.129 30 40 GIEB Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@@H]2CCCO2)CO3)C1=O 13718957 NNDYVVDLNOEBNY-WXARJGPPSA-N 383.469 4.004 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccsc1)n1nc(SCc3cccnc3)nc1N2 18200063 YQRLRBHWWZFZIE-QGZVFWFLSA-N 395.513 4.049 30 40 GIEB CCOc1nc(N)c2c(c1C#N)OC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 22145703 OVUIPHDIDVZCBH-KRWDZBQOSA-N 389.455 4.102 30 40 GIEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCCC3)o2)cc1 27992916 XJPPQURDMIOPAM-LJQANCHMSA-N 392.459 4.454 30 40 GIEB Cc1cc(C)nc(N/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)n1 103380442 MODAZBVZMIRDOV-NCELDCMTSA-N 391.862 4.110 30 40 GIEB N#Cc1c(N)nc(SCc2ccccc2F)nc1COc1ccc(F)cc1 223689293 YFOBPBSPAOWRPU-UHFFFAOYSA-N 384.411 4.080 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2ccc(F)cc2)cc1)N1CCc2ccccc2C1 408730452 RBUJXCUEIDGSHQ-BUVRLJJBSA-N 394.471 4.323 30 40 GIEB Cc1cncc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)c1 585294143 ORZGKQAXWIIECJ-QFIPXVFZSA-N 399.502 4.226 30 40 GIEB COc1ccc(Cl)cc1NC(=O)/C=N/OCCOc1ccccc1Cl 5402818 AYGQBZYVWBYPTN-RGVLZGJSSA-N 383.231 4.022 30 40 GIEB COc1cc(/C=C(\C(C)=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 6209863 SPJVPHJRURUAND-WOJGMQOQSA-N 398.415 4.002 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 6338321 VPZLGMJRQRPHKE-XBXARRHUSA-N 377.234 4.371 30 40 GIEB Cc1c(/C=N/NC(N)=S)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 7277528 PHTDAUCKQQTMTQ-LSFURLLWSA-N 391.327 4.472 30 40 GIEB CCn1cc(/C=C2/Oc3cc(OC(=O)N(C)C)ccc3C2=O)c2ccccc21 9423291 UBXXDIBSZYVLSS-RGVLZGJSSA-N 376.412 4.338 30 40 GIEB C[C@H](NC(=O)CS/C(=N\C#N)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 13942151 VMWFGIYEFFZTRH-BZSISCHUSA-N 396.560 4.390 30 40 GIEB COc1ccc(Br)cc1/C=N\n1c(-c2ccccc2)n[nH]c1=S 15987735 ZMNNRHTZYVUDQN-ZDLGFXPLSA-N 389.278 4.261 30 40 GIEB C=C1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 16321877 JTJUKIHKTIFJBL-IWMXCVPLSA-N 386.532 4.367 30 40 GIEB N#Cc1ccc(/C=C/C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 52554627 DJLNMLIXHGVSCM-JXMROGBWSA-N 379.891 4.006 30 40 GIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1CC 59104547 LAKIRMREQXDMFO-DJOYVXLESA-N 396.560 4.472 30 40 GIEB C/N=C1/S/C(=C\c2ccc(Sc3nc4ccc(C)cc4[nH]3)o2)C(=O)N1C 59105191 XLHGKPQIQMDZRL-DXMVAZHNSA-N 384.486 4.147 30 40 GIEB CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 96936312 GTZQBVNSDHVHSG-HVEIJDALSA-N 382.441 4.048 30 40 GIEB C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C)ccc21 100875066 HGEODPGDLIRNGU-ZZEZOPTASA-N 385.286 4.148 30 40 GIEB O=C1CSC(=S)N1/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409346216 NROSTCCIWGNHAN-ZVBGSRNCSA-N 383.473 4.023 30 40 GIEB COc1cc(/C=N/n2cnnc2)ccc1OCc1c(Cl)cccc1Cl 948154 RUFCLKQETKLGHG-GZIVZEMBSA-N 377.231 4.055 30 40 GIEB C=CCSc1nc2ccccc2c(=O)n1-c1cc(OC)c(Cl)cc1OC 1568976 JENQNKUTSYVFJU-UHFFFAOYSA-N 388.876 4.334 30 40 GIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O1 2646955 XUMWQERUWBIJDL-HNSSHINMSA-N 391.206 4.482 30 40 GIEB CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)SC2=O)cc1 3082527 RRGCGFQJKYUHHW-DHDCSXOGSA-N 387.848 4.375 30 40 GIEB COC(=O)c1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(C)C2=O)cc1 4664496 JMVYTXSMPLFCFS-WBCKRXDOSA-N 380.469 4.324 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5900370 GMDXRYZCZHWBII-NDENLUEZSA-N 397.427 4.161 30 40 GIEB biogenic C=CCn1c(SCc2nccn2C(F)F)nc2ccc(Cl)cc2c1=O 9115004 OZWXTUHRSCOIGQ-UHFFFAOYSA-N 382.823 4.120 30 40 GIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 12406473 IBISBKYAIDVORC-XIKOKIGWSA-N 394.456 4.119 30 40 GIEB C[C@H]1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)c3ccccc32)C[C@@H](C)O1 12418014 HQIRBLVXPSNJDK-ZUEXFDECSA-N 399.494 4.374 30 40 GIEB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 19816809 NQVMSGIXYMIHOJ-HXHYHFERSA-N 397.474 4.402 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19960148 BIZNIRPTFDDRCE-XIKOKIGWSA-N 396.447 4.148 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(F)cc1 20868153 OYSVSOXOTWECDL-NRFANRHFSA-N 377.419 4.269 30 40 GIEB N#Cc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984119 YFOLENJXWJMRBC-UHFFFAOYSA-N 386.432 4.208 30 40 GIEB C#CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCc2ccccc21 47405905 ODVWDPPOOAIKNW-QHCPKHFHSA-N 398.510 4.050 30 40 GIEB COc1cc(/C=C/C(=O)c2cc(Br)ccc2F)cc([N+](=O)[O-])c1O 83921296 QGFDWHXESIKTOG-GORDUTHDSA-N 396.168 4.107 30 40 GIEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c1 101651197 VDFLWFNHMWXBMP-QCLNCQLRSA-N 381.501 4.202 30 40 GIEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(C)C1=O 110719788 WJGJRWJUQCFGAE-UXTWZOPHSA-N 391.452 4.408 30 40 GIEB O=C(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F 169795655 DKJHABFDJIRWIF-UHFFFAOYSA-N 376.093 4.170 30 40 GIEB C=CCOC(=O)c1ccc(OC)c(OCc2cccc(Br)c2)c1 226322220 KCDSMOGUCVVHEK-UHFFFAOYSA-N 377.234 4.380 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242464022 DTDQJTKBBHTPNA-VAMGGRTRSA-N 389.904 4.135 30 40 GIEB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253369443 CSBUEGHWYWGGEI-DGEDHZJDSA-N 380.532 4.306 30 40 GIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)N1CC 408929395 JFDKBNPAAMKLQS-HNPUNDFXSA-N 383.517 4.415 30 40 GIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1 4611098 RESBTQZKRPNRKR-RUDMXATFSA-N 379.153 4.096 30 40 GIEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)cc2Cl)cc1 4680551 GOZRNYXAUHLSAG-OCKHKDLRSA-N 379.272 4.431 30 40 GIEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 4996595 FULNHLGSXPDGAA-YUCJCZDXSA-N 391.855 4.069 30 40 GIEB Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 5348371 ZQANXOHQFQUNKG-FOKLQQMPSA-N 391.500 4.467 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 5799280 ORYQNXUXHRKLFS-LJQANCHMSA-N 394.427 4.282 30 40 GIEB C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 6677865 FTWLVZLRAUSHFF-GOSISDBHSA-N 396.516 4.223 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc(Oc2ccccc2)c1 7734866 XKCBSXVPGVVHOH-OTOIZHKDSA-N 392.455 4.090 30 40 GIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7777437 LVIIYJRGZQVTOX-LLVKDONJSA-N 385.395 4.366 30 40 GIEB COc1cc(C#N)ccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 8748452 QYTREBLWMUVDDB-UHFFFAOYSA-N 375.306 4.215 30 40 GIEB Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C 8987630 BEZOOAWWUHNIBB-UHFFFAOYSA-N 377.469 4.489 30 40 GIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 9420804 CNJXIXDVMFTINC-WHJAWBAWSA-N 391.423 4.125 30 40 GIEB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(C#N)cc1)OCCO3 10368485 LIDLSKGVKNXCNV-INIZCTEOSA-N 388.467 4.358 30 40 GIEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccc(F)cc3)C2)c1 20503306 YLSRTKGUUIPNPX-PZJWPPBQSA-N 399.469 4.145 30 40 GIEB biogenic,in-vitro C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1OC 40266863 ADNNEUMPEKLCSN-QGZVFWFLSA-N 391.402 4.156 30 40 GIEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 101351671 BXNFOBNRWXOKDB-BUUZQLDUSA-N 378.428 4.177 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)o1 408590154 GIQPTMJDKBYQGI-RGVLZGJSSA-N 397.343 4.322 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 2415373 HDKRICRDGRISIS-HTIXJGPSSA-N 381.501 4.248 30 40 GIEB Cc1ccc(-c2nn(CCC#N)cc2/C=C/C(=O)OCC(=O)c2ccccc2)cc1 2628675 QRKKUHNMRWFORM-OUKQBFOZSA-N 399.450 4.212 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cc(C)cc(C)c1 3298394 CUOJDZHLWJCQFZ-MAVBTGMRSA-N 393.512 4.450 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 4626403 TYGSOACVXFGKEH-YWZLYKJASA-N 389.492 4.205 30 40 GIEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/Cc1ccccc1 5645987 JOXWZCBGKARXEM-HYARGMPZSA-N 376.485 4.347 30 40 GIEB Cc1ccc(NC(=O)[C@H]2CC(O)=N/C(=N\c3ccc(Cl)cc3Cl)N2)cc1 9014011 SZFSIJQMWWGEKI-OAHLLOKOSA-N 391.258 4.246 30 40 GIEB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)Nc1sccc1C#N 12823348 KOHZHGHVDYSTSU-TZOMUSMUSA-N 399.476 4.167 30 40 GIEB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(C#N)c3)s2)cc1 12863930 HOCITKYEMQMAHS-YVLHZVERSA-N 394.887 4.385 30 40 GIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 13127808 MUTNBANEJCEGOY-SFHVURJKSA-N 395.436 4.128 30 40 GIEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 13721203 SUNMPNQVUVJDNG-JMIUGGIZSA-N 377.371 4.387 30 40 GIEB Cc1ccc(-c2cc(C(=O)NCC#Cc3ccccc3)c3c(C)noc3n2)s1 25583784 BRQRENCAXNXTPE-UHFFFAOYSA-N 387.464 4.350 30 40 GIEB Cc1nn(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c(C)c1Br 27924620 VGJYZLUUKZIXIM-UHFFFAOYSA-N 395.260 4.376 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 102877341 NQBBEOZXHSOONS-YDJIHCHBSA-N 397.471 4.170 30 40 GIEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223126059 AXMRZOKJVDKSRG-NRFANRHFSA-N 398.934 4.382 30 40 GIEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 716056 AEBCHTGWKIHYGT-CVKSISIWSA-N 394.434 4.339 30 40 GIEB Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccccc3)nc12 1464430 HEGWSIYSSPRFDR-KOEQRZSOSA-N 382.467 4.234 30 40 GIEB COc1ccc([C@@H]2C3=C(C[C@H](/C=C/c4ccccc4)CC3=O)Nc3ncnn32)cc1 9190061 KDQRDNBPQAAPFX-IKBBKNETSA-N 398.466 4.248 30 40 GIEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccs1 12787441 RBQJVKJALBHDOJ-QFIPXVFZSA-N 392.528 4.314 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O 13546678 LUXWXFYVJWLKML-YRNVUSSQSA-N 388.670 4.333 30 40 GIEB C=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F 104190638 UICPLTYKZIWRKQ-UHFFFAOYSA-N 388.148 4.034 30 40 GIEB CC(C)(C)OC(=O)C(C)(C)Sc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 198010835 RRKUDVLKCJVBCN-UHFFFAOYSA-N 378.343 4.198 30 40 GIEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 408740209 ALYSVJBIKZWTBF-ZVHZXABRSA-N 390.439 4.418 30 40 GIEB Cc1cnccc1CN1CCCC[C@@H]1c1csc(=Nc2ccc(C#N)nc2)[nH]1 585293031 CFMYHZSQYHTBNB-HXUWFJFHSA-N 390.516 4.006 30 40 GIEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(F)c3)n2)c1 662143 ROBXGTFQCGUEBK-UHFFFAOYSA-N 393.443 4.499 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 1369137 IGVGMJUCAUFERK-OALUTQOASA-N 380.517 4.327 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc2c(c1)OCO2 2393267 GOHABBIDMZFPIX-GRSHGNNSSA-N 392.388 4.312 30 40 GIEB N#Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 4883323 IGVGMJUCAUFERK-YQQQUEKLSA-N 380.517 4.327 30 40 GIEB CCOc1ccccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 6631356 WNHKUMBTQSHFFL-YYDJUVGSSA-N 384.439 4.304 30 40 GIEB CCc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 12413439 MJDBAPUVKYHXJW-UHFFFAOYSA-N 390.439 4.169 30 40 GIEB biogenic,in-vitro N#CCC[C@H](C#N)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 12562628 LPVZORWRSTVOFM-CQSZACIVSA-N 386.912 4.057 30 40 GIEB Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)ccc21 46882580 UBUJMVRYPMDSIM-UHFFFAOYSA-N 384.892 4.266 30 40 GIEB C=CCOc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 57363113 IYCCDZZPIKAZME-QFIPXVFZSA-N 391.471 4.360 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C)cc1 101650824 COCLDVJSNZEWJZ-QCLNCQLRSA-N 381.501 4.148 30 40 GIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 102875778 BUVSCHHQQWLPLA-MRJHHRETSA-N 385.419 4.322 30 40 GIEB CC(=O)OC1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1=O 118931516 ARFVBIQCDSDJCU-HGZZVRFESA-N 388.504 4.197 30 40 GIEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)c1 219793997 KMACMWJMTMJTDJ-UHFFFAOYSA-N 377.444 4.272 30 40 GIEB CC[C@H](C)Oc1ccccc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 408601273 JNOKINXWGWWBAM-XMTZNVEYSA-N 381.501 4.396 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N/c1ccc(F)cc1 409242679 XPAAXCLJVXRFFJ-HZMZRVLWSA-N 386.448 4.467 30 40 GIEB N#Cc1ccccc1COc1cccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1 589938238 KLCVFMBESVNMAX-QUCCMNQESA-N 390.405 4.073 30 40 GIEB COc1cccc([C@@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)c1OC 1653753 NGNMWZBDERUOGF-PKOBYXMFSA-N 390.501 4.444 30 40 GIEB Cc1ccc(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c(O)c1 4040014 MHFBNAPTWBHTGJ-HWKANZROSA-N 375.218 4.226 30 40 GIEB biogenic COc1ccccc1/C=C/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O 5825575 CEIDYMOUFKUDFM-RQIKSRJSSA-N 394.423 4.198 30 40 GIEB biogenic Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc(N(C)C)cc1 12445273 MNWCXWOXNFCIJM-YDZHTSKRSA-N 377.444 4.315 30 40 GIEB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3SCC#N)ccc(F)c21 14122268 DMKMXXGKFSWSAW-GFCCVEGCSA-N 384.432 4.149 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 19535413 NIVKXQPUNUJJTD-OAQYLSRUSA-N 382.504 4.419 30 40 GIEB N#Cc1ccc(OCCOC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 19606089 TYIGRSGBLVOSRF-SFHVURJKSA-N 383.469 4.065 30 40 GIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1nonc1N2 20717449 KWKVRDJQYOZDLC-KPZWWZAWSA-N 393.834 4.098 30 40 GIEB N#Cc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 32666451 CMNZJPWXTSVPDG-UHFFFAOYSA-N 387.395 4.436 30 40 GIEB CSc1nc(N)n(/C(=N/C(Cl)=C(Cl)Cl)c2ccc(C)cc2)n1 41097484 JIGHWRGXYZJQEP-WOJGMQOQSA-N 376.700 4.029 30 40 GIEB CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@H]1c1cccc(C#N)c1 84148722 NRSCPNIRYXOOIX-NRFANRHFSA-N 387.508 4.261 30 40 GIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 224725528 KIZPMNZODJXPKL-UHFFFAOYSA-N 386.698 4.484 30 40 GIEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1)c1ccco1 796011 XZVHHHDPBRHFSC-GOSISDBHSA-N 379.437 4.162 30 40 GIEB COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1Cl 3066554 XUIJPXOOMBLTGA-REZTVBANSA-N 385.601 4.476 30 40 GIEB COc1cccc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)c1 4628449 BFJZSFUXLDCVQC-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB N#CC1(NC(=O)COC(=O)/C=C/c2sc3ccccc3c2Cl)CCCC1 6607409 HEPLRZVOJZATHB-BQYQJAHWSA-N 388.876 4.064 30 40 GIEB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N 7171808 ZINXCFDQMUATMH-GFCCVEGCSA-N 395.513 4.197 30 40 GIEB Cc1nc(-c2ccc(CNC(=O)c3c(C)oc(-n4cccc4)c3C#N)o2)cs1 12619513 BQMYYUVQVHZUSY-UHFFFAOYSA-N 392.440 4.205 30 40 GIEB C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 14009911 XKIIKLXGIXAIEE-MFOYZWKCSA-N 390.270 4.480 30 40 GIEB CCCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1 14165094 COPQTCIDZQGUNT-SGTLLEGYSA-N 384.505 4.057 30 40 GIEB CCN(CC)c1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 16922606 KIZYRUXMNPOISF-HZHRSRAPSA-N 384.593 4.300 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(OC(F)(F)F)cc1 18200265 MWHRHSFNMAGJLV-CYBMUJFWSA-N 393.365 4.215 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccs1 19798496 VAFCCRUOBMQJCG-HXPMCKFVSA-N 385.510 4.344 30 40 GIEB COc1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1O 96930489 SZGPENHWHOQUFZ-WMZJFQQLSA-N 377.805 4.334 30 40 GIEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 225602717 PDMFNGYKINRHEF-LBPRGKRZSA-N 375.519 4.101 30 40 GIEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OC 408594697 JTESQXCJFAJPHQ-SRZZPIQSSA-N 389.249 4.279 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408902648 PEVLSCRCDBJJCA-GZTJUZNOSA-N 380.831 4.167 30 40 GIEB N#CC1(Cc2nc(-c3cc(Br)cc(Br)c3)no2)CC1 601399458 GVFJYGKYHRLGGA-UHFFFAOYSA-N 383.043 4.108 30 40 GIEB N#Cc1c(/N=C/c2cc(Br)c(O)cc2O)sc2c1CCCC2 1058240 HHFNSCYTYPBHFT-UFWORHAWSA-N 377.263 4.423 30 40 GIEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c1 4944942 RRXFCSWQIMVWGH-INIZCTEOSA-N 395.430 4.371 30 40 GIEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccccc3)C2)c1 5413590 RSQUVKQASSKEPB-RBBKRZOGSA-N 381.479 4.006 30 40 GIEB biogenic,in-vitro CCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 6635576 SLFBAXFESMERKD-SFHVURJKSA-N 397.500 4.195 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OC)cc1 6743278 FADUIHAZHDXJGQ-JOCHJYFZSA-N 389.455 4.139 30 40 GIEB Oc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 12570791 QDNIWWCMCNBRTF-ISURTVLTSA-N 375.453 4.498 30 40 GIEB N#Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 23660260 SZXWWCHKPKDCIO-VMPITWQZSA-N 375.409 4.062 30 40 GIEB C/C(=N\Nc1nncc2ccccc12)c1ccc(S(=O)(=O)C2CCCC2)cc1 96291427 YJKFPFLFHWVJPV-HZHRSRAPSA-N 394.500 4.182 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 102802985 RABNOOAYQARTNM-YDJIHCHBSA-N 388.398 4.155 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)SC1=Nc1ccccc1 252596991 CNEQSEXMXTVHDZ-VXMHBOQLSA-N 393.468 4.221 30 40 GIEB COc1cc(/C=N/c2ccc(C#N)cc2)ccc1OCc1ccc(C(=O)O)o1 409385443 LWZWKYHNBIXWOM-FSJBWODESA-N 376.368 4.188 30 40 GIEB CN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 504814540 VAJXHWVVPGCLAW-UHFFFAOYSA-N 384.361 4.035 30 40 GIEB CC(C)(O)C#Cc1ccc([C@H]2SCCN2C(=S)Nc2ccccc2)cc1 1101471 WZALPTJZAHLRKP-LJQANCHMSA-N 382.554 4.253 30 40 GIEB CC[C@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 2617283 XGPZIVIAPNCKDA-HOCLYGCPSA-N 396.512 4.420 30 40 GIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 3884882 DCBLWRXMEUMKIG-UHFFFAOYSA-N 386.256 4.073 30 40 GIEB C/C(=N/N=C1\N=C(O)[C@H](CC(=O)Nc2ccc(C)cc2)S1)c1ccc(F)cc1 4568552 CBZWBYFFKUWBIL-GHRPQRKGSA-N 398.463 4.315 30 40 GIEB CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(C)C2=O)cc1 4682474 MXCQTVXCCCVMSX-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 5016782 MKKKUXGYWPRCQY-GZTJUZNOSA-N 381.815 4.014 30 40 GIEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)[C@@H]1COc2ccccc2O1 6259518 HBGKDKAMQSVWEG-UFVMTTLYSA-N 388.876 4.051 30 40 GIEB N#C[C@@H](c1nc2ccccc2s1)c1cnn(Cc2ccccc2)c(=O)c1Cl 6756756 WAXCVTPCPXZVCW-CQSZACIVSA-N 392.871 4.210 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1ccc(Cl)cc1Cl 7186487 KMIWLXQFYJYRDL-JTQLQIEISA-N 385.320 4.007 30 40 GIEB C=CCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 7505057 AGBBANBQIZWGBG-UHFFFAOYSA-N 384.907 4.348 30 40 GIEB Cc1ccc(S(=O)(=O)[C@]2(C#N)Cc3ccccc3N(C)C23CCCCC3)cc1 7778755 AZGXYCPUXGIPBL-QHCPKHFHSA-N 394.540 4.427 30 40 GIEB N#Cc1ccc(F)c(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 13296624 FHJFPHGOLOJSCK-UHFFFAOYSA-N 379.395 4.258 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)c1c(O)n[nH]c1N2 18196457 SCLOGCMCRALPNA-ZBEGNZNMSA-N 381.432 4.274 30 40 GIEB CC(=O)Nc1cccc(/N=C2\NN=C(c3cc(C)n(C4CC4)c3C)CS2)c1 26144602 ZSWFWROGDYJYAS-UHFFFAOYSA-N 381.505 4.126 30 40 GIEB C=CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 95964735 OVBPJCJXEAGDRZ-UHFFFAOYSA-N 384.284 4.230 30 40 GIEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccc3ccccc23)cc1 100866915 UYVLLYAKGNDQCP-BXBPIDJQSA-N 389.480 4.314 30 40 GIEB C=CCSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 223682064 ZVVRVYCJHQTTLN-UHFFFAOYSA-N 389.930 4.481 30 40 GIEB C=CCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224370913 HBABNSSOLWRFEM-UHFFFAOYSA-N 398.528 4.084 30 40 GIEB COCCN1C2=C(C(=O)CCC2)C(c2c[nH]c3ccccc23)C2=C1CCCC2=O 408899377 UCTPJVNPWYQUPV-UHFFFAOYSA-N 390.483 4.228 30 40 GIEB CCCOc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(C)C1=O 409052135 GOHOEQBPYZJLDI-DLTWUOELSA-N 396.468 4.407 30 40 GIEB N#Cc1ccc(OC2CCN(c3ccnc(Cc4ccccc4)n3)CC2)c(F)c1 561395038 WUYRAMXEPLSCGE-UHFFFAOYSA-N 388.446 4.126 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8230166 WJLPNIOFNRLHBV-AWEZNQCLSA-N 388.452 4.340 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1F)c1c(O)n[nH]c1N2 18196459 FPNYLFXHEPSPBN-QFYYESIMSA-N 381.432 4.274 30 40 GIEB CCCCCCCNC(=O)/C(=C\c1ccc(OCC)cc1)n1ccccc1=O 59211781 LYAPRJKSSCLKIR-DYTRJAOYSA-N 382.504 4.332 30 40 GIEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677275 LUHKDHLABBTUAW-UHFFFAOYSA-N 379.416 4.316 30 40 GIEB O=C(O)c1ccc(Cl)c(/N=C/c2ccccc2I)c1 408550255 FHBKGQIPDNBDOL-CAOOACKPSA-N 385.588 4.393 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)cc1C 408843453 MTBCFXXNQCDUDP-HXUWFJFHSA-N 389.451 4.135 30 40 GIEB Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1nc(C2CC2)nn1C 571997260 MXAMDOJLOFWGEO-UHFFFAOYSA-N 375.451 4.219 30 40 GIEB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1085170 UORBWZZLNHSZFQ-BPUTZDHNSA-N 386.517 4.361 30 40 GIEB Cc1ccc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)cc1 3107003 VRCFTTWGOHSBRP-GFCCVEGCSA-N 381.194 4.128 30 40 GIEB Cc1ccc(S(=O)(=O)OC(COc2ccccc2)COc2ccccc2)cc1 3187387 FHWFKAUEDNQWBY-UHFFFAOYSA-N 398.480 4.227 30 40 GIEB CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 6608959 LPZCIABZUNQPNJ-SFHVURJKSA-N 391.496 4.335 30 40 GIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2cc(Cl)ccc21 6658696 KRLHSNXFWZHZIY-HSZRJFAPSA-N 391.854 4.486 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 7564419 OVXXIYAMCYPTEW-UHFFFAOYSA-N 377.425 4.019 30 40 GIEB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 7814941 GKVGUMZSZNVRBV-UHFFFAOYSA-N 391.452 4.074 30 40 GIEB CCc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 8058006 NGGRCGYRPFNJHA-FQEVSTJZSA-N 382.510 4.250 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1 10325869 SPZKHSXAMMZCET-LJQANCHMSA-N 385.467 4.366 30 40 GIEB CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)N(C)C 13069232 OHBNACVFWDTXCV-ZHACJKMWSA-N 387.863 4.102 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccncc1 16807839 JBOLVMXJCRPUGH-UHFFFAOYSA-N 397.479 4.095 30 40 GIEB COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 18197241 DJJZSQBZJYOPFA-FQEVSTJZSA-N 380.400 4.177 30 40 GIEB Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(C(=O)C(C)(C)C)[C@H]1CCCCN21 102329980 GQPAZQIRBDLIEU-XXBNENTESA-N 376.504 4.221 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 102863645 NCKGBBXQPYFKOY-MRJHHRETSA-N 384.435 4.012 30 40 GIEB CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 408932407 WVIHJAPWWZXPGB-KGENOOAVSA-N 389.293 4.435 30 40 GIEB Cc1c(/C=N/N2C(=O)CSC2=S)c2ccccc2n1Cc1ccccc1F 409350757 SLOIWLHPUJLWQO-LSHDLFTRSA-N 397.500 4.331 30 40 GIEB CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 702482 BHYJUYAFTVQZKI-OAHLLOKOSA-N 381.501 4.001 30 40 GIEB COc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1 1404337 MKHJYTXVDZGBMJ-MUUNZHRXSA-N 394.427 4.125 30 40 GIEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1[N+](=O)[O-] 4047994 SAYTVXGLRLZBBT-UFFVCSGVSA-N 394.391 4.060 30 40 GIEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)c1C 8078891 QNRDAWJJGSSVQG-VOTSOKGWSA-N 377.824 4.072 30 40 GIEB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccc(C#N)c2)cc1 10950723 JPWDABSTVZASFG-QHCPKHFHSA-N 383.451 4.376 30 40 GIEB CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2CC)cc1 13424089 FZKXGIBVTLKGSE-GLEDVZQVSA-N 397.500 4.066 30 40 GIEB Cc1noc2c1[C@H](c1cc(Br)ccc1F)C1=C(CCCC1=O)N2 13727458 COQJZYGNPZPHSS-HNNXBMFYSA-N 377.213 4.449 30 40 GIEB O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1nonc1N2 20718160 JOOHHYFZFYYVPD-FQEVSTJZSA-N 388.427 4.234 30 40 GIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N1CC 59104239 CYDDSJVVNCSFNL-ICSPAVNMSA-N 384.457 4.265 30 40 GIEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 96346450 UZYYCMIAZOEUJL-SFTDATJTSA-N 384.483 4.140 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 100455359 ZTOJOYVGVCUNKQ-MRJHHRETSA-N 393.483 4.268 30 40 GIEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1CC 102420422 XJBWWMHPRUWPCC-ZREAOVPFSA-N 397.500 4.147 30 40 GIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224758258 WUOIIVFFBYARRR-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 253567081 JRLBFKVQXGCDGT-FYHOCBRTSA-N 380.831 4.131 30 40 GIEB COc1cc(C)c(/C=N\c2ccc(I)cc2)cc1OC 408548089 DFBQDSNVQYXDGM-ZDLGFXPLSA-N 381.213 4.367 30 40 GIEB Cn1cccc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409277458 AZGKHQHTKFZICQ-UHFFFAOYSA-N 396.372 4.303 30 40 GIEB O=C(O)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 1473765 BGVOSNVQWAJEBO-YZSQISJMSA-N 397.478 4.106 30 40 GIEB Cc1cc(C)nc(N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)n1 4878796 VGOSXHONTHNVKE-CIAFOILYSA-N 377.404 4.027 30 40 GIEB Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 12603333 VUKNFNUFLAFLFJ-CRAIPNDOSA-N 383.883 4.301 30 40 GIEB biogenic,in-vitro COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C#N)n2)cc1 14152988 JVYITTAZSVOTJB-UHFFFAOYSA-N 390.468 4.063 30 40 GIEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OCC)c1 19923519 SWXHWRUUXYKZOL-FOIQADDNSA-N 389.492 4.292 30 40 GIEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1 35043487 OSCNFXDLOLXSKO-XDHOZWIPSA-N 396.468 4.351 30 40 GIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(C(=O)O)cc1 35647148 TZGJWPMNNQRKFC-NTEUORMPSA-N 392.358 4.295 30 40 GIEB C=C(C)CN(CC)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 40141813 HINMRDGBZJSGHC-UHFFFAOYSA-N 391.265 4.333 30 40 GIEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccccc2)n1 102486724 AHLODUKJSKXMHH-SELCWUDQSA-N 376.437 4.078 30 40 GIEB C/C(C(=O)c1ccc(Cl)cc1)=C1/Nc2cc(Cl)cc([N+](=O)[O-])c2NC1=O 104238058 IRKCJGGGNAWLRI-ZSOIEALJSA-N 392.198 4.423 30 40 GIEB COc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 104740976 AQWNCLDMYQTLAB-HXUWFJFHSA-N 387.435 4.005 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 409108136 VGLJENMNHZNWEL-GZTJUZNOSA-N 383.425 4.264 30 40 GIEB CCOc1ccc(/N=C2/S[C@H](Cc3ccc(OC)cc3)C(=O)N2CC)cc1 409143013 SZWDHVYCQDDCTK-XKXPVHLMSA-N 384.501 4.288 30 40 GIEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccc(Cl)cc2)c1C#N 817966 RJTNMSHOTMLLND-UHFFFAOYSA-N 387.892 4.460 30 40 GIEB CCc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 903740 IVCUQCQWNQUISA-UHFFFAOYSA-N 384.863 4.282 30 40 GIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cc(Cl)ccc3Cl)c2)c1 5862074 LJAYAWRVBSARBS-UHFFFAOYSA-N 399.233 4.261 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccc2cc(Br)ccc2c1 6643821 ANBDHIMKJICYKQ-GOSISDBHSA-N 375.266 4.036 30 40 GIEB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C(=N\c2ccccc2)N1 6816320 FTEJKJUZJUHKHX-CQSZACIVSA-N 394.283 4.241 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 20841970 BSTIQFBNTRDSIA-UHFFFAOYSA-N 383.542 4.022 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 97104871 AWOQOWCGIVPNST-UGKGYDQZSA-N 398.430 4.162 30 40 GIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 103098599 VIGSHLNAPFLZSG-WOOAAIBNSA-N 383.419 4.056 30 40 GIEB COc1cccc(/C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1O 104104026 ZGHZQDIFNXNVEW-HMAPJEAMSA-N 396.468 4.261 30 40 GIEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805493 RTBGIMNCBWBLGZ-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB COc1cc(/C=C2\CC/C(=C(/O)C(F)(F)F)C2=O)cc(Br)c1O 408564217 WIFOPYDMMUSXBW-KXXDCUPXSA-N 393.155 4.284 30 40 GIEB O=C(CO/N=C\c1ccccc1OCc1cccc(F)c1)Nc1ccccc1 409377246 GYJIBONPXOYXAR-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c1C#N 1026990 CWDIYTWBEQDUFW-UHFFFAOYSA-N 396.299 4.446 30 40 GIEB C=C(C)[C@@H]1CC=C(/C=N/n2c(O)nc3c([nH]c4ccc(Cl)cc43)c2=O)CC1 8768992 NNCVNBRMBRECBB-HKXVIOCSSA-N 382.851 4.373 30 40 GIEB biogenic COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@@H]2C)C1=O 16810029 CAEYRKUXZWZVOL-MNAFEPAFSA-N 379.456 4.391 30 40 GIEB biogenic CN(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682381 RNIQDJHIYCOASO-ZXVVBBHZSA-N 396.538 4.474 30 40 GIEB CCCc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 26779524 LPQTUSVHCZOBIB-UHFFFAOYSA-N 386.499 4.410 30 40 GIEB C=CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccc(Cl)s1 32753328 HRADGPZTDZGCAH-UHFFFAOYSA-N 380.300 4.251 30 40 GIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C(C)=O)c3)nc2c1 35289029 ROWBEARTEUGSFJ-UHFFFAOYSA-N 391.452 4.048 30 40 GIEB C#CCOc1ccccc1CN(C)C(=O)NCC1(Sc2ccccc2)CC1 72274867 VZHMDTWBISXLQH-UHFFFAOYSA-N 380.513 4.165 30 40 GIEB C(=N\CCCCCC/N=C\c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 104063617 ZWPDHGGXVIGYSN-GACBQCINSA-N 380.444 4.242 30 40 GIEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)F)c1C#N 408543847 RVBHMRWRRAVATP-UHFFFAOYSA-N 377.416 4.077 30 40 GIEB CC[C@H](C)Oc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1Br 408852538 HFLQBTAWAKSSNM-TTWMJKOBSA-N 383.311 4.158 30 40 GIEB C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(F)cc1 409327045 HBRUTLRWYAMNOR-UHFFFAOYSA-N 385.464 4.483 30 40 GIEB C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 513026493 BTWZRADNZKALCQ-SCLBCKFNSA-N 376.382 4.093 30 40 GIEB CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC 727028 PITIDJZLCLSERK-FSJBWODESA-N 398.484 4.200 30 40 GIEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 1267149 OACBYFKONPKCQU-HNNXBMFYSA-N 376.382 4.263 30 40 GIEB N#Cc1cc2ccccc2nc1SCC(=O)NCCc1c[nH]c2ccccc12 1331063 AVMVUALSLINSFR-UHFFFAOYSA-N 386.480 4.039 30 40 GIEB C[C@@H](NC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 2370425 JHAUZUIBRFOYAR-MJGOQNOKSA-N 399.498 4.105 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4936268 SKIICEXDXCHFEE-OJIBODITSA-N 381.501 4.248 30 40 GIEB CC(C)c1nc(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(N(C)C)n1 5849740 OGIZHCNYSMMSLS-CIAFOILYSA-N 394.435 4.280 30 40 GIEB C=CCn1cnnc1S[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 6589840 KHSLTMOPJYOGMF-IBGZPJMESA-N 392.484 4.139 30 40 GIEB N#CCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc21 6650268 ASPVFFBAFPWOHC-UHFFFAOYSA-N 376.485 4.169 30 40 GIEB CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 6785507 ONFHBDCYPCBUHB-QFBILLFUSA-N 397.496 4.068 30 40 GIEB N#CCCn1cc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 7977820 YXIPGAHFWMUPDB-RMKNXTFCSA-N 378.363 4.254 30 40 GIEB C=CCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 8470225 OXUBQFFOUARVKT-UHFFFAOYSA-N 380.257 4.451 30 40 GIEB CCOC(=O)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9423900 ZMXCFAXBFSAFRX-RGVLZGJSSA-N 391.423 4.045 30 40 GIEB C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC1CCCCC1 9483207 LUCXIBWBQGMSQW-INIZCTEOSA-N 395.547 4.399 30 40 GIEB N#CCC[C@@H](C#N)CSc1nnc(COc2ccccc2Cl)n1C1CC1 15243272 TWSZYYCOXKDERC-ZDUSSCGKSA-N 387.896 4.381 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1Br 18200385 WCJRISAHUZOMQF-ZDUSSCGKSA-N 388.265 4.078 30 40 GIEB C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)n[nH]c1=S 24830297 BHOCBGMMWLHQGI-UHFFFAOYSA-N 391.909 4.080 30 40 GIEB N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)c3cccs3)c2)cc1C#N 35140514 TYSHJYCEBCRBJP-UHFFFAOYSA-N 388.404 4.323 30 40 GIEB CCc1nnc(S)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611449 XRKCWQDQCOKUSD-UFWORHAWSA-N 397.287 4.490 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1 50608847 FTDCJHXZFDTIHH-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB CCOc1ccc(/C=C/C(O)=N/S(=O)(=O)Cc2cccc3cccnc23)cc1 95447820 KZTJXXDSMCGYRS-JLHYYAGUSA-N 396.468 4.133 30 40 GIEB CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2cc([N+](=O)[O-])ccc2O)cc1 100245462 DJDBMWXQOKCGDG-AQTBWJFISA-N 396.399 4.214 30 40 GIEB biogenic,in-vitro CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 101661337 BVTOFXVSGVAVKX-HXUWFJFHSA-N 393.915 4.258 30 40 GIEB CCOc1ccc(Br)c(/C=N/c2ccc3oc(=O)ccc3c2)c1O 2067908 AMNQPJQVCLJXQL-KEBDBYFISA-N 388.217 4.410 30 40 GIEB Brc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1 4380221 DMLBSWLSSJTCLQ-UDWIEESQSA-N 393.248 4.024 30 40 GIEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 5864495 KCVWKADFQFXOKQ-OAHLLOKOSA-N 399.541 4.310 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OC)c1OC 6922357 NTURCPZQKDLJNF-WQRHYEAKSA-N 398.484 4.221 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)n(Cc2ccco2)c1C 7607454 HTOCIVCNPWYJSK-RTBURBONSA-N 394.519 4.069 30 40 GIEB Cc1c2c(cc3c1O/C(=C/c1ccccc1)C3=O)CN(Cc1cccnc1)CO2 62001280 PFVJOXVULCULMU-UFFVCSGVSA-N 384.435 4.358 30 40 GIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F 97104931 PNTDIEXDDQEUDV-AVRDEDQJSA-N 398.430 4.162 30 40 GIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1 103459117 JNZCUNACGHGWKK-MLSMKVKPSA-N 387.549 4.366 30 40 GIEB COc1ccc(C(=O)/C=C\Nc2ccc(I)cc2)cc1 104727002 WSCFPUOXAHJPBZ-KHPPLWFESA-N 379.197 4.108 30 40 GIEB COc1ccc(CN/N=C(\C)c2ccc(Br)c(C)c2)cc1OC 216059698 AFKAYCFETHYNSU-FYJGNVAPSA-N 377.282 4.289 30 40 GIEB O=C(O)c1cc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)ccc1Cl 409104654 GNOGDKJUHIGQSF-FMQZQXMHSA-N 399.584 4.165 30 40 GIEB N#Cc1ccc(CSc2nc(=O)cc(O)n2C2CCCC2)c(C(F)(F)F)c1 594889594 LFMRPLKJBBWSMH-UHFFFAOYSA-N 395.406 4.247 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1C[C@@H]31 1529314302 BBQKUOPRSPNSMM-APGGELSUSA-N 392.458 4.380 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[C@H]2O[C@H]2c2ccccc2)cc1 1718919 PSLFAUHUATXKOR-FCHUYYIVSA-N 394.448 4.086 30 40 GIEB O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 3295700 IFDYRUHHEJYBLQ-UHFFFAOYSA-O 396.423 4.072 30 40 GIEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O 4898319 ZSQAYGRPPVGMCI-NVHJWRPJSA-N 385.464 4.078 30 40 GIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1 5869412 KIXPJLIRYRGPEK-UHFFFAOYSA-N 394.500 4.082 30 40 GIEB CCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccccc2)cc1 12389355 NQDMXKOFTSLCEK-OWSFEGEDSA-N 376.456 4.338 30 40 GIEB C/C(=N\NC(N)=S)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12660043 GAYVUWZJMHOLMM-OQJWRYGUSA-N 391.625 4.215 30 40 GIEB biogenic Oc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N\Cc2ccccc2)c(O)c1 15978066 MOPGFLFQOQOVAE-WUWLJUPKSA-N 391.452 4.204 30 40 GIEB CCN(CC)C(=O)[C@H](Sc1nc(C)c(C(C)=O)cc1C#N)c1ccccc1 32741628 LXKYHIWUKSKZSC-LJQANCHMSA-N 381.501 4.166 30 40 GIEB COc1cc(C(=O)/C=C/c2cccc3c2OCCCO3)ccc1OC(F)F 53105527 FMWWVIWINMXQKX-SOFGYWHQSA-N 376.355 4.354 30 40 GIEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223130607 CVQUIBCGVHTKPV-OAQYLSRUSA-N 398.934 4.238 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCOC2(C)C)cc1 596714943 VVILRIXZPCDWNP-MRXNPFEDSA-N 395.459 4.296 30 40 GIEB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 1098629 IHCWFAAPLSXVNR-UDWIEESQSA-N 383.407 4.220 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3ccc(C#N)cc3)NC2=O)ccc1OC(C)C 2798691 NSOYIARRELLWME-ODLFYWEKSA-N 393.468 4.246 30 40 GIEB O=C(N/C=N/O)[C@@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3125354 YMSBYEPYWWDKMQ-LBPRGKRZSA-N 392.164 4.073 30 40 GIEB COc1ccc2c(c1)OCC/C2=N/OC(=O)c1cc(SC)ccc1Cl 4413741 UXQVEQTXZZRTJJ-SILNSSARSA-N 377.849 4.414 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1C 4849075 SIYNYOQTETUTOI-UHFFFAOYSA-N 375.497 4.174 30 40 GIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 6005321 JIKMAMDNEXYUNM-LRDDRELGSA-N 381.501 4.225 30 40 GIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1c(F)cccc1Cl 9481944 LQLFREPQTKSCRK-UHFFFAOYSA-N 399.878 4.315 30 40 GIEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 10010804 FHFLCXJRYNSKHF-VQHVLOKHSA-N 390.230 4.078 30 40 GIEB CCCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1ccccc1 17167404 LCLHMDBAPSDZDU-DLTWUOELSA-N 396.468 4.164 30 40 GIEB N#Cc1ccc(C(=O)Nc2cc(N3CCCCC3)ccc2N2CCCCC2)o1 19862637 FQGXFVDABCBEFW-UHFFFAOYSA-N 378.476 4.384 30 40 GIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OC 36360434 HJFPSYJEBFSIAP-KRWDZBQOSA-N 391.402 4.156 30 40 GIEB CCCCNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 100865928 LZWJUSCKNNMNAA-MLSMKVKPSA-N 381.501 4.129 30 40 GIEB CCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N 100932712 TTZICSZMVZCHBI-UHFFFAOYSA-N 390.572 4.460 30 40 GIEB N#CCOc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1 408741791 LDLKMLZIMJMTHH-RVDMUPIBSA-N 382.213 4.333 30 40 GIEB COc1cc(Cl)c(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OC 408874137 ZBEPNWGYQVPXIP-PXNMLYILSA-N 392.839 4.388 30 40 GIEB CN(C)CCCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N 2436162 MFSYDXMYKWHFMZ-UHFFFAOYSA-N 376.460 4.156 30 40 GIEB C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccncc1 3332501 UJBUCQIYIJZPHX-UHFFFAOYSA-N 378.501 4.426 30 40 GIEB N#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F 3578982 QVZXQWUEXFUBRM-UHFFFAOYSA-N 380.444 4.088 30 40 GIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1 4193768 ZJEQYWGJESTIPV-PDGQHHTCSA-N 398.484 4.166 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 4629647 PYEXRWGZYDPETI-SFHVURJKSA-N 385.485 4.142 30 40 GIEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@@]1(C)CC[C@@H](C(C)(C)O)O[C@@H]1C3 5663198 KQYZOQQWBTXSDF-ROKPMTFOSA-N 398.499 4.269 30 40 GIEB Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccccc1C(=O)O 13343728 OFJUJRSSRAKOQO-SSDVNMTOSA-N 389.436 4.014 30 40 GIEB Cc1nc(-c2cccc(NC(=O)c3ccc(NC(=O)CC#N)cc3)c2)cs1 14255495 KVHHGKIOSQNEMA-UHFFFAOYSA-N 376.441 4.223 30 40 GIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 19535415 NIVKXQPUNUJJTD-NRFANRHFSA-N 382.504 4.419 30 40 GIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)cc1OC 20759878 XOSALYYWAMYXNF-BKUYFWCQSA-N 395.455 4.012 30 40 GIEB biogenic CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2Cl)cc1OCC 34889130 LOCBQQFCWXEOCD-MTJSOVHGSA-N 376.840 4.127 30 40 GIEB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3SCCC#N)c2O1 95953504 IWJOFAJTSWEBCX-UHFFFAOYSA-N 382.485 4.423 30 40 GIEB CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 100374410 JSMAZWLKQZBIDF-KLPPEWMLSA-N 398.484 4.041 30 40 GIEB O=C1C(=Cc2cc(Br)c(Br)o2)C(=O)c2ccccc21 408955672 YJBCTGGAFRMYBS-UHFFFAOYSA-N 382.007 4.267 30 40 GIEB CCOc1ccccc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O 409133673 MYXYHOTULZDVCU-WJDWOHSUSA-N 386.860 4.139 30 40 GIEB CCOc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1O 409288473 AHHRLZBURXLYFL-UHFFFAOYSA-N 391.471 4.431 30 40 GIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 4435995 AKFAWBQEIQCKRJ-XIKOKIGWSA-N 382.876 4.409 30 40 GIEB Cc1ccccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 4616770 DBFKEZZPTLMYAW-DARPEHSRSA-N 399.410 4.122 30 40 GIEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 5009251 WBIDYXAQUZQQIA-UHFFFAOYSA-N 382.423 4.072 30 40 GIEB C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCCC2 6309922 MYNPVBWCNSXFEB-UHFFFAOYSA-N 377.853 4.416 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 6813077 NIAYDHBRRJWJLR-HXUWFJFHSA-N 389.407 4.072 30 40 GIEB CCOc1cc(/C=N/O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13747355 OLBAQTXURBRHOM-CAOOACKPSA-N 381.728 4.156 30 40 GIEB C=CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 13914796 XDAYHUGVJUMKBQ-LFIBNONCSA-N 384.819 4.011 30 40 GIEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCC[C@H](C)C2)C1=O 16810040 UTLQYUVEBNXDPN-RANIVTSPSA-N 379.456 4.249 30 40 GIEB biogenic N#CCCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)C1CC1 84432857 FPLWZFNREDOESG-UHFFFAOYSA-N 380.835 4.304 30 40 GIEB COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OCC#N 96635076 YFTPRCMAZZFLDR-XDHOZWIPSA-N 384.391 4.095 30 40 GIEB CCCC[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O 100842613 IWYLPXNBDRALDH-FTHOYRMOSA-N 388.514 4.197 30 40 GIEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)ccc1OC 218660320 MTRYBRGQAMBKJO-UHFFFAOYSA-N 377.444 4.054 30 40 GIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225002178 NJJDKXNXTBNVEK-UHFFFAOYSA-N 387.244 4.283 30 40 GIEB CCn1c2ccccc2c2cc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)ccc21 408598724 ACQYAGJBRTWPAV-UHFFFAOYSA-N 398.466 4.103 30 40 GIEB COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c(F)c1F 408629367 ZGUZZISJRLPPQR-UHFFFAOYSA-N 384.354 4.316 30 40 GIEB O=C(Cn1cc(/C=N/c2cccc3ccccc23)c2ccccc21)N1CCOCC1 408961013 KYTKKCXHBKIRPP-WGOQTCKBSA-N 397.478 4.404 30 40 GIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409138794 IATYOCYVLVMJMX-RCCKNPSSSA-N 392.503 4.019 30 40 GIEB C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CCC)cc1 6075922 DYOKCUFIRHAXFQ-FZKQIMNGSA-N 387.505 4.289 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccccc1 17145994 STBKEAFJLBFCFD-MRXNPFEDSA-N 380.400 4.065 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccccc1 18009724 ANGAKNILFPJQAN-IBGZPJMESA-N 377.371 4.197 30 40 GIEB O[C@@](CC#CCN1CCOCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 19911436 XNMABSVCRIVMPQ-MHZLTWQESA-N 397.518 4.315 30 40 GIEB Cc1ccc2[nH]c3c(SCCC(=O)Nc4ccccc4C#N)nncc3c2c1 25051947 TYRJOUGAZBULJQ-UHFFFAOYSA-N 387.468 4.412 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59166061 NXDMLIMKDBMLSS-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB CCCc1nc(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)O)n[nH]1 213383911 ZOEQPCLCKCJOPQ-YBEGLDIGSA-N 380.429 4.107 30 40 GIEB COc1ccccc1/N=C1\C(=O)c2ccccc2C(O)=C1n1nnc2ccccc21 2314435 DVRJCRYFPYJGLV-GFMRDNFCSA-N 396.406 4.293 30 40 GIEB C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 3487590 PSUMNXQOHAWBAB-UHFFFAOYSA-N 398.919 4.290 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccs1 4624829 VAFCCRUOBMQJCG-CWTRNNRKSA-N 385.510 4.344 30 40 GIEB Cc1cccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 4656609 YHCRHSVWRHFBFJ-FLFQWRMESA-N 399.410 4.122 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccs1 4905530 OEBCHRRLHPZMGX-INIZCTEOSA-N 391.514 4.203 30 40 GIEB CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2ncnn21 5245221 YNXISBGXFBSCMX-ZHRRBRCNSA-N 386.455 4.093 30 40 GIEB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1C 12850882 FCFWUYYLNZABNB-UHFFFAOYSA-N 391.500 4.035 30 40 GIEB CC(C)CSc1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)s1 39996291 NPXVZURTSRFCIY-CYBMUJFWSA-N 398.623 4.452 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)COc2ccc(Cl)c3cccnc23)cc1 40139180 RWBXXEZGAIQDPU-UHFFFAOYSA-N 396.874 4.490 30 40 GIEB O=C(/C=C/Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2 44842583 VCBNKIVTUJREHZ-MDZDMXLPSA-N 376.368 4.069 30 40 GIEB CCN(CCC#N)c1ccc(CNC2CCN(Cc3ccccc3)CC2)c(C)c1 58165456 FFWQPNKSUGFZOI-UHFFFAOYSA-N 390.575 4.489 30 40 GIEB O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)C1CC1 58306423 GMYGHBCNCGVTTN-QGZVFWFLSA-N 398.256 4.328 30 40 GIEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)CCCC1=O 100139549 BHMXKNYWWHQGBH-UHFFFAOYSA-N 382.504 4.383 30 40 GIEB CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102622034 SKYTZCGIAIQNAT-LRGYGIHKSA-N 383.488 4.488 30 40 GIEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Cl)c3)nc2c1 226344340 GHERKCAVBLZHRX-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COC1=C[C@@H]2OC(=O)CC=C2C=C1 253477367 FKBRWBRHJLISDV-RSBOXOOMSA-N 384.516 4.468 30 40 GIEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1[N+](=O)[O-] 408910705 XSLCAZKATRWWSS-KRICTJEJSA-N 383.429 4.146 30 40 GIEB N#Cc1ccccc1Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21 409067023 OROKNEUDKWJXGF-DHRITJCHSA-N 396.410 4.310 30 40 GIEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409079231 KPAZOIVOUPBBQA-KGENOOAVSA-N 399.402 4.308 30 40 GIEB O=Cc1ccc(C#Cc2ccc(C#Cc3ccc(C=O)cc3)c3nsnc23)cc1 1848350101 FUABZJFXIVNTSB-UHFFFAOYSA-N 392.439 4.116 30 40 GIEB CCCCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 3075075 XFUQIKIVMMELOD-UHFFFAOYSA-N 378.472 4.409 30 40 GIEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC 5499456 NXMIYYOUGYWWEO-UHFFFAOYSA-N 382.445 4.340 30 40 GIEB C=CCN(Cc1csc(-c2ccc(C)cc2)n1)S(=O)(=O)c1ccccc1 8395501 XYVQCGWFMQSLTR-UHFFFAOYSA-N 384.526 4.495 30 40 GIEB CCOc1cc2c(cc1NC(=O)c1c(C)oc(-n3cccc3)c1C#N)O[C@H](C)C2 12898061 ABMCLVYZQMLILD-CYBMUJFWSA-N 391.427 4.225 30 40 GIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2)c(OC)c1 20761472 PACHVSVPXGYMDW-BUVRLJJBSA-N 376.456 4.407 30 40 GIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Br)cc1 101231760 IUIRWKDGIWMWKB-GROYHEBESA-N 398.256 4.057 30 40 GIEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(OC)c1C 107921968 NJTVMRNXVHRSDW-MFKUBSTISA-N 399.450 4.271 30 40 GIEB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(CC#N)cc1 225686336 MSCVJXUSDZHXGL-GOSISDBHSA-N 381.501 4.350 30 40 GIEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757329 JQKJNHGDDXEFLW-UHFFFAOYSA-N 379.416 4.316 30 40 GIEB Cc1sc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(C#N)c1C 408626534 HXLFMRVOSGEKKS-UHFFFAOYSA-N 387.530 4.398 30 40 GIEB C=CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704322 LXSUGLYJASMSKY-FQEVSTJZSA-N 386.904 4.030 30 40 GIEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3c(C)cccc3C)N(C)C2=O)c1 1024189 FBNICSGIIJKYMF-JHGXHUTESA-N 381.501 4.202 30 40 GIEB C[C@@H]1CCc2c(sc3ncn4nc([C@@H](C)Oc5ccc(C#N)cc5)nc4c23)C1 2787122 ZYAGNUBWWFUDTF-CHWSQXEVSA-N 389.484 4.475 30 40 GIEB Cc1c(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cccc1[N+](=O)[O-] 4616771 IALUBQIWVZQBER-UHFFFAOYSA-N 387.395 4.437 30 40 GIEB O=C1N/C(=N\N=C\[C@H]2CC=CCC2)S[C@H]1Cc1ccc(SC(F)F)cc1 5157009 DCLVSAKJMCKMTK-QIDYCNHXSA-N 395.500 4.474 30 40 GIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 6003474 QPMKYLJSIBKXAD-BZNIZROVSA-N 399.491 4.364 30 40 GIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC 6149724 JOOMTRULGCWUFA-FQEVSTJZSA-N 379.456 4.382 30 40 GIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6565358 JZYVVQJSORNNFU-LJQANCHMSA-N 392.386 4.213 30 40 GIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 6658599 GMLFDFZNFDVYMF-SPLOXXLWSA-N 392.409 4.280 30 40 GIEB CCc1cccc2c(C(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)c[nH]c12 9227462 KYIHCIFPUPAORX-UHFFFAOYSA-N 377.469 4.364 30 40 GIEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 11456617 IUQUEPHVERRTHP-KSFYIVLOSA-N 380.444 4.079 30 40 GIEB COc1cc2c(cc1OC)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 18197475 NKZOSICLGDXSRR-QFIPXVFZSA-N 378.472 4.334 30 40 GIEB C=CCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408807596 CUJFMTYCTCUVRG-ZSOIEALJSA-N 398.278 4.079 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1c2ccccc2cc2ccccc12)[C@@H]1C[C@@H]31 408872205 BBQKUOPRSPNSMM-IFQWMDHTSA-N 392.458 4.380 30 40 GIEB O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCCC1 674805 RGNDTPLNKQDSRG-GZTJUZNOSA-N 399.335 4.046 30 40 GIEB CC(=O)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 1397249 HDURRQKUTLRNLV-KQWNVCNZSA-N 396.752 4.173 30 40 GIEB Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccco2)c1 5347123 RSHYBHAETQTHME-LJQANCHMSA-N 398.422 4.224 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 6909871 SNVCCFWDTHJBMO-GHMZBOCLSA-N 399.347 4.437 30 40 GIEB Cc1ccsc1/C=N/Nc1nc2nonc2nc1Nc1cccc(C)c1C 8415246 LSIWFYINMSKPCX-DJKKODMXSA-N 379.449 4.189 30 40 GIEB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4sccc4C#N)cc3c2C1 9114227 UPFBJIHZEQPHIX-LBPRGKRZSA-N 393.468 4.021 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)ccc1O 20027253 ACLDAAVJGYXSLV-GOSISDBHSA-N 389.879 4.213 30 40 GIEB N#CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 32210486 GMJXSGOSMATBQJ-UHFFFAOYSA-N 381.233 4.158 30 40 GIEB FC(F)c1nnc(S)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 35678966 RHCAKZVPTWAFSF-ZVBGSRNCSA-N 390.415 4.047 30 40 GIEB CCC[C@](C)(CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1OCCO1 72306241 YZTIVIOARAIEBQ-OAQYLSRUSA-N 390.528 4.196 30 40 GIEB CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 83434034 OPQRFPHLZZPCCH-LTGZKZEYSA-N 397.645 4.461 30 40 GIEB in-vitro C=C(C)CSc1nnc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104199232 BEYGDVCHUMESAC-RFGFWPKPSA-N 383.608 4.239 30 40 GIEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)C(=O)N1C 408964399 CDDLFZQFRWTSPC-DRPNJFNCSA-N 376.485 4.174 30 40 GIEB O=C(O)CCCC/C(=N\Nc1ccc(Br)cc1)c1ccccn1 675009437 HVLRKYUWWGSPLF-LTGZKZEYSA-N 376.254 4.305 30 40 GIEB N#Cc1ccccc1NC(=S)NC(=O)c1cc(-c2ccco2)nc2ccccc12 3281277 XNLONVZGTQRZSA-UHFFFAOYSA-N 398.447 4.493 30 40 GIEB CCCCCCc1ccc(OCCOc2ccc(/C=N/NC(N)=S)cc2)cc1 4599894 URZWPCNDZZBVQD-JJIBRWJFSA-N 399.560 4.434 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(C)cc2)C2=C(C[C@H](C)CC2=O)N1 4944096 CIKSFOZLSBNQIW-NYHFZMIOSA-N 387.483 4.243 30 40 GIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(C)cc4)nc3c2[C@H]1c1ccco1 5345153 MZXKISCSOQUMAP-SFHVURJKSA-N 386.411 4.080 30 40 GIEB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 6946479 SMDFSCIKJOGUTH-HNNXBMFYSA-N 399.450 4.027 30 40 GIEB N#Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2F)cc1 14354083 FKGFWCQVZDYAJB-UHFFFAOYSA-N 398.434 4.228 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(F)cc2)cc1 16741344 UDINUQUTXMEMRJ-HXUWFJFHSA-N 393.414 4.155 30 40 GIEB C/C(C(=O)c1ccc(Cl)cc1)=C1\Nc2cc(Cl)cc([N+](=O)[O-])c2NC1=O 17142005 IRKCJGGGNAWLRI-RIYZIHGNSA-N 392.198 4.423 30 40 GIEB O=C(/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 17161784 ODXUDQOXIGERFQ-ZBJSNUHESA-N 390.355 4.202 30 40 GIEB Cc1ccc(CN2C(=O)/C(=N/Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 100322674 YCFSWHAUUOSVBB-DARPEHSRSA-N 386.411 4.266 30 40 GIEB C=CCOC(=O)c1ccc(OC)c(OCc2ccc(Br)cc2)c1 226328762 SCNXPLOUKXJYNN-UHFFFAOYSA-N 377.234 4.380 30 40 GIEB COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3OC)c2C)cc1 3337465 SRIVZTPYYJGHFT-UHFFFAOYSA-N 390.439 4.245 30 40 GIEB CCN(CC)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 3953463 OWLRQXVAAJXZSI-OEAKJJBVSA-N 395.894 4.178 30 40 GIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 4285253 RAIKGIPXRTXRJV-NRFANRHFSA-N 395.499 4.419 30 40 GIEB CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 8438730 RMHKWGSOJCGNQY-LJQANCHMSA-N 375.465 4.046 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)cc1 13127066 UQYVXKHOXAEXQJ-KSFYIVLOSA-N 386.455 4.011 30 40 GIEB COc1cc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O 19682384 OEBNMGHOOCNHIT-ONUIUJJFSA-N 399.494 4.122 30 40 GIEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20611618 DXYFJLIDWRVMQF-LRXPYSHVSA-N 393.439 4.112 30 40 GIEB biogenic C=CCOc1ccc(-n2c(C)cc(/C=C3\S/C(=N/C)N(C)C3=O)c2C)cc1 59104324 WVRQEVIQVQQLHA-GWSFVKJMSA-N 381.501 4.191 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O 95471662 MPWWYKIJELSXPI-YGAJUMRDSA-N 399.491 4.469 30 40 GIEB N#CCc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210939 SIHGBPDTVADRPU-VIFPVBQESA-N 378.066 4.319 30 40 GIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 107996703 HFPFCOVXANVKPU-UFFVCSGVSA-N 382.316 4.390 30 40 GIEB COc1cc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)ccc1OCC#N 408718911 VEKJTGIDGOUYAW-GZTJUZNOSA-N 399.859 4.143 30 40 GIEB COc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1Cl 409089460 NUWKPCVVJYWCNI-REZTVBANSA-N 385.601 4.476 30 40 GIEB CCCCCCCCCC1=C(CSC[C@@H](NC(C)=O)C(=O)O)C(=O)[C@H](C)C1 1772591808 QHCLPKZUBORWGU-DNVCBOLYSA-N 397.581 4.355 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)c(C#N)c1C 1965109 IWGKEHXHJTWPDJ-UHFFFAOYSA-N 392.864 4.084 30 40 GIEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccco1 2395054 LVBJYKNNXJCIAH-UHFFFAOYSA-N 382.489 4.380 30 40 GIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cccc(C)c1 3400886 NSZKEHVHMWYFMI-QGZVFWFLSA-N 392.528 4.409 30 40 GIEB Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)n(Cc2ccco2)c1C 7607453 HTOCIVCNPWYJSK-RBUKOAKNSA-N 394.519 4.069 30 40 GIEB C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NC1CCCC1 7656974 LDQHDQKSHBMDSF-OAHLLOKOSA-N 394.496 4.314 30 40 GIEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)cc1 11913844 MJJZTWNQOFGNRP-HXUWFJFHSA-N 375.424 4.231 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 13482314 RTLPBYJEMADABF-CCMJGWDWSA-N 380.419 4.057 30 40 GIEB COc1ccc(N2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)CC2)cc1 16741553 DZCFLEJRORVVED-UHFFFAOYSA-N 394.862 4.202 30 40 GIEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 20797120 BMAVKRSCHMIBCI-GOSISDBHSA-N 382.807 4.476 30 40 GIEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)cc1 33011132 ZLHNESJICUTUGA-UHFFFAOYSA-N 387.508 4.380 30 40 GIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59136017 VDPXEIYPLIQKPY-NTCAYCPXSA-N 382.416 4.062 30 40 GIEB C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 65513835 ZKPXVHYASDNEGH-SJORKVTESA-N 385.504 4.154 30 40 GIEB C[C@H](/C(O)=N/c1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1cccc(Cl)c1Cl 82107419 RVUGDLIYPBIFIL-SNVBAGLBSA-N 393.274 4.272 30 40 GIEB Cc1cc(I)ccc1/N=C1\C=C(O)C(=O)c2ccccc21 100103658 BUDPAZRVHAHSTM-XDJHFCHBSA-N 389.192 4.359 30 40 GIEB Cc1ccc(OCc2nc(SCc3cccc(F)c3)nc(N)c2C#N)cc1 223687328 VYBKAEINUGPHRY-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C(=N\N=c1[nH]c2ccccc2nc1-c1ccccc1)\c1cnc2ccccc2n1 585086612 UONPPWLAAKFZHQ-MYYYXRDXSA-N 376.423 4.108 30 40 GIEB C=CCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2340709 WEUQDFCIVRRABS-UHFFFAOYSA-N 378.819 4.152 30 40 GIEB COc1cc(Cl)c(C)cc1-n1c(SCCC#N)nc2ccccc2c1=O 4389694 SSOPJPNPLFETBU-UHFFFAOYSA-N 385.876 4.362 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 4629624 GVXFYASDEXYCGE-SFHVURJKSA-N 385.485 4.142 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C)C2=C(C[C@H](C)CC2=O)N1 4944089 GLOLWJBZHYMUIN-RCDICMHDSA-N 387.483 4.243 30 40 GIEB O=C1N/C(=N\N=C\[C@@H]2CC=CCC2)S[C@H]1Cc1ccc(SC(F)F)cc1 5157012 DCLVSAKJMCKMTK-YRVDIDOUSA-N 395.500 4.474 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 5408986 JYSTTYUZXWSDLJ-KKSFZXQISA-N 393.483 4.078 30 40 GIEB N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1C#N 6526550 OEFCGPICVUIQSF-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB COCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccc(C)c1 6606956 OHYRPHRVPHQPJN-FQEVSTJZSA-N 392.528 4.435 30 40 GIEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1 6760812 GHBAQJWYHIXABF-UHFFFAOYSA-N 384.457 4.084 30 40 GIEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\Cc3ccccc3)N(C)C1=O)S2 100500512 YELZBWJBIWSDCS-KAXIZBKFSA-N 397.525 4.168 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1 100926354 NHOLDGJSIDSXOK-AFSSITGASA-N 398.528 4.232 30 40 GIEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc4c(c3)OCO4)c3ccccc32)o1 408540626 ALLPMAOXVFMOPR-RMORIDSASA-N 388.379 4.460 30 40 GIEB C#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409343609 HRZJGSRBVPSMAQ-CPNJWEJPSA-N 395.505 4.421 30 40 GIEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1 13137530 RNDDPEKIFLRFOS-RMKNXTFCSA-N 377.234 4.371 30 40 GIEB O=C(/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccco1)c1ccco1 15634650 YBWOHBIXICQUDS-HAVVHWLPSA-N 392.440 4.455 30 40 GIEB N#Cc1c(N)nc(SCc2ccc(Cl)nc2)c(C#N)c1-c1ccccc1 19853104 YJYDLXODROHMRG-UHFFFAOYSA-N 377.860 4.415 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409107977 UQRFVPSJVJRTTI-LDADJPATSA-N 396.468 4.103 30 40 GIEB N#CCOc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409300235 XYSHAMMVCIGFPE-UHFFFAOYSA-N 386.455 4.229 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2sc(C)cc2c1=O 641573 OJHHEQFCXBZCRL-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB CCc1ccccc1N/N=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4175475 GVORLNBMMRVUQO-LFVJCYFKSA-N 376.441 4.441 30 40 GIEB N#C[C@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 4325685 VKHLNGZODADABB-KRWDZBQOSA-N 378.476 4.103 30 40 GIEB aggregator COc1ccc(O)c(/C=N/N=c2/sc3ccccc3n2Cc2ccccc2)c1 4703549 ITDOZFUMUSVKSE-WSBZWDBJSA-N 389.480 4.400 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccc(O)cc3)nn1[C@@H]2c1ccccc1 6732561 GSSROZFPJXQEHO-HXUWFJFHSA-N 386.455 4.309 30 40 GIEB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N(C)C1(C#N)CCCCC1 9157751 CPDMVSBNMTUPLR-ZDUSSCGKSA-N 399.545 4.109 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 11456609 IUQUEPHVERRTHP-ZHRRBRCNSA-N 380.444 4.079 30 40 GIEB COc1ccc(/C(=N/O)c2ccccc2/C(=N/O)c2ccc(OC)cc2)cc1 17156148 MKJDSBCMBKUHCH-MMUCEYJRSA-N 376.412 4.157 30 40 GIEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 36611512 YPEVMWUZLCSFLM-UFFVCSGVSA-N 396.394 4.463 30 40 GIEB C=CCn1c(SCc2cc(=O)oc3cc(O)c(CC)cc23)nnc1C1CC1 36818969 OENWMXDIBBRVSQ-UHFFFAOYSA-N 383.473 4.008 30 40 GIEB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(C#N)cn2)CC1 40067630 GBSYZDTXXZFGLA-FQEVSTJZSA-N 381.451 4.046 30 40 GIEB C=C(C)CN(CC)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 72295270 LQPDEFJQZDIZNW-UHFFFAOYSA-N 388.309 4.162 30 40 GIEB C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OCC)c1O 409049743 ZWSQDTJVLZCBLM-NYAPKIOYSA-N 388.283 4.233 30 40 GIEB CCCOc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1 409052920 DZEHBNTVXOJIGN-WBCKRXDOSA-N 396.468 4.407 30 40 GIEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc2c(c1)OCO2 647681 YGRNFNBJDRWLEN-RBBKRZOGSA-N 399.446 4.458 30 40 GIEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)S2)cc1 6870403 ZIMMIAMGNRGJDH-UYRXBGFRSA-N 398.484 4.384 30 40 GIEB Cc1nc2n(n1)[C@@H](c1ccccn1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 7496234 NMHMDHSEQNLVHD-VLIAUNLRSA-N 391.862 4.051 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)n1 7781415 WHNMVRXSIBWSRN-AWEZNQCLSA-N 384.486 4.087 30 40 GIEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccc(F)cc2)cc1 8559213 LKYSHYCMNQURAS-VGOFRKELSA-N 388.446 4.450 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3OC)c2)c1 12982161 HZPXZDNWQWUDDW-UHFFFAOYSA-N 385.419 4.134 30 40 GIEB N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37210635 SRRQKDVVKZMCFO-HXUWFJFHSA-N 379.510 4.267 30 40 GIEB COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCO4)n2)cc1 66544313 PQDHUIXTLGLPEX-KRWDZBQOSA-N 376.437 4.244 30 40 GIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2CC)cc1 101505181 QXAZIEVCWVUFSL-VJGKAAADSA-N 396.468 4.193 30 40 GIEB Cc1ccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 101654481 KCHIJMWWLUNRIY-FLFQWRMESA-N 399.410 4.122 30 40 GIEB C=CCSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 223134671 TWFVVUABTCAKEF-UHFFFAOYSA-N 388.562 4.300 30 40 GIEB CC(C)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408740789 ICWFSPOSIZDTJY-CBVHTYNASA-N 399.903 4.230 30 40 GIEB Cc1cccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1 408928984 GGZDCVCWADOPKD-PKEPYMRNSA-N 393.512 4.065 30 40 GIEB FC(F)c1nnc(S)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 2791068 ITHANHMCJBGMKW-FBCYGCLPSA-N 384.795 4.212 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 4312032 NLKSBDASVHXQHQ-NRFANRHFSA-N 385.419 4.484 30 40 GIEB Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 13551807 WIJHENCDNLUGRH-BTYIYWSLSA-N 388.423 4.352 30 40 GIEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccc3F)CC2)CC(C)(C)C1 95533049 PXLSRJKJVODEMP-GUDVDZBRSA-N 394.600 4.478 30 40 GIEB Cn1/c(=N\N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)sc2ccccc21 103736873 CMLUYOQLHXYYOK-OJKLJAQXSA-N 398.491 4.092 30 40 GIEB CCCCCCCCCCCCNC(=O)c1c(O)n2cc(C)ccc2nc1=O 226821708 PNRWRKWIHFHRMD-UHFFFAOYSA-N 387.524 4.359 30 40 GIEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2nc3ccccc3n2C)o1 408648736 CJIMAWVMMHPIQE-CIAFOILYSA-N 375.388 4.496 30 40 GIEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1cccc(Br)c1 5590476 SBADLYNPBIWORW-ZROIWOOFSA-N 375.247 4.046 30 40 GIEB C=CCN(C(=O)/C=C/c1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 7988372 ZDFDBKKARLIISX-CSKARUKUSA-N 382.485 4.026 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21123989 ZRFYZCMMEDFFJW-AWEZNQCLSA-N 382.304 4.157 30 40 GIEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)COP(=O)(O)O 36178158 DUYSYHSSBDVJSM-NVGHFZOBSA-N 379.478 4.041 30 40 GIEB endogenous,in-man C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1SCCC#N 95953565 RTBGAHMYZGKKNV-UHFFFAOYSA-N 377.469 4.148 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1C 97105030 NPLNXDJTEIHPCD-NZQKXSOJSA-N 394.467 4.332 30 40 GIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 100339832 AXGLADQVUKIHHX-FZNKKJTISA-N 388.467 4.158 30 40 GIEB CCCC[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O 101219071 GOAYWCOHAUMVFY-NRTINQSCSA-N 388.514 4.070 30 40 GIEB C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979188 PRQZBUPQIJUGFM-UHFFFAOYSA-N 383.455 4.434 30 40 GIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2C)CC1=O 4910330 IKVQLQFJKPHEQN-LJQANCHMSA-N 389.499 4.316 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OCC 6439908 XKQNSZIMMVWSRG-NFBKMPQASA-N 394.467 4.413 30 40 GIEB CCN(/N=C/c1cc(Br)ccc1O)c1cc(C)c(C#N)c(Cl)n1 12411812 IZYRFMXZIMDAMX-AWQFTUOYSA-N 393.672 4.244 30 40 GIEB C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC 54702547 YYOGJERXSWNXAS-JOCHJYFZSA-N 387.439 4.426 30 40 GIEB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 59461566 KMAIVAYGPDPURG-QAXBLZQQSA-N 375.472 4.187 30 40 GIEB N#Cc1cccc(OCCCCC(=O)N(Cc2cccc(O)c2)CC2CC2)c1 78993763 AAZJVPXRSSEMBQ-UHFFFAOYSA-N 378.472 4.252 30 40 GIEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 226344486 WZFHFJIWNNGWGG-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1F 408750963 UPMOLEQQRCFPJL-KSEXSDGBSA-N 396.378 4.163 30 40 GIEB C[C@H](Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 600617695 NHSSSEFDZRJRCJ-OLZOCXBDSA-N 396.878 4.121 30 40 GIEB C=CCOc1ccc(CN(C)C[C@H](O)COc2cccc3ccccc23)cc1 3390777 XIKYZTGDAQDTNU-NRFANRHFSA-N 377.484 4.276 30 40 GIEB FC(F)(F)c1cccc(/N=C(\S)NN/C(S)=N/Nc2ccccc2)c1 6575337 LLNRRAXZLOYAFM-UHFFFAOYSA-N 385.440 4.030 30 40 GIEB COCCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 8394861 ZVQPGOVWVBIHSM-UHFFFAOYSA-N 384.892 4.409 30 40 GIEB C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F 16125469 PXAJNJUAUSATPJ-SJORKVTESA-N 388.307 4.366 30 40 GIEB COC(=O)/C(C#N)=N/C(=C/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1 17108594 AWLYLESJISVDAJ-ZAWBDHGCSA-N 385.467 4.477 30 40 GIEB Cc1ccccc1-n1nc(C)c(CN(C)c2ccc([N+](=O)[O-])cc2C#N)c1C 65587829 HZDZPYXTAUEYJD-UHFFFAOYSA-N 375.432 4.214 30 40 GIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(-c3ccccc3C(=O)O)o1)C2 85876462 DFIUVSLQXVAGDF-UVTDQMKNSA-N 390.391 4.484 30 40 GIEB biogenic CN(C)CCCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(Cl)cc2s1 4359644 HTUWKDSZQVKGKT-UHFFFAOYSA-N 398.919 4.420 30 40 GIEB O=C(C[C@@H]1S/C(=N\c2ccccc2Cl)NC1=O)Nc1ccc(Cl)cc1 6513920 NMVHQGBRMUKTAN-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB CCc1nc(SCC(=O)N2CCc3ccccc32)c(C#N)c2c1CCCC2 6870874 CVQGHRBQOIRXAW-UHFFFAOYSA-N 377.513 4.076 30 40 GIEB N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 9335873 QEJWXQHNSGTIRP-UHFFFAOYSA-N 388.402 4.000 30 40 GIEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 9419326 QLJSSMAZLSMWSZ-UNOMPAQXSA-N 398.461 4.440 30 40 GIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)O[C@H](C)C4)o3)o2)c1 12418974 RODYTDOPCGRQEE-HZPDHXFCSA-N 393.443 4.307 30 40 GIEB COc1ccc(N/N=C(/C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1 27015737 NSOPECLWMQEDGD-UCQKPKSFSA-N 384.741 4.131 30 40 GIEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 44085664 HSXXCURZTDTWEL-UHFFFAOYSA-N 375.497 4.418 30 40 GIEB CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102728194 SZWSCHASVIKEHC-XSLAGTTESA-N 394.519 4.309 30 40 GIEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408774927 YWQMDRFQXKBVTG-BKUYFWCQSA-N 393.472 4.323 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1F 409104224 BXWTYBOZPHKZFB-FSJBWODESA-N 396.378 4.163 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 1098334 HRISHORKYFUMNL-RVDMUPIBSA-N 376.359 4.166 30 40 GIEB N#Cc1c(-c2ccccc2)nc(SCc2ccc(Br)cc2)[nH]c1=O 5238214 XUTDWKUVMPEWSM-UHFFFAOYSA-N 398.285 4.363 30 40 GIEB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCCC1 6326876 NNRPXRWXTLSZEJ-GFCCVEGCSA-N 390.896 4.213 30 40 GIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)CSc2ccc3ccccc3c2)n1 6606128 VONURMPBAJIFCU-KRWDZBQOSA-N 396.493 4.117 30 40 GIEB C=CCSc1nnc2n(-c3ccccc3C(C)C)c(=O)c3ccccc3n12 32946394 LVOJRPNFNIUENA-UHFFFAOYSA-N 376.485 4.435 30 40 GIEB N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(Br)c1 95401296 HXNUJUOBNNISDP-YCPHGPKFSA-N 391.215 4.212 30 40 GIEB C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21 226362791 YKRPMOCYWUVDHC-OAHLLOKOSA-N 388.427 4.488 30 40 GIEB Cc1ccc(CCCN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585293819 MMJFQQQKYGFJCN-NRFANRHFSA-N 388.475 4.158 30 40 GIEB N#Cc1c(NC(=S)NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 1260236 UHQXLCPUNFUXRM-UHFFFAOYSA-N 375.906 4.279 30 40 GIEB N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c3ccccc3n(Cc3ccccc3)c12 3192113 YQFOJMRKEPOFIB-UHFFFAOYSA-N 394.390 4.236 30 40 GIEB COc1ccc(/C=C/C(=O)c2c(C)nc3n(C)c4ccccc4n23)cc1OC 4114729 HKAZRWQDYLSMLU-PKNBQFBNSA-N 375.428 4.048 30 40 GIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 5289610 RGBYLGMAIQCSJR-CXUHLZMHSA-N 379.170 4.102 30 40 GIEB C=CCN/C(S)=N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 6170157 SBZGEPIPXBTMPF-WSDLNYQXSA-N 389.908 4.323 30 40 GIEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 6856107 VLXNLYFOSIENSG-SFQUDFHCSA-N 397.477 4.355 30 40 GIEB O=S(=O)(/N=C(\Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 16771398 IKNGBFBUGGMHTC-UHFFFAOYSA-N 377.680 4.256 30 40 GIEB C#CCn1cc(CN2CCN(Cc3ccccc3F)C[C@H]2C)c2ccccc21 57731775 JZWIUTTZRLTWGZ-LJQANCHMSA-N 375.491 4.120 30 40 GIEB CCCCCCCN1C(=O)C[C@H](C(=O)NC)S/C1=N\c1cccc(Cl)c1 97959672 NLWSUMLGCTTZRU-BWORXHKJSA-N 395.956 4.378 30 40 GIEB CCCCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N(C)C)cc1 102642625 ZAURZSFWBHNHMR-VZCXRCSSSA-N 382.530 4.193 30 40 GIEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=N\CCO)CC[C@H]4[C@@H]3CC[C@@H]2C1 118929210 QWEJYPZKJJWPEX-LKRAUPSSSA-N 375.553 4.394 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223016582 HKDJTKQZCLBROU-LJQANCHMSA-N 386.879 4.360 30 40 GIEB CC(C)(C)COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409349828 RNGHCJCAPCHJTG-UHFFFAOYSA-N 385.851 4.063 30 40 GIEB CC1=CC(=O)[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 4063516 DXVHSOMRFHJYQX-BSDZUQITSA-N 394.467 4.329 30 40 GIEB biogenic C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1 4358693 RTHILYFEIRNUJI-HZHRSRAPSA-N 382.431 4.200 30 40 GIEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccccc3)c2C#N)C1 6824557 WCWFHEALQKDFAE-FROQITRMSA-N 381.526 4.271 30 40 GIEB CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 11914464 YQJRKWSCUZQSIS-IBGZPJMESA-N 383.419 4.069 30 40 GIEB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 12730444 RCAQKKIUQLSFPB-UHFFFAOYSA-N 381.863 4.011 30 40 GIEB C=C(C)Cn1c(=O)n2nc(-c3cccs3)nc2c2c3c(sc21)CCCC3 13731556 TXFNFZQKHHMFML-UHFFFAOYSA-N 382.514 4.289 30 40 GIEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197638 UAKPIGTZHVSETH-VLIAUNLRSA-N 392.484 4.154 30 40 GIEB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(C#N)cc1 31433507 FHGKCNUZAHQBMV-CYBMUJFWSA-N 381.382 4.301 30 40 GIEB CCCNC1=C(C(=O)Cc2ccc(OCC)c(OCC)c2)C(=O)CC(C)(C)C1 100147521 UJKRAAMKCKGHEM-UHFFFAOYSA-N 387.520 4.238 30 40 GIEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218406047 DTDQJTKBBHTPNA-HSALFYBXSA-N 389.904 4.135 30 40 GIEB CCOC(=O)c1cccc(/N=C\c2ccccc2I)c1 408553561 ZYFKMLWHNTZCHA-WQRHYEAKSA-N 379.197 4.219 30 40 GIEB COc1cc2c(cc1OC)/C(=N/c1ccc(Br)cc1)NC(C)(C)C2 1438453 OZUMDPSJSVFOBG-UHFFFAOYSA-N 389.293 4.469 30 40 GIEB COc1cc(/C=N/c2ccc(I)cc2)cc(OC)c1OC 3181916 HMPLQGBHWDUPGQ-VCHYOVAHSA-N 397.212 4.068 30 40 GIEB CCc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 4370932 DCFJDBZVVOOEIJ-KEBDBYFISA-N 375.263 4.172 30 40 GIEB Cc1c(C#N)c(NC(=O)CCSc2ccccn2)n(Cc2ccco2)c1C 8710931 YVYVZMXMJOZCQW-UHFFFAOYSA-N 380.473 4.134 30 40 GIEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(O)cc1 15013654 RFWZHEGAMPDOCT-LDADJPATSA-N 379.416 4.214 30 40 GIEB Cc1ccc(C)c(N/C(S)=N/[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)c1 22928362 RGRSRLIVBRRLKQ-UGKGYDQZSA-N 396.604 4.378 30 40 GIEB COc1ccc2c(c1)C[C@H](C)N(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]2C 96005922 BPEGBDSBSODPTN-OEXQGVITSA-N 376.456 4.145 30 40 GIEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 97949526 ZFABDYVYKVWDGI-UHFFFAOYSA-N 394.585 4.456 30 40 GIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 102876356 DGPHAVWBCGUBGD-LFVOPCPISA-N 399.874 4.107 30 40 GIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892631 APQJQWHWLDTMPQ-UHFFFAOYSA-N 398.406 4.045 30 40 GIEB N#CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409299446 QIEVIHHSIMZEGB-UHFFFAOYSA-N 386.455 4.229 30 40 GIEB COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cn1 409383529 ZOJOUUJBDYULJA-CFRMEGHHSA-N 389.455 4.475 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1 720390 SDAOQHDIJTZAHN-UHFFFAOYSA-N 396.541 4.412 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C/C(C)(c2ccccc2)c2ccccc2)cc1 1557337 SXBCYTMAANPTPM-HAVVHWLPSA-N 378.497 4.265 30 40 GIEB O=C1C[C@H](c2cccc(Cl)c2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 4814182 DNBITBJQVUBNAE-ZUOKHONESA-N 394.837 4.486 30 40 GIEB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1/N=C/c1cccc(Cl)c1 6638640 SQGYLXCSMRORIH-UFFVCSGVSA-N 379.759 4.032 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)c(OC)c1)C2=O 20610670 VFWOMNFDAGZHFY-BKUYFWCQSA-N 397.471 4.258 30 40 GIEB biogenic COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C#N 33922013 FNOYIJXKQMMUTB-JJFYIABZSA-N 391.387 4.022 30 40 GIEB Cc1cc(C#N)ccc1C(=O)Nc1cnn(-c2ccccc2Br)c1 154940050 QKSKMMKPBWVUKN-UHFFFAOYSA-N 381.233 4.067 30 40 GIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(F)cc1 224914868 WVKLKPIZYLEGOG-UHFFFAOYSA-N 384.270 4.278 30 40 GIEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCC 408842815 BTNFHFDLDYPYOK-MJBRBLHISA-N 395.322 4.108 30 40 GIEB C=CCc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(OC)c1O 408960920 JLEJRJHKROOEJN-LDADJPATSA-N 396.468 4.030 30 40 GIEB CC1=NN(c2ccccc2)C(=N)/C1=N/NC1=C(C)[C@@H](C)[C@H](c2ccccc2)C1=O 1554504470 YKQZOXQLAPWNPB-DUVWPRTDSA-N 385.471 4.082 30 40 GIEB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC#N 4696390 OPQGOUDBVHZDIW-AQTBWJFISA-N 380.425 4.229 30 40 GIEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1c(Cl)cccc1Cl 5236885 XYXFOIXRRFENHY-ZVBGSRNCSA-N 398.315 4.138 30 40 GIEB Cc1cc(C)c(C#N)c(SCc2cc3c(cc2Br)OCO3)n1 6983487 QFTOZQLMJCNGKL-UHFFFAOYSA-N 377.263 4.354 30 40 GIEB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2=O)cc1 7983729 LNEFDNMUMOPNKJ-NRFANRHFSA-N 396.446 4.492 30 40 GIEB C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccnc1 8327876 KJLOXIPPSIRKAP-UHFFFAOYSA-N 393.516 4.254 30 40 GIEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)C1 20517471 OGQMNGYDIPOYFQ-GNKPEBMXSA-N 394.427 4.149 30 40 GIEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c2cc(OC)ccc21 28182796 JSEPUGKHDQIZFO-FBHDLOMBSA-N 392.455 4.053 30 40 GIEB Cc1c(C#N)c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2c1CCC2 32724165 VHDLBKWJSYCDOA-QGZVFWFLSA-N 383.542 4.268 30 40 GIEB CCOC(=O)COc1ccc(/C=N\Nc2cccc(C(F)(F)F)c2)cc1OC 36623619 ZUSCAWAXTIEFON-KSEXSDGBSA-N 396.365 4.102 30 40 GIEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 38655004 JNOQZRYXOZXRGX-UHFFFAOYSA-N 392.409 4.240 30 40 GIEB CCOc1ccc(C(=O)CC/C(O)=N/c2nc(-c3ccccc3OC)n[nH]2)cc1 52778679 ARDBQVCFPGQIOY-UHFFFAOYSA-N 394.431 4.130 30 40 GIEB O=C(Cn1cc(/C=N/c2ccc3ccccc3c2)c2ccccc21)N1CCOCC1 59104488 XJJBYICYAUZBDV-WGOQTCKBSA-N 397.478 4.404 30 40 GIEB CC[C@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 97950217 KJKRNEOSUNTBHY-SECBINFHSA-N 396.303 4.497 30 40 GIEB Brc1cc(/C=N/Nc2ccccc2)oc1I 408952176 KWPBVTQFXIROAC-VGOFMYFVSA-N 391.006 4.093 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(C(=O)OC)=C1C 409055116 JYCWBHKSVOSKSL-STZFKDTASA-N 390.483 4.261 30 40 GIEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c1 575613150 PFABEICLMOBEEY-CQSZACIVSA-N 391.258 4.335 30 40 GIEB CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2736865 SUHJYZOQCNBSGH-UHFFFAOYSA-N 381.194 4.296 30 40 GIEB Cc1c(/N=C/c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C 3187063 JPZKAPTWSVPOHR-VCHYOVAHSA-N 376.279 4.059 30 40 GIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2C)CC1=O 4385955 GDFAIHHFBCMZHL-IBGZPJMESA-N 389.499 4.234 30 40 GIEB Cc1sc2ncnc(N/N=C/c3cc(Br)ccc3O)c2c1C 5361220 FHUNGIQKRJUZOF-KPSZGOFPSA-N 377.267 4.222 30 40 GIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1cccc(Cl)c1)C(C#N)C#N 5482662 DQYAHWDMAZWMIY-UXHICEINSA-N 376.847 4.121 30 40 GIEB COc1cc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 6048008 MLJSUWLTNMBJNA-FNORWQNLSA-N 377.780 4.170 30 40 GIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccc1O 15015634 HQWIASVEBSKYDU-ZROIWOOFSA-N 375.247 4.046 30 40 GIEB O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)Nc1ccccc1 15973922 YQKPVAIDOIAKQS-UHFFFAOYSA-O 388.413 4.313 30 40 GIEB N#CCc1ccc(NC(=O)CSCc2ccccc2Br)cc1 20238217 QCKUYXOMSUMFGA-UHFFFAOYSA-N 375.291 4.387 30 40 GIEB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 28234074 NACUKGCGQWGTOA-SNVBAGLBSA-N 396.438 4.297 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 37394263 RVFWHCHTJGABLD-MBDQKHHZSA-N 392.480 4.201 30 40 GIEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)C[n+]1ccccc1 253617128 JCXKLDMPWBYJSG-WUXPCJCZSA-N 394.579 4.483 30 40 GIEB CCOC(=O)c1sc(NC(=O)c2ccc(OCC)c(Cl)c2)c(C#N)c1C 4454706 JBJMRABCHNTHNX-UHFFFAOYSA-N 392.864 4.409 30 40 GIEB Cc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c(C#N)c(C)c1C 5089175 ZGAMFGMNWWHXAP-UHFFFAOYSA-N 377.416 4.211 30 40 GIEB Cc1cc(C)nc(N/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)n1 5158295 SJMGXOCQNPAXFH-AWQFTUOYSA-N 375.263 4.340 30 40 GIEB CC(=O)c1ccc(N/C=C\C(=O)c2ccc(I)cc2)cc1 5260840 JDXAJSVZIUMMJJ-KHPPLWFESA-N 391.208 4.302 30 40 GIEB CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C 5652447 CCMVXLPAJNUAOY-XMHGGMMESA-N 390.465 4.210 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 12321433 GLAZILUIISIFQO-UHFFFAOYSA-N 399.834 4.281 30 40 GIEB N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 12548562 NPVWIXDFERANGC-UHFFFAOYSA-N 392.440 4.003 30 40 GIEB C=CCN(CC=C)C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 12604560 GREOOZSGDAKBDR-UHFFFAOYSA-N 393.512 4.327 30 40 GIEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)o1 12860903 QTXMKLANNLPPNC-JMIUGGIZSA-N 390.347 4.152 30 40 GIEB biogenic N#Cc1cccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)c1 13285076 JTFFQGZOZGTMJE-UHFFFAOYSA-N 386.242 4.065 30 40 GIEB O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O)Nc1ccccc1Cl 17085391 DCOINECAUCQMFA-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB Cc1nn(-c2ccccc2)c(Cn2c(C(F)(F)F)nc3ccccc32)c1C#N 29301651 QGRVDAVLBRIDLZ-UHFFFAOYSA-N 381.361 4.469 30 40 GIEB C=CCCOCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 89893951 QGPHEADLWUSLCK-UHFFFAOYSA-N 393.409 4.091 30 40 GIEB CCCCCCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OCC)C1=O 100925267 MFXQINILXNOJCK-FPOVZHCZSA-N 387.520 4.459 30 40 GIEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1 104160190 NLBCSXHLFVPZAE-QRVIBDJDSA-N 375.380 4.394 30 40 GIEB COc1cccc(/C=N/O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1OC 124387415 WTGIDQZWQTZYFT-HYLGSWLWSA-N 390.867 4.352 30 40 GIEB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 261499976 ATLJNLYIJOCWJE-KGBCUYMLSA-N 384.516 4.258 30 40 GIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Sc2ccc(Cl)cc2)o1 409405551 HTKYEABAHONVJZ-GNTOHDJUSA-N 398.871 4.225 30 40 GIEB CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2372448 MSYNWCDKASEQCH-KRWDZBQOSA-N 380.492 4.207 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(F)cc1 2437405 YCKCDSZSJUNAMO-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(/C=C/C(=O)C(F)(F)F)CC1 3344259 VAJCEPWKRWOJLN-JXMROGBWSA-N 394.315 4.001 30 40 GIEB COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC#N)cc1 4126309 MGWCLZUOOUGNTP-UHFFFAOYSA-N 385.880 4.157 30 40 GIEB C=CCOc1ccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 6911084 KHHVDJYLZNUDON-UHFFFAOYSA-N 378.394 4.341 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccoc1C 6912261 IHXYOUDNUSPNOH-UHFFFAOYSA-N 382.489 4.326 30 40 GIEB COc1ccc(-n2c(SC[C@H](C)C#N)nnc2-c2ccccc2)cc1OC 7035295 PUYPBSQNONZNDC-CQSZACIVSA-N 380.473 4.203 30 40 GIEB Cc1cc(C)nc(N/C(=N\C(=O)c2ccc(F)cc2)Nc2ccc(F)cc2)n1 9301069 FEEWANGSFGRLBQ-UHFFFAOYSA-N 381.386 4.092 30 40 GIEB N#C[C@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@H]21 13807268 WOZFVLCMTANHQB-RBBKRZOGSA-N 387.443 4.238 30 40 GIEB Cc1ccnn1CCC(=O)NC1(C#Cc2cncc3ccccc23)CCCCC1 19238495 AVBRPGQEKGOHNZ-UHFFFAOYSA-N 386.499 4.001 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 24830556 QYMQRWBXQGPKDW-NRFANRHFSA-N 398.462 4.170 30 40 GIEB CCOc1cc(/C=C2/S/C(=N\C)N(/N=C/c3ccc(C)cc3)C2=O)ccc1O 35167485 NGHUQEMXIXJPDD-HAIYDCQQSA-N 395.484 4.036 30 40 GIEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1csc(-c2ccccc2)n1 60043861 SLYABUPFFSJIFU-MRXNPFEDSA-N 385.452 4.096 30 40 GIEB C[C@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 97950213 ZTCJLCVMODVXFV-ZCFIWIBFSA-N 382.276 4.107 30 40 GIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OCC)cc1 224587116 KUCRGJUFEUOPTQ-UHFFFAOYSA-N 385.407 4.485 30 40 GIEB C=CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12 225929976 UVVXXFMWBFWJLO-UHFFFAOYSA-N 392.480 4.367 30 40 GIEB CCOc1ccccc1C[C@H]1S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 409149728 ORUDTFSRONXIOE-XKXPVHLMSA-N 384.501 4.288 30 40 GIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)o1 409315961 LCMBELAISMIYNB-UHFFFAOYSA-N 388.265 4.285 30 40 GIEB CCC(=O)NC(Nc1sc2c(c1C#N)CCCC2)(C(F)(F)F)C(F)(F)F 978330 BRLWJLMBDUMUIC-UHFFFAOYSA-N 399.360 4.258 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2463608 LCKPPQBKXZFYIO-RDTXWAMCSA-N 384.501 4.188 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2sc(C)cc2c1=O 5017288 PYIXAZJYUHMZSS-UHFFFAOYSA-N 399.541 4.246 30 40 GIEB C=CC[C@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccco1 5416118 GFXXJTHGSNYVOU-GHTZIAJQSA-N 377.469 4.293 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Cl)cc3)c2C#N)C1 5782830 MMBFOJRWINBMRK-LLVKDONJSA-N 388.876 4.193 30 40 GIEB O=C(C[C@H]1S/C(=N\c2ccccc2Cl)NC1=O)Nc1ccc(Cl)cc1 6513921 NMVHQGBRMUKTAN-CQSZACIVSA-N 394.283 4.241 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1 8991288 MNABFAAQOJFUDX-HRAATJIYSA-N 387.439 4.345 30 40 GIEB C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(OC)c1 12578530 FFQSOBWQYBJDAG-IBGZPJMESA-N 391.471 4.043 30 40 GIEB CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 13739354 MXUHOMGAHMOVDW-UHFFFAOYSA-N 377.579 4.250 30 40 GIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)[nH]c3ccccc13)=C2 62001550 OWHQRQQBFMXUET-UHFFFAOYSA-N 376.456 4.205 30 40 GIEB biogenic CCc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102881981 VBBQDNCIVZHOIP-LFVOPCPISA-N 392.411 4.073 30 40 GIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3sc(C#N)c(N)c32)cc1 5231385 QFHNGRAMKPPDOQ-MRXNPFEDSA-N 379.485 4.411 30 40 GIEB O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccccc1 6446046 HHQFLILYNZGKIG-PXLXIMEGSA-N 375.453 4.226 30 40 GIEB CCOc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 8990629 HRGIEWFDJLXCFI-JAIQZWGSSA-N 382.412 4.032 30 40 GIEB biogenic O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 9316564 JBICXHVGLXVNNF-RNODOKPDSA-N 392.846 4.053 30 40 GIEB CN1/C(=C\C(=O)CSc2nc(N)c3ccsc3n2)C(C)(C)c2ccccc21 32841100 RILJYSWKLPUJGY-YBEGLDIGSA-N 396.541 4.246 30 40 GIEB CN1CCC(=C2/CN(C)C/C(=C\c3ccccc3)C2=O)/C(=C/c2ccccc2)C1 103769032 LANBNIGTEQOHSB-FYUOAMFCSA-N 384.523 4.300 30 40 GIEB CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(F)cc1 408965611 WHDTYEUBTRRLCV-UDIJICLVSA-N 387.392 4.063 30 40 GIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)c1ccco1 5160229 GIXUFVGTWGDXSR-ZDLGFXPLSA-N 377.308 4.023 30 40 GIEB N#Cc1ccccc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 11485027 QOJXPZQFMZHMEL-UHFFFAOYSA-N 379.489 4.074 30 40 GIEB CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3C#N)s2)c1 12537990 WVSUHTVBDOMOGL-UHFFFAOYSA-N 381.486 4.404 30 40 GIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2)C2=C(C[C@@H](C)CC2=O)N1 20059021 RNZZVEPQMLHITI-IVZQSRNASA-N 387.483 4.243 30 40 GIEB N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1 20503495 GORPHNDCXLMGDP-PKOBYXMFSA-N 387.508 4.068 30 40 GIEB biogenic,in-vitro N#Cc1ccc(OC[C@@H](O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1 32899137 TXROWRHYMQQJII-LJQANCHMSA-N 391.496 4.289 30 40 GIEB Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 44858860 QKKQLUYNSRHEHL-JOCHJYFZSA-N 398.466 4.466 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc3ncccc3c2)S/C1=N\c1nccs1 54361082 DCPAUFTXXNQDJL-AAMDCLCLSA-N 378.482 4.481 30 40 GIEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)c(C)c1 59248640 SCOVLXODMDLQMZ-DZBQEORWSA-N 396.468 4.047 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)N1CCCC1 215680607 YAHFFWAMRSFPNV-UHFFFAOYSA-N 391.418 4.354 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(C)c1 408847923 VWWDHMQWAIMMJY-FQEVSTJZSA-N 389.451 4.135 30 40 GIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2cccnc2)CC(=O)O3)C1=O 1081801491 FEIHRQSTXZRGQD-PBGVMVHZSA-N 399.402 4.147 30 40 GIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 730655 VRMBZMCSFOFYGU-UHFFFAOYSA-N 394.500 4.082 30 40 GIEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 947374 YUJLDZBYCHIBEQ-PPGNKHEKSA-N 382.485 4.414 30 40 GIEB CCOc1cc(C#N)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 1076830 SQZYOCPFEQSRGK-UHFFFAOYSA-N 389.795 4.170 30 40 GIEB COc1ccccc1-c1cnnc(N/N=C/c2ccc(OC)c3ccccc23)n1 4660099 HGYOWRLRMYEWQK-YDZHTSKRSA-N 385.427 4.155 30 40 GIEB C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12 12603115 OXTWGAOGCISQRG-MPIVDJSNSA-N 377.429 4.019 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3ccc(OC)cc3)c2)c1 12932943 YREVGIKANHZAOI-UHFFFAOYSA-N 399.446 4.063 30 40 GIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 25539302 MNYWLRDZNAUTGK-PXPSOEEZSA-N 391.206 4.482 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2Cl)cc1OC 33663778 ZMZDXIRAVIXDRY-MTJSOVHGSA-N 376.840 4.127 30 40 GIEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1CC=C 408808953 GBBZJONVNJPDDK-UVTDQMKNSA-N 394.290 4.409 30 40 GIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(O)cc1 408931890 RRTMDQQWZITVRA-LFVJCYFKSA-N 375.472 4.387 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(C)c2)cc1 5324078 PDNHZLVOIXRKLL-VGSWGCGISA-N 386.455 4.011 30 40 GIEB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C#N)cc3)c2C)cc1 6637763 RRBGLJBIUYBOQG-UHFFFAOYSA-N 388.423 4.014 30 40 GIEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)n1 7781413 WHNMVRXSIBWSRN-CQSZACIVSA-N 384.486 4.087 30 40 GIEB CN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1Br 47862952 QJFPQWIGEPTBFZ-UHFFFAOYSA-N 387.277 4.138 30 40 GIEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 100263738 FULNHLGSXPDGAA-CYNURGJPSA-N 391.855 4.069 30 40 GIEB CCCc1c/c(=N\c2ccc(NC(C)=O)cc2)n2c([nH]c3ccccc32)c1C#N 101498240 ZUHCMVKOJJEDDC-XTCLZLMSSA-N 383.455 4.436 30 40 GIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 101661343 BVTOFXVSGVAVKX-FQEVSTJZSA-N 393.915 4.258 30 40 GIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OCC)cc1 224582696 RYCBPIKEQOKKCG-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB COC(=O)c1ccc(C)c(/N=C/c2ccccc2I)c1 408549883 AUPQWGHBTBZHAD-VCHYOVAHSA-N 379.197 4.137 30 40 GIEB CCc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)cc1 408931738 POPWTBKKZJGQSQ-VOSKWGSBSA-N 380.469 4.489 30 40 GIEB COC(=O)c1ccc(/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 409114984 GDQRSZCYSQXVMQ-UUYOSTAYSA-N 394.412 4.073 30 40 GIEB C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCC 409340302 UNDSKTGBPCFWGB-VBKFSLOCSA-N 377.531 4.434 30 40 GIEB C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 1225118 BWHNDROEEVZXLJ-MRXNPFEDSA-N 393.516 4.262 30 40 GIEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 2487288 FCOCIHLGGZYFBV-KDOFPFPSSA-N 398.528 4.362 30 40 GIEB C=CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)ccc1Cl 5027429 FKXIZHQBLBZVCK-DHDCSXOGSA-N 388.832 4.081 30 40 GIEB CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 5156496 LNTJGZNWPXXJMP-NKWDDMGQSA-N 399.491 4.442 30 40 GIEB N#Cc1cccc(Oc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)c1C#N 6591938 VUXRLBCOOWKUQD-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB C=CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1cccc(OC)c1 9614992 HFFIMMLQBVQSNE-UHFFFAOYSA-N 395.484 4.123 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 12970182 SAEFVKCRTNJESL-HXUWFJFHSA-N 389.407 4.072 30 40 GIEB N#Cc1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 58160138 LFBSGHBMOUEXGT-HNNXBMFYSA-N 393.378 4.040 30 40 GIEB C#CCOc1ccccc1CN(C)C(=O)N[C@@H]1CCSc2ccc(C)cc21 72270269 RTRLTEMOCDNKLU-LJQANCHMSA-N 380.513 4.386 30 40 GIEB N#CCCSc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 95953550 KMTJCJHTZPOEFE-UHFFFAOYSA-N 379.485 4.067 30 40 GIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1C 193405549 FPQQTRMGGOTBQM-SJLPKXTDSA-N 384.549 4.227 30 40 GIEB Cc1ccccc1OCc1nc(SCc2ccc(F)cc2)nc(N)c1C#N 223683370 VWLHWKWIUVQGMI-UHFFFAOYSA-N 380.448 4.249 30 40 GIEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(Br)cc1 224726510 BJUAIERAVCYIGP-UHFFFAOYSA-N 396.306 4.229 30 40 GIEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc(OC)c1OC 225372424 QQEWMKIXWAOTRK-SOFGYWHQSA-N 398.455 4.406 30 40 GIEB CC(C)OC(=O)COc1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1 409187810 UNYCPJYQMZITFK-UFFVCSGVSA-N 375.808 4.119 30 40 GIEB O=C1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC/C1=C/c1ccc([N+](=O)[O-])cc1 1662225 OMQUVUPABDCOHI-MCOFMCJXSA-N 392.367 4.292 30 40 GIEB CSCc1c(C(=O)OCC(=O)Nc2sccc2C#N)oc2ccccc12 3452155 JDLHVQCRVNPCCX-UHFFFAOYSA-N 386.454 4.024 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 4919129 OZYVBXCNNLPACD-IFMALSPDSA-N 380.440 4.023 30 40 GIEB CN(C(=O)COC(=O)CSc1ccc2ccccc2c1)C1(C#N)CCCCC1 5780416 IDAPFHMMULMXFC-UHFFFAOYSA-N 396.512 4.160 30 40 GIEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 6906922 CETXZSUKXHKTMJ-LDADJPATSA-N 384.432 4.291 30 40 GIEB Cc1ccccc1/C=C/c1n[nH]c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1 8752674 LMSAHJXWMOZNPT-AUECHBEKSA-N 389.484 4.275 30 40 GIEB CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1c(F)cccc1Cl 24679244 BHOURDJFAGYFKS-CQSZACIVSA-N 394.837 4.148 30 40 GIEB Cc1ccc([C@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 32597782 DFYLVMZMPXGPII-AWEZNQCLSA-N 391.473 4.316 30 40 GIEB C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Cl)c3)oc12 226237092 KSOHYIKPJUQCFM-UHFFFAOYSA-N 388.763 4.408 30 40 GIEB COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242614841 PJVUXKTVOIOLOO-KZNAEPCWSA-N 396.295 4.089 30 40 GIEB Cc1ccc(S(=O)(=O)OCCCC(F)(F)C(F)(F)Br)cc1 1083812538 PSCGUJXWGKSVPX-UHFFFAOYSA-N 393.196 4.104 30 40 GIEB Fc1ccccc1COc1cccc(/C=N/NC(=S)NCc2ccccc2)c1 4511748 ZQGSJVPGYSWEIJ-MFKUBSTISA-N 393.487 4.403 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(C)cc1 6477847 RBJNDHHRNVXDMD-WMZOPIPTSA-N 384.549 4.227 30 40 GIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 6813944 SXISQEIHNVJFLS-HKUYNNGSSA-N 397.858 4.097 30 40 GIEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 7781082 WNTWOHBROPKJPU-UHFFFAOYSA-N 383.835 4.227 30 40 GIEB C=CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c2nn(-c3ccccc3)c(=O)c-2c1 17010765 MATQVJSJFXEVPN-UHFFFAOYSA-N 398.466 4.194 30 40 GIEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(C)=O)cc1 59099202 UZGYJAFXRSHKPO-UHFFFAOYSA-N 377.473 4.087 30 40 GIEB N#Cc1nc(C23CC4CC(CC(C4)C2)C3)oc1N1CCN(c2ccccc2)CC1 72238619 GCASWQWZTPOTJO-UHFFFAOYSA-N 388.515 4.341 30 40 GIEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(Br)cc1 224730552 TXVVUSVXDTXQGG-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 408912694 ROWQLQUSRBFUAM-JMIUGGIZSA-N 376.800 4.053 30 40 GIEB COC(=O)c1ccccc1/N=C\c1cc(Br)c(Br)o1 408953471 PUMSJBVYIXPQJK-APSNUPSMSA-N 387.027 4.342 30 40 GIEB CCOc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1O 1573818 FDNSQNRKFABPGL-BUVRLJJBSA-N 385.423 4.050 30 40 GIEB C[C@H](CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 2310442 PKMQFNMGHMGZKM-MRVPVSSYSA-N 381.238 4.375 30 40 GIEB CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2ncnn21 5245215 YNXISBGXFBSCMX-AOMKIAJQSA-N 386.455 4.093 30 40 GIEB N#Cc1ccccc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 7103441 RPCXEMLRSLNCOT-UHFFFAOYSA-N 375.501 4.422 30 40 GIEB C=CCOc1ccccc1CN(C(=O)c1ccco1)c1ccc2c(c1)OCCO2 7988403 LRKPXVLCYMHELD-UHFFFAOYSA-N 391.423 4.463 30 40 GIEB COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8277517 HXUJBGYJRIOQNQ-MHWRWJLKSA-N 386.860 4.327 30 40 GIEB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 8590927 YRSTXJCTVLSXPU-UHFFFAOYSA-N 385.402 4.246 30 40 GIEB COc1cccc(NC(=O)CN(C)Cc2ccc(-c3ccccc3C#N)cc2)c1 14855782 JOCDTWNVNYVBHV-UHFFFAOYSA-N 385.467 4.304 30 40 GIEB Cc1cccc(C)c1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 16995160 XTWXDDOUUNEFDF-UHFFFAOYSA-O 380.899 4.298 30 40 GIEB C=CCOc1ccc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1 17172988 JJIYSDZWQJOMKM-UHFFFAOYSA-N 394.456 4.102 30 40 GIEB Cc1c(/N=C/c2cc(Br)c(N3CCCC3)o2)cccc1C(=O)O 59678348 YNRVRFWEHUHLBL-VXLYETTFSA-N 377.238 4.400 30 40 GIEB COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1OC 100414682 YKTRXNDOVJDMTN-RBBKRZOGSA-N 387.435 4.110 30 40 GIEB Cc1nn(-c2ccccc2)c(C)c1/C=N\n1c(S)nnc1C1CCCCC1 1149140 MCUDEDPPAXZLIE-BKUYFWCQSA-N 380.521 4.299 30 40 GIEB COc1ccc(C(=O)Nc2ccc3c(C#N)c4nc5ccccc5nc4n3c2)cc1 2338354 RYIWIUXZFHYETP-UHFFFAOYSA-N 393.406 4.168 30 40 GIEB Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(CCC#N)c1ccccc1 4501112 AIWGJNUEZAWVHH-KRWDZBQOSA-N 391.500 4.003 30 40 GIEB CCOCCC/N=C1/Sc2nc3c(C)c(C)ccc3cc2CN1CCOC 4858995 UYKAKCLLFKGQOA-QURGRASLSA-N 387.549 4.188 30 40 GIEB N#Cc1ccc(-c2ccc(O[C@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cc1 5461444 DUARXGWDYMOTAH-DEOSSOPVSA-N 398.462 4.204 30 40 GIEB C/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(OCCCC(=O)O)cc1 5693749 JYHWZLVMEAZLMZ-XQNSMLJCSA-N 399.516 4.258 30 40 GIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 5787893 UIZJIBHFBFWRQL-MRXNPFEDSA-N 392.789 4.452 30 40 GIEB C=CCN1C(=O)[C@@H](CC(=O)c2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 6584093 JLESWLOOTYWNIB-HLNJFSBGSA-N 386.423 4.355 30 40 GIEB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@@H](C(=O)C1=CCC=C=C1)c1ccccc1 104285790 LWLQRDQENYMWAO-XXBNENTESA-N 391.854 4.182 30 40 GIEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218473613 YLYWCXQADYNOIR-BZSNNMDCSA-N 396.295 4.089 30 40 GIEB O=C(O)c1cc(/N=C\c2cccn2-c2cccc(Br)c2)ccc1O 409020792 TYKFZCSWYJQYAP-JAIQZWGSSA-N 385.217 4.394 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 4472993 DNJIFMSWEIFATI-XAIYEJPOSA-N 391.855 4.069 30 40 GIEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5900365 DMVSIKDHZFKXBE-NDENLUEZSA-N 397.427 4.161 30 40 GIEB biogenic C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1C1CCCCC1 6305865 RIMXVEZHVZQTFY-UHFFFAOYSA-N 398.532 4.445 30 40 GIEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 19369402 BADDKPRGLWEUCH-UBJJPWDWSA-N 375.516 4.022 30 40 GIEB N#CCCN1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 19891924 BCEZYKQVRQNKSZ-UHFFFAOYSA-N 394.327 4.460 30 40 GIEB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(C#N)cc1 31433510 FHGKCNUZAHQBMV-ZDUSSCGKSA-N 381.382 4.301 30 40 GIEB Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccc([N+](=O)[O-])cc3)nc12 102816822 CFTCDKNEDQKUAH-OEAKJJBVSA-N 399.410 4.405 30 40 GIEB Oc1nc2cc(Cl)ccc2nc1/C(=N\Nc1ccccc1)[C@@H](O)c1ccco1 104296466 WILMRFYKJJAKSX-HLNOYYKJSA-N 394.818 4.132 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cc(C)n(C)c2C)C1=O 409123185 FLQUHIKJVFBRIC-PDGQHHTCSA-N 396.512 4.494 30 40 GIEB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccco2)nn1-c1cccc(C#N)c1 502512565 ARDXWUCFOHZDNL-QFIPXVFZSA-N 382.423 4.165 30 40 GIEB Cc1sc2nc(C)n(/N=C/c3cccc(Br)c3)c(=O)c2c1C 651059 OBNXNBGSTBPMEW-QGMBQPNBSA-N 376.279 4.028 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 2351985 IJPWHHSNVWXTKV-FCVXWEMSSA-N 381.501 4.329 30 40 GIEB CC(C)c1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)cc1 4199527 RVDLJVUIQNVWAX-YOASITJSSA-N 394.456 4.312 30 40 GIEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 4663567 AWKXCKJLIMFNCA-UHFFFAOYSA-N 396.453 4.321 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccc(Cl)cc2c1=O 5449906 LKGJRLKETBABKB-UHFFFAOYSA-N 399.903 4.275 30 40 GIEB C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1C1CCCCC1 6595727 UPCJZQLMERZKBM-UHFFFAOYSA-N 387.534 4.102 30 40 GIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccncc1)n1c(nc3ccccc31)N2 7496041 PFATZXYKDNSTTQ-NYHFZMIOSA-N 382.423 4.440 30 40 GIEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 12347599 FXDUFQLVMHYMAL-KRWDZBQOSA-N 380.492 4.162 30 40 GIEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 16138511 OWZGBRLDPGVYMQ-UHFFFAOYSA-N 382.445 4.244 30 40 GIEB C=CCn1c(SCc2ccccc2F)nnc1[C@H]1COc2ccccc2O1 21088346 XSHNURKBNZPKCV-GOSISDBHSA-N 383.448 4.408 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc(Cl)c1 22608190 GCMOTIIOQZCRPI-RMLUDKJBSA-N 382.773 4.218 30 40 GIEB C=CCn1c(SCc2nnc(C)o2)nc2cc(-c3ccccc3)sc2c1=O 24268041 HSHSVPWHIDRHCG-UHFFFAOYSA-N 396.497 4.295 30 40 GIEB N#Cc1c(COc2ccccc2C(=O)NCc2ccccc2)cn2ccccc12 36398288 AWUKNTVTBIKWBZ-UHFFFAOYSA-N 381.435 4.320 30 40 GIEB CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1 46088329 DXGGTAMSYRWNJJ-HXUWFJFHSA-N 383.517 4.231 30 40 GIEB CCOC(=O)CC1=NN(Cc2ccccc2)/C(=N/c2ccccc2OC)SC1 100218598 XVGAFSFCYPYVMA-DQRAZIAOSA-N 397.500 4.241 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 102865860 HXSBSDKWKCMLNF-WOOAAIBNSA-N 392.386 4.057 30 40 GIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3O)S2)cc1 408532641 OKIKCKYBEIIEJC-DHDCSXOGSA-N 389.274 4.355 30 40 GIEB Brc1cc(/C=N\C2CCCCC2)oc1I 408855976 GVOSIWSTYAVOFL-AUWJEWJLSA-N 382.039 4.398 30 40 GIEB COc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)c(C)c1 408933684 KAJCNAYZFUFBEK-ZSMCLDEPSA-N 396.468 4.244 30 40 GIEB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 409154124 JTPOMBFYRJLADS-MBOZVWFJSA-N 377.400 4.332 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1 4285980 JITBGNKHPUILSI-UHFFFAOYSA-N 386.427 4.140 30 40 GIEB COc1ccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c(OC)c1 4944941 VWDGSHLQMUYZJT-MRXNPFEDSA-N 395.430 4.371 30 40 GIEB COc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1OCc1ccccc1 5417493 SBNLBSZBDKMVJC-OEAKJJBVSA-N 376.412 4.418 30 40 GIEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(O)c(C(=O)O)c2)cc1 5636569 FMRWUUMYBBXKBD-FSJBWODESA-N 391.379 4.118 30 40 GIEB CCNC(=S)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 6843279 HCUUKMAGMLDLLS-UFFVCSGVSA-N 382.316 4.390 30 40 GIEB COc1ccc(NC(=O)CCSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 8991343 FGOOJBAGJCSMPX-UHFFFAOYSA-N 395.406 4.410 30 40 GIEB CC1(C)Cc2ccccc2C2=CC(C(F)F)=C/C(=C3/C=C([N+](=O)[O-])C=CC3=O)N21 25179586 LOGNZNSHWWJJBF-HTXNQAPBSA-N 396.393 4.423 30 40 GIEB C=CCN(CC(F)(F)F)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 58434742 NTZRYLFWBZTLGM-UHFFFAOYSA-N 386.377 4.125 30 40 GIEB C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cccc(C#N)c1 72304541 PFMUJRUQMJBOQL-HNNXBMFYSA-N 399.479 4.358 30 40 GIEB C#CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC#C)ccc1n2CCCC 73634148 ZSGIYYJWLHSUIE-UHFFFAOYSA-N 387.435 4.175 30 40 GIEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4OCC(N)=O)ccc3o2)cc1 100384157 DTCZIQYONOHXGH-DHRITJCHSA-N 385.423 4.418 30 40 GIEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(Br)ccc21 100874314 STLBQDNHOAIRGN-UZYVYHOESA-N 398.285 4.264 30 40 GIEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)c(Cl)c1 101545452 XSTJNSXAYLZISU-CYNURGJPSA-N 391.855 4.069 30 40 GIEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21 223753606 CFETUMJTTHHUKY-XLNRJJMWSA-N 375.856 4.066 30 40 GIEB CCN(CC)c1ccc(C=NN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 254765330 JVCFIVDTLSBRCS-UHFFFAOYSA-N 397.478 4.415 30 40 GIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)S2)cc1 408757915 DSICPIQFWYCJER-UYRXBGFRSA-N 393.468 4.052 30 40 GIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)S2)cc1 408761640 AGYDMDHSVPUEBE-UNOMPAQXSA-N 396.468 4.075 30 40 GIEB COc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 408810096 OXOLNFIBBUADAE-FMCGGJTJSA-N 398.846 4.387 30 40 GIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3C)OCO4)S2)cc1 408950964 HAUMEWAIZVLFQN-VCHYOVAHSA-N 382.441 4.014 30 40 GIEB COc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409006409 JDBIBCXVEWGLFP-IWIPYMOSSA-N 389.455 4.467 30 40 GIEB Cc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1CC(F)(F)F 3182518 PNTIDBLAZDEJNC-BHGWPJFGSA-N 390.409 4.216 30 40 GIEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1 4280360 SHMRNXISNATJKI-UHFFFAOYSA-N 389.864 4.040 30 40 GIEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(OC)cc2)C1=O 4696116 DYQLQTMMVDHXKV-ATVHPVEESA-N 399.443 4.378 30 40 GIEB Cc1csc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)n1 5938249 MAPFOPANWXNOED-KNQAVFIVSA-N 389.528 4.322 30 40 GIEB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C#N)cc2)cc1 8448731 OHNVKTBLFNUXDJ-UHFFFAOYSA-N 378.453 4.241 30 40 GIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccccc2[N+](=O)[O-])cc1 18059756 HOMSXZQIKFFISV-KGENOOAVSA-N 395.440 4.455 30 40 GIEB Cc1cc(N2CCN(Cc3ccc(F)cc3)CC2)n2c(nc3ccccc32)c1C#N 19808692 LAXOTCVXBLGFAJ-UHFFFAOYSA-N 399.473 4.129 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1OC)C2=O 20610485 AJTMBZLVYDYVLN-MOSHPQCFSA-N 397.471 4.258 30 40 GIEB biogenic C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1F 33728286 MMBKUQTVSGOWCM-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 40266720 OMQVGGPEDAVJDG-XOBRGWDASA-N 388.427 4.058 30 40 GIEB C#Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 72277982 HBEFDUFOFYDXCU-IBGZPJMESA-N 385.870 4.247 30 40 GIEB C=CCc1ccccc1OC[C@H](S)CN1CCN(c2ccc(F)cc2)CC1 95532725 AZYGVVDETYHQBH-OAQYLSRUSA-N 386.536 4.054 30 40 GIEB COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1 103179007 DWKGJHCDYCNTFH-JOCHJYFZSA-N 384.435 4.343 30 40 GIEB CCCCCCCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860889 AMZONPPVIRYRQK-UHFFFAOYSA-N 375.918 4.457 30 40 GIEB COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1C1=COC(C)(C)C1=O 689650 LSNZUXYRWFYNAA-UHFFFAOYSA-N 392.407 4.196 30 40 GIEB biogenic,in-vitro Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1C 4700893 BVLZIFKPPGMJFU-HLGQQVFSSA-N 385.464 4.033 30 40 GIEB CCOC(=O)CC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N 4734510 KLWSXMCBVVLJCL-UHFFFAOYSA-N 398.528 4.035 30 40 GIEB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)o2)c1 4926635 HYWXUCGWSCTZGN-UHFFFAOYSA-N 384.848 4.301 30 40 GIEB CCCc1nc([C@H](C#N)c2ccc(F)cc2)c2nnn(Cc3ccccc3)c2n1 4985480 YSKTXTLYWBXVOP-GOSISDBHSA-N 386.434 4.017 30 40 GIEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3(C#N)CCCC3)c2n1 5172149 PZLVIXIKNSROPA-UHFFFAOYSA-N 378.259 4.181 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(OC)cc1 5855420 XQSCBEMCMQQFKB-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB CC(C)(C)c1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O 6675182 LQZPMIAXRISUGT-HYARGMPZSA-N 388.533 4.300 30 40 GIEB CC(C)(C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 6906177 WUODUMAKUQNXIW-QGZVFWFLSA-N 397.500 4.194 30 40 GIEB N#CCN(C(=O)COc1ccc(Cl)cc1Br)c1ccccc1 7031728 HQIPMRVZDJQBTG-UHFFFAOYSA-N 379.641 4.038 30 40 GIEB O=C1/C(=C\c2ccc3c(c2)OCCO3)CC/C1=C\c1ccc2c(c1)OCCO2 8514812 YYGSOXVSMUGKRO-MJZABRMRSA-N 376.408 4.059 30 40 GIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(CCC)cc3)ccc2c1=O 11870183 UMPNDVWUISUFOI-UHFFFAOYSA-N 379.485 4.450 30 40 GIEB C=CCn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c1=O 12324713 NJYQWWNHVBURTB-UHFFFAOYSA-N 387.439 4.242 30 40 GIEB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12554966 BMNXRKFDPYCAJN-ZDUSSCGKSA-N 396.516 4.286 30 40 GIEB CC1=CC(=O)C=C(C)C1=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1 26787078 TYUMOPNOAWDRIK-ZNTNEXAZSA-N 392.480 4.047 30 40 GIEB CN(CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(C#N)cn1 62283157 AIAXILDKTPNTOV-UHFFFAOYSA-N 384.867 4.003 30 40 GIEB N#Cc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 107101759 IFZUTLYUOBCXTQ-UHFFFAOYSA-N 391.740 4.063 30 40 GIEB N#C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225644828 GSLJDNRDKBGXJH-ARFHVFGLSA-N 396.693 4.182 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl 409088164 DZZOVSNCPKRDNH-ATTDUZETSA-N 395.933 4.285 30 40 GIEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 4632293 LWKRGUJUXVKIOE-IBGZPJMESA-N 399.512 4.450 30 40 GIEB CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CO1 5247706 SWJLTKXURNHVHE-RSFMTLALSA-N 390.863 4.300 30 40 GIEB biogenic CCC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 5664173 IXBQEKYFGIOCFL-DLQQFWPKSA-N 388.460 4.203 30 40 GIEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(OC)c2O)ccc1O 13120061 STGHGKZTNYRZTM-YDZHTSKRSA-N 389.411 4.180 30 40 GIEB C=CCOc1c(Br)cc(CNCCc2ccc(F)cc2)cc1OC 22074606 RBBDJPHZCMVWAO-UHFFFAOYSA-N 394.284 4.494 30 40 GIEB COc1cc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)ccc1OC(C)=O 59459438 MMUYXBPNUXBZLP-ODLFYWEKSA-N 396.468 4.129 30 40 GIEB Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C 101649908 NEEWPNYXSMQXEI-BFQBXFRASA-N 381.501 4.202 30 40 GIEB COc1cccc(OCc2nc(SCc3cccc(C)c3)nc(N)c2C#N)c1 223693396 HXKQEOFYGRCKBR-UHFFFAOYSA-N 392.484 4.119 30 40 GIEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Cl)cc3)o2)cc1 408780940 NWSJYJUQSRGIRI-CIAFOILYSA-N 388.876 4.471 30 40 GIEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OC(C)C 408897721 NWYWITIBOJTATC-UHFFFAOYSA-N 381.472 4.183 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C(=O)N1CC 408930250 UQXKCUDVDAEBDW-QLHXNQQISA-N 398.484 4.354 30 40 GIEB CC(C)/N=C1\S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1C(C)C 409202219 QHBAFYCJDFTTHF-JTGLAQNZSA-N 383.857 4.043 30 40 GIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1O 409284486 TVCCLRACWWWMPU-UHFFFAOYSA-N 381.391 4.398 30 40 GIEB CN1C(=O)N(c2ccc(Cl)cc2)[C@H](O/N=C(/C#N)c2ccccc2)C1(C)C 3172677 NDPQOINCKONLJE-CNGOPUHISA-N 382.851 4.261 30 40 GIEB C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4898226 XXUNRUDGXWNTFM-TXFGNXOESA-N 375.856 4.333 30 40 GIEB CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 6635577 SLFBAXFESMERKD-GOSISDBHSA-N 397.500 4.195 30 40 GIEB COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 7394150 GMADHBWLZBWCOP-UHFFFAOYSA-N 386.407 4.081 30 40 GIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 8022184 KVVCWYFMAIHEQQ-FQEVSTJZSA-N 379.456 4.080 30 40 GIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(C)=O)c3C)C1=O)cn2C 9423386 DVMIDJHZZMNILW-AWQFTUOYSA-N 377.396 4.037 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c(OC)c1 12862232 JOAFNZMYXXYCIF-JMIUGGIZSA-N 392.363 4.132 30 40 GIEB biogenic O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O)Nc1ccccc1Cl 17085390 DCOINECAUCQMFA-CQSZACIVSA-N 394.283 4.241 30 40 GIEB COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 18197243 DJJZSQBZJYOPFA-HXUWFJFHSA-N 380.400 4.177 30 40 GIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(F)F)cc1 19790519 ZSGDUKKMGXYUCA-KRWDZBQOSA-N 391.414 4.065 30 40 GIEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 85346881 HFFZPVPMMMUZEE-VMPITWQZSA-N 378.178 4.360 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccco1 96336093 WALVKQZEACCWAD-AWEZNQCLSA-N 386.816 4.172 30 40 GIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1 225751567 NHOLDGJSIDSXOK-YXCOWNBQSA-N 398.528 4.232 30 40 GIEB N#CCc1cccc(NC(=O)N2CC(Cc3ccccc3Br)C2)c1 599795366 UIVAGHAOJTUAFN-UHFFFAOYSA-N 384.277 4.222 30 40 GIEB COc1cc2nc(S[C@H](C)C#N)n(CCC3=CCCCC3)c(=O)c2cc1OC 3455335 CNAMBDHNANGXFN-CQSZACIVSA-N 399.516 4.308 30 40 GIEB COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(C(C)C)cc3)NC2=O)cc1 4199557 MVEMNPHEBQPCMW-MMYQVZLOSA-N 379.485 4.413 30 40 GIEB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12 5182726 PWVLDNUOROKBKJ-UHFFFAOYSA-N 396.903 4.092 30 40 GIEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 5357306 JDBDAOFCTQIQDI-ZVBGSRNCSA-N 399.325 4.085 30 40 GIEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)/C=C/c1ccc(OCC#N)cc1 9799165 ULKYVIAOJDMQRK-YHVDPYDOSA-N 388.423 4.207 30 40 GIEB Cc1ccc(NC(NC(=O)c2cccc(F)c2)(C(F)(F)F)C(F)(F)F)nc1 15276578 VQEOWJKODVYQEU-UHFFFAOYSA-N 395.278 4.192 30 40 GIEB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1(C#N)CCCCC1 30007090 FYVZFPDTGDIKKU-GOSISDBHSA-N 377.488 4.409 30 40 GIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)NC(=O)N1c1ccc(C#N)cc1 32891512 DVUYFMVWRNJOKY-GOSISDBHSA-N 381.457 4.116 30 40 GIEB CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 59868379 TVHAZVBUYQMHBC-VLRWBWIZSA-N 382.541 4.255 30 40 GIEB COC(=O)/C=C1/S/C(=N/c2ccc(F)c(Cl)c2)N(CCC(C)C)C1=O 101663888 VMCVVLKBGJWHHX-NOBJWMCXSA-N 384.860 4.145 30 40 GIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 104375537 VCLOBOJWLPFILB-ULKGGKBBSA-N 380.831 4.049 30 40 GIEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Br 408568108 HRIVXQNQBLFIDC-MRXNPFEDSA-N 399.244 4.351 30 40 GIEB Cc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C#N)cc2c1 832530 MGFWZGSFNKWNKW-UHFFFAOYSA-N 378.413 4.054 30 40 GIEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cc(C)on1 3405518 PGKGKTRJQSGCDW-UHFFFAOYSA-N 388.880 4.417 30 40 GIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(C[C@H](C)CC2=O)N1 4802781 NVJWXTVQUNWOPT-FPTDNZKUSA-N 387.483 4.243 30 40 GIEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5155941 ONNPKDFXXQVXNA-SXGWCWSVSA-N 388.217 4.126 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cccc(O)c1 16711960 JWTPBRBPPHIHCX-WGZDZCCCSA-N 381.413 4.090 30 40 GIEB CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(OC)cc1 97466965 GYXVNZKQAMKVOK-GWSFVKJMSA-N 398.484 4.423 30 40 GIEB CCc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)c(C)c3)C(=O)N2C)cc1 101650756 HDQPDJPOLYHNGH-RSTPCFTMSA-N 395.528 4.456 30 40 GIEB COc1ccc(/C=C2/N=C(SCCC#N)N(c3cccc(OC)c3)C2=O)cc1 104391881 JNHVFFVZGMMFCV-CPNJWEJPSA-N 393.468 4.094 30 40 GIEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 409094879 GEMXSXODCBIGDA-GZTJUZNOSA-N 383.425 4.264 30 40 GIEB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 409154113 JTPOMBFYRJLADS-FUHIMQAGSA-N 377.400 4.332 30 40 GIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(O)c1 409274624 FAIZOKKGPIKVKV-UHFFFAOYSA-N 381.391 4.398 30 40 GIEB CCOC(=O)c1sc(/N=C/c2cc(Br)ccc2O)c(C#N)c1C 1009507 VZFXTDVRKPUPSY-UFWORHAWSA-N 393.262 4.324 30 40 GIEB O=C(C[n+]1cc(-c2ccc(Br)cc2)n2c1CCC2)c1ccccc1 3203778 CERLQXZLCDNWRB-UHFFFAOYSA-N 382.281 4.034 30 40 GIEB COc1ccc(-c2c[n+](CC(=O)c3ccc(F)cc3)c3n2CCCCC3)cc1 3204035 KFVGPPTUNGGXMP-UHFFFAOYSA-N 379.455 4.200 30 40 GIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 4601931 INBFTCKHTCGIDN-ZHZULCJRSA-N 393.464 4.334 30 40 GIEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)c(OC)c1 6205306 BVFBRWUQTIWOFT-YDZHTSKRSA-N 385.533 4.331 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2 7496045 PFATZXYKDNSTTQ-IVZQSRNASA-N 382.423 4.440 30 40 GIEB CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)/C=C/c2ccc(N(C)C)cc2)=C1C 12324383 HGCDLTATGGQTAK-IGVGMEOHSA-N 389.499 4.395 30 40 GIEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CC1 12803071 WQNWPVNPVFLDOG-NSHDSACASA-N 396.438 4.480 30 40 GIEB CCOc1ccccc1/C=C/C(=O)c1ccc(OC)c(CSCC(=O)O)c1 13094372 GZGSEJUBPYTYNO-CSKARUKUSA-N 386.469 4.308 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C#N)c1 225781477 WTEABZQZDLZNCN-UHFFFAOYSA-N 394.471 4.043 30 40 GIEB COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225878302 PBVCDJUSIZODCJ-UHFFFAOYSA-N 382.291 4.491 30 40 GIEB COc1ccc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1OC 408976170 PZLNWOIWEDTRRD-CIAFOILYSA-N 380.404 4.165 30 40 GIEB CCN(CC)c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409119928 UOBBKAAOKBATTC-YBFXNURJSA-N 392.257 4.045 30 40 GIEB O=C(CO/N=C\c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccccc1 409370346 PGIHYMGMXUUWKI-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 4699892 PBIWTBKHSZSYLA-BAOKRACBSA-N 391.855 4.069 30 40 GIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccccc2N2CCCC2)c1 6615547 HECWHOCIMNRVRC-YBFXNURJSA-N 390.237 4.414 30 40 GIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccccc4)C3=O)n2)cc1 12413047 SBGWDNICTVSAOW-NKFKGCMQSA-N 391.456 4.009 30 40 GIEB CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CCC#N)cc1 12641876 VBCQYKAMJLNBRV-UHFFFAOYSA-N 392.484 4.273 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 16974062 INYSTSIHESUIHZ-ZUOKHONESA-N 392.846 4.053 30 40 GIEB COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 18197477 NKZOSICLGDXSRR-JOCHJYFZSA-N 378.472 4.334 30 40 GIEB COc1ccc(CN/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1OC 20195902 IXLVOPKNXXMJTA-FSJBWODESA-N 399.378 4.135 30 40 GIEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 100765964 ZLIRGENKUOILJW-SFTDATJTSA-N 397.490 4.414 30 40 GIEB O=C1C(Nc2ccccc2)=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21 102929888 DTSAXMCEQRPBHH-GFMRDNFCSA-N 388.448 4.057 30 40 GIEB CCCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 408938262 PRNJZZHPDVQBKZ-UNOMPAQXSA-N 388.380 4.137 30 40 GIEB C=CCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1OC 4661527 SSEPQNPLCUERPN-UHFFFAOYSA-N 392.249 4.333 30 40 GIEB O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1c(Cl)cccc1Cl 5234007 JMIHCBBUTQUMPD-NACCWKTGSA-N 384.313 4.219 30 40 GIEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc(Br)c2)S1 7276529 XQVSHZCOTMWPTB-GDNBJRDFSA-N 389.274 4.349 30 40 GIEB C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC1(C#N)CCCCC1 7646023 WMYJWQZCNGCNIY-NSHDSACASA-N 385.689 4.212 30 40 GIEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c1 13730653 HHVZLNNBHLDNPT-NHDPSOOVSA-N 389.407 4.257 30 40 GIEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O 16682312 UMTQSWHFPUYFKF-VXLYETTFSA-N 398.890 4.406 30 40 GIEB Cc1nc(N/C(N)=N/C(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 17122871 VUJHOVPKAUHCOY-UHFFFAOYSA-N 389.246 4.204 30 40 GIEB COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 32291896 FKQQHXUNXNHQOW-UHFFFAOYSA-N 388.423 4.407 30 40 GIEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916050 AKMGOLMVBIBATQ-FDBGWFQCSA-N 382.548 4.386 30 40 GIEB COc1cccc(/C=N/c2cccc(Br)c2)c1O[C@H](C)C(=O)O 409230749 GATJIIMVYQOYJS-VURRPDKYSA-N 378.222 4.060 30 40 GIEB CCOc1ccc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)cc2c1 915342 ZAFOUWUTTPPDIG-UHFFFAOYSA-N 391.496 4.222 30 40 GIEB COc1ccccc1N/N=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175355 PTOSEDUVKAFDBG-PXLXIMEGSA-N 379.401 4.067 30 40 GIEB Oc1ccc(Br)cc1/C=N/Nc1ncnc2sc3c(c12)CCC3 5749381 MEWDWLCZBQCARH-IFRROFPPSA-N 389.278 4.094 30 40 GIEB O=C1/C(=C/c2cccs2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 9419432 ZJCRJUFMKZCCJR-PDGQHHTCSA-N 384.434 4.132 30 40 GIEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccccc1Br 13303049 WDRRJBFNVQEHAV-FCDQGJHFSA-N 392.256 4.334 30 40 GIEB C=CCN1C(=O)N(C2CCCCC2)[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C 13763592 VOESJHBHTXGNHH-GOSISDBHSA-N 392.544 4.081 30 40 GIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 18205476 DCDRWALIAGTXEH-QGZVFWFLSA-N 394.427 4.374 30 40 GIEB COC(=O)C1=CNC2=C(C(=O)CCS2)[C@H]1c1ccc(-c2ccccc2)cc1 25315195 XIQUKMSWJGPPGO-IBGZPJMESA-N 377.465 4.015 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(OC)cc3)nc2c1 35311897 PLHVKKWHFTWGEI-UHFFFAOYSA-N 393.468 4.245 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCCOc1cccc([N+](=O)[O-])c1 42157322 VIOOXCKNHRYKSM-UHFFFAOYSA-N 396.472 4.134 30 40 GIEB Cn1c(=O)c(/C=C2\SC(O)=N\C2=N\c2ccc(F)cc2)cc2ccccc21 71288742 ACOVAUZREJYLCY-BOPFTXTBSA-N 379.416 4.410 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccs2)cc1 104226610 MOQUWWQSQORJHX-DPEHCCBOSA-N 382.466 4.139 30 40 GIEB CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408751182 XMELGZCRUMHEFT-WSVATBPTSA-N 399.632 4.250 30 40 GIEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1O 409035953 UTNHICMDHWCBKS-SQFVCTCFSA-N 382.663 4.158 30 40 GIEB Cc1cncc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)c1 585294847 VKOCDMGQTNHRFA-UHFFFAOYSA-N 384.487 4.175 30 40 GIEB C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC 953018956 LXLRPYWZCFQFTN-NRFANRHFSA-N 379.456 4.423 30 40 GIEB CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1 891568 IZODITIEMPJVLQ-KDOFPFPSSA-N 383.517 4.292 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 4406214 MEQRVCMWCLVXAP-ZUNHGIIWSA-N 398.409 4.196 30 40 GIEB Fc1ccc(COc2ccc(/C=N/NC(=S)NCc3ccccc3)cc2)cc1 4511780 NGYZNPSVFVFUCM-MFKUBSTISA-N 393.487 4.403 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 4712086 LNTVBVDYZSJHNE-RGVLZGJSSA-N 379.332 4.136 30 40 GIEB CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(F)cccc2s1 5122019 KLBJBQJGYFFXCB-UHFFFAOYSA-N 396.491 4.296 30 40 GIEB COc1cccc(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)c1 5128937 GXEATRSQBSXPBR-BQYQJAHWSA-N 377.234 4.371 30 40 GIEB CCOc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O 7814810 TUFRSCFYKUQPKO-VOTSOKGWSA-N 392.835 4.366 30 40 GIEB C=CCSc1nc2ccccc2n1C(=O)c1cc(OC)c(OC)c(OC)c1 12614452 NJGNVRAXZBXHDO-UHFFFAOYSA-N 384.457 4.029 30 40 GIEB C=CCc1ccccc1OCc1cc(=O)n2nc(-c3ccccc3)sc2n1 13367751 NCUFIBBRIGOIAG-UHFFFAOYSA-N 375.453 4.126 30 40 GIEB N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1 20503498 ZFTAOVXWJPSTAF-PZJWPPBQSA-N 399.469 4.145 30 40 GIEB biogenic,in-vitro C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2sccc2c1=O 32946292 RHKXZXLYOYYECL-JTQLQIEISA-N 392.452 4.286 30 40 GIEB C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1OC 36359348 TUIOGRYAENWTHQ-KRWDZBQOSA-N 391.402 4.156 30 40 GIEB COc1cc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OCC(C)C 40087549 ASXKFYDVEYCZIK-SJORKVTESA-N 396.487 4.246 30 40 GIEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cs1 40140029 RJRKHXAWCXKUOU-RMKNXTFCSA-N 384.379 4.311 30 40 GIEB CCCCn1cnc2c(c1=N)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 101170446 GQQDYRKERKYDNX-GOSISDBHSA-N 377.488 4.330 30 40 GIEB N=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)[C@H]1c1nccs1 137608662 MPIVTHIJCGLKFG-MPFDYLAPSA-N 381.276 4.029 30 40 GIEB COC(=O)c1ccc(N2[C@H](c3ccccc3O)Oc3ccccc3[C@@H]2C#N)cc1 230146914 XNISWUZRAVUTNA-UGKGYDQZSA-N 386.407 4.341 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 409116390 MIFPPOZIRXFIPU-LDADJPATSA-N 396.468 4.103 30 40 GIEB COc1cccc(/C=N\c2ccccc2Br)c1O[C@@H](C)C(=O)O 409233193 RSKGGDIVIXHPGT-ORPVNXHJSA-N 378.222 4.060 30 40 GIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2306905 RCUMYSFDXKTVEM-UHFFFAOYSA-N 387.830 4.123 30 40 GIEB N#Cc1c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 6063766 QNEUZLYXXBKNGQ-UHFFFAOYSA-N 398.528 4.197 30 40 GIEB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6656761 JGDYSKANGAYDEF-GFCCVEGCSA-N 399.541 4.270 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 8959543 VRZJGDCPGFOWSD-UHFFFAOYSA-N 398.890 4.459 30 40 GIEB C[S+](C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 97982997 IBZFGPNWHZNASB-UHFFFAOYSA-N 377.214 4.306 30 40 GIEB Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1cccc([N+](=O)[O-])c1 100116540 HOTBYPSZIZURHD-RGVLZGJSSA-N 380.360 4.367 30 40 GIEB O=C1C=Cc2ccccc2/C1=N\Oc1ccc2noc3c2c1C(=O)c1ccccc1-3 100745079 ZFJLQEXYZCAOLT-XTCLZLMSSA-N 392.370 4.418 30 40 GIEB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408803303 NMESPVRDGJITBJ-UHFFFAOYSA-N 384.868 4.314 30 40 GIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(C)c1 408847925 VWWDHMQWAIMMJY-HXUWFJFHSA-N 389.451 4.135 30 40 GIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C 409322692 LJFDLBXKOFZYFW-UHFFFAOYSA-N 384.277 4.302 30 40 GIEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3ccccn3)cs2)c1 585295230 QVLZAHXLFNXJDC-SFHVURJKSA-N 376.489 4.276 30 40 GIEB COc1cc(C)ccc1C(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12 12981923 JLKPCSGEGNLDJW-VOTSOKGWSA-N 375.350 4.270 30 40 GIEB COc1ccc(C(=O)Nc2cccc(/C=C3\Oc4cc(O)ccc4C3=O)c2)cc1 22016485 JRYADLPEABVMHX-MTJSOVHGSA-N 387.391 4.269 30 40 GIEB C[C@H]1CN(C(=O)C2(C#N)CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C 95441935 BCBMGKPTHXIUHP-INIZCTEOSA-N 383.492 4.243 30 40 GIEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224794975 MRVHCXYNEWMXCM-UHFFFAOYSA-N 375.490 4.209 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 1091622 PPDWGFUYBFXBRM-FSJBWODESA-N 376.412 4.360 30 40 GIEB O=C1N/C(=N/NCc2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1 5214734 VJRHHYPEGUBGHZ-DHDCSXOGSA-N 378.284 4.258 30 40 GIEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 10326925 BLDGGJLLEVHGEG-UHFFFAOYSA-N 389.842 4.056 30 40 GIEB C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 13881342 FUYIKTQNBLAWAU-RVDMUPIBSA-N 389.274 4.462 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(O)c(O)c1)OCO3 18197459 OZQRSYUUHFXYHY-HXUWFJFHSA-N 379.412 4.027 30 40 GIEB C#CCOc1ccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cc1 36740514 CQTPNHVSCUZUTA-UHFFFAOYSA-N 391.559 4.405 30 40 GIEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3C)C(=O)N2C)cc1C 54979075 QZQSOYGWLAUNRS-KHOFPDMRSA-N 381.501 4.202 30 40 GIEB Cc1c(F)cc(C#N)cc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 58086249 WJMQLWAUQQLTGA-UHFFFAOYSA-N 381.455 4.103 30 40 GIEB N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 71843994 YKCXERGUPYYVBO-RBSFLKMASA-N 388.393 4.003 30 40 GIEB Ic1ccc(/C=N/N=C2/C[C@@H](c3ccccc3)N=N2)o1 101581170 UZXPSAYUOVUZJR-VVIIIIBDSA-N 378.173 4.214 30 40 GIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218407173 XYYYKHYBICHIBT-UFYCRDLUSA-N 389.904 4.135 30 40 GIEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408784698 RWWIUPXCSDZCKJ-FSJBWODESA-N 395.846 4.247 30 40 GIEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)cc1 408784860 VXAVAAZQHFNODK-WLJFKGHSSA-N 388.496 4.327 30 40 GIEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2 794762 PKFLWDOMAMRDNV-UHFFFAOYSA-N 383.791 4.119 30 40 GIEB C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 1024784 NSBRKSWSLRQPJW-LYZACZEUSA-N 396.487 4.354 30 40 GIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1c1ccccc1 1079966 IMFKAJVJQYZBAB-GHTZIAJQSA-N 394.427 4.135 30 40 GIEB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 2263968 UIPOXROFMWJQRO-BKUYFWCQSA-N 382.423 4.063 30 40 GIEB COc1cc(/C=N/OCC(=O)NC2CCCCC2)ccc1OCc1ccccc1 3579048 RRWWPYPACRHXOA-BUVRLJJBSA-N 396.487 4.074 30 40 GIEB COc1ccc(OC)c(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c1 5916310 FKHZUXVJEAYYKR-UHFFFAOYSA-N 388.423 4.238 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccccc3)c2C#N)C1 6764125 WCWFHEALQKDFAE-AORWBKJGSA-N 381.526 4.271 30 40 GIEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 9037191 JXWWMNXYUOUUMR-UHFFFAOYSA-N 387.464 4.071 30 40 GIEB Clc1cccc(Cl)c1CN/N=C/c1ccc(I)o1 9195474 ICHNXLISEWQVDW-OMCISZLKSA-N 395.027 4.315 30 40 GIEB N#Cc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25436780 FCIZNUHUGQNFSR-UHFFFAOYSA-N 396.494 4.497 30 40 GIEB N#Cc1ccc(C(=O)/C=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 33580424 YJUMYSNGAKHULA-YWEYNIOJSA-N 388.408 4.304 30 40 GIEB C[C@H]1C[C@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C(=O)O1 84686120 WVDMZXPOJJZHID-SDBXPKJASA-N 384.404 4.497 30 40 GIEB C=C(C)C(=O)Nc1sc2c(c1C(=O)OCC)-c1cc(OC)c(OC)cc1C2 95475417 ODBHXOVSYLLOAV-UHFFFAOYSA-N 387.457 4.028 30 40 GIEB COc1ccc([C@@H](C/N=C/c2c(O)ccc3ccccc23)N2CCOCC2)cc1 97931234 BXYHKQYJYRKYNT-DZQSVEARSA-N 390.483 4.046 30 40 GIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@H](C)CNC(=O)[C@@]13CC[C@H](C1)C(C)(C)C3=C)C2 100277576 CROQMTIRWFBSQR-JDHUIACFSA-N 398.591 4.372 30 40 GIEB Cc1cccc(C)c1N=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C 408964822 SOQDLTIOPZVQBK-YRXZHPSBSA-N 383.429 4.151 30 40 GIEB COc1ccc([C@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1OC 1715766 HELHITGEKNZWFZ-RTBURBONSA-N 390.501 4.444 30 40 GIEB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 4737194 CKLAPKVEJOKEHE-RAAPGFIXSA-N 382.504 4.145 30 40 GIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(Br)cc1 5559683 XOYHHBFIJJOQBB-IJAAGYKOSA-N 390.233 4.190 30 40 GIEB C/N=C1\S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1C 15225238 GDPBFCNCOOJXKE-ZHUAHHRVSA-N 379.460 4.361 30 40 GIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1OC(C)=O 33658351 WTBIACUVRMVXPD-SSDVNMTOSA-N 384.457 4.192 30 40 GIEB CCOc1c(Br)cc(/C=C2/Oc3cc(O)ccc3C2=O)cc1OC 96920996 MJSGWTGZSYWYQT-VIZOYTHASA-N 391.217 4.178 30 40 GIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 102434579 RODDIZGEKSXMLZ-JBCNATCCSA-N 384.435 4.012 30 40 GIEB CCOC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242464024 DTDQJTKBBHTPNA-XUVXKRRUSA-N 389.904 4.135 30 40 GIEB Cc1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1Cl 409358719 LJMTUFXSTHCNSY-UHFFFAOYSA-N 379.803 4.206 30 40 GIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2C)cc1 1011702 WVFBPSWXLFIQJY-NIPZQEADSA-N 386.498 4.467 30 40 GIEB COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC#N)cc1 4126276 BRUJDKZYYUHJAO-UHFFFAOYSA-N 399.907 4.466 30 40 GIEB CCOC(=O)/C(=N\Nc1ccccc1)c1csc(Nc2ccc(OC)cc2)n1 4159291 YXAYPAKSFVTXMR-MOHJPFBDSA-N 396.472 4.275 30 40 GIEB CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N 4450366 GBJWABJKOOVKKW-ZLNRFVROSA-N 383.451 4.076 30 40 GIEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC 10118732 LTMCDCLJHYQBNB-KEBDBYFISA-N 383.673 4.243 30 40 GIEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H](C)c1ccc(F)cc1 12520526 YXZZKHVZTVGKDP-GJZGRUSLSA-N 396.491 4.447 30 40 GIEB N#Cc1ncoc1N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 26770276 ATVIGACTTQYQDF-BHGWPJFGSA-N 388.818 4.498 30 40 GIEB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)nc2)c(C)c1 32915853 YWPKXZHWGHVUOS-UHFFFAOYSA-N 393.468 4.472 30 40 GIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 33011221 YCGLHAIFXYDMFR-UHFFFAOYSA-N 393.443 4.499 30 40 GIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)no1 102803422 INIXGNKOJMPMQS-LFVOPCPISA-N 392.411 4.326 30 40 GIEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218472344 PJVUXKTVOIOLOO-OKZBNKHCSA-N 396.295 4.089 30 40 GIEB C=CCc1ccccc1OC[C@@H](O)Cn1c(-c2cscn2)nc2ccccc21 24927779 MMLHTKVGPNUTDT-KRWDZBQOSA-N 391.496 4.328 30 40 GIEB NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)N1Cc1ccccc1 12560405 BENXTHNEKOGMPK-NRFANRHFSA-N 380.451 4.016 30 40 GIEB C=CCc1cccc(/C=N/n2c(-c3ccc(OCC)cc3)n[nH]c2=S)c1O 1479034 MPHQDEQOSBPHIX-FYJGNVAPSA-N 380.473 4.323 30 40 GIEB CSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611471 IWTALNMMTLONRJ-DJKKODMXSA-N 376.869 4.324 30 40 GIEB CCCOc1ccc(/C=N\OCC(=O)Nc2cccc(C)c2C)cc1OCC 107798540 OUOCAODOGUPSGY-UCQKPKSFSA-N 384.476 4.480 30 40 GIEB CC(C)CNC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 12755241 CHPQZLNHXCFOKF-UHFFFAOYSA-N 375.516 4.209 30 40 GIEB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 89921995 SQIUJGBXYIOUMR-MLGOLLRUSA-N 379.485 4.345 30 40 GIEB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 19816806 NQVMSGIXYMIHOJ-JUXNATCKSA-N 397.474 4.402 30 40 GIEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409071914 QNWHPZCHIOTFMT-JZOCJUILSA-N 378.816 4.275 30 40 GIEB N#Cc1cccnc1OC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 96102866 TYEVTXYKPPHHTE-UHFFFAOYSA-N 397.478 4.155 30 40 GIEB CCOc1ccc(-c2csc(C(=O)OC)c2/N=C/N(C)C)cc1OCC 100025592 PLKWMNOCDRWBMN-UDWIEESQSA-N 376.478 4.221 30 40 GIEB Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c2c1CCCC2 1301074 ANPXPIFNPZVBOO-UHFFFAOYSA-N 390.464 4.222 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 1833882 YMMXLRZVUVLUMQ-BOPFTXTBSA-N 397.477 4.355 30 40 GIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)n1 4333801 VBQBBPQKVDMVDN-SFHVURJKSA-N 376.437 4.234 30 40 GIEB Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1Cc1ccccc1 4492514 SSRQHPIKYPIPKD-OAHLLOKOSA-N 376.485 4.300 30 40 GIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4814158 AEEFYCQCQQMPBH-FOIQADDNSA-N 376.847 4.347 30 40 GIEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1 5827202 SPTVYRWPCFXVOU-RNIAWFEPSA-N 394.442 4.331 30 40 GIEB COc1ccc(N2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@@H]2c2ccccc2)cc1 6314293 PTVIAWWQDJIQEL-NRFANRHFSA-N 396.450 4.029 30 40 GIEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(Br)c1OC 6387787 PAIIGSBXVBNFMU-VXLYETTFSA-N 389.253 4.179 30 40 GIEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1cccc(C)c1 6743975 VCTSQXCVEIKRJJ-UHFFFAOYSA-N 378.432 4.274 30 40 GIEB CCOc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 6959429 JIQXYYKHVULBNP-AWQFTUOYSA-N 383.231 4.218 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1Cl)n1ncnc1N2 17029151 OHKQPIVUEOADSO-ODXCJYRJSA-N 392.846 4.053 30 40 GIEB Cc1nnc(N/N=C/C=C/c2ccccc2)nc1N/N=C/C=C\c1ccccc1 27579513 RETWLLDHVKAOAS-XMJBPFIOSA-N 383.459 4.402 30 40 GIEB Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)cc1 35897681 QGYCFTTWTKCJOW-OHQAAIJDSA-N 392.480 4.365 30 40 GIEB C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 48242795 KBAAWUDHYCOUQP-CQSZACIVSA-N 386.411 4.098 30 40 GIEB N#Cc1c(NC(=O)CCn2c(=O)oc3ccccc32)sc2c1CCCCCC2 84600143 SBOVRODVOVCPSC-UHFFFAOYSA-N 395.484 4.215 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(OCC)c(Br)c2)C(=O)N1CC 408930355 VZXVRKSWDTZYFB-WVTXTPTHSA-N 383.311 4.160 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(F)cc1 2210773 WTNQGEOOGTVHQA-UHFFFAOYSA-N 382.464 4.309 30 40 GIEB N#CCOC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4548648 WFYUHGQMYDEJAN-UHFFFAOYSA-N 382.319 4.445 30 40 GIEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 4814164 LZPHHTUPSJGXLM-RNODOKPDSA-N 394.837 4.486 30 40 GIEB CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 5025752 SZWSCHASVIKEHC-BDXSIMOUSA-N 394.519 4.309 30 40 GIEB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 6952920 JELMSDAHUXORKJ-RZQQEMMASA-N 377.400 4.332 30 40 GIEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)c([N+](=O)[O-])c1 7343368 WWRRDCFYDLXYOQ-CIAFOILYSA-N 375.388 4.496 30 40 GIEB C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 7645866 HBCXWJOZDSLBOK-GOSISDBHSA-N 390.483 4.165 30 40 GIEB CCOc1ccc(OC[C@@H](O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 12847211 SEHBDQNBVQDUGE-NRFANRHFSA-N 389.451 4.443 30 40 GIEB COc1ccc(CC[C@](C)(O)C#CCN2CCCC[C@@H]2c2cccnc2)cc1 55236061 IRUDFFVUOWSUDD-DNQXCXABSA-N 378.516 4.004 30 40 GIEB biogenic C#CCOC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 226236274 YNWHKYIRLFXXMX-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 226344134 QFHJMJBQCRZQRR-UHFFFAOYSA-N 375.197 4.474 30 40 GIEB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCC#N 408985284 ANPATAILBAWTSV-UHFFFAOYSA-N 381.457 4.244 30 40 GIEB COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2)cc1 626163 IYKDZZQXRJJLTA-IBGZPJMESA-N 379.456 4.206 30 40 GIEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 626389 IVZCZPYIWWMUIZ-HXUWFJFHSA-N 394.858 4.348 30 40 GIEB biogenic,in-vitro Cc1cc(NC(=O)CO/N=C/c2c(F)cccc2F)ccc1Br 3375695 XMPDQIKICDVTTL-DNTJNYDQSA-N 383.192 4.025 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1cccc(O)c1 4279346 DJSNSKBJUCNSSC-HXUWFJFHSA-N 386.455 4.309 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc3ccccc3o2)c1 4332170 CUDLPWGXLFTVDQ-UHFFFAOYSA-N 376.412 4.153 30 40 GIEB O=c1c(/C=N/Nc2ccccc2)c(SCc2ccccc2)nc2ccccn12 4750688 CLFWATZCANPBRZ-HZHRSRAPSA-N 386.480 4.433 30 40 GIEB CN(C)CCO/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4921436 VDVFPECJIDUPKS-YARFRRPMSA-N 376.585 4.324 30 40 GIEB C=CCN/C(S)=N/N=C\c1ccc(OCc2ccccc2F)c(OCC)c1 5237062 OJIXHHGUOYJLCB-QRVIBDJDSA-N 387.480 4.199 30 40 GIEB CCOC(=O)/C(=N\c1ccc(Br)cc1)NNc1ccc(Cl)cc1 5609843 IQKXZLZTLGEMTG-UHFFFAOYSA-N 396.672 4.312 30 40 GIEB Cc1ccc(S(=O)(=O)/N=C(\Nc2ccc(O)c(C)c2)c2ccccc2)cc1 6023537 QETNQHJLQUZKRO-UHFFFAOYSA-N 380.469 4.257 30 40 GIEB Cc1nc(N/N=C2\C(=O)Nc3ccccc32)c2cc(-c3ccccc3)sc2n1 6218977 QJGWSHXQDLGEPD-UHFFFAOYSA-N 385.452 4.435 30 40 GIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 6658598 GMLFDFZNFDVYMF-QKKBWIMNSA-N 392.409 4.280 30 40 GIEB N#Cc1c(O)nc(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 7995197 KXANNJMOIULRRP-UHFFFAOYSA-N 396.859 4.105 30 40 GIEB COCCn1c(SCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 9141100 LNKSFIHZKPUPDQ-UHFFFAOYSA-N 391.905 4.040 30 40 GIEB C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 12791013 NGZOYEHHGASHTC-SOFGYWHQSA-N 386.831 4.274 30 40 GIEB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C#N 225773765 VGGFTMBAHOZPLF-UHFFFAOYSA-N 378.472 4.342 30 40 GIEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C/c1cccc(O)c1 408752149 GDTFOZGSSYMLTB-NTEUORMPSA-N 375.247 4.046 30 40 GIEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408777629 DPYTXRSIWOHUIM-ZMOGYAJESA-N 389.455 4.210 30 40 GIEB C=CCc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc(OCC)c1O 408804877 BWZJFWPMEKAULP-UHFFFAOYSA-N 399.467 4.421 30 40 GIEB CCCCCCCCNC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 408974253 DOWKNLYMRDTWMQ-UHFFFAOYSA-N 387.505 4.040 30 40 GIEB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S/C1=N/c1ccc(F)cc1 409224046 HGFAAOVYHJQWIG-WOLOTKMDSA-N 387.392 4.063 30 40 GIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2oc3ccccc3c2C)c1 3365325 VQAMGASSAJCSKX-UHFFFAOYSA-N 390.439 4.462 30 40 GIEB COc1ccc(/C=N/Nc2ccnc(SCc3ccccc3)n2)c(OC)c1 4348598 RSOGRNLUSSDDTD-LPYMAVHISA-N 380.473 4.232 30 40 GIEB CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 6652795 QACBTJICUQOXPC-MRXNPFEDSA-N 378.501 4.484 30 40 GIEB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C(=N\c2ccccc2)N1 6816323 FTEJKJUZJUHKHX-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB COc1cc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)cc(OC)c1OC 8469943 VXVSEUTYSCCRHJ-MDZDMXLPSA-N 391.427 4.355 30 40 GIEB CCOC(=O)Cn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10118882 KGQZNMHIVHYDLR-ZMOGYAJESA-N 383.879 4.290 30 40 GIEB COc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC(C)C 11334766 WHOFXBCIPOXQON-ZHACJKMWSA-N 381.472 4.215 30 40 GIEB CCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@H](c2ccc(OC)cc2)NC1=O 12321476 GZZWLUZXBFEVRK-UNJYKCMZSA-N 376.456 4.256 30 40 GIEB N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)sc2c1CCCCC2 12533703 DQWXSHWGDHBUGO-UHFFFAOYSA-N 382.514 4.496 30 40 GIEB Cc1nc2ncnn2c(O)c1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 16249421 GNTLIFLUXYYUGE-GZIVZEMBSA-N 387.321 4.168 30 40 GIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1Cl)n1ncnc1N2 18197328 VECJRYUQXNQDIY-BBATYDOGSA-N 382.876 4.409 30 40 GIEB CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc2cnccc21 89305535 DPKGGEGHKGWSSI-UHFFFAOYSA-N 393.516 4.107 30 40 GIEB Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)c1 101650926 FISYBZGAKJTAAC-SIUCFOQUSA-N 381.501 4.202 30 40 GIEB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 101827508 CKLAPKVEJOKEHE-GYQJVPAHSA-N 382.504 4.145 30 40 GIEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc(Cl)c(C(=O)O)c3)o2)c1 409217237 TYTBIUKJKIIKFZ-UFFVCSGVSA-N 384.775 4.442 30 40 GIEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S/C1=N/c1ccc(F)cc1 409241991 ZRBKLZZLVNOHKG-ZYVCTYRMSA-N 387.392 4.063 30 40 GIEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 4174561 HJRIGSNQNHOTML-UHFFFAOYSA-N 388.448 4.368 30 40 GIEB Cc1cc(C)c2c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc2c1 6660494 LXDWXBBPUHWMNE-UHFFFAOYSA-N 378.453 4.474 30 40 GIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)o2)n(C2CCCCC2)c1C 12812340 FFCIGBWKHJVXCI-UHFFFAOYSA-N 399.520 4.473 30 40 GIEB N#CC1(C#N)[C@@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)C1(C#N)C#N 13765192 XIEYOUHIQAGYNM-HDICACEKSA-N 392.249 4.446 30 40 GIEB CCNC(=S)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32124835 YHRDRGXPWHQHAF-GRSHGNNSSA-N 394.909 4.217 30 40 GIEB CC(=O)c1cc2c(N)c(C(=O)Nc3ccc(C#N)c(Cl)c3)sc2nc1C 32929448 PAHUYPKRUIJBBD-UHFFFAOYSA-N 384.848 4.167 30 40 GIEB COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1 95593934 YTRKGSFSZXFLJT-UHFFFAOYSA-N 399.498 4.124 30 40 GIEB CCCCCCCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1CC 408560668 NBMSZJVICLZFJL-CYBMUJFWSA-N 381.571 4.387 30 40 GIEB CCCCCCCCCCCCNC(=O)C(=O)NCc1cccc(OC)c1 408707622 PHZPPOYIDJOUMZ-UHFFFAOYSA-N 376.541 4.349 30 40 GIEB O=S(=O)(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 5900355 WAIIWMGXEWUPJZ-HAVVHWLPSA-N 393.512 4.143 30 40 GIEB C=C(Br)Cn1c([C@H]2CC(=O)N(CCCC)C2)nc2ccccc21 12062207 NEMCHZHUEGXHEW-AWEZNQCLSA-N 376.298 4.061 30 40 GIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c1 20624779 QYFOVFXFFOFGHW-BKUYFWCQSA-N 395.455 4.012 30 40 GIEB biogenic Cc1cc(C(=O)O)ccc1/N=C/c1cc(Br)c(N2CCCC2)o1 59303058 SXTJUNRBUYELAU-VXLYETTFSA-N 377.238 4.400 30 40 GIEB Cn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cn1 105543409 BDYWLFLGYFNMAY-PBIIAIQQSA-N 376.504 4.457 30 40 GIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 408738147 QOOLMTKJLNIISM-SRZZPIQSSA-N 397.366 4.496 30 40 GIEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409240475 PYZBHDYVBROLCN-MRSJDWDVSA-N 380.488 4.188 30 40 GIEB C=CCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccc(C)s1 1366017 SPVKCOOPTCXQPY-HNNXBMFYSA-N 388.455 4.123 30 40 GIEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1O 5336054 CYDKWXYSQZFZNU-VCHYOVAHSA-N 381.213 4.455 30 40 GIEB C=CCn1c(SCc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 5482245 STLQRPGRPQWXMT-UHFFFAOYSA-N 393.512 4.121 30 40 GIEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 5864609 KCVWKADFQFXOKQ-HNNXBMFYSA-N 399.541 4.310 30 40 GIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(C)cc1 6477848 RBJNDHHRNVXDMD-AEFFLSMTSA-N 384.549 4.227 30 40 GIEB C=CCNC(=S)N/N=C/c1ccccc1OCCCOc1cc(C)cc(C)c1 6500836 WRDNVHOTVVXYDV-LFVJCYFKSA-N 397.544 4.135 30 40 GIEB C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccccc1)N1CCCCC1 12523548 UBLFSBJDTMOCKZ-MRXNPFEDSA-N 390.516 4.232 30 40 GIEB C=CCN1C(=O)/C(=C\c2c[nH]c3cc(OC)ccc23)S/C1=N\c1nccs1 13691649 BDAYZZUDIGKCOC-ZUJMPGSOSA-N 396.497 4.423 30 40 GIEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc2c(c1)OCCO2 26442037 QNTQBHAYVOOXQD-DQRAZIAOSA-N 380.469 4.415 30 40 GIEB CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N 36006849 PRYHLLMOEDZPCL-DNVJHFABSA-N 383.451 4.201 30 40 GIEB O=C(O)c1ccc(C/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59104114 MOFUNGXKBVEFOH-ZVHZXABRSA-N 389.407 4.281 30 40 GIEB CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409013993 OJIJLGRBEIGPCV-QKIXXSFTSA-N 399.443 4.255 30 40 GIEB CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O 2353586 KVHDHLDKXPQPLZ-REYLQNMUSA-N 387.530 4.391 30 40 GIEB CCCCN(CCCC)c1ccc(C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1 3042495 GXZCEMHYFIVFMA-UHFFFAOYSA-N 382.511 4.014 30 40 GIEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1C1CCCCC1 3398897 BEZRDVFZINVRDO-UHFFFAOYSA-N 384.549 4.229 30 40 GIEB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2c2ccccc12 3496040 XBUOZVMHIGPXHV-CQSZACIVSA-N 387.468 4.182 30 40 GIEB N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 5270269 XDAZQPFLZFNDOU-UHFFFAOYSA-N 397.356 4.039 30 40 GIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)c(C)c1 6613339 HVZKAHQWGKMLEX-ZHZULCJRSA-N 393.512 4.032 30 40 GIEB C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccccc1F 6743289 LDSCQFYUBZCDLU-OAQYLSRUSA-N 377.419 4.269 30 40 GIEB C#Cc1cccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 23010255 GHFWVRQBXXHDDR-UHFFFAOYSA-N 381.435 4.455 30 40 GIEB C[C@H](c1ccccc1)N(C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 23819902 KZGBCPKQQDVPOO-OAHLLOKOSA-N 392.528 4.053 30 40 GIEB CN1/C(=C\C(=O)COC(=O)/C=C/c2cccc(F)c2)C(C)(C)c2ccccc21 32859660 LDNLRQJQAWKBOA-AROKFOENSA-N 379.431 4.263 30 40 GIEB COc1cc2cc(C#N)c(SCC(=O)c3ccc(C)cc3)nc2cc1OC 35311849 VLLFGKQFLTYELE-UHFFFAOYSA-N 378.453 4.407 30 40 GIEB Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3F)nc2c1 35312816 RRCZXBLGJCJMHH-UHFFFAOYSA-N 377.423 4.178 30 40 GIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 101662262 PWJSZWMXQPXIDP-IBGZPJMESA-N 397.878 4.089 30 40 GIEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1 102962177 WVLFWOBWGYOGDY-OLRQPGBRSA-N 399.903 4.463 30 40 GIEB CC(=O)OCC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@H](C)CC(=O)O 104648151 OLDFOHABNQZMKB-DMSUYQCJSA-N 378.509 4.398 30 40 GIEB biogenic,in-vitro N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H](Cc1ccccc1)c1ncco1 594248367 NTJDQTKUWGTOTC-NHCUHLMSSA-N 386.455 4.207 30 40 GIEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 4125033 GOBIQLQSQYAGOB-UHFFFAOYSA-N 378.413 4.054 30 40 GIEB COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 4516914 YSBBSNONSGBKMZ-UHFFFAOYSA-N 380.835 4.378 30 40 GIEB CCC(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 4614335 KQCACODCDAIUSV-UHFFFAOYSA-N 396.439 4.139 30 40 GIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C 6472749 GOEOICUSMVGKEJ-UHFFFAOYSA-N 392.528 4.403 30 40 GIEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 6549694 FGRUIAWZHIWPFH-AWEZNQCLSA-N 389.484 4.136 30 40 GIEB CC1(C)C(c2ccc(F)cc2)=[N+]([O-])[C@]2(CCCC/C2=N\Nc2ccccc2)N1O 13098292 HTTLVUYFABOQOC-UDXHRHDRSA-N 396.466 4.347 30 40 GIEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)CC1 20533534 WDZQVHNDOWNKHZ-NDENLUEZSA-N 394.427 4.149 30 40 GIEB COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3c(C)nn(C)c3n2)cc1 36613526 UXZXQWCWXZZEDY-UHFFFAOYSA-N 397.438 4.076 30 40 GIEB CC(C)N(Cc1cccnc1)C(=O)c1ccc(COc2ccccc2C#N)o1 58251162 CHVIZNPZLNECMV-UHFFFAOYSA-N 375.428 4.176 30 40 GIEB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCC#Cc1ccccc1 102725200 JGEOQQWEGMQTHX-IGBVOLGGSA-N 386.333 4.278 30 40 GIEB CCCO/C(=N\C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC 103268671 VDBCXPSFYOEONE-FHEVRBNFSA-N 390.530 4.276 30 40 GIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224982906 LNUVKOSHLCWNSJ-UHFFFAOYSA-N 383.922 4.452 30 40 GIEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225049325 PDAWIZRBZJZQLI-UHFFFAOYSA-N 383.469 4.238 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2)n1 227129532 LCKPASQOXBDRBU-VGSWGCGISA-N 386.455 4.153 30 40 GIEB CCOc1ccc(/C=N/c2cccc(OC)c2)cc1I 408903935 BKTWLYZBFNOWCM-WOJGMQOQSA-N 381.213 4.449 30 40 GIEB COc1ccc(CNC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 915358 JGLYXQGWQFJRMD-UHFFFAOYSA-N 391.496 4.140 30 40 GIEB COc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c(OC)c1 5509612 SUBLRGIUUCLSFP-UHFFFAOYSA-N 378.457 4.498 30 40 GIEB CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Br)c1O 7979663 LRVQQLBPWFWGJD-BQYQJAHWSA-N 377.234 4.458 30 40 GIEB CC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 12660983 DSOVMWQHSZFOKL-LOUHGFCVSA-N 393.512 4.407 30 40 GIEB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 14187729 CIKLZIBXEBNWKT-DEOSSOPVSA-N 381.435 4.192 30 40 GIEB CC(C)c1ccc(S(=O)(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 14247164 AWHNHIQCVBZNDE-UHFFFAOYSA-N 381.419 4.159 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1 16737277 CYUZJZNQIHIFKB-FQEVSTJZSA-N 377.440 4.240 30 40 GIEB N#Cc1c(NC(=O)c2cccs2)sc2c1CCN(Cc1ccccc1)C2 19942271 CMFJOMYSSVWDEP-UHFFFAOYSA-N 379.510 4.492 30 40 GIEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(O)c(O)c1 35644390 LDEUWVASNCUVMB-VGOFMYFVSA-N 380.347 4.008 30 40 GIEB COc1cc(OC)c(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Cl 44843757 VZCHTPCFZMOOLD-BQYQJAHWSA-N 377.824 4.183 30 40 GIEB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100148471 PBOVVOGJFCDMCH-BOPFTXTBSA-N 380.448 4.356 30 40 GIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 408749198 FLUALLSLQFBUGX-QRVIBDJDSA-N 392.415 4.414 30 40 GIEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3cccc(Cl)c3)o2)cc1 408776143 MMKXUOBRLYXKRI-CIAFOILYSA-N 388.876 4.471 30 40 GIEB C=CCOc1c(Cl)cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC 409084672 WZWRJWYFZZQPHC-WJDWOHSUSA-N 390.867 4.139 30 40 GIEB COc1cc(OC)c(/C=N/c2ccc(N(C)C(C)=O)cc2)cc1Br 652062 RACPCMYYBGEYOT-RGVLZGJSSA-N 391.265 4.200 30 40 GIEB CN(C)N1C(=O)C[C@H](c2cccc(F)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 1432865 SJPMIDWHYOCAHE-IEBWSBKVSA-N 378.447 4.019 30 40 GIEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(F)cc1 2324567 SERSBWWBSFVDAJ-UHFFFAOYSA-N 383.448 4.254 30 40 GIEB O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C\c2ccco2)N1c1ccccc1 4160003 WWJBBAVZMXDREP-UXNDANJFSA-N 375.453 4.361 30 40 GIEB Cc1cc(C)c(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)c(C)c1 5863745 YLGNATWOSMXERZ-UHFFFAOYSA-N 392.842 4.224 30 40 GIEB O=C(CO/N=C\c1ccccc1OCc1ccccc1F)Nc1ccccc1 35387266 YQXRPNGZQCOXFB-OYKKKHCWSA-N 378.403 4.394 30 40 GIEB O=C(O)C(C(=O)/C=C/c1ccc(Br)cc1)=C1SCCCS1 62716088 IVBAOMKYGUFXEM-QPJJXVBHSA-N 385.304 4.198 30 40 GIEB CN(C(=O)c1oc2ccccc2c1CSc1ncccn1)C1(C#N)CCC1 65523060 UKCDBJBXLCPPSU-UHFFFAOYSA-N 378.457 4.033 30 40 GIEB COc1cc2c(cc1OC)CN(/C=N/c1sc3c(c1C#N)CCCC3)CC2 100569260 NUYPDAOGXMTYSE-YDZHTSKRSA-N 381.501 4.234 30 40 GIEB CC(C)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 101650655 FQNWMKANXXVQKQ-MLSMKVKPSA-N 381.501 4.400 30 40 GIEB Cc1cc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc([N+](=O)[O-])c1C 408748493 AYIYJIAXMZSRSG-JMIUGGIZSA-N 381.348 4.221 30 40 GIEB CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OCC 408985017 KIYVZKXNTWSQFM-UNOMPAQXSA-N 384.453 4.357 30 40 GIEB COc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(OC)c1 832529 KKQMJNPUOOWWHK-UHFFFAOYSA-N 393.468 4.163 30 40 GIEB N#C[C@@H](c1nc2ccccc2s1)c1cnn(-c2ccccc2)c(=O)c1Cl 3174547 SXGBZAHIGDUQLZ-CYBMUJFWSA-N 378.844 4.151 30 40 GIEB Fc1ccc(Nc2nc(N/N=C/c3ccccc3)nc(N3CCCCC3)n2)cc1 4474689 WLSGCPDSUYBAHT-HZHRSRAPSA-N 391.454 4.191 30 40 GIEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 4626401 TYGSOACVXFGKEH-MGPUTAFESA-N 389.492 4.205 30 40 GIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 8958782 DEPDBSUYHYRXQF-UHFFFAOYSA-N 386.398 4.155 30 40 GIEB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)ccc1Br 10514935 VPBZEJYGPHYCDI-UHFFFAOYSA-N 385.670 4.083 30 40 GIEB C=CCOc1ccc(-c2nonc2NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 12390959 QLKVHSDCQICCME-QGZVFWFLSA-N 397.406 4.237 30 40 GIEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1OC 12861234 MTMFZSBKNUBYQY-JAIQZWGSSA-N 392.363 4.132 30 40 GIEB biogenic C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(C(=O)OC)=C1C 14009527 PQOGUEGRMBCLKQ-AQTBWJFISA-N 394.446 4.092 30 40 GIEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2C)c2ccccc21 16362886 BEXWVHBZQAZDEU-VWLOTQADSA-N 395.462 4.453 30 40 GIEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)c1 18197171 XFWNFIUJYSRAHO-JOCHJYFZSA-N 395.455 4.286 30 40 GIEB C=C(C)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1 25446412 GZJMHZMRKFBVLM-UHFFFAOYSA-N 390.486 4.305 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)cc1 110706241 JWNHTFKORKCHQM-QGOAFFKASA-N 396.472 4.333 30 40 GIEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224873144 AMFAWFQZTMTXLZ-UHFFFAOYSA-N 396.306 4.147 30 40 GIEB CCOc1cc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408731414 MFRFFIWVDXGFCJ-HXUWFJFHSA-N 382.485 4.090 30 40 GIEB CC(C)N(/N=C/c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 408892148 GPRVMAJRNKMRDS-VCHYOVAHSA-N 378.226 4.312 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 2916787 BMSCWYQZMDXLMY-HXUWFJFHSA-N 375.428 4.063 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 3118119 AEOUIQIQRYZIIR-UHFFFAOYSA-N 375.336 4.326 30 40 GIEB CCCC/N=C1/S/C(=C/C(=O)Nc2ccc(F)cc2)C(=O)N1CCCC 4704096 DAXQXAKMTXRFOQ-CCFKZCBPSA-N 377.485 4.180 30 40 GIEB Fc1ccc(Br)cc1/C=N\n1c(S)nnc1-c1ccccc1 4754970 MYAORLQUVBZXFA-NVMNQCDNSA-N 377.242 4.018 30 40 GIEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 5045100 WWMUVBBCAWMQCP-SFHVURJKSA-N 385.485 4.096 30 40 GIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 6621486 AXKJOYICQPZSAJ-IBGZPJMESA-N 396.874 4.170 30 40 GIEB N#Cc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 12871280 PDIVJBRKUDLFIM-UHFFFAOYSA-N 391.862 4.449 30 40 GIEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 18136999 RLWMRMSCQFHJPI-AWEZNQCLSA-N 394.283 4.241 30 40 GIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)CC)C1 19498596 ZBGPNTPEXFKJBQ-RUZDIDTESA-N 390.527 4.217 30 40 GIEB N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 28186009 PAMFUFYECJJUMC-SXGWCWSVSA-N 398.850 4.216 30 40 GIEB CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1cccc(Cl)c1 57878104 OBCRZQDLHZWIGQ-QGZVFWFLSA-N 399.830 4.163 30 40 GIEB COc1cc(N2CCCCC2)c(OC)cc1/C=N/OCc1ccccc1C#N 408596270 QUAHWYUHLIENEF-BUVRLJJBSA-N 379.460 4.116 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1C 2199990 UPRQMBVRWDLOIQ-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB CCOc1ccccc1/C=N/OCC(=O)NCCc1ccc(Cl)cc1Cl 3312349 PQEUIELACUEJKE-FSJBWODESA-N 395.286 4.102 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9253773 GBWRIBJNCGJAQA-QGZVFWFLSA-N 390.468 4.126 30 40 GIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 9316566 JBICXHVGLXVNNF-ZUOKHONESA-N 392.846 4.053 30 40 GIEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(C)n[nH]c1C 15986033 ZMQKOKXHQLSXKB-FRKBGCJLSA-N 397.529 4.187 30 40 GIEB CCN(CC)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 16677851 NNVUKSRBNFSAPE-KQWNVCNZSA-N 386.927 4.048 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1C(F)(F)F 18195840 TXHJHVAEDJFVTF-ZDUSSCGKSA-N 377.366 4.335 30 40 GIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)c1c(O)n[nH]c1N2 18200811 BJIUIXCCFFKENF-BZNIZROVSA-N 381.819 4.320 30 40 GIEB COc1ccc(C2=NC[C@H](CSc3nc(C)c(C(C)=O)cc3C#N)S2)cc1 26043927 VGZLYFHJUBOPIR-QGZVFWFLSA-N 397.525 4.127 30 40 GIEB COc1cc(C(=O)/C=C/c2c(Cl)nc3ccccn23)ccc1OC(F)F 32798346 OODVTOKGVBKYCN-VOTSOKGWSA-N 378.762 4.494 30 40 GIEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 36611511 MSDZZOLFFPHSNE-CIAFOILYSA-N 382.489 4.241 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(OC)cc1 97104936 HCFQXICDECPPPX-FYYLOGMGSA-N 393.483 4.081 30 40 GIEB CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2cccc(C#N)c2)c1=S 97220556 LSSJUDIPAOEWPD-UHFFFAOYSA-N 377.517 4.371 30 40 GIEB O=C1Oc2ccc(Cl)cc2N/C1=C/C(=O)c1ccc(Br)cc1 100820654 CCNFOAIANOOKAX-MDWZMJQESA-N 378.609 4.200 30 40 GIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1 100926356 NHOLDGJSIDSXOK-DHMYTKHGSA-N 398.528 4.232 30 40 GIEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952447 TXTFWYSBQPPVAC-UHFFFAOYSA-N 381.881 4.129 30 40 GIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 245225560 YCUQYENCZVDZRV-MOPGFXCFSA-N 391.515 4.016 30 40 GIEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 585106789 HZZAOLAIRZMWSX-QFIPXVFZSA-N 390.512 4.071 30 40 GIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1531385265 UJEZRELAQJNTHL-YDZHTSKRSA-N 375.815 4.305 30 40 GIEB N#Cc1cc(Sc2nc3ccccc3s2)c(N2CCOCC2)cc1C#N 1087507 WNRGVLQJWBXNJO-UHFFFAOYSA-N 378.482 4.027 30 40 GIEB COc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N/c2ccccc2Cl)NC1=O 4718806 IENDPVBTGWTYFN-OQLLNIDSSA-N 389.820 4.148 30 40 GIEB Cc1cccc2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc12 4849064 SQYJKSWEWNIRIS-UHFFFAOYSA-N 376.437 4.161 30 40 GIEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 8326106 PFVVUJLWJRPDCQ-BDJLRTHQSA-N 385.489 4.126 30 40 GIEB C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 8853018 KJKDFVKWWLLPSE-IBGZPJMESA-N 394.500 4.253 30 40 GIEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 13731223 CVHNAGVLLBCUPG-NHDPSOOVSA-N 388.398 4.189 30 40 GIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)O[C@]2(O)CC(C)(C)CC(=O)[C@@H]12 17173103 NMOVZZLGMACDGB-NHCICSSKSA-N 398.499 4.146 30 40 GIEB COc1cc(C#N)ccc1OCc1csc(-c2cccc(OC)c2OC)n1 18260233 WGUOBOZWVGZEFH-UHFFFAOYSA-N 382.441 4.287 30 40 GIEB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960092 WLTYYEFTVCNFQX-UGSOOPFHSA-N 378.457 4.009 30 40 GIEB C[C@H](/N=C(/S)Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1 25329132 CLGNJYBKBDTBQV-KXBFYZLASA-N 389.952 4.500 30 40 GIEB COC(=O)c1cnc(/N=C(\O)c2sc(Cc3ccc(F)cc3)nc2C)s1 33162468 SUCXTMQJWHCMBY-UHFFFAOYSA-N 391.449 4.061 30 40 GIEB N#Cc1ccccc1CO/N=C/c1ccccc1OCC(=O)Nc1ccccc1 408594601 ITQNUQZAESLGSF-MFKUBSTISA-N 385.423 4.126 30 40 GIEB Cc1sc(NC(=S)NC(=O)c2cccc(Br)c2)c(C#N)c1C 408628737 WTQQPELAWKITGE-UHFFFAOYSA-N 394.319 4.126 30 40 GIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 1104653 OSMFLIOUVJBNNW-WSDLNYQXSA-N 393.399 4.460 30 40 GIEB C=CCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 1245490 OMTQHSTUBRPKGL-UHFFFAOYSA-N 389.238 4.452 30 40 GIEB COc1cc2c(cc1OC)/C(=C/C(=O)c1cc(Cl)cc(Cl)c1)NCC2 5421905 XCDQUFRZXARWOQ-YBEGLDIGSA-N 378.255 4.380 30 40 GIEB COc1cc(OC)c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1Cl 12526840 IECDGDFKLOKFPU-VMPITWQZSA-N 387.863 4.090 30 40 GIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12537509 VEBSZMUQMRHBLY-NRFANRHFSA-N 378.501 4.172 30 40 GIEB C=CCOc1ccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 12996169 UTCQSIJDJOPPSH-CQSZACIVSA-N 379.412 4.170 30 40 GIEB O=C(/C=C(\c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl 13512737 SNLLJDKZURNOIR-LZYBPNLTSA-N 389.198 4.265 30 40 GIEB CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 18137715 ZWAYCVWJWNOSMT-WIQPNEMMSA-N 382.441 4.017 30 40 GIEB Cc1oc(-c2ccccc2)nc1CC(=O)NCCSCc1ccccc1C#N 24865211 QCYYKZVXENIIFY-UHFFFAOYSA-N 391.496 4.114 30 40 GIEB CC(=O)[C@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 36046356 KNONFVJMISTVFL-ACRUOGEOSA-N 375.378 4.081 30 40 GIEB C#CCOc1cc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1OC 36364884 UAGLSUCCVPYTNQ-HNNXBMFYSA-N 397.500 4.278 30 40 GIEB C=CCOc1ccc(CN(C)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 36874525 UVSLRQXSETXTKH-HSZRJFAPSA-N 390.483 4.174 30 40 GIEB Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 57741188 YQDXQABCJVFSIE-QPUJVOFHSA-N 384.789 4.084 30 40 GIEB N#Cc1ccccc1N1CCC(Nc2nccc(Oc3ccc(F)cc3)n2)CC1 79017493 DKHUGXKHNIZXFO-UHFFFAOYSA-N 389.434 4.361 30 40 GIEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 95481013 PFJXGGHDVWNGML-CIAFOILYSA-N 397.459 4.231 30 40 GIEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1 224699416 LVCTXCGDZWMBKX-UHFFFAOYSA-N 381.881 4.047 30 40 GIEB C#CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408937404 JEAOXWUYGBXYJW-LTGZKZEYSA-N 394.430 4.294 30 40 GIEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1O[C@H](C)C(=O)O 409016175 UVCIGWPXXJOEGD-VURRPDKYSA-N 378.222 4.060 30 40 GIEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O 409100306 UHGAULFEVAGHCQ-IFRROFPPSA-N 389.717 4.427 30 40 GIEB CC[C@@H](C)C(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F 2257054 MESJHMGNYRMVJJ-SSDOTTSWSA-N 378.263 4.360 30 40 GIEB O=C(/C=C/c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 4116451 FUQMWHMVNUKFRR-TWLJRWAQSA-N 388.511 4.384 30 40 GIEB CC(=O)S[C@@H]1CC(=O)C=C2CC[C@@H]3[C@@H](CC[C@@]4(C)OC(=O)CC[C@H]34)[C@@]21C 4429073 LKDYVUDIVKQQJE-KGENDAAVSA-N 376.518 4.072 30 40 GIEB CC(C)(C)c1ccc(/C=N/n2cnc3ccc(Br)cc3c2=O)cc1 17682969 JUVAZLGGTHHYLK-SSDVNMTOSA-N 384.277 4.339 30 40 GIEB C=CCOc1c(Cl)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196438 WMIWTOGRWDIEKW-YDZHTSKRSA-N 390.867 4.054 30 40 GIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C(=O)O)cc1 35657221 WZXNRETYCDXBKM-MSYUKONTSA-N 382.441 4.017 30 40 GIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2ccccc2)[nH]c1=O 59251345 UYLFVLIVYSGYHO-UHFFFAOYSA-N 391.430 4.089 30 40 GIEB CCOC(=O)c1c(CC(C)C)csc1/N=C/C1C(=O)CC(C)(C)CC1=O 100772842 DDTSGEAYBAKTKP-UFFVCSGVSA-N 377.506 4.400 30 40 GIEB C=CCNC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257198035 QXSAOOHOEGDCLG-UHFFFAOYSA-N 383.463 4.143 30 40 GIEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 1833881 YMMXLRZVUVLUMQ-GZTJUZNOSA-N 397.477 4.355 30 40 GIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 6922370 IKFGSJBXZAZOFR-LBPRGKRZSA-N 383.542 4.488 30 40 GIEB CN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)C1(C#N)CCCCC1 7359841 NBACBTPKCRINGL-KRWDZBQOSA-N 382.533 4.118 30 40 GIEB N#CCC(=O)Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 7653296 MKGFCCUMPJKEAZ-UHFFFAOYSA-N 397.478 4.491 30 40 GIEB N#Cc1cccc(NC(=O)c2cc(Br)c(Br)s2)c1 13002134 YATMZUYAUIYGAZ-UHFFFAOYSA-N 386.068 4.397 30 40 GIEB CCOC(=O)c1sc(NC(=O)COc2cccc3ccccc23)c(C#N)c1C 14596546 KJOJYNNYWRCIMS-UHFFFAOYSA-N 394.452 4.276 30 40 GIEB C=C(C)Cn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccncc1 16788628 BYQKUPJWAUIGBD-UHFFFAOYSA-N 393.516 4.264 30 40 GIEB C/C(=N\Nc1ccc(F)cc1)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C 22027579 LSHPOJCKWWSMHL-YZSQISJMSA-N 397.473 4.145 30 40 GIEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c(C)c1 35311885 QYQYUKPSIASYBT-UHFFFAOYSA-N 391.452 4.183 30 40 GIEB C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O 96901442 IQWVFAXBJQKUDH-TXCQZRSTSA-N 376.493 4.158 30 40 GIEB biogenic O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(OCC(F)(F)C(F)F)nc1 97001154 UVBYGYNIVBEIEG-UHFFFAOYSA-N 397.250 4.027 30 40 GIEB COc1cc(/C=C2\CCc3cc(OC(C)(C)C(=O)O)ccc3C2=O)cc(OC)c1 98052669 CYLOUECHNWUMSA-CXUHLZMHSA-N 396.439 4.158 30 40 GIEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102491571 XUKJMLFJXCMOIM-LFVOPCPISA-N 377.371 4.041 30 40 GIEB Cc1cc2c(C#N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 208095206 QSULFVRLJOGUSV-UHFFFAOYSA-N 395.466 4.285 30 40 GIEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1O 409218306 TVQYNTRFLGJIRF-GIJQJNRQSA-N 381.213 4.373 30 40 GIEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Br 575362086 AHMOGUBXQPOXDR-UHFFFAOYSA-N 383.057 4.473 30 40 GIEB COc1cc(C#N)cc(I)c1OCc1ccccc1Cl 685866 RCXSAFCOVMKKGI-UHFFFAOYSA-N 399.615 4.404 30 40 GIEB N#Cc1c(/N=C/c2ccc(I)o2)sc2c1CCCC2 1247510 YLJCSDBTFKNVEL-CAOOACKPSA-N 382.226 4.447 30 40 GIEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1CC 6558590 XJBWWMHPRUWPCC-VEGAHXMMSA-N 397.500 4.147 30 40 GIEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC 6613075 RMFICKUZFIFVBU-RUDMXATFSA-N 377.234 4.458 30 40 GIEB C[C@@H]1CCc2c(sc(NC(=O)C[C@H](C(=O)O)c3ccc(F)cc3)c2C#N)C1 12727988 FGOGGVGAZLLZQN-ABAIWWIYSA-N 386.448 4.081 30 40 GIEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccccc1 17145996 STBKEAFJLBFCFD-INIZCTEOSA-N 380.400 4.065 30 40 GIEB N#Cc1ccc(N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)nc1 23995151 GRWVEWZPHAXUPM-UHFFFAOYSA-N 396.494 4.075 30 40 GIEB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(CC#N)cc3)cc2)C1 225690412 ZQVAOYJIEPTJPG-QGZVFWFLSA-N 378.545 4.476 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N1CC 408930469 XLZNIPRKYZOTFC-QTFLQNGUSA-N 384.457 4.265 30 40 GIEB O=C(O)c1ccc(C/N=C/c2cc(Br)c(Br)o2)cc1 408950544 GGZCEPDBUMJGDZ-FRKPEAEDSA-N 387.027 4.122 30 40 GIEB CCc1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 1354516 CTJORKHWMUFGGP-UHFFFAOYSA-N 377.469 4.408 30 40 GIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)C4CCCCC4)CC3)nc2cc1C 1356752 OFDOVXMMDWEOHL-UHFFFAOYSA-N 390.531 4.342 30 40 GIEB CCCCNC(=S)N(C)/N=C/c1cccc(NC(=O)c2ccc(C)cc2)c1 3412977 UCIHLQMHPVBKQB-HZHRSRAPSA-N 382.533 4.188 30 40 GIEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 5155945 KMYJZZYUKPVEBK-DHZHZOJOSA-N 384.284 4.140 30 40 GIEB C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 5214338 GRYHSJNMADRUOA-RSFOSLOZSA-N 375.856 4.033 30 40 GIEB Cc1ccc(S(=O)(=O)N/N=C\C(C)(c2ccccc2)c2ccccc2)cc1 5411877 SXBCYTMAANPTPM-QJOMJCCJSA-N 378.497 4.265 30 40 GIEB COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 8116603 OPRKSFDWPQNZFV-PXLXIMEGSA-N 397.452 4.222 30 40 GIEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 9323455 OBGLBJXFXYCSAZ-YBFXNURJSA-N 387.370 4.050 30 40 GIEB COCCCn1c(SCc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 12092382 SPMBAKNAKFJDSK-UHFFFAOYSA-N 399.903 4.250 30 40 GIEB COc1cc(/C=N/N2C(=O)CS/C2=N\c2ccc(C(C)C)cc2)ccc1O 20353079 WEERBYKHLLSJCS-GRWXYWTESA-N 383.473 4.121 30 40 GIEB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1cccc(C#N)c1 28680227 ZQQJBTGVRQFHDI-GFCCVEGCSA-N 387.534 4.274 30 40 GIEB CCCCCCCCCC(=O)N1C[C@H](c2ccccc2)[C@H](C(=O)OCC)C1=O 100925265 MFXQINILXNOJCK-CTNGQTDRSA-N 387.520 4.459 30 40 GIEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1C 144738680 JOAFXEYWVGYUQC-YDZHTSKRSA-N 381.501 4.109 30 40 GIEB CC(C)(C)[C@H](NCc1cnc2c(C#N)cnn2c1)c1cccc(C(F)(F)F)c1 515384575 HJYHRBJCEQCHOA-QGZVFWFLSA-N 387.409 4.497 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 4119654 GEMSDVYZWVGUAM-CTNGQTDRSA-N 379.412 4.223 30 40 GIEB CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(Cl)cc2s1 4359180 VFZZFNDMJRNPMK-UHFFFAOYSA-N 384.892 4.030 30 40 GIEB CCN(CC)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N 4457565 FGGNXEQHUWGOJJ-UHFFFAOYSA-N 383.561 4.382 30 40 GIEB CCCCOc1ccc(/C(C)=N/NC(=S)NCc2ccc(OC)cc2)cc1 5246103 ZMOLIHSURSORBO-XQNSMLJCSA-N 385.533 4.262 30 40 GIEB CCCCCOc1ccc(/C=N/n2c(S)nnc2CCCC)cc1OC 6067044 KGXJGFJVIUKZPG-XSFVSMFZSA-N 376.526 4.369 30 40 GIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c12 12893348 SXDSBCHRDOYDEF-UHFFFAOYSA-N 384.457 4.002 30 40 GIEB biogenic COc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1O 19682257 BYKIBMZSNQDEBY-ONUIUJJFSA-N 399.494 4.122 30 40 GIEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)CCC/C1=C\c1cc([N+](=O)[O-])ccc1O 20436379 SVFNMALFVQYQRN-QHKWOANTSA-N 396.355 4.134 30 40 GIEB C=CCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 21282943 RWEOEXZQFGYLOV-UHFFFAOYSA-N 388.876 4.372 30 40 GIEB C=CCN(C(=O)C1CCN(C(=O)OCC)CC1)c1nc(-c2ccccc2)cs1 32994588 XOWKMIWHRNMQCX-UHFFFAOYSA-N 399.516 4.198 30 40 GIEB CC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O 33727612 RBGDPVLILJKLTM-VFYZMQMWSA-N 396.472 4.147 30 40 GIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 40266721 OMQVGGPEDAVJDG-JLTOFOAXSA-N 388.427 4.058 30 40 GIEB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(/N=C/c2ccccc2O)cc1 169682469 CKLAPKVEJOKEHE-OAQXXOLNSA-N 382.504 4.145 30 40 GIEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Cl)c1 408891505 ROKGKGVMADPLQY-SSDVNMTOSA-N 396.790 4.308 30 40 GIEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408954721 UUOIJKGKZOOICI-RGEXLXHISA-N 375.453 4.378 30 40 GIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)o2)cc1Cl 409142879 DHEWVLHDHUJIQE-DPQRXVJKSA-N 394.858 4.440 30 40 GIEB N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](Cc1ccccc1)c1ncco1 594248366 NTJDQTKUWGTOTC-LEWJYISDSA-N 386.455 4.207 30 40 GIEB Cc1ccc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)cc1 3107002 VRCFTTWGOHSBRP-LBPRGKRZSA-N 381.194 4.128 30 40 GIEB Cc1sc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c(C#N)c1C 4811807 FGEHNMJNJZGGRK-LSFURLLWSA-N 394.460 4.393 30 40 GIEB Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4945118 ITJBKYRJVLKYES-LRTDBIEQSA-N 385.427 4.077 30 40 GIEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1 5323814 QWERSAGBOIHMAR-HTAPYJJXSA-N 386.455 4.093 30 40 GIEB C=CCn1c(SCC(=O)O)nnc1[C@H](C)Oc1ccc(-c2ccccc2)cc1 26468984 BBVLYJZPBAKGSI-HNNXBMFYSA-N 395.484 4.448 30 40 GIEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 33497778 ZETOTCQCGJTXCN-NHDPSOOVSA-N 376.840 4.045 30 40 GIEB Cc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1 35289044 WPLUUPGUNXFCNS-UHFFFAOYSA-N 376.437 4.161 30 40 GIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 96346447 UZYYCMIAZOEUJL-NHCUHLMSSA-N 384.483 4.140 30 40 GIEB O=C1C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)c2ccccc21 100946693 BTJPKPMCJZVIFM-UHFFFAOYSA-N 377.381 4.093 30 40 GIEB COc1cc(/C=N/Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409006026 HBSWGLYSGVFWGK-BUVRLJJBSA-N 389.455 4.467 30 40 GIEB O=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])o2)ccc1Cl 409097967 JRLPBWXFQDCYPW-OCKHKDLRSA-N 387.739 4.257 30 40 GIEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O 409338274 GYYKEDOXSATWPC-LCYFTJDESA-N 384.320 4.235 30 40 GIEB O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(-c3ccccc3Cl)nc1N2 944333 GGEJGLLYYKSFJO-LJQANCHMSA-N 392.846 4.326 30 40 GIEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 3245683 RHLUKEBEHUAFER-PXLXIMEGSA-N 380.469 4.408 30 40 GIEB N#Cc1cn(CC(=O)N2CCCc3ccccc32)c2ccc(Br)cc12 4608345 AHGAHWMMAZYYLL-UHFFFAOYSA-N 394.272 4.255 30 40 GIEB N#CCCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(-c2cccs2)n1 5000347 DQZXVEWLQYQZKQ-UHFFFAOYSA-N 399.859 4.218 30 40 GIEB C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(F)cc1 6478625 CHGMIUYGNPOINN-UHFFFAOYSA-N 396.491 4.134 30 40 GIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 6720105 BGABIROZKWKFMT-LJQANCHMSA-N 399.874 4.263 30 40 GIEB COC(=O)c1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)cc1 8564839 SJHVIOZFDNDZJU-UIEPMZJASA-N 391.452 4.188 30 40 GIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccs2)cc1 12408746 QYPXXAOEEYUZGU-KPZWWZAWSA-N 394.456 4.119 30 40 GIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2)cc1 16741476 NQBBTTKQLYFSBC-HXUWFJFHSA-N 377.440 4.240 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 17145507 BBQLSIYXOSWGQM-HXUWFJFHSA-N 389.382 4.314 30 40 GIEB Cc1nc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)sc1-c1ccccn1 23501146 YRFAGJHHZVPUQR-UHFFFAOYSA-N 389.440 4.330 30 40 GIEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1 33653544 VDONTRLNHDDLOE-IWIPYMOSSA-N 390.439 4.263 30 40 GIEB O/C(=N\c1nncn1-c1ccccc1)c1cc(Br)ccc1Cl 95456429 MCRAASOBAUQOGI-UHFFFAOYSA-N 377.629 4.320 30 40 GIEB C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 101025074 JLESWLOOTYWNIB-FGLUDEAJSA-N 386.423 4.355 30 40 GIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccco2)sc1C 102798784 KQWHWYNCKWVMKR-UYTDBDHRSA-N 398.415 4.118 30 40 GIEB C[C@@H]1CCC[C@@H]1/C(=N\S(=O)(=O)c1cccc2cccnc12)N1CCCCC1 104094530 FXDROURZMAFNBJ-AIAXDNRQSA-N 385.533 4.244 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 104214642 BJCXXXANOUZDJN-HVESIFNPSA-N 394.427 4.217 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCC#N 408991248 PXKCOVCMXMUDPV-UYRXBGFRSA-N 393.468 4.188 30 40 GIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccccc1C 409052346 CTBLIOFLRXHSKQ-SRZZPIQSSA-N 381.457 4.434 30 40 GIEB N#Cc1ccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 2634900 VXPKDMJGMYICRB-UHFFFAOYSA-N 383.618 4.314 30 40 GIEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1occc1C 3297391 JGRCEDQGOFAKMN-UHFFFAOYSA-N 378.457 4.489 30 40 GIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 4293172 QVKWDKPHEMCSMJ-XXBRTLJISA-N 392.371 4.053 30 40 GIEB Cc1ccc(NC(=O)CN2C(=O)/C(=N\Nc3ccccc3C)c3ccccc32)cc1 4611077 BREJGDMADOXOAL-VYIQYICTSA-N 398.466 4.105 30 40 GIEB O=C1C=C/C(=N\S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C=C1Cl 5555503 LZEMYTBMFUCTFE-UBKPWBPPSA-N 385.055 4.038 30 40 GIEB CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)/C=C/c2ccc(OC)cc2)=C1C 6604177 DHFIWBXXWMQOFD-GLBTYYSXSA-N 376.456 4.338 30 40 GIEB O=C1/C(=C/c2cc(Br)cc([N+](=O)[O-])c2O)Sc2ccccc21 12377206 FPHJFSFYBNFBIG-MLPAPPSSSA-N 378.203 4.392 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(F)c1 15276422 OWSSRTRWFKPOJJ-CCMJGWDWSA-N 380.419 4.057 30 40 GIEB Oc1c(Cl)cc(Cl)cc1/C=N\NC(=S)N[C@H]1CCc2ccccc21 16919402 VUSKLHYALKQAMN-CIYLQVQQSA-N 380.300 4.185 30 40 GIEB C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)CC)C1 19498595 ZBGPNTPEXFKJBQ-VWLOTQADSA-N 390.527 4.217 30 40 GIEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCN1CCOCC1 20000529 CCXNJKDWXBGWQU-UHFFFAOYSA-N 393.434 4.063 30 40 GIEB CC[C@@H](C)/N=C(\C)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 95108938 GISAQIXBQRRWCH-OTCZBXRXSA-N 382.411 4.402 30 40 GIEB C=CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N/c1ccccc1 97020903 HXWCQHLFTMHMON-KIOXBDSISA-N 380.469 4.494 30 40 GIEB CC[N+]1(C)CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)/C=C/c2ccccc2)C1 104274315 ZHAKLYFQWBJDPB-SNHPTFSESA-N 376.520 4.200 30 40 GIEB CCCCC[C@@H](CC)N(CNC(=O)CC)c1nc2ccccc2nc1CC#N 3197458 VDIMCKVRZIIMGE-QGZVFWFLSA-N 381.524 4.345 30 40 GIEB C=CCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 5878294 PFANIINQHQIIBK-CHWSQXEVSA-N 376.547 4.040 30 40 GIEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8232277 GZOMCULZVGVNMJ-UHFFFAOYSA-N 381.435 4.370 30 40 GIEB C=CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 8554724 CIDRYPOZZIVMKU-UHFFFAOYSA-N 379.197 4.108 30 40 GIEB C=C(C)COc1cccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1 12344852 JWCPJKHZCGHRQB-UHFFFAOYSA-N 396.506 4.408 30 40 GIEB N#Cc1cccc(COc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 32291825 QDCYSSSUFDXDCW-UHFFFAOYSA-N 387.395 4.227 30 40 GIEB O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59678421 BARDDHGFTNGNFU-RQZCQDPDSA-N 380.198 4.007 30 40 GIEB Cc1cc(/C=N/n2cnnc2)cc(C)c1OCc1ccc(Br)cc1 408852830 JBGWDVSAJSHMMF-LSFURLLWSA-N 385.265 4.119 30 40 GIEB CC(C)(C)Oc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407189 LPWMIHNJQVIGOP-SNHGZMDHSA-N 388.467 4.158 30 40 GIEB CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(OC(F)(F)F)c(C)c2)n1 599724695 NDZOSCCONMURKV-NSHDSACASA-N 398.362 4.017 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C#N)c1C 996644 USHRAQSTNWRPEY-CVEARBPZSA-N 381.501 4.152 30 40 GIEB COc1ccc(-c2cs/c(=N/N=C/c3ccccc3Cl)n2C(C)=O)cc1 4476704 RQKGRPJOMHSTKG-KCIZYKSUSA-N 385.876 4.474 30 40 GIEB CCOC(=O)c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 4519742 OKAHKFQRSAXIQN-UFWORHAWSA-N 398.202 4.230 30 40 GIEB CC(=O)c1ccc(OCc2ccc(C#N)cc2)c(CSc2ncccn2)c1 6905805 ATTHKAQQVUEDJF-UHFFFAOYSA-N 375.453 4.422 30 40 GIEB O=C(C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O)c1ccccc1 32984127 NZUDKAMAPTZAOS-UHFFFAOYSA-N 379.412 4.475 30 40 GIEB Cc1c(C(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)oc2c1C(=O)CCC2 40133318 GKBWDXSTPUUXLC-UHFFFAOYSA-N 391.452 4.278 30 40 GIEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1CC 102420423 XJBWWMHPRUWPCC-UGNPLGLKSA-N 397.500 4.147 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225350190 IMFIIJIYQOBRBU-UHFFFAOYSA-N 377.271 4.481 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2sc(C)cc2c1=O 641577 RPJTXFPUANVJCG-UHFFFAOYSA-N 399.541 4.300 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C)cc1 2448430 KZSYYSHRBPQMOH-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OCC 3667631 ZNOUVUBSLKQYEC-LGMDPLHJSA-N 386.517 4.040 30 40 GIEB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2s1 4385369 VCHQJMHFWRHVDE-UHFFFAOYSA-N 382.420 4.298 30 40 GIEB C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 4618164 NSBRKSWSLRQPJW-FHTPNYMGSA-N 396.487 4.354 30 40 GIEB biogenic COc1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1OC 6230871 OWESKPMWQMDQHF-DJKKODMXSA-N 384.288 4.331 30 40 GIEB CCSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 6677839 WIWAZQPWBVYDOO-GOSISDBHSA-N 397.548 4.114 30 40 GIEB N#Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)sc2c1CCC2 7880022 NBOZDFMNLKNJMT-IBGZPJMESA-N 383.542 4.118 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)no1 8744079 TZCGCHWXLVDELK-LJQANCHMSA-N 392.411 4.482 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1Br 18200383 WCJRISAHUZOMQF-CYBMUJFWSA-N 388.265 4.078 30 40 GIEB CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 20191121 SMDDHFTUQRDLKR-XIEYBQDHSA-N 378.564 4.301 30 40 GIEB O=C(Nc1cccc(Br)c1)/C(O)=C/C(=O)c1ccc(Cl)cc1 100252145 XVBMUSVDSOUATD-DHDCSXOGSA-N 380.625 4.366 30 40 GIEB COc1ccc(/C=C2/SC(N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)=NC2=O)cc1 100491108 HFZAWWOBQBBLGO-LFEAPLHZSA-N 383.517 4.457 30 40 GIEB C=C(C)[C@@H]1CC=C([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 105366929 LOISBJJFWMKRLS-JZCCTDPDSA-N 376.460 4.125 30 40 GIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 4919114 OZYVBXCNNLPACD-RBBKRZOGSA-N 380.440 4.023 30 40 GIEB CCN(CC)[P+](CNC(=O)c1ccccc1)(N(CC)CC)N(CC)CC 5002760 BYZNSUMLPWXNCR-UHFFFAOYSA-O 381.525 4.162 30 40 GIEB O=C1C/C(=N/N=c2/[nH]c(-c3ccc(Br)cc3)cs2)c2ccccc21 5242921 NDGNQDUVPALVED-QNGOZBTKSA-N 398.285 4.397 30 40 GIEB CCn1c(SCc2ccccc2C#N)nnc1-c1cccc(NC(C)=O)c1 7604793 ZTAWWOSHOFKBCT-UHFFFAOYSA-N 377.473 4.087 30 40 GIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 9009363 KTJJQAGRYFRIMV-GOSISDBHSA-N 394.814 4.107 30 40 GIEB COc1ccc2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)ccc2c1 10707755 IEXLNSWRSAFGMT-UHFFFAOYSA-N 399.494 4.068 30 40 GIEB N=C1N(/N=C\c2ccccn2)/C(=N\c2ccccc2)C(=S)N1c1ccccc1 17255851 IWAGBPSMUGVYPU-GJWAYITMSA-N 384.468 4.230 30 40 GIEB COCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccccc1 100280150 FDTBXEWJEYBGOT-HATACVMWSA-N 388.876 4.296 30 40 GIEB Cc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCCCO4)cc1 101367082 XCFCCNKGCZOUDL-UHFFFAOYSA-N 383.451 4.199 30 40 GIEB CC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 138694114 XYKNCEGWFFYRNO-UHFFFAOYSA-N 388.148 4.034 30 40 GIEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936421 JDOQNNMDYOYPHK-UHFFFAOYSA-N 381.284 4.441 30 40 GIEB CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(OCC)c1 409035708 QBXPFKRHZZKRPS-UYOCIXKTSA-N 376.272 4.198 30 40 GIEB CCOC1(OCC)[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)C1(OCC)OCC 721491 IYANXZHYUMRWIC-KRWDZBQOSA-N 392.883 4.009 30 40 GIEB COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2cccnc2Cl)o1 2555929 IZYLMKCAOFDXOK-AWQFTUOYSA-N 390.804 4.034 30 40 GIEB CCc1sc2nc(S[C@H](C)C#N)n(-c3cccc(OC)c3)c(=O)c2c1C 3412415 BNBDRSHEUUFWOE-LLVKDONJSA-N 385.514 4.331 30 40 GIEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccccn1 5741134 HYIOHJVVNHQAGK-HZHRSRAPSA-N 382.431 4.200 30 40 GIEB N#Cc1c(SCc2ccc(F)cc2)nc(N2CCOCC2)c2c1CCCC2 20573687 DZXOXKFIFCQSEF-UHFFFAOYSA-N 383.492 4.100 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1 36395882 YNNONOWBTSQJGB-UHFFFAOYSA-N 398.260 4.099 30 40 GIEB N#Cc1c(F)cccc1NCCNC(=O)Nc1ccccc1SC(F)F 47749845 MZAMJGOUWSIZKQ-UHFFFAOYSA-N 380.395 4.246 30 40 GIEB CC(C)c1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1 95469539 VQNGROYUYJHQIH-UHFFFAOYSA-N 387.468 4.044 30 40 GIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102649825 OVKWOZBAGBWLBT-JBCNATCCSA-N 384.435 4.012 30 40 GIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2302240 PWYKYYKWSXQUKQ-UHFFFAOYSA-N 395.466 4.340 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OCC 6439898 XKQNSZIMMVWSRG-NZQKXSOJSA-N 394.467 4.413 30 40 GIEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](OC(C)=O)CC[C@@H]4[C@@H]3[C@@]3(C)O[C@@]23C1 6614767 WWRTWBNTOJMLIU-VUQHHPNVSA-N 390.520 4.024 30 40 GIEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 7779858 IQBOTFHYIKOVDV-VZUCSPMQSA-N 381.388 4.389 30 40 GIEB COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2)c1 17025359 XITUKVJFSWQJTJ-UHFFFAOYSA-O 377.489 4.342 30 40 GIEB CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21 21039705 DXPDOUCPZSPOFI-UHFFFAOYSA-N 381.435 4.387 30 40 GIEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)cc1 22625631 IAZJBIOZXLPWAU-STZFKDTASA-N 379.456 4.393 30 40 GIEB biogenic COc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 968850 GZXUHORNXPZWBJ-UHFFFAOYSA-N 389.480 4.037 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1F 4919781 AOJZKMAORMLFPH-VGOFRKELSA-N 398.430 4.162 30 40 GIEB N#Cc1c(-c2cccs2)c(C(=O)c2cccs2)c(C(F)(F)F)[nH]c1=O 6589217 NWEBDGQUDHKFQV-UHFFFAOYSA-N 380.372 4.286 30 40 GIEB C=CCn1c(SCc2nccn2C(F)F)nc2sc3c(c2c1=O)CCC3 8778768 OOXPZDTXRWEIJH-UHFFFAOYSA-N 394.472 4.017 30 40 GIEB CCOc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)cc1 18222908 DGFNINKVQYPVOP-UHFFFAOYSA-N 384.483 4.159 30 40 GIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 20503233 QMUZOFAKTHOVFF-OAQYLSRUSA-N 395.528 4.111 30 40 GIEB C=CCSc1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1 21586077 GNCBYCAYJKCATG-UHFFFAOYSA-N 389.424 4.147 30 40 GIEB C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(CC2CC2)CC1 257236509 HCMUPWPSPLPAEK-UHFFFAOYSA-N 389.543 4.086 30 40 GIEB CCOc1cccc2c1C(=O)c1cccc(OCC)c1[C@]2(O)C#Cc1ccccc1 2028132 ZGWAOYYZEBJPFW-SANMLTNESA-N 398.458 4.316 30 40 GIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 2055502 VZSREQDJJQVHBC-HXUWFJFHSA-N 383.488 4.252 30 40 GIEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 3411932 VXWBQRJRDHFYPT-UHFFFAOYSA-N 382.725 4.026 30 40 GIEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4537828 ZPTTUFVORSZZFO-WXLIAARGSA-N 390.495 4.357 30 40 GIEB biogenic,in-vitro CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4708291 YOCZJRFTEUKZJH-NJDAHSKKSA-N 382.467 4.098 30 40 GIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4)nc13)O2 5349934 WZIMQTVFTLWXOY-LJQANCHMSA-N 394.434 4.323 30 40 GIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(C)cc1 5478059 ODPHTLOVMHPELQ-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB N#Cc1cccc(Oc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)c1C#N 6225129 PUAZNEBPCDNAJA-UHFFFAOYSA-N 399.362 4.487 30 40 GIEB CN1C(=O)[C@H](Cc2ccccc2)S/C1=N/c1ccc(Br)cc1 8091954 SJVGLCHLDDIPJR-UHHPSXQGSA-N 375.291 4.253 30 40 GIEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1c(Cl)cccc1Cl 9195038 DPDZZJZQPMDMBV-KEBDBYFISA-N 378.215 4.037 30 40 GIEB CN1/C(=C\C(=O)COC(=O)c2cc3c(s2)CCC3)C(C)(C)c2ccccc21 32911120 CJFRUJYMZLBGPL-NDENLUEZSA-N 381.497 4.274 30 40 GIEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 98064190 WURLKLSPCJILGB-APSNUPSMSA-N 380.154 4.030 30 40 GIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cc1 528955903 RZLBLCPJACSFCE-IVZQSRNASA-N 393.443 4.048 30 40 GIEB CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 2475495 COVBOGNHAVXIFG-VGLIXDPASA-N 391.855 4.069 30 40 GIEB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C#N)cc1 3262852 XBGQRVUMJHVUKF-UHFFFAOYSA-N 396.859 4.302 30 40 GIEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1 4944952 NFPJMQIEEJKWJD-SFHVURJKSA-N 395.430 4.371 30 40 GIEB O=C1N/C(=N\N=C\[C@@H]2CC=CCC2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5157011 DCLVSAKJMCKMTK-FSISVJFTSA-N 395.500 4.474 30 40 GIEB CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccccc2)n1 19820776 DJOSQFMYMQFNTP-UHFFFAOYSA-N 376.441 4.078 30 40 GIEB CCSc1nncn1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611351 YFQVZIOGKXFNAC-AWQFTUOYSA-N 376.869 4.406 30 40 GIEB CC[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 138178029 XHWQPGMAHKBRBX-NCCMNSNASA-N 384.392 4.135 30 40 GIEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1 409068800 WAQLLLZSTYFSCB-LPYMAVHISA-N 378.388 4.023 30 40 GIEB CCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 5950718 IWVDMFZRILIPFS-GIJQJNRQSA-N 392.209 4.162 30 40 GIEB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19960136 BIZNIRPTFDDRCE-KPZWWZAWSA-N 396.447 4.148 30 40 GIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3cccc(OC)c3)c2)c1 32905880 CCSCDECWQKWANT-UHFFFAOYSA-N 399.446 4.063 30 40 GIEB CN(C)c1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 33396074 UODQZFLIFGJBOU-UUYOSTAYSA-N 390.468 4.429 30 40 GIEB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1 84625248 OYDQHLGEYHPGSU-HNNXBMFYSA-N 393.512 4.223 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102649826 OVKWOZBAGBWLBT-MRJHHRETSA-N 384.435 4.012 30 40 GIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 219781163 VJYGNOVBYDMAJA-UHFFFAOYSA-N 390.439 4.417 30 40 GIEB CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1OC 409401521 DBCKSEUTXMCJFK-UHFFFAOYSA-N 399.450 4.353 30 40 GIEB COc1ccccc1N(C)C1=N/C(=[N+](/C)c2ccccc2OC)c2ccccc21 3186824 DNZGVAIEPCWJIL-UHFFFAOYSA-N 386.475 4.321 30 40 GIEB C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cs1 5040237 RWJIGPNFJHABBC-UHFFFAOYSA-N 390.848 4.166 30 40 GIEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 5885007 HTLKPQAJZOWOSZ-UHFFFAOYSA-N 378.409 4.208 30 40 GIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 6001994 ONCZAQUNACZYGJ-HNNXBMFYSA-N 381.501 4.083 30 40 GIEB N#Cc1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1 7071831 QJZLHBRBLNOMNV-UHFFFAOYSA-N 375.501 4.422 30 40 GIEB Cc1ccc(C2=NN(C(=O)CNc3ccccc3C#N)[C@H](c3ccco3)C2)cc1 7975602 GTSWINFZYQRYJK-NRFANRHFSA-N 384.439 4.250 30 40 GIEB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 12533334 YMDAJHZBDIWIPH-IRXDYDNUSA-N 383.517 4.122 30 40 GIEB O=[N+]([O-])c1cccc(/C=N\c2nc3ccccc3n2CCN2CCCCC2)c1 17186190 XJSOZXHILNGFNO-JWGURIENSA-N 377.448 4.181 30 40 GIEB CC[C@H](C)c1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 17945741 SMVILGAUYCTKEA-YVEFUNNKSA-N 398.466 4.031 30 40 GIEB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NC1(C#N)CCCCC1 22117836 QKMWSNSXHKILBB-ZDUSSCGKSA-N 393.582 4.106 30 40 GIEB CC[C@@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 97950216 KJKRNEOSUNTBHY-VIFPVBQESA-N 396.303 4.497 30 40 GIEB C/N=C1/S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C(=O)N1C 101514217 WTYITEYMVJJKFK-DOGHIQQUSA-N 382.485 4.115 30 40 GIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340301 NKKQDMJIGZCSDW-UHFFFAOYSA-N 379.637 4.472 30 40 GIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)SC1=S 408815964 JZPXDNXEBDCBPX-BOPFTXTBSA-N 399.493 4.429 30 40 GIEB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 409243858 VJAVMQYTAXFDIT-PXLXIMEGSA-N 396.446 4.253 30 40 GIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O1 2646957 XUMWQERUWBIJDL-PXPSOEEZSA-N 391.206 4.482 30 40 GIEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 4150311 BFQWNIUQIKDHKC-MRXNPFEDSA-N 397.500 4.150 30 40 GIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1F 4406235 BMWNXJGSLDSXRS-ZQBYOIRZSA-N 380.419 4.057 30 40 GIEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 6610055 BSVZXIMPEGQXJP-LPYMAVHISA-N 387.399 4.496 30 40 GIEB N#Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 7035963 FBJRXZAPIYVTLY-UHFFFAOYSA-N 390.826 4.460 30 40 GIEB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1/N=C/c1ccc(Cl)cc1 8215004 PANFSXHNSXFRHW-BUVRLJJBSA-N 389.842 4.170 30 40 GIEB N#C[C@H](CN1CCN(c2ccccc2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 12526612 JUHWVWNAMAJLHY-RSXGOPAZSA-N 397.522 4.349 30 40 GIEB C[C@@H](Nc1ccc(CC#N)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12789990 NATKTEJPTUFVBO-CQSZACIVSA-N 378.501 4.394 30 40 GIEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)CC1 20504027 WUVOOJNXHQTYTD-NDENLUEZSA-N 394.427 4.149 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C#N)c1C 996642 USHRAQSTNWRPEY-HOTGVXAUSA-N 381.501 4.152 30 40 GIEB CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 2335311 WNARUGMAYFDEBN-SFHVURJKSA-N 393.535 4.312 30 40 GIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1 2453114 OZUUPRBUZYUQDG-UHFFFAOYSA-N 394.500 4.179 30 40 GIEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 5022892 ANBSJJZDGGEZMS-JLPGSUDCSA-N 394.456 4.176 30 40 GIEB CC1=CC(=O)[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5427039 HIQLOIOGTRDMIW-OITMPTDNSA-N 396.483 4.120 30 40 GIEB endogenous,in-man CCOc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)ccc1O 5551280 XOLKKMIEZZZQTI-PXNMLYILSA-N 392.839 4.475 30 40 GIEB C=CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1CCOC 5571040 XYRQYRAPPANPEQ-UHFFFAOYSA-N 376.478 4.189 30 40 GIEB N#Cc1ccccc1Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 5589436 MWCKNBCIKNGDDP-ROTLSHHCSA-N 396.410 4.310 30 40 GIEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1C 6085144 UTOGRXDSFPGABK-BQYQJAHWSA-N 391.851 4.375 30 40 GIEB CCN(CC)CCO/N=C1/C[C@@H](c2ccc(OC)c(OC)c2)Oc2ccccc21 16941751 OZKALSSMVORYTB-JPVAHNOFSA-N 398.503 4.290 30 40 GIEB CCCC/N=C1\S[C@@H](CC(=O)Nc2cccc(C)c2)C(=O)N1CCCC 17085127 FMRKITCNFPTLFO-UNEBPCJRSA-N 375.538 4.224 30 40 GIEB CCc1ccc2nc(NCCCNC(=O)c3ccc(F)cc3F)c(C#N)cc2c1 35311723 DXKQMFUJSVIHNW-UHFFFAOYSA-N 394.425 4.179 30 40 GIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(OC)c3)S2)cc1 110705916 RTZSPYOJNIGZRF-CPNJWEJPSA-N 397.500 4.139 30 40 GIEB C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 226344073 UIIUTKYFTWAYTN-UHFFFAOYSA-N 389.636 4.436 30 40 GIEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 409060628 VOWISDMQNQUKRB-UXTWZOPHSA-N 391.452 4.490 30 40 GIEB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C2=O)c1 409246422 IEPXKLUYWPHSDR-UDWIEESQSA-N 383.407 4.220 30 40 GIEB Cc1ccc(Cn2cc(/C=N/N3C(=O)CSC3=S)c3ccccc32)cc1 409333564 UOYSMIGALFJMBS-UFFVCSGVSA-N 379.510 4.192 30 40 GIEB Cc1cccc2c(=NC[C@@H]3CCCN(Cc4cccs4)C3)c(C#N)c[nH]c12 610274809 HDUWPXCGTDYCFF-KRWDZBQOSA-N 376.529 4.222 30 40 GIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 4312984 WLZMRWRDLNRVKO-UHFFFAOYSA-N 381.439 4.086 30 40 GIEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OC)c1OCc1ccc(C)cc1 6154269 HPPDTCZJARXQGF-ZVHZXABRSA-N 397.544 4.129 30 40 GIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)no1 6412876 CBEDLAYJQPOKGN-GOSISDBHSA-N 396.349 4.044 30 40 GIEB O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 6424065 UEHNOJBYERIRME-NHFXJNLRSA-N 399.402 4.011 30 40 GIEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(Cl)cc1 19959757 RHUSPIPCFNTWJU-RMLUDKJBSA-N 382.773 4.218 30 40 GIEB C=CCSCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 95385783 VOLWJAYWSKCZJE-UHFFFAOYSA-N 395.450 4.418 30 40 GIEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 96346668 VCFQBHMMOZGFNF-VQTJNVASSA-N 388.446 4.283 30 40 GIEB O=C1C(=O)N(c2ccc(O)cc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102799725 QRFPOYGDTLILPP-YDJIHCHBSA-N 389.382 4.158 30 40 GIEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778448 ZFQHXZPCSVZFFU-UHFFFAOYSA-N 380.853 4.246 30 40 GIEB CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCC#N 408884100 SQJITMFZRMLQNS-PDGQHHTCSA-N 397.431 4.018 30 40 GIEB Cc1ccccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409305122 LXLYJGJQBRXWKL-UHFFFAOYSA-N 384.277 4.473 30 40 GIEB CNc1nc(N/N=C/c2cccc(Cl)c2Cl)nc(Nc2ccccc2)n1 4619104 VFOWWXPQLIHDIJ-UFFVCSGVSA-N 388.262 4.410 30 40 GIEB Cc1nc(SCC(=O)Nc2ccc(CN3CCCC3)cc2)c(C#N)c(C)c1C 8707722 ZPYGBBLTZAPJPZ-UHFFFAOYSA-N 394.544 4.205 30 40 GIEB Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n(-c2ccccc2)n1 12516855 VZXLDPPGTKXWEQ-UHFFFAOYSA-N 391.500 4.103 30 40 GIEB N#Cc1c(-c2ccccc2)nn2c1N=N[C@H]2c1cc(-c2ccco2)nc(S)n1 16491825 ZEBVCFKCTBHEQR-GOSISDBHSA-N 385.412 4.405 30 40 GIEB Cc1cc(Br)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 22388268 KVZNLWGJAHJOMU-CIAFOILYSA-N 389.293 4.046 30 40 GIEB C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1OC 41076801 NDQUXYGUKGFINI-LBPRGKRZSA-N 382.485 4.350 30 40 GIEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408801702 VGKSREPLCBQGFK-QRVIBDJDSA-N 378.428 4.042 30 40 GIEB O=S(=O)(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1 3575074 ZFSPIZNXYGLUOU-PXLXIMEGSA-N 375.453 4.147 30 40 GIEB Cc1cc(C)c(C#N)c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)n1 5642207 NLHPEOMWOBWRIO-KRWDZBQOSA-N 383.517 4.142 30 40 GIEB CCOc1c(I)cc(/C=N/c2ccccc2)cc1OC 6958184 CSTGJPBQJCMDDU-WOJGMQOQSA-N 381.213 4.449 30 40 GIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2)cc1 12390008 PWVOBNSEFYTWPE-FOIQADDNSA-N 388.427 4.058 30 40 GIEB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1 12886710 CONDYBSSVWIGMO-UHFFFAOYSA-N 398.509 4.019 30 40 GIEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 13546605 MGONLYRRLCKDDT-PDGQHHTCSA-N 396.424 4.396 30 40 GIEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 16994546 PYQOUYVOMQZWBG-MRXNPFEDSA-N 379.455 4.371 30 40 GIEB C=C(C)CSc1nnc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104199237 BEYGDVCHUMESAC-XUXIUFHCSA-N 383.608 4.239 30 40 GIEB Cc1nc(C(=O)N(C)c2cc(Cl)ccc2C#N)nn1-c1ccc(Cl)cc1 176424798 FUJBEUCMIBWRKL-UHFFFAOYSA-N 386.242 4.031 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC#N)c(Br)c1 408902968 SUBIGQQQPPQPQJ-LFIBNONCSA-N 396.244 4.158 30 40 GIEB C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 12552172 UMKGQWKBZKOSOL-FQTAANOTSA-N 391.446 4.043 30 40 GIEB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CCC#N)CCC#N)cc1 16923373 NIOCVDBIZTZFCE-XLNRJJMWSA-N 383.455 4.126 30 40 GIEB CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21721939 APOLPDHNHHMFCH-QHCPKHFHSA-N 393.487 4.032 30 40 GIEB CC(=O)c1cc(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)nc1C 29390623 ZQJXTAGREIAUHJ-UHFFFAOYSA-N 384.848 4.460 30 40 GIEB C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 48242794 KBAAWUDHYCOUQP-AWEZNQCLSA-N 386.411 4.098 30 40 GIEB N#CCCN(C(=O)CN1CCC[C@H]1CCc1ccccc1)c1ccccc1F 48289781 RDCNHPUBJUHKEV-FQEVSTJZSA-N 379.479 4.170 30 40 GIEB Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 57741179 YQDXQABCJVFSIE-UFBFGSQYSA-N 384.789 4.084 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)ccc1OC 97104878 AJMBZEDJAUXCQF-SIKLNZKXSA-N 398.430 4.162 30 40 GIEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 224723795 GJZSYFGMIAAXRZ-UHFFFAOYSA-N 380.307 4.447 30 40 GIEB Cc1cccc(C)c1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409355513 CYKPRTZLEJNQKB-UHFFFAOYSA-N 386.455 4.009 30 40 GIEB Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1C 662248 JEPRITQLTIPOTQ-WXVFVKJXSA-N 385.464 4.033 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1c1ccccc1 1079965 IMFKAJVJQYZBAB-RXVVDRJESA-N 394.427 4.135 30 40 GIEB COc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 1354552 GBKRLYCGRXGXSR-UHFFFAOYSA-N 377.469 4.463 30 40 GIEB C[C@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(Cl)cc1Cl 3319905 ZAEIXMMFNCMEDI-LVCXCXRVSA-N 379.287 4.481 30 40 GIEB CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O 4888937 KVHDHLDKXPQPLZ-NSJLDRRZSA-N 387.530 4.391 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 4919123 OZYVBXCNNLPACD-UNMCSNQZSA-N 380.440 4.023 30 40 GIEB C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@]1(C)CC[C@H](C(C)(C)O)O[C@@H]1C3 5663192 KQYZOQQWBTXSDF-YOSAUDMPSA-N 398.499 4.269 30 40 GIEB biogenic C=CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccccc2)cs1 12904547 QCGRXXRMCGCKHI-LJQANCHMSA-N 390.464 4.111 30 40 GIEB O=[N+]([O-])c1ccc(O)c(/C=N/N=C2/c3ccccc3-c3nc4ccccc4nc32)c1 59488022 QYDFLWSTCNCMKD-MEMCAEINSA-N 395.378 4.096 30 40 GIEB C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccc(OC)cc2)c(O)c1 96298241 DCWVJNHRWVAOOD-UHFFFAOYSA-N 379.416 4.187 30 40 GIEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)Nc2ccc(Cl)cc2)cc1 225861229 DPFHRRIVNPNESU-UHFFFAOYSA-N 378.863 4.133 30 40 GIEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC)CC1 257225199 FFGWUWNPYGRJKB-UHFFFAOYSA-N 390.527 4.217 30 40 GIEB CC1(C)Cc2ccccc2/C(=N/c2ccc(I)cc2)N1 1439838 JYNSLTQHYADFCX-UHFFFAOYSA-N 376.241 4.294 30 40 GIEB CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccc(OC)cc2)c(C)c1)C(F)(F)F 2306192 TXAJHURMADEUOZ-OGBFJMLUSA-N 395.377 4.067 30 40 GIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1C 2356816 JMOWHNQQMMFWMY-UHFFFAOYSA-N 378.501 4.479 30 40 GIEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 3359982 YEQKTJTZXYJGFR-UHFFFAOYSA-N 393.447 4.022 30 40 GIEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(F)c(Br)c1 5785675 MFERTLOLOOFWNG-ZROIWOOFSA-N 377.238 4.480 30 40 GIEB COc1cc(/C=N/N=C(/N)S)ccc1OCc1c(Cl)cccc1Cl 6090291 JWDDTBWBSNLFRP-DNTJNYDQSA-N 384.288 4.159 30 40 GIEB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC#N 6478666 QGEBFFPSLLLWES-UNOMPAQXSA-N 394.452 4.143 30 40 GIEB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2)n1 8558945 LCKPASQOXBDRBU-JTSKRJEESA-N 386.455 4.153 30 40 GIEB O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)Sc2ccccc21 16524246 KIWQUYRHOBOFNP-AWNIVKPZSA-N 378.203 4.392 30 40 GIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(C(=O)O)cc1)OCO3 18197462 MAUFLONFECFUFK-HXUWFJFHSA-N 391.423 4.314 30 40 GIEB COc1ccc(-c2csc(C3=C(N)N(C4CCCCCCC4)CC3=O)n2)cc1 96551384 GBSOWRJVKSGVEJ-UHFFFAOYSA-N 397.544 4.444 30 40 GIEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1c(Cl)cccc1Cl 102733342 ZIOQPHGZLMICHL-REWBMPMASA-N 386.242 4.466 30 40 GIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 102874557 NZCSUTDUEAEMHD-MRJHHRETSA-N 393.483 4.187 30 40 GIEB COc1ccc(/C=C2\CCC[C@H]([C@H](NO)c3ccc(OC)cc3)\C2=N\O)cc1 102969607 LSPQAPMSPVMUIX-QUOCOBQTSA-N 382.460 4.438 30 40 GIEB COc1cccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)c1 408749232 LWCTTZMAZPNMTK-XNTDXEJSSA-N 389.274 4.349 30 40 GIEB C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C#N)c1ccc(OCc2cccnc2)cc1 596134104 DKWPCXKKYDAYCZ-LDQXTDLNSA-N 378.476 4.103 30 40 GIEB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 820527 DHHJPXLVPLTAMJ-FQEVSTJZSA-N 383.488 4.251 30 40 GIEB C=CCNC(=S)N/N=C/c1ccc(OCCCOc2ccc(C)c(C)c2)cc1 4548055 LAHWBTAHUPGFNA-LFVJCYFKSA-N 397.544 4.135 30 40 GIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C#N 4725720 QXDADRHDFHNLKT-SSDVNMTOSA-N 391.387 4.022 30 40 GIEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 4898771 WTXYTRDODISRJZ-SQULJVTFSA-N 381.501 4.329 30 40 GIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O 9577251 YLYLPGIEHDJBIT-FAPYRAKZSA-N 382.412 4.032 30 40 GIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c1 16810037 RRCYXZJIYIGMAU-RANIVTSPSA-N 379.456 4.249 30 40 GIEB biogenic COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(F)F)cc1 19790518 ZSGDUKKMGXYUCA-QGZVFWFLSA-N 391.414 4.065 30 40 GIEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)cc1OC)C2=O 20610587 CIYZZMYNYVAADW-MTJSOVHGSA-N 397.471 4.258 30 40 GIEB biogenic O=C(C[n+]1nc(CNc2ccccc2)n2c1CCCCC2)c1ccc(Cl)cc1 27028888 NCSIDENVZBSHFG-UHFFFAOYSA-N 395.914 4.045 30 40 GIEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN)n2)cc1 82087230 KSVVZFAYKCYIEY-UHFFFAOYSA-N 381.423 4.479 30 40 GIEB Cc1ccc(/N=C2/SCC(=O)N2/N=C/c2ccc(Br)cc2)cc1 89627339 SSEOIQKNTDQZNB-HPCQOMFASA-N 388.290 4.355 30 40 GIEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)n2)cc1 104210192 GGNIQIBAUGRRDL-MRJHHRETSA-N 384.435 4.325 30 40 GIEB COC(=O)c1cccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 409213555 UJVKSZKTTBLDLH-UCQKPKSFSA-N 375.428 4.026 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)cc1C 2218667 COXMXAQUDOTTME-UHFFFAOYSA-N 398.557 4.464 30 40 GIEB CCc1ccc2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C#N)cc2c1 4848941 MZZFKXCVKWZXPA-UHFFFAOYSA-N 382.514 4.473 30 40 GIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1cccc(F)c1 4919792 HTODJKLWUQUWLA-AVRDEDQJSA-N 398.430 4.162 30 40 GIEB COc1ccc(NC(=S)N/N=C2\C(O)=Nc3c(Cl)cc(Cl)cc32)cc1 5639910 HPXWWBMVIMFLLU-UHFFFAOYSA-N 395.271 4.294 30 40 GIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 6891538 ILORTVHMMHBSIK-UFFVCSGVSA-N 382.316 4.390 30 40 GIEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 22323137 WYSKXDKNWSJCBO-PVLQNKMRSA-N 393.443 4.009 30 40 GIEB CCOC(=O)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 42153146 GITWIBOUCMOOML-UHFFFAOYSA-N 387.408 4.206 30 40 GIEB CCOc1cc(/C=C2/CCc3ccccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 89990971 WSPLFFPNPLDYTH-BAACNHRGSA-N 393.483 4.153 30 40 GIEB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916048 AKMGOLMVBIBATQ-NWJGULLRSA-N 382.548 4.386 30 40 GIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc(F)c1 408749590 HWNYQFPGFKRETF-KSEXSDGBSA-N 396.378 4.163 30 40 GIEB Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C#N 1188908035 VQGRKNKOBFWTQD-UHFFFAOYSA-N 387.468 4.454 30 40 GIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(C)c1 2201202 IFSHWOYQUGOSAE-UHFFFAOYSA-N 384.530 4.156 30 40 GIEB CC(=O)[C@@H]1[C@@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 2275071 LKNUEHIZNUCUFJ-NRSPTQNISA-N 375.378 4.081 30 40 GIEB N#CCCN(C(=O)COc1ccc(Br)cc1F)c1ccc(F)cc1 3428777 DSUPCYMPJJMCSX-UHFFFAOYSA-N 395.203 4.053 30 40 GIEB C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 3458751 DETOTQKKPIVIFY-LBPRGKRZSA-N 390.574 4.476 30 40 GIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 4944142 QRTPWBOHSLWBNV-ASSNKEHSSA-N 391.446 4.073 30 40 GIEB Cc1cc2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2cc1C 6660665 NIJJYYPVLBMQEF-UHFFFAOYSA-N 378.453 4.474 30 40 GIEB CCOc1ccc(OCCNCc2cn(CCC#N)nc2-c2ccccc2)cc1 7985259 FRHZADOJOOLCOA-UHFFFAOYSA-N 390.487 4.031 30 40 GIEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1ccc(C#N)cc1 12553272 ZMZIIUMCCXFLJU-HXUWFJFHSA-N 391.496 4.058 30 40 GIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14398920 FWEUAMMFTUWNRL-MRXNPFEDSA-N 380.488 4.306 30 40 GIEB C=CCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 14783738 ZQVRIFBIVXGRQW-UHFFFAOYSA-N 376.250 4.340 30 40 GIEB N#Cc1c(N)nc(SCC(=O)c2ccc(F)cc2)c(C#N)c1-c1cccs1 19852289 MIXBEEOUMYJZBN-UHFFFAOYSA-N 394.456 4.250 30 40 GIEB CCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797174 UOVYBVKOJFYVOC-OAQYLSRUSA-N 377.444 4.322 30 40 GIEB CC(=O)[C@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 36046355 KNONFVJMISTVFL-PCCBWWKXSA-N 375.378 4.081 30 40 GIEB Oc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 59104949 GDVQWEFQIGFGSV-MKMNVTDBSA-N 391.990 4.103 30 40 GIEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(F)cc1 101315436 RTLPBYJEMADABF-OACQNMCBSA-N 380.419 4.057 30 40 GIEB CC/N=C1/S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N1CC 408928335 ABADWNWQGMYPHK-QSAFIDALSA-N 385.445 4.475 30 40 GIEB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1cccc(C(=O)O)c1 409054511 AXKCODGATGZDQM-UXTWZOPHSA-N 391.452 4.490 30 40 GIEB COc1ccc(/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cn1 409188470 ZNBNPZFWHDQOOH-FMCGGJTJSA-N 392.411 4.127 30 40 GIEB CC1=NN(c2ccccc2)C(=N)/C1=N/NC1=C(C)[C@@H](C)[C@@H](c2ccccc2)C1=O 1554504471 YKQZOXQLAPWNPB-SRXSIAIRSA-N 385.471 4.082 30 40 GIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O 2338709 STJRTMJUYULVQZ-WLDAGKKMSA-N 381.501 4.329 30 40 GIEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc12 3365282 KPPSHZFJCWEQQG-UHFFFAOYSA-N 382.876 4.176 30 40 GIEB COc1cccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CCC3)c1OC 4944939 UANMMRMTHGCDFX-OAHLLOKOSA-N 395.430 4.371 30 40 GIEB COc1ccc(CCNc2oc(/C=C/c3ccccc3)nc2C#N)cc1OC 5278044 GKLRFVMCTQFYGV-PKNBQFBNSA-N 375.428 4.388 30 40 GIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 5409240 SYXCRUWJCDGGCY-NRFANRHFSA-N 399.402 4.198 30 40 GIEB N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 6889579 SBKWBRGHMCWWAF-UHFFFAOYSA-N 393.447 4.022 30 40 GIEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 6959438 SIJBQWBEZKXYPG-FBHDLOMBSA-N 376.840 4.181 30 40 GIEB C[C@H](CCc1ccccc1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 8992113 SPTUNCZENFJUMB-MRXNPFEDSA-N 389.524 4.343 30 40 GIEB Fc1ccc(-c2nnc(S)n2/N=C/c2cc(Br)ccc2F)cc1 9088554 RYODZLBXRUZTOE-UFWORHAWSA-N 395.232 4.157 30 40 GIEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)c1 12062920 TZZBTXJKRNPPIA-OAQYLSRUSA-N 387.435 4.397 30 40 GIEB C=C(C)COc1cccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 12344846 KZSVHYIZXGRUQU-UHFFFAOYSA-N 396.506 4.408 30 40 GIEB C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(OC)c1 12578523 FFQSOBWQYBJDAG-LJQANCHMSA-N 391.471 4.043 30 40 GIEB COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c1OC 54333094 ZSXYVYQVTCWAQH-GRSHGNNSSA-N 395.455 4.189 30 40 GIEB biogenic CCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102622042 SKYTZCGIAIQNAT-LVNJIZSUSA-N 383.488 4.488 30 40 GIEB Fc1ccc(Nc2nc(N/N=C/c3cccs3)nc(N3CCCCC3)n2)cc1 408972398 BIJJYBSSWBWQJZ-FYJGNVAPSA-N 397.483 4.252 30 40 GIEB CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 1222315 JFJVYKKQOXJGHD-UHFFFAOYSA-N 375.453 4.348 30 40 GIEB N#CCCN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 3270987 JVDUIPNNGZQNEJ-UHFFFAOYSA-N 377.227 4.097 30 40 GIEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3390018 DZQHJBBRPCBHBL-MRXNPFEDSA-N 396.512 4.285 30 40 GIEB C=CCn1c(N2CCC(C(=O)N[C@H](C)c3cccs3)CC2)nc2ccccc21 12116498 BFEVFZFQWZDXQT-MRXNPFEDSA-N 394.544 4.378 30 40 GIEB C=CCc1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)c(OC)c1 18239682 CIBAQDAASNFCPL-GXDHUFHOSA-N 395.455 4.018 30 40 GIEB C=CCn1c(S[C@H](CC)C(=O)Nc2ccccc2F)nnc1-c1cccnc1 20171437 CUQBCRNCMXXOIK-QGZVFWFLSA-N 397.479 4.175 30 40 GIEB N#CC(CCN1CCN(c2nccs2)CC1)(c1ccccc1)c1ccccc1 32765361 HCAGWECQRAEZFJ-UHFFFAOYSA-N 388.540 4.165 30 40 GIEB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N/c1ccc(C(=O)OC)cc1 96610435 LAXTXJRBSLAQSO-UBIDFSEFSA-N 396.468 4.106 30 40 GIEB O=C(Oc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1)c1ccc(Cl)cc1 408880104 HGJJULNODJYVAP-SSDVNMTOSA-N 396.790 4.308 30 40 GIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)ccc1OC 4920150 ZJAXURBEKXUMHH-NFBKMPQASA-N 394.467 4.332 30 40 GIEB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 5910061 UORBWZZLNHSZFQ-CWRNSKLLSA-N 386.517 4.361 30 40 GIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(OC)c2O)cc1 6386252 LEJJXLCRWYQIQW-KEBDBYFISA-N 391.880 4.028 30 40 GIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br 14011375 KDDBGUBESHMMOB-ATVHPVEESA-N 395.256 4.267 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 20672370 RPPDAHZHNJLPGR-OAQYLSRUSA-N 389.455 4.453 30 40 GIEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)cc1OC 62001278 OUFFPOHKIMXTHO-AWQFTUOYSA-N 395.455 4.189 30 40 GIEB biogenic COc1cc(/N=C/c2cccc(I)c2)cc(OC)c1OC 97960679 NBWPOWFRUKWUAD-VCHYOVAHSA-N 397.212 4.068 30 40 GIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 4684726 BMSCWYQZMDXLMY-FQEVSTJZSA-N 375.428 4.063 30 40 GIEB C=CCn1c(SCc2c(C(=O)OCC)sc(N)c2C#N)nc2ccccc21 5619038 UMTRBNFHOBASIQ-UHFFFAOYSA-N 398.513 4.207 30 40 GIEB CC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(F)cc2)N1 9087489 XOSANJAIWKZBHK-KRWDZBQOSA-N 397.841 4.474 30 40 GIEB COC(=O)c1ccc(-n2c(C)cc(-c3csc(/N=C/N(C)C)n3)c2C)cc1 58085352 MJZZWJPZTPPBKV-CIAFOILYSA-N 382.489 4.226 30 40 GIEB C#CCN(Cc1cccnc1)C(=O)NCC1(Sc2ccccc2)CCCC1 72274866 WDZAFWTUSPZVLA-UHFFFAOYSA-N 379.529 4.332 30 40 GIEB C#CCn1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408781140 ADXGMRXOMAANRR-LJJBLSSYSA-N 387.508 4.437 30 40 GIEB Cc1ccc(-n2cnc3c2CCN(c2nc(C(F)(F)F)ccc2C#N)C3)cc1 567441476 ZKPZNNIIBBHFJX-UHFFFAOYSA-N 383.377 4.029 30 40 GIEB Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 596839489 LTBQGLMXRFLCMW-LJQANCHMSA-N 386.459 4.125 30 40 GIEB CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(C)cc2)c(C#N)c1C 994635 CESYBVXWOJQZML-VAWYXSNFSA-N 381.501 4.371 30 40 GIEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(Cc2ccc(Cl)cc2)c1=O 5863474 JXHOVAZWJUFTCA-UHFFFAOYSA-N 399.233 4.012 30 40 GIEB N#Cc1ccccc1N1CCN(C(=S)c2ccc(Cl)cc2Cl)CC1 16449168 ZNNKVOGFSUKFOL-UHFFFAOYSA-N 376.312 4.363 30 40 GIEB Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1Cl 17242472 DEUFYBPAZBAVDU-HNNXBMFYSA-N 391.855 4.035 30 40 GIEB N#Cc1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 40286764 XMAHNCSCQVOOLL-MRXNPFEDSA-N 375.359 4.310 30 40 GIEB C=CCn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1ccoc1C 48354281 ROCAMZNXTQJUSC-UHFFFAOYSA-N 386.433 4.112 30 40 GIEB CN(C)c1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1 102615922 DOLYOMVQACXDAE-MOBKVPTQSA-N 398.462 4.379 30 40 GIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Br)o2)S1 408870277 WCEUMMNLEDAIFV-JYRVWZFOSA-N 393.262 4.251 30 40 GIEB C=CCNC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408975653 BTCCVSZBALKKQQ-UHFFFAOYSA-N 398.495 4.226 30 40 GIEB Cc1c(/C=C2/SC(=S)NC2=O)c2ccccc2n1Cc1ccccc1C#N 409348725 OVDVKZVAEORCSP-VXLYETTFSA-N 389.505 4.359 30 40 GIEB N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100145 GTXMDJOXTUHFCC-XMMPIXPASA-N 391.490 4.358 30 40 GIEB