smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 19609015 LKOBJRSGVWILBT-VMPITWQZSA-N 338.451 3.232 10 50 EGCA Cc1nnsc1CNC1CCN(c2ccc3c(c2)CCC3)CC1 1506425814 RSMFWTWPXDCPSL-UHFFFAOYSA-N 328.485 3.094 10 50 EGCA COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(OCc2ccccc2)c1 312502 BDTSQRPQDJLAFX-PDGQHHTCSA-N 349.386 3.226 10 50 EGCA C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C[C@@H](C)O1 1288567 KSHCHYOIEUKLGN-QOWMEECXSA-N 336.844 3.420 10 50 EGCA O=C(NCc1ccc(O)c(O)c1)[C@H](F)c1ccc(C(F)(F)F)cc1 253392629 DORDZCMSALBOFP-CQSZACIVSA-N 343.276 3.444 10 50 EGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc(F)c3)C2=O)c1 449060 BBUPIIXWPANYHS-MHWRWJLKSA-N 338.338 3.109 10 50 EGCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 966945 UASDPBXQGSOVAT-LOBLAWFCSA-N 327.814 3.014 10 50 EGCA C[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3cn[nH]c3)cc2)C1 97475514 IFLJHQVWFQQWKH-MRXNPFEDSA-N 340.471 3.285 10 50 EGCA CCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(C)C)cc1 5501820 FYUHGTDWKDIFSQ-UHFFFAOYSA-N 333.476 3.364 10 50 EGCA CCc1ncc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cn1 95374913 AXPBPPRTSREUIK-OAHLLOKOSA-N 338.455 3.205 10 50 EGCA O=C(N[C@H](c1ccccc1)c1nccs1)c1cccc(O)c1O 193021290 ICTBGQLNPPCFNA-CQSZACIVSA-N 326.377 3.074 10 50 EGCA COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 13388695 QNDGMNDUEXDAED-BHHNFLQBSA-N 333.434 3.007 10 50 EGCA CCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)C(O)=NC1=S 38170609 CGEULIZJFCDBNX-LCYFTJDESA-N 327.409 3.435 10 50 EGCA COc1ccc(N2CCC(N[C@H](c3nccn3C)C(C)C)CC2)cc1 67675984 WMUYJAOADXYIIY-IBGZPJMESA-N 342.487 3.384 10 50 EGCA O=C1NN=C(c2ccccc2)C1=CNCc1cccc(C(F)(F)F)c1 2040736909 QQLVFJOCZYBHSS-UHFFFAOYSA-N 345.324 3.213 10 50 EGCA Nc1ccc(CC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 237895791 FQPOGLXQAQWDAJ-INIZCTEOSA-N 326.465 3.452 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Cl)c3)C2=O)cc1 5061508 OXIMXCKKMVYLHP-GDNBJRDFSA-N 340.766 3.315 10 50 EGCA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)O)C1=O 4812718 CVENVXMOOBHCIX-HOJJKJLFSA-N 333.434 3.309 10 50 EGCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCCOCC 4171301 MTTKMGRVTHLHOL-SSZFMOIBSA-N 333.407 3.229 10 50 EGCA Oc1ccc(Br)cc1[C@@H]1NCC[C@@]2(O)CCCC[C@@H]12 22017474 XJNHERYXWJGEHS-QEJZJMRPSA-N 326.234 3.110 10 50 EGCA CCn1ncnc1[C@@H](C)NC1CCN(c2ccc3c(c2)CCC3)CC1 1506397702 VYORYIBPKQVSGD-OAHLLOKOSA-N 339.487 3.106 10 50 EGCA COc1ccc(O)c(CN2CCN(Cc3cccc(C)c3)CC2)c1 19235033 XMFKXFWHERKUCZ-UHFFFAOYSA-N 326.440 3.027 10 50 EGCA Cc1c(Br)ccc(O)c1CN1CCN(C2CC2)[C@H](C)C1 2325853853 DQUBTVJUOCFFQA-LLVKDONJSA-N 339.277 3.132 10 50 EGCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Cc1cccnc1 1166452 WNSUQVLWYQIAIS-ZSOIEALJSA-N 328.418 3.189 10 50 EGCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5073354 AXBPSPBYEDYPPZ-WQRHYEAKSA-N 349.390 3.257 10 50 EGCA Cc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 1188742 AAUGGRRBBRLVDR-FSBNRTBOSA-N 335.450 3.305 10 50 EGCA CCN1/C(=C2/SC(=S)N(N)C2=O)Sc2ccc(Cl)cc21 33286147 SMQUAUGTPDMGCX-LUAWRHEFSA-N 343.886 3.175 10 50 EGCA COc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 6714987 WKVHDTLUWLZLGC-UHFFFAOYSA-N 329.375 3.188 10 50 EGCA COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Br 1188547 LQDKUVCPUGQGOO-POHAHGRESA-N 344.255 3.289 10 50 EGCA CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1282608 AWYAJFOUCXQWFN-BPLGCGBFSA-N 346.433 3.232 10 50 EGCA COc1ccc(OC)c(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c1 13534546 HIWNNXHGUUWDCK-SEJMYLSOSA-N 346.452 3.406 10 50 EGCA COCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 1906185 PQQFXTMXJULETJ-GDNBJRDFSA-N 347.461 3.243 10 50 EGCA CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)C1CC1 408516796 ZAWPCLKIVSDMMN-CQSZACIVSA-N 346.471 3.421 10 50 EGCA CNC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 179021240 ZGENJBFGRVSIMM-KRWDZBQOSA-N 325.456 3.084 10 50 EGCA Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2ncnn2C)c1C 170609942 YACPSMOKGSCBOM-CQSZACIVSA-N 337.427 3.022 10 50 EGCA O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 15230466 OTBNRWGTJUMXPA-GHXNOFRVSA-N 331.374 3.134 10 50 EGCA CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(C)cc2)C1=O 16672068 IMRFOVAQMBXFNL-LGMDPLHJSA-N 336.391 3.245 10 50 EGCA O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 16488375 YPBYPPFDNRJIMT-JYRVWZFOSA-N 333.174 3.455 10 50 EGCA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 30419005 JCPDDPSVQNSASO-UHFFFAOYSA-N 344.480 3.382 10 50 EGCA CC(=O)c1ccc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)cc1 8991623 JBRDLIMAPDCNSX-UHFFFAOYSA-N 339.391 3.462 10 50 EGCA CCOc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 55543044 QLKNCRQZEMRMOK-UHFFFAOYSA-N 339.483 3.474 10 50 EGCA CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2850196 SAARDBICRTYIIQ-JYRVWZFOSA-N 345.401 3.476 10 50 EGCA CN(C)c1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1 3906349 QGLBGWZQCXQSPF-FMIVXFBMSA-N 333.395 3.063 10 50 EGCA Cc1csc(-c2coc3c(CN(C)C)c(O)cc(C)c3c2=O)n1 19771059 AIYPSJIZUYWNQU-UHFFFAOYSA-N 330.409 3.301 10 50 EGCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccccc1C(F)(F)F 108140 XFIBQRIFFPPEIZ-FLIBITNWSA-N 325.286 3.008 10 50 EGCA C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2F)C[C@@H](C)O1 229561104 BSOJTLGTRJEYFZ-HLLBOEOZSA-N 346.446 3.412 10 50 EGCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1 16115584 ZPQAFWRTEIFSDA-KAMYIIQDSA-N 349.477 3.403 10 50 EGCA Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 1857666682 GCXGSDMJMMLCFL-UHFFFAOYSA-N 346.795 3.073 10 50 EGCA Cc1ccsc1C=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 1857666668 GNRDHRCZBXXMIE-UHFFFAOYSA-N 344.436 3.409 10 50 EGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 186993 WAYYVROMXWDPPM-MDWZMJQESA-N 346.795 3.073 10 50 EGCA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O 31157838 UXVPWKDITRJELA-CLWJZODNSA-N 346.423 3.258 10 50 EGCA endogenous,in-man COc1ccc(N2CC3(C2)CN(c2cc(C(F)(F)F)ccn2)C3)cc1 2356158404 IZPLZUBJDMEQMC-UHFFFAOYSA-N 349.356 3.436 10 50 EGCA COc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 13331784 ZKNFJEMRZMVQEZ-UHFFFAOYSA-N 338.451 3.367 10 50 EGCA COc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1 339876 HARZFXBJVSJUJY-UHFFFAOYSA-N 330.453 3.110 10 50 EGCA COc1cc(N2CCN([C@@H](C)c3ccco3)CC2)cc(OC)c1OC 170602827 DUWMOWFLDZJSCS-AWEZNQCLSA-N 346.427 3.189 10 50 EGCA CCOc1ccccc1OCCN(C)Cc1c(O)cccc1OC 55042056 DWESSCQEYLVSBH-UHFFFAOYSA-N 331.412 3.310 10 50 EGCA C[C@H]1C[C@H](CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1 253426998 UJLSYDKKZHXGIS-CLLJXQQHSA-N 343.518 3.128 10 50 EGCA Cc1[nH]nc2c1CN(C1CCN(c3ccc4c(c3)CCC4)CC1)CC2 1506429567 UREZKRAAEJQLSN-UHFFFAOYSA-N 336.483 3.234 10 50 EGCA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2673121 ZGCPBELWXCOKKY-YAWLZAOSSA-N 346.477 3.423 10 50 EGCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(C)o3)C2=O)cc1 1241592 XTTXRENTONFBIU-XNTDXEJSSA-N 340.335 3.493 10 50 EGCA CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Cl)SC1=S 2053549730 SJZHVMQOFSHBKO-UHFFFAOYSA-N 328.802 3.469 10 50 EGCA O=C1N=C(O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 16309495 CTTXWYHQYXTDOY-UVTDQMKNSA-N 337.291 3.102 10 50 EGCA CCOC(=O)CC1(c2ccc(F)cc2)C(=O)c2ccccc2C1=O 198837 XPCINQJQNCYHSE-UHFFFAOYSA-N 326.323 3.096 10 50 EGCA CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)ccc1O)NCC2 34502 DNDFOJCKNVHLPI-HXUWFJFHSA-N 343.423 3.433 10 50 EGCA biogenic O=C(O)c1c(/N=N/c2ccc([N+](=O)[O-])cc2)ccc(O)c1[N+](=O)[O-] 670430011 YSRCXQKNMICOSB-CCEZHUSRSA-N 332.228 3.322 10 50 EGCA O=C1c2c(ccc3[nH]c(-c4ccncc4)nc23)C(=O)[C@@H]2C=CC=C[C@H]12 219035378 KSFIWHOAKHULIV-OLZOCXBDSA-N 327.343 3.362 10 50 EGCA Cc1oc2ccccc2c1/C=C1\SC(N2CCOCC2)=NC1=O 221989912 PQFXLJPLXQFKBV-GDNBJRDFSA-N 328.393 3.044 10 50 EGCA CC[C@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1282610 AWYAJFOUCXQWFN-BFTHVDOESA-N 346.433 3.232 10 50 EGCA CCCc1nc(C)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 16606375 SDOSDDXWBRVUOT-UHFFFAOYSA-N 326.444 3.073 10 50 EGCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 207166 PKODMDBLGBUNJJ-UHFFFAOYSA-N 342.214 3.264 10 50 EGCA COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c1 170615331 LFIDYIJIWNLVGC-GOSISDBHSA-N 340.379 3.107 10 50 EGCA O=C1N=C(O)/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc(F)cc1 17028546 QSEQMXXBAUHIOR-DHDCSXOGSA-N 340.310 3.034 10 50 EGCA COc1cccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)c1O 20992336 JNPWRXKHMZVBTD-KRWDZBQOSA-N 344.430 3.294 10 50 EGCA COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c1 170615330 LFIDYIJIWNLVGC-SFHVURJKSA-N 340.379 3.107 10 50 EGCA COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccco1 312439 WZNNMZBGLLVEGY-BOPFTXTBSA-N 337.375 3.461 10 50 EGCA O=C(Nc1ccc(O)cc1C(=O)O)c1ccccc1Br 5093110 WHFFXBLUEGUSCO-UHFFFAOYSA-N 336.141 3.105 10 50 EGCA O=C(c1cccc(O)c1O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 375680991 WXSIBXKZVNPDKK-GFCCVEGCSA-N 333.334 3.081 10 50 EGCA C[C@H]1CN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)C[C@H](C)O1 19791828 PDSWZIXYNCJANZ-STQMWFEESA-N 339.391 3.261 10 50 EGCA Oc1ccc(F)cc1CNc1ccccc1CN1CCC(O)CC1 1875284887 SHXZIWIWNIWJLF-UHFFFAOYSA-N 330.403 3.100 10 50 EGCA O=C1N=C(O)/C(=C/c2cccs2)C(=O)N1CCc1ccc(F)cc1 17027625 UHFQJVBFNDHGCA-UVTDQMKNSA-N 344.367 3.432 10 50 EGCA Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1cccnc1 2993471 GROYWXZSOWNTBD-RIYZIHGNSA-N 329.450 3.320 10 50 EGCA Nc1c(N2CCCCCC2)cc(O)c2c1C(=O)c1ccccc1C2=O 4117297 FOWGRKALMKNUHG-UHFFFAOYSA-N 336.391 3.130 10 50 EGCA CC(=O)Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1 14979584 XAFUQMFQXZVZHG-UHFFFAOYSA-N 348.834 3.038 10 50 EGCA NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O 3782517 QLJOSZATCBCBDR-DFKUFRTHSA-N 329.440 3.255 10 50 EGCA biogenic,in-vitro O=C1c2ccc3[nH]c(-c4ccncc4)nc3c2C(=O)[C@@H]2C=CC=C[C@H]12 219035612 KSFIWHOAKHULIV-QWHCGFSZSA-N 327.343 3.362 10 50 EGCA CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)ccc1O)NCC2 34501 DNDFOJCKNVHLPI-FQEVSTJZSA-N 343.423 3.433 10 50 EGCA biogenic CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(O)nc2ccccc12 170643822 XRKZTPIEGFFPOQ-UHFFFAOYSA-N 349.390 3.046 10 50 EGCA CN(Cc1cccs1)c1ccc(CNC[C@]2(O)CCSC2)cc1 295778277 RIBWTRCJGQLUEL-GOSISDBHSA-N 348.537 3.342 10 50 EGCA COc1ccc(N2CCC(N3CCCN(C(C)C)CC3)CC2)cc1 670465646 UDWKSYGAJSCYMU-UHFFFAOYSA-N 331.504 3.080 10 50 EGCA O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 974967 XXOSNTFGLAKMFZ-KPKJPENVSA-N 331.374 3.134 10 50 EGCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2cccnc2)ccc1O 20541864 HPWMVTYCEYQSGY-SFHVURJKSA-N 340.423 3.372 10 50 EGCA Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 5027417 AXPLBAORYVDULJ-AUWJEWJLSA-N 342.380 3.141 10 50 EGCA CCOc1cccc(CN2CCc3cc(OC)c(OC)cc3C2)c1O 16662852 GKEUWUOSVPEYGS-UHFFFAOYSA-N 343.423 3.366 10 50 EGCA Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 100048641 ADCWDMYESTYBBN-VHEBQXMUSA-N 344.371 3.110 10 50 EGCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 1236380 MRVNIMNARZNNMR-ABRRARGCSA-N 327.452 3.059 10 50 EGCA Nc1ccc(CC(=O)N2CCc3c(Br)cccc3C2)cc1 154790677 PWGSVGXNVBBVQK-UHFFFAOYSA-N 345.240 3.159 10 50 EGCA Oc1ccc(F)cc1C1=NN[C@H](c2cc(Cl)cc3c2OCOC3)C1 311789 NBAOMQAWXLLMCX-HNNXBMFYSA-N 348.761 3.490 10 50 EGCA Oc1cccc(Br)c1CNC[C@@]1(O)CCc2ccccc21 858153428 LRXLLFMVDBUMDI-KRWDZBQOSA-N 348.240 3.078 10 50 EGCA COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)N3N=NNC3=N2)cc1 6830331 WFSRYAPBXCVYGX-SFHVURJKSA-N 348.410 3.400 10 50 EGCA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1215508 ZYGAWTWZLNYHJZ-FNWMBBJUSA-N 335.450 3.450 10 50 EGCA CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 14010764 AAZHPBOUUBFSGQ-LFIBNONCSA-N 338.338 3.055 10 50 EGCA O=[N+]([O-])c1ccc(O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1 4980764 VAPPQMGTVPHKHI-UHFFFAOYSA-N 347.802 3.276 10 50 EGCA CC(C)c1nc2n(n1)C[C@@H](NCc1c(O)ccc(Cl)c1F)CC2 190973980 IGDVWTYLCQOJJO-JTQLQIEISA-N 338.814 3.004 10 50 EGCA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(c3ccccc3)=NN12 4652995 AQPGLGHNUYQZOX-NAXSCAEVSA-N 338.417 3.416 10 50 EGCA CCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 13331722 ORXUWRIYPYDERE-UHFFFAOYSA-N 340.423 3.056 10 50 EGCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 15134082 COIGNWCPPHUXBG-BOPFTXTBSA-N 335.363 3.412 10 50 EGCA CSc1c(C)ccc([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356166251 ZELKIMHALPEDLJ-AWEZNQCLSA-N 343.404 3.204 10 50 EGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)c1 2947983 DVZGFFPZZPTMDC-NTEUORMPSA-N 340.404 3.340 10 50 EGCA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)CC(=O)N2 65363726 KEFCFEWWVNUVKY-CQSZACIVSA-N 335.363 3.066 10 50 EGCA CCc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)no1 97307321 RRUFCUPKHKVEEP-CQSZACIVSA-N 327.428 3.403 10 50 EGCA COc1ccc(N2CCN(c3cccc([C@@H](C)O)n3)CC2(C)C)cc1 96153244 TUDMVRMUZSVVSD-OAHLLOKOSA-N 341.455 3.249 10 50 EGCA CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O 16671248 VFTASKULNGVSOJ-ATVHPVEESA-N 336.391 3.164 10 50 EGCA CCN(C)c1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1 1772816146 KQHDTYCVLBJNAK-UHFFFAOYSA-N 346.434 3.281 10 50 EGCA CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 4746499 VVFLKJOVVUJTDU-PKNBQFBNSA-N 341.479 3.293 10 50 EGCA C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1 67614198 PIYSVBZGTIEGFK-MRXNPFEDSA-N 344.480 3.401 10 50 EGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1OC 112643 KRSKCBZPCRNEDG-GDNBJRDFSA-N 329.396 3.024 10 50 EGCA Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1cccc(Cl)c1 8742734 TZJGBNZNFZYKJQ-UHFFFAOYSA-N 343.770 3.337 10 50 EGCA CCOc1cccc(CN2CCN(c3ccccc3OC)CC2)c1O 55292312 RGHUDWAEFYJZBJ-UHFFFAOYSA-N 342.439 3.122 10 50 EGCA COc1cccc(-c2ccc(O)c(CN(C)Cc3ccon3)c2)n1 20908291 PASYCQNHMSSGIX-UHFFFAOYSA-N 325.368 3.083 10 50 EGCA CC[C@@H](NC[C@@]1(O)CCSC1)c1cc(Br)ccc1O 156202716 ZNHCISIFMADZLR-OCCSQVGLSA-N 346.290 3.063 10 50 EGCA Cn1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)n1 6828235 HDKJPVYSWUYORX-NBVRZTHBSA-N 328.375 3.255 10 50 EGCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 112510 MZWNBNPNNBCPBU-POHAHGRESA-N 326.179 3.296 10 50 EGCA COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 10113477 VUFRJZFRIXMPCI-UHFFFAOYSA-N 340.423 3.234 10 50 EGCA CN(C)c1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 20995527 YIAHTVBCJNGHNU-UHFFFAOYSA-N 347.466 3.069 10 50 EGCA CN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 1013931 DFEYVFOEFHVCDZ-LCYFTJDESA-N 345.405 3.217 10 50 EGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 450336 GCXGSDMJMMLCFL-DHZHZOJOSA-N 346.795 3.073 10 50 EGCA O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1cccnc1 13482622 RHMTUKRMXLQTHZ-ZSOIEALJSA-N 328.418 3.189 10 50 EGCA CCOc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 6967639 CINVPTHPJMURQE-UHFFFAOYSA-N 340.423 3.056 10 50 EGCA CC[C@H](C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)C(O)=NC1=S 38170395 GIMVWDZKPLKMMM-AAIQCTMTSA-N 327.409 3.433 10 50 EGCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c1 468984 KRXPJHPVRXKBTH-OQLLNIDSSA-N 340.404 3.036 10 50 EGCA CCCCOc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O 2312217 VEMDBKVPGVVQLP-DTQAZKPQSA-N 346.452 3.168 10 50 EGCA COc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c(O)c1 19634003 NIRKRXPRDYRHNN-VMPITWQZSA-N 338.451 3.232 10 50 EGCA O=C(NCc1cccc(Cl)c1O)c1cc(-c2cccc(O)c2)on1 1305085221 UCEZACRPJUUUGU-UHFFFAOYSA-N 344.754 3.336 10 50 EGCA COc1cc(OC)cc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 170620032 XZCQXCXMYXCSPZ-GOSISDBHSA-N 340.379 3.107 10 50 EGCA C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 252467596 UYQQXWVMVYWDFN-LALPHHSUSA-N 342.361 3.184 10 50 EGCA Cc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 1187972 DSYUHLFGNFCTBN-LLBKUYECSA-N 335.450 3.305 10 50 EGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 81154 DNJCOYQCPWJMLI-WLLUSJSYSA-N 330.453 3.144 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2Cl)c1 6715950 PCGMPNFEIXTFGA-UHFFFAOYSA-N 346.814 3.438 10 50 EGCA Cn1cc([C@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2)cn1 187518261 NRZQNGGRNRKQAB-HXUWFJFHSA-N 337.398 3.373 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 179629 AQISBYLINCAQFN-BDKUJZOCSA-N 332.359 3.218 10 50 EGCA COC(=O)c1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O 4701748 UFXJHVDGSLKQLB-UHFFFAOYSA-N 349.386 3.239 10 50 EGCA COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)N3N=NNC3=N2)cc1 6830332 WFSRYAPBXCVYGX-GOSISDBHSA-N 348.410 3.400 10 50 EGCA CCc1cccc2c(/C=C3\C(=O)N(CC)C(=S)N=C3O)c[nH]c12 20234506 URSOZQXCJLVBHE-JYRVWZFOSA-N 327.409 3.217 10 50 EGCA CC(C)Oc1ccc(Br)cc1/C=C1\SC(N)=NC1=O 5126356 AYOBDFWXKDDMRV-WDZFZDKYSA-N 341.230 3.165 10 50 EGCA COCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5051044 UVJSPNSVYCAKGO-XFFZJAGNSA-N 331.821 3.327 10 50 EGCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 973299 UWZGKFZEMBHKEK-MDWZMJQESA-N 345.401 3.232 10 50 EGCA CCC(=O)N[C@@H](c1ccco1)c1c(O)c(C(=O)O)cc2ccccc12 452766 AUWZTNRVNIEWOZ-KRWDZBQOSA-N 339.347 3.452 10 50 EGCA CCN(CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1 952962112 AXEXXWQLGIBHSU-UHFFFAOYSA-N 338.499 3.363 10 50 EGCA Nc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3)c2)cc1 49889 BEHKLEGNLJLVED-UHFFFAOYSA-N 346.390 3.356 10 50 EGCA Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13671555 UYBZYEAQHBIBOX-UHFFFAOYSA-N 344.480 3.464 10 50 EGCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 15659229 PZWTUGLZICMLCN-LFIBNONCSA-N 345.358 3.143 10 50 EGCA COc1ccc(O)c([C@H](C)NC2CCN(Cc3ccncc3)CC2)c1 185068851 YHUSBZXCRYPHIT-HNNXBMFYSA-N 341.455 3.111 10 50 EGCA CCC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2O)cc1 42117531 ACHRPNZWOKETHQ-UHFFFAOYSA-N 327.380 3.022 10 50 EGCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1 45630 RVLUQWKSJUGSRV-KPKJPENVSA-N 348.836 3.233 10 50 EGCA Cn1cc(N2CC[C@@H](Sc3ncc(C(C)(C)C)s3)C2=O)cn1 164015145 YWKKAZVBNPCHPO-LLVKDONJSA-N 336.486 3.072 10 50 EGCA Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1-c1cccc(F)c1 237676780 IYQGLZUBGUDEDY-UHFFFAOYSA-N 344.386 3.170 10 50 EGCA O=C(O)c1ccc(CO/N=N\OCc2ccc(C(=O)O)cc2)cc1 45789079 KNKCXZHPOIMNJH-ZCXUNETKSA-N 330.296 3.099 10 50 EGCA in-vitro O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1O 16671175 VEVOKWHOABPPCT-QPEQYQDCSA-N 349.173 3.160 10 50 EGCA O=C(c1cccc(O)c1O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 375680992 WXSIBXKZVNPDKK-LBPRGKRZSA-N 333.334 3.081 10 50 EGCA CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 49740655 ROHTTZHVALHXEH-UHFFFAOYSA-N 343.858 3.022 10 50 EGCA CCOC(=O)[C@@H]1CCCN(Cc2cc(-c3cccnc3)ccc2O)C1 299786243 SCDQPSNUGRMHEV-QGZVFWFLSA-N 340.423 3.229 10 50 EGCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 966978 ZEHMKIXTESILQT-LWYMYGMPSA-N 327.814 3.014 10 50 EGCA Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N=C3O)c2C)cc1 1879097 NWAYTNUYCCYKRC-YBEGLDIGSA-N 337.379 3.334 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cccc(C)n3)CC2(C)C)cc1 82166681 JMYHAOVJXTVMOP-UHFFFAOYSA-N 339.439 3.140 10 50 EGCA CCn1c(/C=C2/C(=O)N(C)c3ccc(C)cc32)nc2ccccc2c1=O 32617999 CYFOORLDVGLXGN-FOWTUZBSSA-N 345.402 3.242 10 50 EGCA CN(Cc1cccs1)c1ccc(CNC[C@@]2(O)CCSC2)cc1 295778282 RIBWTRCJGQLUEL-SFHVURJKSA-N 348.537 3.342 10 50 EGCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1 312480 BIESBEPQLIQWED-RIYZIHGNSA-N 342.445 3.196 10 50 EGCA CCN1C(=O)/C(=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 1449342 SHMBJLGKZZKKGS-YPKPFQOOSA-N 346.477 3.281 10 50 EGCA COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1OC 541959 VOOIVILQOWPJQS-MRXNPFEDSA-N 340.379 3.107 10 50 EGCA CCC(=O)N[C@H](c1ccco1)c1c(O)c(C(=O)O)cc2ccccc12 452767 AUWZTNRVNIEWOZ-QGZVFWFLSA-N 339.347 3.452 10 50 EGCA CCc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 304078 GGQLVMLCOWGFLH-MHWRWJLKSA-N 326.783 3.364 10 50 EGCA CC[C@@H](C)n1nccc1S(=O)(=O)Nc1ccc(O)cc1Cl 1875281262 YRRXVNRSAOFVKX-SECBINFHSA-N 329.809 3.014 10 50 EGCA CCCOc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O 16214229 FJDPEJOBURPTCE-JYRVWZFOSA-N 338.816 3.235 10 50 EGCA CC(C)=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 455914 MHAAFMLQICCYOF-UHFFFAOYSA-N 335.860 3.385 10 50 EGCA CN(C)Cc1c(O)ccc(C(=O)COc2ccc(Cl)cc2)c1O 25559213 PMMMCUOBJPEWDH-UHFFFAOYSA-N 335.787 3.075 10 50 EGCA COC[C@@H](NCc1ccc(Br)cc1O)c1ccco1 825325144 BJASFTQKNMTVJZ-GFCCVEGCSA-N 326.190 3.225 10 50 EGCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1cccc([N+](=O)[O-])c1 5214576 JSSUVMUEBZQHSV-ZROIWOOFSA-N 341.348 3.383 10 50 EGCA COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 253431211 ZNUQYQAEMZEWAZ-QGZVFWFLSA-N 340.379 3.107 10 50 EGCA Fc1ccc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)c(F)c1 952969557 MFPQMGITWXIXFX-UHFFFAOYSA-N 346.377 3.452 10 50 EGCA CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)O)cc1 13617946 XSMZLKKQIKFYDT-LFIBNONCSA-N 344.798 3.262 10 50 EGCA COc1ccc(N2CCN(C(=S)NC3CCCCC3)CC2)cc1 414803 XZQSLTQGPKAZOA-UHFFFAOYSA-N 333.501 3.024 10 50 EGCA C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 164517153 KAPVPBQICOONPH-GDBMZVCRSA-N 333.476 3.413 10 50 EGCA CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)N(C)C1=S 100288705 IQSZMWORGMHPTL-FOCLMDBBSA-N 327.453 3.139 10 50 EGCA NC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 1066133 MLLHYVFVOGSFIB-UHFFFAOYSA-N 334.375 3.260 10 50 EGCA Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12 300859 ZIDMZBIYZNIQPJ-UHFFFAOYSA-N 349.962 3.038 10 50 EGCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 1164438 AFPCYZAQANJAFL-PEHNMLCRSA-N 335.450 3.473 10 50 EGCA CCN(CC)c1ccc(/C=C2\SC(=O)N(CN(C)C)C2=O)cc1 334163543 WJCCDXMXEUBVQN-PTNGSMBKSA-N 333.457 3.088 10 50 EGCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1 194520 PAYSDIVTEWDIFN-XYOKQWHBSA-N 333.174 3.455 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F 54284499 LNGRGCKLJRMXPD-UHFFFAOYSA-N 348.805 3.246 10 50 EGCA Cc1cc(CN2CCOC3(CCOCC3)C2)ccc1N1CCCCC1 408519540 QHHPQFHDTQWWSC-UHFFFAOYSA-N 344.499 3.367 10 50 EGCA O=C1CCC[C@@H]1c1cc(NS(=O)(=O)c2ccccc2)ccc1O 265650 BHKZJHMCROBVPA-CQSZACIVSA-N 331.393 3.030 10 50 EGCA CCN(CC)C/C=C/c1c(F)c(F)c(N2CCOCC2)c(F)c1F 5065683 HLZJIJQTPZGQGB-AATRIKPKSA-N 346.368 3.435 10 50 EGCA Cc1ccsc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13130459 PJPVQHJGBFTRDK-BZPKPHBRSA-N 325.480 3.437 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 6715749 SJJRDQXIOACPOA-UHFFFAOYSA-N 348.805 3.450 10 50 EGCA CCC(=O)N1N=C(c2ccc(O)c([N+](=O)[O-])c2)C[C@@H]1c1cccs1 328598551 MZGPMJXZANXHRS-CYBMUJFWSA-N 345.380 3.450 10 50 EGCA CC(=O)c1ccc(N2CCOCC2)c(-c2ccnc3c2ccn3C)c1 72166954 IHOQBKKONDOFOS-UHFFFAOYSA-N 335.407 3.280 10 50 EGCA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2673123 ZGCPBELWXCOKKY-DZOVYVGFSA-N 346.477 3.423 10 50 EGCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5046851 UULQWQZZJJLJPF-PDGQHHTCSA-N 349.390 3.257 10 50 EGCA CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2cccnc2)ccc1O 20541867 HPWMVTYCEYQSGY-GOSISDBHSA-N 340.423 3.372 10 50 EGCA CCn1c(/C=C2/C(=O)Nc3ccc(C)cc32)nc2ccccc2c1=O 32617997 WNQYELGBZNJFOF-RVDMUPIBSA-N 331.375 3.218 10 50 EGCA COc1ccc(OC)c(-c2ccc(O)c(CNC[C@H]3CCCO3)c2)c1 299768348 UCBUXQLVJFLZDC-QGZVFWFLSA-N 343.423 3.345 10 50 EGCA CC(C)(C)c1ccc(O)c([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c1 2356168541 HVYABNHMFRGDQL-KRWDZBQOSA-N 339.391 3.471 10 50 EGCA COc1ccc(N2CCN(C(=O)Cc3ccsc3)CC2(C)C)cc1 77516336 UCKFFANUTMMPFW-UHFFFAOYSA-N 344.480 3.427 10 50 EGCA C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCC2)cc1 71754922 NVWWUCXNOMJIMM-INIZCTEOSA-N 329.488 3.196 10 50 EGCA CC(C)(C)c1ccc(O)c([C@H](C(=O)O)N2Cc3ccccc3C2=O)c1 2356168542 HVYABNHMFRGDQL-QGZVFWFLSA-N 339.391 3.471 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1 179627 NNGIIPOGKFNWEH-XNTDXEJSSA-N 340.766 3.315 10 50 EGCA C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(=O)O 843329170 BFMSRKTXWSDTHA-IAOVAPTHSA-N 339.391 3.203 10 50 EGCA CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1CN(C)C 328590122 DGZLRMUEKCBQTC-UHFFFAOYSA-N 329.444 3.070 10 50 EGCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 2824482 FAOSLQDWSKDJTP-KXXGJRMMSA-N 336.376 3.255 10 50 EGCA COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)c(OC)c1 277116 JMATZNKITZWQLY-YFHOEESVSA-N 343.291 3.186 10 50 EGCA COc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 4475010 MZAFAMFMIWTLTC-GXDHUFHOSA-N 328.418 3.496 10 50 EGCA CC(C)(C)c1ccc(CN2CCC3(CC2)C[C@@H](C(=O)O)CO3)c(O)c1 2325792795 MJUCCSWSOTUXFP-OAHLLOKOSA-N 347.455 3.145 10 50 EGCA NC1=CC=C(O)[C@H]2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@@H]12 100858661 PZPYTMCCNSGMNY-DOTOQJQBSA-N 348.358 3.045 10 50 EGCA CCc1ncc(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 72135305 YLHPLERCOHERGP-UHFFFAOYSA-N 340.471 3.148 10 50 EGCA CC(=O)N1CCc2sc(C(=O)CSc3nccs3)cc2C1 163267781 RBWYSCUNCVQUPJ-UHFFFAOYSA-N 338.479 3.084 10 50 EGCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3F)coc12 302565 BNYCKKHXUMQANO-UHFFFAOYSA-N 329.327 3.492 10 50 EGCA O=C(O)[C@@H](c1ccc2ccccc2c1O)N1Cc2ccccc2C1=O 2356167554 SFJVUXDROLHEBX-QGZVFWFLSA-N 333.343 3.327 10 50 EGCA O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3O)c-2cc1O 100037549 GRWQEXZZWRVXDZ-UHFFFAOYSA-N 336.299 3.387 10 50 EGCA CN(c1ccc(CNc2nccn(C)c2=O)cc1)C1CCCCC1 170642797 QBJYOUSMDXCCCD-UHFFFAOYSA-N 326.444 3.161 10 50 EGCA Oc1ccc(F)cc1C1=NN[C@@H](c2cc(Cl)cc3c2OCOC3)C1 311787 NBAOMQAWXLLMCX-OAHLLOKOSA-N 348.761 3.490 10 50 EGCA CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 981889 WCGVXAJXGDHCCU-VBKFSLOCSA-N 346.452 3.278 10 50 EGCA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1Cc1ccccc1 12733498 SHALFGFJUXKVHA-OQLLNIDSSA-N 343.429 3.499 10 50 EGCA O=C1c2ccc3[nH]c(-c4ccncc4)nc3c2C(=O)[C@@H]2C=CC=C[C@@H]12 219035532 KSFIWHOAKHULIV-CHWSQXEVSA-N 327.343 3.362 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)cc1C 451399 WFFCOHDWNUSYBC-NTEUORMPSA-N 340.404 3.340 10 50 EGCA N=C1NC(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 23128344 ZTQRCHSHUFZLQC-WUXMJOGZSA-N 348.767 3.437 10 50 EGCA Cc1ccc(N2NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1C 19143299 FYZPOBZVNUFIFI-YVLHZVERSA-N 331.375 3.246 10 50 EGCA Cn1cccc1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O 17180670 HVNPYWGQHZTHFA-LCYFTJDESA-N 345.811 3.350 10 50 EGCA O=C(c1ccco1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 4292072 WIYFQNKIVFKELN-MRXNPFEDSA-N 333.347 3.372 10 50 EGCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1O 4997317 FDHWBIOMJMFEHN-JYRVWZFOSA-N 349.173 3.160 10 50 EGCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3)C2=O)cc1 5061425 OOVWHWMJLZSJKB-ATVHPVEESA-N 334.375 3.476 10 50 EGCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1 2967468 ZNYBPOMVPNFNES-ZRDIBKRKSA-N 326.739 3.006 10 50 EGCA CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn(C)c1 268831864 LNAIUBPPQURJNP-UHFFFAOYSA-N 337.217 3.156 10 50 EGCA Cc1cc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C 170646394 OEEUGYHNOZCTDD-MRXNPFEDSA-N 334.460 3.498 10 50 EGCA CCOC(=O)c1sc2c(nc3ccc(Br)cn32)c1O 45028116 BZMNOCAJNKSJRL-UHFFFAOYSA-N 341.186 3.194 10 50 EGCA COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 242191387 XFCUYSHTBIFYJM-MSOLQXFVSA-N 340.423 3.131 10 50 EGCA O=C(O)CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1013867 YYRLVKBVJKUTJD-XBXARRHUSA-N 348.232 3.279 10 50 EGCA CCc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3)C2=O)cc1 16193603 RPUMZHQMCVJAIJ-CVCOPPNTSA-N 346.386 3.472 10 50 EGCA C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)c1cccnc1 1251387861 NLKDSWRACFNEIC-QMMMGPOBSA-N 347.223 3.134 10 50 EGCA O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4455997 IWXWPODGYGUGJI-JYRVWZFOSA-N 343.389 3.396 10 50 EGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1nc2ccccc2n1C 59706110 HYKHDMTTXOOOJT-FVGNFYTDSA-N 332.367 3.448 10 50 EGCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccco2)SC1=S 1870846 IKSSQUDPQCNNNX-PKNBQFBNSA-N 325.411 3.126 10 50 EGCA COc1ccc(N2CCN([C@@H]3CCN(c4ccccc4)C3)CC2)cc1 1506414071 BSOIUONBFOFNOG-HXUWFJFHSA-N 337.467 3.096 10 50 EGCA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(c3ccco3)=NN12 313188 CJTPOPKMQHVNQV-YMKMMDQASA-N 328.378 3.009 10 50 EGCA CCOC(=O)[C@H]1CCCCN1Cc1cc(Br)ccc1O 16662996 DPHRXGNOQFRPSU-CYBMUJFWSA-N 342.233 3.072 10 50 EGCA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccs1)O3 144029508 BVAZBPHICLDVKX-DLTLXFJOSA-N 338.392 3.257 10 50 EGCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 3904775 FTADIYNIEAMDJX-KXXGJRMMSA-N 341.440 3.028 10 50 EGCA CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O 1186577 TVVCFORYVXLXNE-XFFZJAGNSA-N 341.230 3.181 10 50 EGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 445889 STLGKBCCSVCHLP-LFIBNONCSA-N 336.416 3.135 10 50 EGCA O=C(CCNCc1ccc2c(c1)CCCO2)Nc1cccc(F)c1 65398656 BXQSXRKQOJEQHL-UHFFFAOYSA-N 328.387 3.269 10 50 EGCA C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 68462825 GTKMZWGMSRPZQV-OAHLLOKOSA-N 325.412 3.406 10 50 EGCA Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)o1 510174 BLPAGSIBNRPHDG-YBEGLDIGSA-N 338.363 3.378 10 50 EGCA Cc1c(Br)ccc(O)c1CN1CCN(C2CC2)[C@@H](C)C1 2325853854 DQUBTVJUOCFFQA-NSHDSACASA-N 339.277 3.132 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)cc1C 359331 BQJUXLKXOSSYIS-NTEUORMPSA-N 326.377 3.031 10 50 EGCA C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 164517235 KAPVPBQICOONPH-HOCLYGCPSA-N 333.476 3.413 10 50 EGCA Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 2534435 SXKBQLZMICXHNV-NFQUHZNNSA-N 344.414 3.171 10 50 EGCA CCOc1ccc(CN[C@@H]2CCS(=O)(=O)c3ccccc32)cc1C 170084509 NYOYLGSJPAQVKC-QGZVFWFLSA-N 345.464 3.402 10 50 EGCA O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc(O)c1O 193150735 YERNHXRMSBNORC-KRWDZBQOSA-N 338.338 3.151 10 50 EGCA c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc3c(c2)CCO3)nc1 12318448 OZFCMZHUJWKYJA-GOSISDBHSA-N 346.434 3.369 10 50 EGCA COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 386869 NTVXRBPFWHBFRU-UHFFFAOYSA-N 325.412 3.358 10 50 EGCA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 4982463 FCQLAKKYURUXHB-KRWDZBQOSA-N 345.443 3.114 10 50 EGCA O=C(C/C=C/c1cccc([N+](=O)[O-])c1)C1C(=O)c2ccccc2C1=O 100644806 GPYWMEWIULBBHK-GQCTYLIASA-N 335.315 3.263 10 50 EGCA Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113619 UBQFIZQTHALBQQ-UHFFFAOYSA-N 330.453 3.074 10 50 EGCA C/C(=C1/SC(=S)N(CC(=O)O)C1=O)c1ccc(Cl)cc1 966709 FROBOWQNHFBYAW-XFFZJAGNSA-N 327.814 3.016 10 50 EGCA COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 242191388 XFCUYSHTBIFYJM-QZTJIDSGSA-N 340.423 3.131 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1 36359209 VKYDQNQLTWMILU-UHFFFAOYSA-N 349.434 3.149 10 50 EGCA CCO[C@@H](C)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 409894 PMJDTFSDLMPJPT-INIZCTEOSA-N 342.483 3.480 10 50 EGCA CCC(=S)/C=C1\Sc2ccccc2N1CCCS(=O)(=O)O 2913690 BATOTSHCIOGUJH-UVTDQMKNSA-N 343.495 3.498 10 50 EGCA CCOc1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1 215703 IPXNEWHDGKSGMB-UHFFFAOYSA-N 331.368 3.142 10 50 EGCA COc1ccc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)cc1 19789745 VIAFHOBTJRDQEJ-UHFFFAOYSA-N 341.363 3.361 10 50 EGCA biogenic C[C@@H]1CC(CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1 253427002 UJLSYDKKZHXGIS-VXGBXAGGSA-N 343.518 3.128 10 50 EGCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)c1 440954 SQHZJUSJAQEXHH-NTEUORMPSA-N 326.377 3.031 10 50 EGCA O=C(Cc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 67911082 LGOCUXHOBDBLKL-UHFFFAOYSA-N 344.842 3.036 10 50 EGCA CCc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@H]2C)nc1 244764057 PANQMHXRVTUDFR-MRXNPFEDSA-N 325.456 3.363 10 50 EGCA CSc1ccccc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 192213758 VJYYLUJHAWVPBI-AWEZNQCLSA-N 333.482 3.072 10 50 EGCA Oc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1O 217894762 WQIFRTBBSWPVEZ-UHFFFAOYSA-N 349.302 3.347 10 50 EGCA biogenic O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1cccc(O)c1 2997827 LKIPBIIDKGVITC-RIYZIHGNSA-N 340.360 3.173 10 50 EGCA Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 13672369 RPTSTOZAOZEREL-UHFFFAOYSA-N 344.480 3.215 10 50 EGCA COc1cc([N+](=O)[O-])cc(CN2CCCC[C@@H]2c2cccnc2)c1O 22078444 FNNQKVZPXDTDMJ-MRXNPFEDSA-N 343.383 3.431 10 50 EGCA COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] 32224703 JQZATGHGFCWJRP-XNTDXEJSSA-N 337.335 3.410 10 50 EGCA CC(C)CCN1C(=O)/C(=C2\SC(=S)N(C)C2=O)c2ccccc21 5907369 SKCWTWVMUFAWGQ-YPKPFQOOSA-N 346.477 3.281 10 50 EGCA CCOC(=O)[C@@H]1CCCN(Cc2cc(-c3ccccn3)ccc2O)C1 299765868 YRNHTWWVBPYKHS-MRXNPFEDSA-N 340.423 3.229 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2C)c1 6715853 HLYJYEBRBUGVFF-UHFFFAOYSA-N 326.396 3.093 10 50 EGCA c1ccc2c(c1)CC(N1CCC[C@H](NCc3ccc4c(c3)CCO4)C1)C2 20542249 NQBQWCUWNLYYJJ-NRFANRHFSA-N 348.490 3.343 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(F)c3)C2=O)cc1C 450921 HNUTXSQSBKVSKP-MHWRWJLKSA-N 338.338 3.109 10 50 EGCA O=C(O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2237759 LKWJDVJMIFOUHG-YFHOEESVSA-N 327.814 3.016 10 50 EGCA CC1(C)OC(=O)C(=CNc2ccc(Cl)cc2C(F)(F)F)C(=O)O1 215669 DEPIBZPKMREFBT-UHFFFAOYSA-N 349.692 3.491 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 381857 RWRCIEZMFAGSLD-UHFFFAOYSA-N 347.418 3.206 10 50 EGCA Cc1cc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c(C)n1-c1cccc(F)c1 253432760 NRJGMDCGIXXCPC-BBRMVZONSA-N 344.430 3.466 10 50 EGCA CC(=O)OCCNc1cc(C)c2noc3c2c1C(=O)c1ccccc1-3 2026155 OLQRDPQVVJYAOZ-UHFFFAOYSA-N 336.347 3.323 10 50 EGCA COc1c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)nn1C 115123057 WIUJLJSONDTGRP-UHFFFAOYSA-N 338.411 3.397 10 50 EGCA Nc1c(Cl)cc2c(c1Br)C(=O)c1ccccc1C2=O 3899444 ZFWJIKSKKWACEX-UHFFFAOYSA-N 336.572 3.460 10 50 EGCA in-vitro CC(C)COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cn1 1332883524 CCGVEPTVLWEKDN-UHFFFAOYSA-N 327.384 3.370 10 50 EGCA COc1cc2c(cc1OC)CN(Cc1ccc(N(C)C)cc1)CC2 292370 BIYNDLKTGNKIFB-UHFFFAOYSA-N 326.440 3.328 10 50 EGCA CCOc1cccc(CN2CCN(Cc3ccccc3)CC2)c1O 19633073 YVWMMPJEUFYCBE-UHFFFAOYSA-N 326.440 3.109 10 50 EGCA O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1cccc([N+](=O)[O-])c1 32654884 VEJUSIDJIMLSAK-KPKJPENVSA-N 331.378 3.329 10 50 EGCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@H]1CCCO1 299788617 VSHVAMYFJMJSFZ-MRXNPFEDSA-N 327.380 3.057 10 50 EGCA Oc1ccc2occ([C@@H](O)c3ccccc3)c2c1CN1CCOCC1 19339055 VCCKRONQOSFEHM-FQEVSTJZSA-N 339.391 3.052 10 50 EGCA COc1ccc([C@H](O)c2coc3ccc(O)c(CN(C)C)c23)cc1 4197720 IGMZSFPLLKGYRO-IBGZPJMESA-N 327.380 3.290 10 50 EGCA COc1ccc(O)c(CN2CCN(Cc3ccc(C)cc3)CC2)c1 19210281 KDNPHVDEJDWHQX-UHFFFAOYSA-N 326.440 3.027 10 50 EGCA biogenic CC(C)(C)c1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)CO3)c(O)c1 2325792794 MJUCCSWSOTUXFP-HNNXBMFYSA-N 347.455 3.145 10 50 EGCA COc1ccccc1N1C(=O)/C(=C/c2cccnc2)SC1=S 1136432 FSYIJQZGHVIQFL-ZROIWOOFSA-N 328.418 3.496 10 50 EGCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1215505 ZYGAWTWZLNYHJZ-VWLVURMCSA-N 335.450 3.450 10 50 EGCA Nc1ccc(CC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 237895364 FQPOGLXQAQWDAJ-MRXNPFEDSA-N 326.465 3.452 10 50 EGCA CCN(C)c1ccc(CN2CCCN(c3nc(C)ns3)CC2)cc1 225571960 IIDNFWHCEWLXBW-UHFFFAOYSA-N 345.516 3.015 10 50 EGCA C[C@H](C(=O)O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 841768993 XRJUSACTEMVUKN-UONOGXRCSA-N 327.380 3.203 10 50 EGCA O=C1OC2(CCCCC2)OC(=O)C1=Cc1occc1Br 2532431 FQKFKJJSNQNFOK-UHFFFAOYSA-N 341.157 3.186 10 50 EGCA Cc1ccc([C@@H](C)NC(=O)CNCc2ccc3c(c2)CCCO3)cc1 65386575 ILYPKTUIWVKYIV-MRXNPFEDSA-N 338.451 3.287 10 50 EGCA N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 15800249 ZVUOBPBAVBBWBV-WOSMYTDYSA-N 348.387 3.060 10 50 EGCA C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2F)C[C@@H](C)O1 229561098 BSOJTLGTRJEYFZ-BFYDXBDKSA-N 346.446 3.412 10 50 EGCA O=C(/C=C/c1cnc2ccccc2n1)N1CCCc2cccc(O)c21 155645739 ADSFCWMMUQCJDQ-ZHACJKMWSA-N 331.375 3.328 10 50 EGCA CCn1ccnc1CN1CCN(c2ccc(OC)cc2)C(C)(C)C1 72128363 GVWYCSCINFNIFH-UHFFFAOYSA-N 328.460 3.012 10 50 EGCA O=S(=O)(O)c1cc(Cl)cc(/N=N/c2ccc(O)cc2O)c1O 4946103 OTKYOGBGHUUFPC-CCEZHUSRSA-N 344.732 3.119 10 50 EGCA COc1ccc(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 55031468 UHPKBMWWACCYOL-UHFFFAOYSA-N 342.439 3.035 10 50 EGCA CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2O)C1 19594997 LSCYASZXPGHCDI-LJQANCHMSA-N 325.456 3.274 10 50 EGCA Cc1cc(C(=O)N2CCC2(C)C)c(C)n1-c1ccc2c(c1)OCCO2 1875260010 PNRHYXOFLTWWKL-UHFFFAOYSA-N 340.423 3.490 10 50 EGCA CN(C)CCOc1ccc(N(C)Cc2ccc3c(c2)COCC3)cc1 1875317869 LHXNIDOHMXMDRG-UHFFFAOYSA-N 340.467 3.336 10 50 EGCA Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)c1 1263317249 SJEZMTVPYMNHOA-ZDUSSCGKSA-N 345.418 3.466 10 50 EGCA COCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 2814171 VBRNMQXONBSLSQ-ATVHPVEESA-N 343.423 3.129 10 50 EGCA CC[C@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1O 156977393 SLJVFECNRJEJAN-KSSFIOAISA-N 337.423 3.232 10 50 EGCA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(C2CC2)cs1 152985811 ZTOKHIBQWLOAAV-SECBINFHSA-N 333.413 3.184 10 50 EGCA CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 966863 VMWUFJNJWBGKCB-UKTHLTGXSA-N 335.450 3.486 10 50 EGCA CSc1ccccc1C(=O)N1CCSC[C@@H]1c1cnn(C)c1 192213763 VJYYLUJHAWVPBI-CQSZACIVSA-N 333.482 3.072 10 50 EGCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)c1 8913810 SZRYJQCKVOJONX-XYOKQWHBSA-N 341.279 3.003 10 50 EGCA CC1=C[C@H](OC(C)(C)C)[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]2C1 252427929 KQBFSZVDTUWIAF-LEWSCRJBSA-N 330.380 3.243 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)cc2)c1 6715825 GAOUSZNFPSANFE-UHFFFAOYSA-N 326.396 3.093 10 50 EGCA CN(C)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 70871 MGPZONVMYHSLGN-YBEGLDIGSA-N 337.335 3.005 10 50 EGCA Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)o1 13350086 WPFZXSTYLAONIU-XFXZXTDPSA-N 339.438 3.434 10 50 EGCA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 4982461 FCQLAKKYURUXHB-QGZVFWFLSA-N 345.443 3.114 10 50 EGCA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc3c(c2)CCO3)nc1 12318449 OZFCMZHUJWKYJA-SFHVURJKSA-N 346.434 3.369 10 50 EGCA C[C@H](C(=O)O)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 841768991 XRJUSACTEMVUKN-KBPBESRZSA-N 327.380 3.203 10 50 EGCA COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 12412709 XKNIWNIEUYEFJN-WJDWOHSUSA-N 337.335 3.410 10 50 EGCA CCO[C@H](C)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 409895 PMJDTFSDLMPJPT-MRXNPFEDSA-N 342.483 3.480 10 50 EGCA C[C@@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccccc1O 67802948 GXBZBMIFHNTRDL-CYBMUJFWSA-N 337.379 3.185 10 50 EGCA Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 8997549 ILXHPAOQRLJXKG-UHFFFAOYSA-N 343.770 3.337 10 50 EGCA O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cccs1 49740500 IMQQIKSFFAMFIL-UHFFFAOYSA-N 336.482 3.217 10 50 EGCA C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C[C@@H](C)O1 18143175 KSHCHYOIEUKLGN-FGLUKDLVSA-N 336.844 3.420 10 50 EGCA Oc1ccc(Br)cc1CN1CCN(C2CCCC2)CC1 19362242 YULOTOQYRFNNBE-UHFFFAOYSA-N 339.277 3.215 10 50 EGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1nc2ccccc2n1C 100464023 HYKHDMTTXOOOJT-BZROSYFNSA-N 332.367 3.448 10 50 EGCA COc1cccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c1O 20992332 JNPWRXKHMZVBTD-QGZVFWFLSA-N 344.430 3.294 10 50 EGCA Cc1nn(C)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 2784026 RBGJHETUAJPMRB-XNTDXEJSSA-N 343.477 3.172 10 50 EGCA CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccccc1O 155288678 DUDZDUSZQLGDDO-CXAGYDPISA-N 348.468 3.102 10 50 EGCA Cc1nonc1N=NN(Cc1ccc(Cl)cc1)c1nonc1C 245328548 UWPCJJNRIJBRJF-UHFFFAOYSA-N 333.739 3.428 10 50 EGCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)NC2=O)o1 1204353 RXDAWEGESVIPNS-MDWZMJQESA-N 345.401 3.222 10 50 EGCA CSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 10113310 VPZLSDLQZCTMAX-UHFFFAOYSA-N 342.464 3.175 10 50 EGCA c1cc2c(cc1N1CCC(N3CC(N4CCCCC4)C3)CC1)CCC2 1506396846 KCSLDNWUMHBXGH-UHFFFAOYSA-N 339.527 3.314 10 50 EGCA CCOc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1O 11710119 HEYCAPKTFPWPTD-UHFFFAOYSA-N 346.471 3.062 10 50 EGCA CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2 19312743 AQYGNZYOSKRYSB-UHFFFAOYSA-N 337.261 3.201 10 50 EGCA biogenic O=C(O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 1214166 LKWJDVJMIFOUHG-JXMROGBWSA-N 327.814 3.016 10 50 EGCA CCNC(=O)c1ccc2c(c1SCC)C(=O)c1ccccc1C2=O 4581208 KBAQZLBJMRVNBV-UHFFFAOYSA-N 339.416 3.324 10 50 EGCA Cc1cc(C[C@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n[nH]1 1506402051 IGZNFVWMJVWCSL-HNNXBMFYSA-N 338.499 3.396 10 50 EGCA CC(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 87179 IKICXBRNLCTRJL-MRXNPFEDSA-N 337.335 3.074 10 50 EGCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(F)c1 17043054 ADIAHUJSBVIDEF-NTOUICHMSA-N 326.283 3.482 10 50 EGCA O=C(NCc1cccc(Cl)c1O)NC1CCC(OC(F)F)CC1 895254691 WWRKYCADMWJQSN-UHFFFAOYSA-N 348.777 3.395 10 50 EGCA COc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1OC 13987885 MBGGHHKMTKUEDD-KAMYIIQDSA-N 332.425 3.160 10 50 EGCA C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 252467595 UYQQXWVMVYWDFN-JMSVASOKSA-N 342.361 3.184 10 50 EGCA Cc1cc(NS(=O)(=O)c2sccc2Br)ccc1O 148620345 HICAOQUIXATYHI-UHFFFAOYSA-N 348.243 3.325 10 50 EGCA CN1CCC[C@@H]1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506417495 KRKRKRLBHZSBOO-HXUWFJFHSA-N 327.516 3.218 10 50 EGCA Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCO 4171176 QDUBOZBRAPZKDO-ZHACJKMWSA-N 345.402 3.349 10 50 EGCA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 16663122 UVAJLKAIXYYBTG-UHFFFAOYSA-N 332.831 3.376 10 50 EGCA Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C1=O 84205 NKCUHGFOPNRWOP-DHZHZOJOSA-N 341.279 3.003 10 50 EGCA COc1ccc(-c2ccc(CCC(=O)O)n2C[C@H]2CCCO2)cc1 4516931 WUTHILHWWWFWPW-QGZVFWFLSA-N 329.396 3.360 10 50 EGCA CCCCC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 4725384 UJNQIMFYTMXZSY-VOBDGNOHSA-N 328.397 3.202 10 50 EGCA COC(=O)c1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 199923 WTPAABRJSPIZGM-WJDWOHSUSA-N 336.343 3.463 10 50 EGCA CC[C@@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccccc2)c1C 822634259 FMSPNKZMVLGUPA-KRWDZBQOSA-N 336.439 3.499 10 50 EGCA CSc1c(C)ccc([C@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356166252 ZELKIMHALPEDLJ-CQSZACIVSA-N 343.404 3.204 10 50 EGCA CC[C@@H](c1nc(C)no1)n1ccnc1-c1ccc(O)c(CN(C)C)c1 77375442 YQHULDBTVSLIOM-HNNXBMFYSA-N 341.415 3.008 10 50 EGCA COc1ccc(OC)c(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c1 13534541 HIWNNXHGUUWDCK-HMHNVIDESA-N 346.452 3.406 10 50 EGCA COc1ccc([C@@H](O)c2coc3ccc(O)c(CN(C)C)c23)cc1 4197718 IGMZSFPLLKGYRO-LJQANCHMSA-N 327.380 3.290 10 50 EGCA COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1 444719 LXMDKDZKQNEHOO-BOPFTXTBSA-N 336.347 3.200 10 50 EGCA CCc1ccc(CN2CCN(Cc3cc(OC)ccc3O)CC2)cc1 19791496 BOTPDNCAIAJUID-UHFFFAOYSA-N 340.467 3.281 10 50 EGCA COc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 2628278 NWVFDMKYCLQRSX-UHFFFAOYSA-N 349.434 3.068 10 50 EGCA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 1269285 ATKORQIIELSXJL-ZROIWOOFSA-N 344.417 3.326 10 50 EGCA CCCCN1C(=O)/C(=C2\SC(=S)N(C)C2=O)c2ccccc21 12946388 KYVWXMHWZAFMAL-SEYXRHQNSA-N 332.450 3.035 10 50 EGCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 26771508 VLLOARWETXZASK-JLHYYAGUSA-N 335.450 3.315 10 50 EGCA COc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c(OC)c1 66702 BDVVBTCSXHHDPD-YBEGLDIGSA-N 346.452 3.406 10 50 EGCA COc1ccc(N2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 55543852 BHQFVEPSQCFCPG-UHFFFAOYSA-N 342.439 3.035 10 50 EGCA CCc1nnc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)s1 100161632 DJLALVCZBOBJFA-ZROIWOOFSA-N 341.440 3.436 10 50 EGCA CCN(CC)C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 170610919 APHUDCYMPWPPKS-UHFFFAOYSA-N 328.412 3.347 10 50 EGCA CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1 73709 LWFJDIDSRSLZTE-UHFFFAOYSA-N 349.408 3.016 10 50 EGCA CC[C@H](NCCc1nc(C)no1)c1cc(Br)ccc1O 156480593 CMGFVJVUZXXDDZ-LBPRGKRZSA-N 340.221 3.130 10 50 EGCA CCOc1cc(/C=C2/SC(S)=NC2=O)ccc1OC(=O)C1CC1 17072577 VXGLVJGCJVMOHS-MDWZMJQESA-N 349.433 3.301 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc4c(ccn4C)c3)CC2)cc1 36360285 FMDYEACJXZOTPP-UHFFFAOYSA-N 349.434 3.149 10 50 EGCA CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccccc1 25691066 PPQYRJAECCUYOP-YBEGLDIGSA-N 335.319 3.037 10 50 EGCA C[C@@H](c1ccccn1)N(C)C1CCN(c2ccc3c(c2)OCO3)CC1 952962770 HHHMCTJBQWWKEC-HNNXBMFYSA-N 339.439 3.472 10 50 EGCA Cc1nc(NC[C@H](N)c2ccc(N(C)C)cc2)c2c(C)csc2n1 842269474 CLADJIORZJPYRX-HNNXBMFYSA-N 341.484 3.486 10 50 EGCA CCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2300062 MNLCGDGTAGTHQV-SEYXRHQNSA-N 332.450 3.035 10 50 EGCA CN(C)c1ccc(/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 4118917 WNCXQEROKFAAEA-JQZIOSGWSA-N 330.438 3.265 10 50 EGCA Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)cc1 1186812 XDRGDNNFODLFNL-ZSOIEALJSA-N 342.376 3.116 10 50 EGCA Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 15723847 BVNQEEDUGPGRTP-AUWJEWJLSA-N 343.364 3.326 10 50 EGCA CCOc1cccc(CN(Cc2ccccc2)C[C@@H](C)CO)c1O 55182785 BEDGNMVTUWKYJS-MRXNPFEDSA-N 329.440 3.422 10 50 EGCA C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C1 67614202 PIYSVBZGTIEGFK-INIZCTEOSA-N 344.480 3.401 10 50 EGCA CN1CCN(c2ccc(CNC(=O)c3ccccc3Cl)cc2)CC1 49740653 AAKGZLBZNYTXQZ-UHFFFAOYSA-N 343.858 3.022 10 50 EGCA COc1ccc(N2CCN(c3cccc([C@H](C)O)n3)CC2(C)C)cc1 96153243 TUDMVRMUZSVVSD-HNNXBMFYSA-N 341.455 3.249 10 50 EGCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1 459258 ZNYBPOMVPNFNES-BENRWUELSA-N 326.739 3.006 10 50 EGCA CC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O 155074327 SGLMEVTXHQATAM-KRWDZBQOSA-N 328.412 3.331 10 50 EGCA COc1ccc(OC)c(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)c1 277097 UIWMXFDGUWNRJD-YFHOEESVSA-N 343.291 3.186 10 50 EGCA C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)C(=O)O 841768992 XRJUSACTEMVUKN-KGLIPLIRSA-N 327.380 3.203 10 50 EGCA Cc1nc(N)sc1-c1csc(Nc2ccc(O)c(C(=O)O)c2)n1 2860517 IEGVIRSLQSDXLE-UHFFFAOYSA-N 348.409 3.305 10 50 EGCA CN(C)c1ccc(Cc2ccc(N(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1729786 MFRGYAXJYOAYDE-UHFFFAOYSA-N 344.371 3.226 10 50 EGCA CC(=O)N1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 328600777 ZTZRLTLYZARHNV-UHFFFAOYSA-N 329.488 3.040 10 50 EGCA COc1ccc(N2CCN(C(=O)CCc3cccs3)[C@H](C)C2)cc1 72421475 KMLDQSWFMFWSCH-OAHLLOKOSA-N 344.480 3.427 10 50 EGCA Cc1nc(NC[C@@H](N)c2ccc(N(C)C)cc2)c2c(C)csc2n1 842269476 CLADJIORZJPYRX-OAHLLOKOSA-N 341.484 3.486 10 50 EGCA CCn1nc(C)c(CN(CCOC)Cc2cc(F)ccc2O)c1C 55252818 UHFCNGABRXJCGG-UHFFFAOYSA-N 335.423 3.013 10 50 EGCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(Sc2ccccc2)o1 8767189 AASFVLVHAXPEOP-UHFFFAOYSA-N 330.390 3.185 10 50 EGCA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c2nonc12 17072635 BMLJSGHFSDBTIB-SECBINFHSA-N 349.799 3.016 10 50 EGCA CCCCOC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 1750239 UHHKFYCVEJSSAX-RAXLEYEMSA-N 335.450 3.231 10 50 EGCA CCOC(=O)[C@H]1CCCN(Cc2cc(-c3cccnc3)ccc2O)C1 299786235 SCDQPSNUGRMHEV-KRWDZBQOSA-N 340.423 3.229 10 50 EGCA CC(/C=C1\SC(=S)N([C@H](C)C(=O)O)C1=O)=C\c1ccccc1 2532882 VPOZDTXBXSBCDW-PJUDCECBSA-N 333.434 3.307 10 50 EGCA O=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1 114704 YSDWBGNWIWSVKO-UHFFFAOYSA-N 346.452 3.179 10 50 EGCA Cc1nc(-c2coc3c(C)c(O)c(CN(C)C)cc3c2=O)cs1 138820 QNSAWFMCJZBAKR-UHFFFAOYSA-N 330.409 3.301 10 50 EGCA biogenic CCOc1cccc(N2C(=O)/C(=C/c3ccco3)C(O)=NC2=S)c1 114640 MLDNPPVULZTXCG-GXDHUFHOSA-N 342.376 3.350 10 50 EGCA Cc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 1187969 DSYUHLFGNFCTBN-FSBNRTBOSA-N 335.450 3.305 10 50 EGCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c([C@@H]3CCCC3=O)c2)cc1 5214456 BUZHMYYNMRXSBL-HNNXBMFYSA-N 345.420 3.338 10 50 EGCA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\C=C\c1ccco1 15837509 FLHSBPLXENYFQO-AVFBQEPNSA-N 332.718 3.090 10 50 EGCA CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 102556 JBYQCHQCGWMKCN-INIZCTEOSA-N 337.335 3.074 10 50 EGCA CCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 12339163 SBVXHCSICWCEJP-POHAHGRESA-N 344.255 3.337 10 50 EGCA Cc1ccc2nc(NC3=N[C@H](c4ccccc4)CC(=O)N3)nc(C)c2c1 19905367 ZGZOYBMDKMGXOR-KRWDZBQOSA-N 345.406 3.276 10 50 EGCA Cc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 207341975 NKDUEKMILMQTRX-OQLLNIDSSA-N 326.783 3.418 10 50 EGCA CC(C)(C)c1cc(CN2CCN(CCO)CC2)c(O)c(C(C)(C)C)c1 22916882 VDTYKZHFCIMEIL-UHFFFAOYSA-N 348.531 3.097 10 50 EGCA O=C(c1cccc(O)c1O)N1CCC(Oc2ccc(F)cc2F)CC1 192986458 OJGBLKUHRAXFJL-UHFFFAOYSA-N 349.333 3.060 10 50 EGCA CC1(C)OC(=O)C(=Cc2ccc(Nc3ccc(F)cc3)o2)C(=O)O1 2532410 NMPMDEUGKFEVAR-UHFFFAOYSA-N 331.299 3.382 10 50 EGCA Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccccc3)SC2=S)n1 2904050 DKHPZPWRVCNZKY-LCYFTJDESA-N 342.449 3.322 10 50 EGCA CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)N=C1S 202847 SKJLXRJWQHETDB-QINSGFPZSA-N 329.469 3.474 10 50 EGCA aggregator CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)O)C1=O 6455560 VPOZDTXBXSBCDW-LHLDWNAVSA-N 333.434 3.307 10 50 EGCA COc1ccc(O)c(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c1 19720887 UAJUBANLYREQBU-IBGZPJMESA-N 340.467 3.497 10 50 EGCA Cc1cnc(OC(C)C)c(NC(=O)N2Cc3cccc(O)c3C2)c1 931583542 MRSFDQOKPWSOIW-UHFFFAOYSA-N 327.384 3.431 10 50 EGCA Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O 3880275 FWEQPMZEKHHFTB-UHFFFAOYSA-N 342.354 3.297 10 50 EGCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccccc1 1857666688 ZNYBPOMVPNFNES-UHFFFAOYSA-N 326.739 3.006 10 50 EGCA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccco1 313373 JMCXIJDCMYOJES-LGMDPLHJSA-N 337.375 3.195 10 50 EGCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 966976 ZEHMKIXTESILQT-LOBLAWFCSA-N 327.814 3.014 10 50 EGCA CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 22135424 JCSWJOCTOBNPPB-ATVHPVEESA-N 331.375 3.123 10 50 EGCA Cc1ccc(O)c(CN2CCC(n3cc(-c4ccccn4)nn3)CC2)c1 23339920 URGASTXARAAQJB-UHFFFAOYSA-N 349.438 3.191 10 50 EGCA Cc1ccc(C)c(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)c1 4980538 BWTHANIRQQBTEV-UHFFFAOYSA-N 341.411 3.239 10 50 EGCA N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S1 16385920 SSSQHOCONOGRSG-WUXMJOGZSA-N 348.767 3.437 10 50 EGCA COc1ccccc1[C@@H](NC(C)=O)c1c(O)ccc2ccc(O)cc12 319174 XPAPMGLCUGKXJM-HXUWFJFHSA-N 337.375 3.485 10 50 EGCA Oc1ccc(F)cc1CN(CCCn1ccnc1)Cc1ccncc1 55119800 ADXIQEPEUQRBJB-UHFFFAOYSA-N 340.402 3.215 10 50 EGCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1C(=O)O 15930686 FKRRHOOTCPNQDI-GDNBJRDFSA-N 339.326 3.242 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)cc1 49740534 SMVWJPJVFJWZSF-UHFFFAOYSA-N 345.830 3.498 10 50 EGCA COc1ccc(CN[C@@H]2CCS(=O)(=O)c3ccccc32)cc1C 225405807 NMIFKCPZANGUQT-MRXNPFEDSA-N 331.437 3.012 10 50 EGCA CCc1nnc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)s1 223247825 HEXTULJRCNTIQQ-WQLSENKSSA-N 347.831 3.472 10 50 EGCA Cc1cc(NS(=O)(=O)CCC2Cc3ccccc3C2)ccc1O 253433213 UDHKTFSRDLCISF-UHFFFAOYSA-N 331.437 3.247 10 50 EGCA Cc1c(CCNC(=O)[C@@H]2CCC[C@H](O)C2)c2cccc3c2n1CCC3 1565515067 FAVKLLVRUKKPNQ-SJORKVTESA-N 340.467 3.106 10 50 EGCA O=C(c1ccco1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 4292071 WIYFQNKIVFKELN-INIZCTEOSA-N 333.347 3.372 10 50 EGCA COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCCO3)CC2(C)C)cc1 91915113 UPWGQZJGDOEVOQ-HXUWFJFHSA-N 346.471 3.082 10 50 EGCA O=C(Nc1ccccc1)C1CCN(Cc2cc(F)ccc2O)CC1 179889957 KZJDWDVOBBBTQH-UHFFFAOYSA-N 328.387 3.382 10 50 EGCA COc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1OC 894497819 AUNVPQYJYFDAAY-CQSZACIVSA-N 331.416 3.086 10 50 EGCA O=C1c2ccccc2C(=O)N1Cc1cc(Cl)c2cccnc2c1O 2875238 ZPSCQRPCVIBHLM-UHFFFAOYSA-N 338.750 3.390 10 50 EGCA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1C(F)F 935309305 AYBVKVTUUCUUQM-MRVPVSSYSA-N 327.352 3.458 10 50 EGCA CCOCc1cc(CN[C@@H]2COc3ccccc3C2)ccc1OC 19730753 MZDAFRGLCXOUIV-SFHVURJKSA-N 327.424 3.325 10 50 EGCA CC(=O)c1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 55031699 AMLRZERTGXODRJ-UHFFFAOYSA-N 337.467 3.277 10 50 EGCA COc1ccc([N+](=O)[O-])cc1[C@H]1NN=C(c2ccccc2O)S1 13130708 WYXCCDJTQMMJFW-HNNXBMFYSA-N 331.353 3.006 10 50 EGCA COc1ccccc1[C@H](NC(C)=O)c1c(O)ccc2ccc(O)cc12 319173 XPAPMGLCUGKXJM-FQEVSTJZSA-N 337.375 3.485 10 50 EGCA CCCCN1CCCc2cc(CNCCCN3CCOCC3)ccc21 32919777 ZLIYXCYYCFHTPN-UHFFFAOYSA-N 345.531 3.051 10 50 EGCA COc1cc(N2CCN([C@H](C)c3ccco3)CC2)cc(OC)c1OC 170602828 DUWMOWFLDZJSCS-CQSZACIVSA-N 346.427 3.189 10 50 EGCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1220068 DOTHHFGGTSRPGO-SEVUFMINSA-N 339.413 3.136 10 50 EGCA C[C@H]1CCCN(c2ccc(CNC(=O)CCCc3cn[nH]c3)cc2)C1 97475515 IFLJHQVWFQQWKH-INIZCTEOSA-N 340.471 3.285 10 50 EGCA COc1ccc(CN2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 8315572 BEQLFJJWRLAPPW-DHDCSXOGSA-N 342.445 3.492 10 50 EGCA CC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 4060779 XVXIEQUZESIWPK-UHFFFAOYSA-N 338.359 3.485 10 50 EGCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c([C@H]3CCCC3=O)c2)cc1 5214457 BUZHMYYNMRXSBL-OAHLLOKOSA-N 345.420 3.338 10 50 EGCA CN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N(C)C1=O 4713728 FISKUGJNKLCJLN-UHFFFAOYSA-N 344.754 3.034 10 50 EGCA NC1=CC=C(O)[C@@H]2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@H]12 25691975 PZPYTMCCNSGMNY-WBVHZDCISA-N 348.358 3.045 10 50 EGCA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 4950406 PCUFWOHPVHWOTL-UHFFFAOYSA-N 342.760 3.063 10 50 EGCA O=[N+]([O-])c1ccc(O)c(CN2CCN(c3ccccc3Cl)CC2)c1 4980522 YTDPQVUOOVVVNI-UHFFFAOYSA-N 347.802 3.276 10 50 EGCA COc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1O 55292164 NADZVEJGXVKJBX-UHFFFAOYSA-N 332.831 3.376 10 50 EGCA CCOC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 966786 JCDIJYDWADOOGZ-XFFZJAGNSA-N 341.841 3.104 10 50 EGCA Cc1cnc(C)c(-c2ccc(O)c(CNCCc3ccccn3)c2)n1 299771034 YOGMEROXCKRFLN-UHFFFAOYSA-N 334.423 3.193 10 50 EGCA COc1ccc(N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 859279 ROWUXVNFTBBAIN-NYYWCZLTSA-N 340.398 3.196 10 50 EGCA O=C(O)c1cccn1C1CCN(Cc2ccc(Cl)cc2O)CC1 1875273145 BHXUIGANKUTWOO-UHFFFAOYSA-N 334.803 3.382 10 50 EGCA Cn1cc([C@@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2)cn1 187518278 NRZQNGGRNRKQAB-FQEVSTJZSA-N 337.398 3.373 10 50 EGCA Cc1cc(C[C@@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n[nH]1 1506402053 IGZNFVWMJVWCSL-OAHLLOKOSA-N 338.499 3.396 10 50 EGCA O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 13667693 LHUXXFOCEHWMAF-UHFFFAOYSA-N 348.443 3.046 10 50 EGCA Cc1ccc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)s1 15798895 MUGBSZHJWSFDDT-UVTDQMKNSA-N 342.445 3.230 10 50 EGCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccco1 4578313 NPUVQCOAWOJSFC-VGOFMYFVSA-N 345.401 3.410 10 50 EGCA COc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 13799448 SMCNOSKTXTYUQD-DHDCSXOGSA-N 328.393 3.427 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 966858 NUQFKDQDRDRLHV-FLIBITNWSA-N 341.841 3.406 10 50 EGCA COc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 4868903 UMHRKCXTSVVXOB-GXDHUFHOSA-N 328.418 3.496 10 50 EGCA Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113431 KMBPCSHXBNIYMM-UHFFFAOYSA-N 338.451 3.081 10 50 EGCA Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1 44126988 RPAPXEDQFIMNLB-UHFFFAOYSA-N 338.480 3.243 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16310465 QQSOHHXEKGNSCC-VEJZVKIUSA-N 333.434 3.309 10 50 EGCA c1cc2c(cc1N1CCC(NCc3noc(C4CC4)n3)CC1)CCC2 820425471 IGWNQDIRAILMHG-UHFFFAOYSA-N 338.455 3.194 10 50 EGCA C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(=O)O 833547324 BFMSRKTXWSDTHA-KBRIMQKVSA-N 339.391 3.203 10 50 EGCA CC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 270227 ZURFVLHJCDOQBK-GOSISDBHSA-N 335.407 3.232 10 50 EGCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 446952 SZVJCAPCQJGOBE-FMIVXFBMSA-N 333.174 3.455 10 50 EGCA C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cc(F)ccc1O 293691801 LEWRUSRSQZJOHQ-CQSZACIVSA-N 330.403 3.219 10 50 EGCA COc1ccc(N[C@@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1 12304414 UOTSGWCBJIWXAS-MRXNPFEDSA-N 342.439 3.486 10 50 EGCA COc1ccc(N2CCN(Cc3ncccc3F)CC2(C)C)cc1 72165566 AYCSAULAUSHBIO-UHFFFAOYSA-N 329.419 3.330 10 50 EGCA Cc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1 14011063 MCGUHWNXFONWKF-GZTJUZNOSA-N 334.375 3.278 10 50 EGCA O=S(=O)(Nc1ccc(O)c(Br)c1)c1cccs1 73730 QTQBUEYNRHGFAF-UHFFFAOYSA-N 334.216 3.017 10 50 EGCA O=C(Nc1ccccc1O)C1CCN(Cc2cc(F)ccc2O)CC1 179891201 ATKYUDOFHFIQKO-UHFFFAOYSA-N 344.386 3.088 10 50 EGCA CN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=O 16309555 DKABTDRDWKDHBV-WJDWOHSUSA-N 345.358 3.177 10 50 EGCA Oc1cc(Br)ccc1CNC[C@@]1(O)CCc2ccccc21 825370716 PQJBQWGJGTZQFF-KRWDZBQOSA-N 348.240 3.078 10 50 EGCA CC[C@H](CO)N(Cc1ccccc1C)Cc1c(O)cccc1OC 63833339 VNELUZLLALUZOO-QGZVFWFLSA-N 329.440 3.482 10 50 EGCA COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 100716651 FORNBRFRDATBQZ-IBGZPJMESA-N 347.422 3.409 10 50 EGCA CC(=O)Nc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100497964 QVEQGXSILYWOOR-LDADJPATSA-N 334.379 3.364 10 50 EGCA C[C@H](c1ccccn1)N(C)C1CCN(c2ccc3c(c2)OCO3)CC1 952962772 HHHMCTJBQWWKEC-OAHLLOKOSA-N 339.439 3.472 10 50 EGCA CN1CCC[C@H]1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506417494 KRKRKRLBHZSBOO-FQEVSTJZSA-N 327.516 3.218 10 50 EGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)o1 432732 SRMIPMNDSRGKDD-MDWZMJQESA-N 346.795 3.073 10 50 EGCA Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cnn1C 2743713 AHOKBNURRAORRJ-RIYZIHGNSA-N 329.450 3.130 10 50 EGCA Nc1ccc(CC(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc1 238076272 VUYCXUSJTSTXRS-UHFFFAOYSA-N 333.395 3.113 10 50 EGCA O=C1N=C(N2CCOCC2)S/C1=C\c1c(Cl)cccc1Cl 13633083 IIYQOSQAHZSRFD-WQLSENKSSA-N 343.235 3.296 10 50 EGCA COc1ccc(N2CCN(Cc3ccncc3Cl)[C@@H](C)C2)cc1 215478275 PKGAYZSMHRKKTF-AWEZNQCLSA-N 331.847 3.454 10 50 EGCA Cc1cc(=O)oc2c(CN3C[C@H](C)O[C@H](C)C3)c(O)c(Cl)cc12 13125331 SAJYOPWDHYJDOJ-PHIMTYICSA-N 337.803 3.070 10 50 EGCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1cccc3cccnc13)C(=O)C2=O 6760243 JLGLQCSANJATHP-UXHICEINSA-N 337.375 3.105 10 50 EGCA Cc1cc(CNC(=O)c2c(Cl)nc3ccccn23)ccc1N(C)C 110794797 PIXHDFLFVPNBFJ-UHFFFAOYSA-N 342.830 3.292 10 50 EGCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 72236 FZEDPVSGOPKZDD-WOJGMQOQSA-N 331.375 3.428 10 50 EGCA CN(C)c1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19201869 UAHWOSWEAZXHNL-FOWTUZBSSA-N 345.468 3.232 10 50 EGCA OC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2ccccc2O)C1 19745466 JOKQGLRNCWBTIA-FQEVSTJZSA-N 329.415 3.349 10 50 EGCA COc1cccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1 5046760 WMJWPBVTUWGCNO-GZTJUZNOSA-N 336.347 3.200 10 50 EGCA O=C(O)[C@H](c1ccc2ccccc2c1O)N1Cc2ccccc2C1=O 2356167553 SFJVUXDROLHEBX-KRWDZBQOSA-N 333.343 3.327 10 50 EGCA COc1cccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1OC 88722 BQNAGNASGSDMJM-PTNGSMBKSA-N 346.452 3.406 10 50 EGCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1Cl 4502140 DNSDAHRIXOHAQY-ZSOIEALJSA-N 330.746 3.249 10 50 EGCA Oc1ccc(Br)cc1CN1CCN(c2ccccc2)CC1 55065548 BMCQLHKTRNIJJR-UHFFFAOYSA-N 347.256 3.477 10 50 EGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1 14011222 PWLMIFFSEPMRJG-NTEUORMPSA-N 344.729 3.146 10 50 EGCA CC[C@H](C)n1nccc1S(=O)(=O)Nc1ccc(O)cc1Cl 1875281263 YRRXVNRSAOFVKX-VIFPVBQESA-N 329.809 3.014 10 50 EGCA Oc1ccccc1CN1CCC(n2cc(Cc3ccccc3)nn2)CC1 23338189 XIRQWFKROUPDKB-UHFFFAOYSA-N 348.450 3.412 10 50 EGCA CC(C)(CC(=O)NCc1ccc(O)c(O)c1)CC(=O)c1ccccc1 252500426 SVKKBSNZHCRSKT-UHFFFAOYSA-N 341.407 3.403 10 50 EGCA CCOc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1 55292006 UDUFXXPTEYCARI-UHFFFAOYSA-N 342.439 3.122 10 50 EGCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5835105 DOTHHFGGTSRPGO-VNKGSWCUSA-N 339.413 3.136 10 50 EGCA O[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCN(c2ccc3c(c2)CCC3)CC1 1506423262 GTSKVZRLNPPVMA-AERCQKQUSA-N 326.484 3.132 10 50 EGCA COc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1 196297 SLEKJWUWRHCCCD-UHFFFAOYSA-N 327.453 3.214 10 50 EGCA Nc1c(Cl)cc(Br)c2c1C(=O)c1ccccc1C2=O 4991544 PINKGGXMEQRISA-UHFFFAOYSA-N 336.572 3.460 10 50 EGCA CC[C@@H](NCCc1ccnn1C)c1cc(Br)ccc1O 158119676 DYEMUGNPSMBYOK-CQSZACIVSA-N 338.249 3.172 10 50 EGCA O=S(=O)(Nc1ccccc1Cl)c1cccc2nsnc12 6742011 GGDWHZXSMXJIIA-UHFFFAOYSA-N 325.802 3.146 10 50 EGCA CN(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 190735 JLBPOYFNHCRMOX-WJDWOHSUSA-N 337.335 3.005 10 50 EGCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1 228864 JOMFAVOGAJWDRD-XYOKQWHBSA-N 348.836 3.233 10 50 EGCA O=C(O)c1cc(F)cc2c1CCN(Cc1cccc(Cl)c1O)C2 1857530100 SNOWTJQEOHDULA-UHFFFAOYSA-N 335.762 3.441 10 50 EGCA CCOc1cccc(CN(Cc2ccccc2)C[C@H](C)CO)c1O 55182786 BEDGNMVTUWKYJS-INIZCTEOSA-N 329.440 3.422 10 50 EGCA CCc1nnc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)s1 100161641 QDAAULQQCYQXQV-WQLSENKSSA-N 347.831 3.472 10 50 EGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(N(C)C)cc1 120633 RZBPKCBPGUDTSQ-BOPFTXTBSA-N 342.439 3.081 10 50 EGCA O=S(=O)(Cc1ccccc1F)NCc1ccc(N2CCCC2)cc1 10113673 ACJYYQOXIMQWAT-UHFFFAOYSA-N 348.443 3.046 10 50 EGCA O=S(=O)(Nc1cccc(Cl)c1)c1cccc2nsnc12 223856 HXBPQVQXFYMJNV-UHFFFAOYSA-N 325.802 3.146 10 50 EGCA O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC2(CCCC2)O1 895620056 PWDNPDBWEGSWII-CYBMUJFWSA-N 338.835 3.337 10 50 EGCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1O 92205 NDLKFPMNNCWJOC-UHFFFAOYSA-N 334.368 3.037 10 50 EGCA CC(/C=C1\SC(=S)N(CCC(=O)O)C1=O)=C\c1ccccc1 12342798 CVENVXMOOBHCIX-QXGKOBNPSA-N 333.434 3.309 10 50 EGCA CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 239869302 CYAUGAJMAFPIBR-CYBMUJFWSA-N 341.407 3.356 10 50 EGCA O=C1NC(=S)S/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5016052 SABULMXRLVWFRN-LCYFTJDESA-N 349.437 3.074 10 50 EGCA Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 13672040 PFPWWOHJSQHYPJ-UHFFFAOYSA-N 344.480 3.215 10 50 EGCA CN(Cc1ccon1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O 19743735 CANWTPSPWBMMBJ-UHFFFAOYSA-N 338.363 3.408 10 50 EGCA O=C(c1cccs1)c1coc2ccc(O)c(CN3CCOCC3)c12 19774905 NVWSJWSOOJSTJK-UHFFFAOYSA-N 343.404 3.263 10 50 EGCA CN(C)c1ccc2c(c1)CCN2S(=O)(=O)/C=C/c1ccc(F)cc1 1875365392 UXCBOUVVIXMMRM-ZRDIBKRKSA-N 346.427 3.255 10 50 EGCA CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)NC1=O 22033059 QWMYXNBUPLHMFL-ZROIWOOFSA-N 336.482 3.420 10 50 EGCA Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\NC(O)=NC2=O)c1C 13785601 MBIXXZHUJVLWHK-ZSOIEALJSA-N 329.787 3.441 10 50 EGCA Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 68512967 OSJIBRYKYAJWMT-KRWDZBQOSA-N 338.451 3.252 10 50 EGCA CCOc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 237322 PYAWLXXHGVOIOR-UHFFFAOYSA-N 326.440 3.416 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 1227681 QQSOHHXEKGNSCC-BHDALRANSA-N 333.434 3.309 10 50 EGCA COc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 474875 UIFDPGPAALMOQG-UHFFFAOYSA-N 348.805 3.450 10 50 EGCA CN(C)/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100255253 CJZBLACDLAMRMR-BQYQJAHWSA-N 340.330 3.007 10 50 EGCA Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1cc(F)ccc1F 5925949 OIVNSVZQIXTBOQ-UHFFFAOYSA-N 348.378 3.465 10 50 EGCA CC(C)CC(=O)N1CCC(NCc2cc(Cl)cc(F)c2O)CC1 1308243761 TYGDEVMOKMZZSK-UHFFFAOYSA-N 342.842 3.311 10 50 EGCA CCOc1ccc(N2C(=O)/C(=C/c3ccco3)C(O)=NC2=S)cc1 229378 RECXNVIDPLENGY-GXDHUFHOSA-N 342.376 3.350 10 50 EGCA CCOCc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OC 284907134 HVXMBTFXFMROIL-AZUAARDMSA-N 342.439 3.247 10 50 EGCA CSc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 122095 MGPRSQWAHVFSEH-PTNGSMBKSA-N 338.388 3.075 10 50 EGCA O=[N+]([O-])c1cccc(/N=N/N(CCO)c2cccc([N+](=O)[O-])c2)c1 100518783 ZVOPJDWEKZVJSF-FOCLMDBBSA-N 331.288 3.001 10 50 EGCA CCN(CC)c1ccc(CNC(=O)c2cnn3c2CCCC3)cc1F 128153509 IPWDWBMAHDTVNI-UHFFFAOYSA-N 344.434 3.135 10 50 EGCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 3877759 IGEDVNBXZOPMBY-UHFFFAOYSA-N 344.348 3.254 10 50 EGCA CC[C@@H](NC[C@]1(O)CCSC1)c1cc(Br)ccc1O 156202489 ZNHCISIFMADZLR-TZMCWYRMSA-N 346.290 3.063 10 50 EGCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(F)c3)C2=O)cc1 4704222 UHGZKRQYAJSXLV-WJDWOHSUSA-N 338.338 3.055 10 50 EGCA CCc1cccc2c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c[nH]c12 1155599 GBEPXLGIPYCENK-WUXMJOGZSA-N 346.433 3.016 10 50 EGCA C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(C)c(C)c1 2700356 AZZNBYKDQQUSRP-KAMYIIQDSA-N 335.450 3.369 10 50 EGCA COc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 5007290 QOELXJXGYNWZIH-LFIBNONCSA-N 337.335 3.410 10 50 EGCA COc1ccc(CN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 4706837 YFRJPLYVHBNASC-GDNBJRDFSA-N 342.445 3.492 10 50 EGCA CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1 50426 BCJIEYZMVXAMKO-XMHGGMMESA-N 349.434 3.303 10 50 EGCA O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(F)cc1 443163 IMNNWUBWYYHPQW-UHFFFAOYSA-N 346.177 3.095 10 50 EGCA N=C1/C(=C/c2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 5101987 WGJZKQFFCYYIRA-JCOXHHPGSA-N 332.388 3.354 10 50 EGCA Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 14010724 DLWCWXLWJBKQEF-XYOKQWHBSA-N 346.795 3.376 10 50 EGCA O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3ccccc3[nH]c21 4253316 BARVYLKNIVAHDY-UHFFFAOYSA-N 325.323 3.457 10 50 EGCA biogenic COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)c(O)c1 277717 UQOYTGPFWZZYLX-UHFFFAOYSA-N 326.440 3.340 10 50 EGCA CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(F)cc2)SC1=S 2113002 JFOGJEHTNMMNJT-GHXNOFRVSA-N 333.413 3.437 10 50 EGCA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c1 55292051 UTPSIPRNMRTGSG-UHFFFAOYSA-N 332.831 3.376 10 50 EGCA Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 13647004 BHEWHKDWWQSXIE-UHFFFAOYSA-N 344.480 3.215 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(C)c2)c1 12651370 QQXHVNSURRBRLE-UHFFFAOYSA-N 340.423 3.401 10 50 EGCA CC(C)(C)c1cnc(S[C@@H]2CCN(C3CCOCC3)C2=O)s1 253423827 GJNNYRSGFAPUTA-GFCCVEGCSA-N 340.514 3.313 10 50 EGCA CCCc1c(C(=O)NCc2cc(O)ccc2O)cnn1C1CCCC1 1471661611 VIICYBPGZVKNJU-UHFFFAOYSA-N 343.427 3.292 10 50 EGCA Cc1ccccc1C(=O)NC1CCN(Cc2cccc(C)c2O)CC1 179687164 UBBQBHPAZDKMLO-UHFFFAOYSA-N 338.451 3.403 10 50 EGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 239296964 DNJCOYQCPWJMLI-TXPWEPMLSA-N 330.453 3.144 10 50 EGCA C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 164517356 KAPVPBQICOONPH-ZBFHGGJFSA-N 333.476 3.413 10 50 EGCA O=C(O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 4992246 SIRMBVOKJSHEEF-UVTDQMKNSA-N 326.739 3.211 10 50 EGCA Cn1ncnc1CNc1ccc(Cl)cc1C(=O)c1ccccc1F 192589878 HOUFEHVHZJVDRC-UHFFFAOYSA-N 344.777 3.451 10 50 EGCA COc1ccc(CNCC2(C)CCCCC2)cc1Cn1cncn1 952862172 MZAWXJNWSKPPGT-UHFFFAOYSA-N 328.460 3.395 10 50 EGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCC(C)C 4679029 UKPILVUTBNJSFQ-FOWTUZBSSA-N 330.388 3.227 10 50 EGCA COCCOc1c(Cl)cccc1NC(=O)Cc1ccc(N)cc1 170677516 PYXWWZQQBSXDOL-UHFFFAOYSA-N 334.803 3.129 10 50 EGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCc1cccs1 18037424 LAIBYLOOLVVBTK-GDNBJRDFSA-N 342.380 3.053 10 50 EGCA CCOc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1O 51988 OULMASHEVZYKOF-WJDWOHSUSA-N 346.452 3.493 10 50 EGCA Cc1cc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(C)n1-c1ccccn1 241262045 LAWTZSJBEWEXOL-BMGDILEWSA-N 340.423 3.459 10 50 EGCA Oc1ccc(Br)cc1[C@@H]1NCC[C@@]2(O)CCCC[C@H]12 43157549 XJNHERYXWJGEHS-SNPRPXQTSA-N 326.234 3.110 10 50 EGCA C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 164517052 KAPVPBQICOONPH-GOEBONIOSA-N 333.476 3.413 10 50 EGCA CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 239869303 CYAUGAJMAFPIBR-ZDUSSCGKSA-N 341.407 3.356 10 50 EGCA COc1cc(-c2nc(O)c3cc4c(cc3n2)CCCC4)cc(O)c1O 2325783291 KWQZVBQQRZUXHO-UHFFFAOYSA-N 338.363 3.301 10 50 EGCA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1C 2887113 OCQUIEZBSCCOLA-UHFFFAOYSA-N 349.408 3.125 10 50 EGCA Oc1c(Cl)cccc1CNc1nc(C2CCOCC2)ns1 897391973 HZQLIFXYWINHCW-UHFFFAOYSA-N 325.821 3.403 10 50 EGCA O=C(O)CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 1216048 MIKAHYVSSIAFAM-RUDMXATFSA-N 348.232 3.279 10 50 EGCA Oc1ccc(Br)cc1[C@@H]1NCC[C@]2(O)CCCC[C@H]12 248095288 XJNHERYXWJGEHS-VHDGCEQUSA-N 326.234 3.110 10 50 EGCA CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C=C(C)C 408515255 SRPWIJCEBUXXBK-UHFFFAOYSA-N 332.444 3.341 10 50 EGCA Cc1ccc2nc(NC3=N[C@@H](c4ccccc4)CC(=O)N3)nc(C)c2c1 19905365 ZGZOYBMDKMGXOR-QGZVFWFLSA-N 345.406 3.276 10 50 EGCA CC(C)C1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 4651423 DXYNAIBXUFSKBP-UZIRPGAUSA-N 337.408 3.443 10 50 EGCA Cc1nc(N)sc1-c1csc(Nc2ccc(C(=O)O)c(O)c2)n1 2861163 NPCAOLGLTUVKGG-UHFFFAOYSA-N 348.409 3.305 10 50 EGCA C/C(=C1\SC(=S)N(CCC(=O)O)C1=O)c1ccc(Cl)cc1 2510380 CSGAKQZSIYALLZ-XYOKQWHBSA-N 341.841 3.406 10 50 EGCA O=S(=O)(c1ccc(Cl)c2nonc12)N1CCCc2ccccc21 17072634 NSEBXVLZPGZGSV-UHFFFAOYSA-N 349.799 3.018 10 50 EGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 2930619 NYQCRFFOZATJJX-GXDHUFHOSA-N 326.739 3.006 10 50 EGCA CC(C)(C)N1C(=O)NC(=O)/C(=C\c2c(Cl)cccc2Cl)C1=O 192702 VNFYPFMHIXJORP-VQHVLOKHSA-N 341.194 3.254 10 50 EGCA CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 324332 LMKDNNMPFCUKBE-QGOAFFKASA-N 349.459 3.303 10 50 EGCA CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(N)C1=O 15016274 WGZLNRWZAVSGGX-ZROIWOOFSA-N 330.434 3.313 10 50 EGCA COc1ccc(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c(OC)c1 12417773 LJVUOLOTIYCBAX-RGZVIEDOSA-N 346.452 3.406 10 50 EGCA CCCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 106985 RZVWCRIFXQSQIA-JADYNCEHSA-N 341.440 3.172 10 50 EGCA OC[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2ccccc2O)C1 19745464 JOKQGLRNCWBTIA-HXUWFJFHSA-N 329.415 3.349 10 50 EGCA Cc1cc(C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C)n1-c1ccccn1 126537877 LAWTZSJBEWEXOL-FHLIZLRMSA-N 340.423 3.459 10 50 EGCA CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 470641 BZKZFMMSXHQECA-UHFFFAOYSA-N 335.787 3.389 10 50 EGCA COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S 2832342 SQMPCYRUSGBSIS-QINSGFPZSA-N 348.493 3.134 10 50 EGCA COc1ccc(O)c(CN2CCN(Cc3ccccc3Cl)CC2)c1 20807377 JJOTWMFMADDLMQ-UHFFFAOYSA-N 346.858 3.372 10 50 EGCA CC1(C)C[C@@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1F 216072972 DCBYALXZPUTFDP-IBGZPJMESA-N 329.371 3.221 10 50 EGCA Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c(O)c1O 182477680 IZUSDICTRYORSU-CQSZACIVSA-N 329.371 3.250 10 50 EGCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1c(Cl)cccc1Cl 462529 HLAPVQGROROZMJ-YFHOEESVSA-N 326.179 3.296 10 50 EGCA O=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O 572784 XAABHYRVSYKXSV-UHFFFAOYSA-N 343.360 3.044 10 50 EGCA Cc1nn(C)cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 2784059 NZBAIPNQIZHRDS-RIYZIHGNSA-N 329.450 3.130 10 50 EGCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)NC2=S)cc1 447560 NQROKIKZGKZYIB-LFIBNONCSA-N 336.416 3.135 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 975594 NCILNNGPOXLNPV-JYRVWZFOSA-N 346.433 3.234 10 50 EGCA COc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O 23281895 FBZCIJLCORZAHV-RMKNXTFCSA-N 338.451 3.232 10 50 EGCA CCOc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 100614788 LDWVTPOCJYAZRN-UHFFFAOYSA-N 331.368 3.142 10 50 EGCA CNc1c(Cl)ncnc1NCc1ccc(N2CCSCC2)cc1 136024784 BWLBGWHIRXZXOY-UHFFFAOYSA-N 349.891 3.337 10 50 EGCA COc1cccc(-c2ccc(O)c(CN(C)Cc3cc(C)no3)c2)n1 11913264 CQSGOCBDFKBTQB-UHFFFAOYSA-N 339.395 3.391 10 50 EGCA COc1ccc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 20716810 PDSCTZJKHUOENS-UHFFFAOYSA-N 346.434 3.479 10 50 EGCA COc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 4456974 PQEZQIJHCYNLMT-NTEUORMPSA-N 328.418 3.496 10 50 EGCA CCCc1nc(C)cc(N2CCN(Cc3cc(C)ccc3O)CC2)n1 65488307 SUBLQEHBKXSLNK-UHFFFAOYSA-N 340.471 3.074 10 50 EGCA CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2ccccc21 3901126 BJZFEOTUEBKDMJ-SSZFMOIBSA-N 345.402 3.231 10 50 EGCA CSc1ccc(C2OC(=O)C(=Cc3ccc(C)o3)C(=O)O2)cc1 460317 OHMPHYKVZCNEKB-UHFFFAOYSA-N 330.361 3.492 10 50 EGCA CC(/C=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O)=C\c1ccccc1 1210338 VPOZDTXBXSBCDW-OBYQLPIYSA-N 333.434 3.307 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 966943 UVPVSGRBWTYETN-DHZHZOJOSA-N 341.841 3.406 10 50 EGCA O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1 13549142 ZRBPFRLPQKSRGL-KAMYIIQDSA-N 330.409 3.100 10 50 EGCA O=C(O)c1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 4482838 OUUMKEDTJRCAKV-UKTHLTGXSA-N 342.401 3.186 10 50 EGCA Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)cc2c1 17179950 IMHPMCWGTDAVFS-ZSOIEALJSA-N 344.461 3.446 10 50 EGCA COc1cccc(CN2CCN(c3cc(C)ccc3C)CC2)c1O 55292206 GNYVCOXHVBTUDK-UHFFFAOYSA-N 326.440 3.340 10 50 EGCA COc1ccc(N2CCN([C@@H]3CCCN(CC=C(C)C)C3)CC2)cc1 20536065 JYRAEADDLDSQDW-HXUWFJFHSA-N 343.515 3.248 10 50 EGCA O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(O)c(O)c1 99119 JLCLRTONUBKGKP-WZUFQYTHSA-N 332.153 3.353 10 50 EGCA COc1ccc(N2CCN([C@H]3CCN(c4ccccc4)C3)CC2)cc1 1506414070 BSOIUONBFOFNOG-FQEVSTJZSA-N 337.467 3.096 10 50 EGCA CC[C@@H](CO)N(Cc1ccccc1C)Cc1c(O)cccc1OC 63833337 VNELUZLLALUZOO-KRWDZBQOSA-N 329.440 3.482 10 50 EGCA COc1ccc(OC)c(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1 205640 PHHOZHRVGYRKRA-WJDWOHSUSA-N 346.452 3.406 10 50 EGCA OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2ccccc2O)C1 19839585 XYWWORVLTJKCJU-HXUWFJFHSA-N 347.405 3.488 10 50 EGCA CCc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@@H]2C)nc1 216321264 PANQMHXRVTUDFR-INIZCTEOSA-N 325.456 3.363 10 50 EGCA Cc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 1188744 AAUGGRRBBRLVDR-YQCJOKCJSA-N 335.450 3.305 10 50 EGCA O=C(O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 966944 UVPVSGRBWTYETN-FLIBITNWSA-N 341.841 3.406 10 50 EGCA CC(=O)C(=O)c1ccc(/N=[N+](\[O-])c2ccc(C(=O)C(C)=O)cc2)cc1 4915268 ZXNJLJQKYRFLLW-VXPUYCOJSA-N 338.319 3.156 10 50 EGCA Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 14011161 NQWWBHRECMXPPV-GZTJUZNOSA-N 334.375 3.278 10 50 EGCA COC(=O)c1sc2nc(C3CC3)c(Br)cc2c1N 43827433 QUZNZDKGPANPJC-UHFFFAOYSA-N 327.203 3.305 10 50 EGCA CC[C@@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1O 156977852 SLJVFECNRJEJAN-RDTXWAMCSA-N 337.423 3.232 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc4ccn(C)c4c3)CC2)cc1 40268028 DTCHOUUFSVPLTA-UHFFFAOYSA-N 349.434 3.149 10 50 EGCA Cc1cc(C(C)(C)CC(C)(C)C)cc(CN(CCO)CCO)c1O 96027223 PHEOSESSRPGEFT-UHFFFAOYSA-N 337.504 3.201 10 50 EGCA CN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc21 16213988 LRKYKLRJZBHUCF-YPKPFQOOSA-N 344.461 3.177 10 50 EGCA CC(C)(C)c1ccc(O)c(CN2CCC(N3CCC[C@@H](O)C3)CC2)c1 67934531 GNAGTJIQVCWMGP-LJQANCHMSA-N 346.515 3.111 10 50 EGCA Nc1ccc(CC(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc1 1704356191 CRRAMVXQOXXWJF-VQTJNVASSA-N 336.435 3.190 10 50 EGCA CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(OC)cc2)SC1=S 8568519 NNZSGCAUIWFSLU-JYRVWZFOSA-N 345.449 3.306 10 50 EGCA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1cccc(Cl)c1O 893064670 FGKRIHQLWHLGTG-HNNXBMFYSA-N 346.818 3.021 10 50 EGCA CCCC1=NN2C(=N)/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 4427280 UCPGHAPQJJAHBJ-HXEMGQCCSA-N 343.368 3.014 10 50 EGCA CN1CCS/C1=C\C=C1\SC(=S)N(Cc2ccccc2)C1=O 4471443 FRMWPDYHAMVPCH-GUZOQHLSSA-N 348.518 3.451 10 50 EGCA O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2cccs2)cc1 16247650 UFUYIQQDEKXAMV-WQLSENKSSA-N 347.442 3.456 10 50 EGCA Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 23128337 RMVMECWECPZIEV-YBEGLDIGSA-N 340.452 3.299 10 50 EGCA O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(O)c(O)c1 159035793 BKPCQXGBKRAJDW-UHFFFAOYSA-N 326.179 3.264 10 50 EGCA CCCn1ncnc1[C@H](C)NC(=O)c1c(C)c2cc(F)ccc2n1C 299786347 LBRJJMHKBSMNFN-LBPRGKRZSA-N 343.406 3.118 10 50 EGCA CC(C)(C)n1ncc2c(NCc3ccc4cccnc4c3O)ncnc21 894257152 NHPKRWWVPISHLK-UHFFFAOYSA-N 348.410 3.447 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)cc1 449181 LJJFNBMUCHNRQT-UKTHLTGXSA-N 326.377 3.031 10 50 EGCA O=C(c1cccc(O)c1O)N1CC=C(c2c(F)cccc2F)CC1 225734275 FOONOXWRANZNPZ-UHFFFAOYSA-N 331.318 3.306 10 50 EGCA Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)NC2=O)o1 1107156 JAHOUDQARBXBMK-QPEQYQDCSA-N 345.401 3.442 10 50 EGCA O=[N+]([O-])c1ccc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)c1 4980523 JEJVZRBCNYVVCQ-UHFFFAOYSA-N 347.802 3.276 10 50 EGCA CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 4318163 GIDYNNPNMOCMFW-LINIDBDUSA-N 346.452 3.165 10 50 EGCA CCC1(N(C(C)=O)c2ccc(OC)cc2)C(=O)c2ccccc2C1=O 436564 FWSSVSFMMDIQPL-UHFFFAOYSA-N 337.375 3.276 10 50 EGCA CCc1cc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)on1 1506412859 PCSKWQWRPQMPSW-UHFFFAOYSA-N 325.456 3.484 10 50 EGCA Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)c(-c2ccccc2)o1 183973010 WJRNIQNIXCKVLZ-UHFFFAOYSA-N 338.363 3.034 10 50 EGCA CS(=O)(=O)CCCOc1ccc(N2CCCCC2)c(Cl)c1 408521782 HLSQFTRDEIBPAO-UHFFFAOYSA-N 331.865 3.144 10 50 EGCA COc1cccc(O)c1CN(CCN(C)C)Cc1sccc1C 55182757 JDCHFCJGCXHLSA-UHFFFAOYSA-N 334.485 3.335 10 50 EGCA O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1 4278530 RTWXTCVRZFFJIJ-UHFFFAOYSA-N 336.141 3.105 10 50 EGCA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCOCC3)c12 218519658 AXWLODUQMJPAOE-UHFFFAOYSA-N 343.404 3.263 10 50 EGCA O=C(NCc1cccc(Cl)c1O)N[C@@H](c1cccnc1)C1CC1 893886096 RTZMOVCBXMNKNY-OAHLLOKOSA-N 331.803 3.391 10 50 EGCA O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 1084647 SWAKUVSWZTUPBN-AWNIVKPZSA-N 343.385 3.106 10 50 EGCA O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccnc1 334161212 WMGIGPSSZMBIRB-ZSOIEALJSA-N 345.424 3.492 10 50 EGCA Cc1cc(C)c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3c2c1 179545 YQQFNAPGEHWSDN-BOPFTXTBSA-N 349.459 3.140 10 50 EGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 169295053 DNJCOYQCPWJMLI-LJGDNWOOSA-N 330.453 3.144 10 50 EGCA CCOc1cccc(CN2CCN(c3ccccc3F)CC2)c1O 16662748 RKQQGQDFRBLGBP-UHFFFAOYSA-N 330.403 3.252 10 50 EGCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccco4)C(=O)N=C3S2)cc1 2124726 UKOXLQUAZTYWGO-KXXGJRMMSA-N 336.376 3.255 10 50 EGCA CCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2ccccc21 13774705 WPSMIMMWJIMRSS-SEYXRHQNSA-N 332.450 3.033 10 50 EGCA COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(OC)c1 14021235 FDFDCWIPIMMSHZ-GDNBJRDFSA-N 332.425 3.160 10 50 EGCA O=C(O)C1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 23114645 VVFMCHYHHYHXQM-GDNBJRDFSA-N 331.331 3.039 10 50 EGCA biogenic COc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 41107641 YQHKQLAEHQCALG-UHFFFAOYSA-N 346.814 3.438 10 50 EGCA CN1C=CC=C/C1=C1/SC(=S)N(CCc2ccccc2)C1=O 4519813 VBVHPJDCBSPXIM-PFONDFGASA-N 328.462 3.316 10 50 EGCA CCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S 4579668 MDYCAIXXSWVPDV-UXBLZVDNSA-N 344.255 3.376 10 50 EGCA O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 966921 CDYUPXAPPDEIKP-OQFOIZHKSA-N 348.232 3.279 10 50 EGCA c1csc(CN2CCC[C@@H](NCc3ccc4c(c3)CCO4)C2)c1 952960299 AUGAJTCGMJHTBH-QGZVFWFLSA-N 328.481 3.437 10 50 EGCA Fc1ccc(CCNC2CCN(c3ccc4c(c3)OCO4)CC2)cc1 952969034 ANAANKWJQXPDNE-UHFFFAOYSA-N 342.414 3.356 10 50 EGCA O=C(c1ccco1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 19902824 KWSZFBMMIUCATB-UHFFFAOYSA-N 336.391 3.096 10 50 EGCA CC1=C(C(=O)OC(C)C)[C@H](c2c(O)ccc3ccccc23)NC(=O)N1 190168 YBNPYPJBZINQFP-QGZVFWFLSA-N 340.379 3.125 10 50 EGCA Oc1cc(Br)ccc1CNC[C@]1(O)CCc2ccccc21 825370717 PQJBQWGJGTZQFF-QGZVFWFLSA-N 348.240 3.078 10 50 EGCA Cn1cc(CCCNC2CCN(c3ccc4c(c3)CCC4)CC2)cn1 1506401042 HTKNZAPAFYEKPQ-UHFFFAOYSA-N 338.499 3.100 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 13669632 DMKXRAJCXVQZER-UHFFFAOYSA-N 330.815 3.107 10 50 EGCA O=C(O)CN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 966992 DXADFRHPQBUESF-MDWZMJQESA-N 329.402 3.126 10 50 EGCA O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2N1CCCCC1 3878657 VDIVLEAJBVXRJD-UHFFFAOYSA-N 336.347 3.361 10 50 EGCA Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)cc1 447509 IFRNOVQSBRUQQX-BDKUJZOCSA-N 348.427 3.383 10 50 EGCA O=C(COc1ccccc1F)NCc1ccc(N2CCCC2)cc1 41365505 VKWYIXNIADQGRN-UHFFFAOYSA-N 328.387 3.121 10 50 EGCA COc1ccc(CN2CCOC[C@H]2c2ccc(F)cc2)c(O)c1OC 894744460 AGZZKCDPHJRAIL-INIZCTEOSA-N 347.386 3.122 10 50 EGCA COc1ccc(N[C@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1 12304415 UOTSGWCBJIWXAS-INIZCTEOSA-N 342.439 3.486 10 50 EGCA COc1ccc(OC)c(-c2nc(COc3cccnc3N)c(C)o2)c1 67850390 IYXCZAYOVZXHNG-UHFFFAOYSA-N 341.367 3.223 10 50 EGCA Cc1cccc(OCCCCC(=O)NCc2c(O)cccc2O)c1 952995775 YIHNEEJDVQJHHE-UHFFFAOYSA-N 329.396 3.272 10 50 EGCA CN1CCS/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O 5320021 FKVQJBHJTZBGNW-GUFPOKFQSA-N 334.491 3.455 10 50 EGCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O 977233 UANAQGIEGOTVNF-SEYXRHQNSA-N 342.401 3.003 10 50 EGCA Cc1cccc(N2C(=O)/C(=C/c3cccn3C)C(O)=NC2=S)c1 1303939 YEAXOLZBAXTLHF-GXDHUFHOSA-N 325.393 3.005 10 50 EGCA COc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)N=C1C 12412906 YFEYPRDESAKMKG-WJDWOHSUSA-N 336.347 3.200 10 50 EGCA CC[C@H](NC[C@]1(O)CCSC1)c1cc(Br)ccc1O 156202368 ZNHCISIFMADZLR-GXTWGEPZSA-N 346.290 3.063 10 50 EGCA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)O)ccc12 88646 IQIYKIMABPAWBH-JTQLQIEISA-N 328.320 3.115 10 50 EGCA biogenic Cc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 4664744 JQNCDEXUWNPODJ-BMWAZNHVSA-N 338.314 3.176 10 50 EGCA NC1=CC=C(O)[C@@H]2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@@H]12 100858667 PZPYTMCCNSGMNY-RDJZCZTQSA-N 348.358 3.045 10 50 EGCA COc1ccc(N2CCC(N[C@@H](c3nccn3C)C(C)C)CC2)cc1 67675985 WMUYJAOADXYIIY-LJQANCHMSA-N 342.487 3.384 10 50 EGCA COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1O 441232 MYJYNGIQDJFHMW-GDNBJRDFSA-N 332.425 3.103 10 50 EGCA CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 1214828 HEJUAYRNNNXEMF-QBFSEMIESA-N 335.450 3.231 10 50 EGCA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)O)ccc12 88648 IQIYKIMABPAWBH-SNVBAGLBSA-N 328.320 3.115 10 50 EGCA biogenic CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ncnn1CC 534644797 HUJKUBCWNGSCDB-SFHVURJKSA-N 343.475 3.016 10 50 EGCA COc1cc(OC)cc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 170620031 XZCQXCXMYXCSPZ-SFHVURJKSA-N 340.379 3.107 10 50 EGCA COc1ccc([N+](=O)[O-])cc1[C@@H]1NN=C(c2ccccc2O)S1 13130707 WYXCCDJTQMMJFW-OAHLLOKOSA-N 331.353 3.006 10 50 EGCA CC(=O)c1cc2c(CC(=O)O)c(-c3ccccc3)oc2c(O)c1O 1848443107 VPCNPVSFSVGTSS-UHFFFAOYSA-N 326.304 3.341 10 50 EGCA c1csc(CN2CCC[C@H](NCc3ccc4c(c3)CCO4)C2)c1 952960298 AUGAJTCGMJHTBH-KRWDZBQOSA-N 328.481 3.437 10 50 EGCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccco1 2056055 NPUVQCOAWOJSFC-AUWJEWJLSA-N 345.401 3.410 10 50 EGCA C[C@@H]1CN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)C[C@@H](C)O1 19791827 PDSWZIXYNCJANZ-CHWSQXEVSA-N 339.391 3.261 10 50 EGCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1 2991158 ZVJZYQDCSJYFDR-NTEUORMPSA-N 326.739 3.006 10 50 EGCA Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 15988039 NEGHUUSPBWXHOY-YBEGLDIGSA-N 341.436 3.484 10 50 EGCA CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 100529769 DXXTUWLUMLDCIK-GDNBJRDFSA-N 334.404 3.490 10 50 EGCA Cc1cc(C(=O)OC(C)(C)C)c(C)n1-c1ccc(O)c(C(=O)O)c1 206825930 KJDXUJZOCZHBDN-UHFFFAOYSA-N 331.368 3.453 10 50 EGCA COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1 4614360 NEVLJKZXGXOVOD-YVLHZVERSA-N 336.347 3.200 10 50 EGCA O=C(C(=O)c1ccc(C(=O)O)c2c(C(=O)O)cccc12)c1ccccc1 3082374 JOFONQAOAOLEKB-UHFFFAOYSA-N 348.310 3.302 10 50 EGCA Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 15769839 GCXGSDMJMMLCFL-FLIBITNWSA-N 346.795 3.073 10 50 EGCA COCCc1noc(CNc2ccccc2C(=O)c2ccccc2)n1 192589533 UCMJXUAUEDAOPT-UHFFFAOYSA-N 337.379 3.102 10 50 EGCA COc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)C(O)=NC2=S)c1 100656 RQKVAEYLXMNUOB-NTEUORMPSA-N 342.376 3.268 10 50 EGCA CCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 2313037 XLSKPCHJMCYXOK-DTQAZKPQSA-N 346.452 3.168 10 50 EGCA CCCN1C(=O)/C(=C2/C(=O)N(CCC)c3ccccc32)SC1=S 1836267 ANTXIVSLOOXHQH-YPKPFQOOSA-N 346.477 3.425 10 50 EGCA C[C@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1O 217482962 KAESPPRAXDALIH-BVZIGLSBSA-N 329.440 3.291 10 50 EGCA CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccccc1O 155288476 DUDZDUSZQLGDDO-SUMWQHHRSA-N 348.468 3.102 10 50 EGCA COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C(=O)O 4903365 PKLSIHRMJDBETJ-GDNBJRDFSA-N 336.347 3.200 10 50 EGCA C[C@H]1CC(CNC(=O)NCCCSc2nccs2)C[C@H](C)O1 253427000 UJLSYDKKZHXGIS-RYUDHWBXSA-N 343.518 3.128 10 50 EGCA CCc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 12651367 VRKIAHBAXMLJDF-UHFFFAOYSA-N 340.423 3.347 10 50 EGCA COC(=O)CCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 811562350 NVIOPJACYWWOLW-UHFFFAOYSA-N 344.411 3.017 10 50 EGCA O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1 1305619 YUSHBRYZJAWKNT-DHZHZOJOSA-N 343.320 3.163 10 50 EGCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1 133258 GKNLDPNMAIXGND-SDXDJHTJSA-N 349.459 3.479 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 7850473 WDZIVACDDWKTEC-UHFFFAOYSA-N 348.805 3.450 10 50 EGCA COc1ccc(C2=NC3=S=C(c4ccccc4)C(=O)N3C(C)=C2)cc1 334157255 CTSNDTDFBHUMMI-UHFFFAOYSA-N 348.427 3.285 10 50 EGCA CCn1ncnc1[C@H](C)NC1CCN(c2ccc3c(c2)CCC3)CC1 1506397698 VYORYIBPKQVSGD-HNNXBMFYSA-N 339.487 3.106 10 50 EGCA O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccco1 8768814 QOGBMQGYYSHBGT-ZSOIEALJSA-N 335.319 3.263 10 50 EGCA Cc1nc2cc(-n3ccnc3-c3ccc(O)c(CN(C)C)c3)ccc2[nH]1 71767955 DIOCJIYSTQAQOM-UHFFFAOYSA-N 347.422 3.491 10 50 EGCA Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)s1 13773991 UQRSWKXHTMYYJP-JYRVWZFOSA-N 346.795 3.376 10 50 EGCA Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cnn1C 2747903 OKVNROMTIQHRMB-XNTDXEJSSA-N 343.477 3.172 10 50 EGCA O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc(O)c1O 193150722 YERNHXRMSBNORC-QGZVFWFLSA-N 338.338 3.151 10 50 EGCA CCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 113070 QVJDJKAINBFXSG-WJDWOHSUSA-N 337.375 3.238 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(C)c2)c1 6715997 KPDYQEQKUWFWLU-UHFFFAOYSA-N 326.396 3.093 10 50 EGCA Cc1cc(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)n1-c1ccccn1 241262046 LAWTZSJBEWEXOL-ZTFGCOKTSA-N 340.423 3.459 10 50 EGCA COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(Cl)c2)c1 6715882 CCFQGZGHOYQSIX-UHFFFAOYSA-N 346.814 3.438 10 50 EGCA COC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179808 NSZKXMKURGVFLK-FLIBITNWSA-N 341.841 3.104 10 50 EGCA CN(C)c1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 1087664 HAKYJFVGDFGUFB-GWQWUEFDSA-N 348.493 3.133 10 50 EGCA COc1ccc(N2C(=O)/C(=C3/C=CC=CN3C)SC2=S)cc1 100849642 WCHDXDTWIMWNRL-BUHFOSPRSA-N 330.434 3.287 10 50 EGCA Nc1ccc(Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2)cc1 71775339 OXNDTJDTURAQBT-UHFFFAOYSA-N 326.787 3.419 10 50 EGCA Cc1cc2ccccn2c1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2577178 GFZGMYURTNPEHX-UHFFFAOYSA-N 339.376 3.261 10 50 EGCA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O 31157853 LCAZOMIGFDQMNC-FORWCCJISA-N 346.423 3.258 10 50 EGCA biogenic,in-vitro CCn1nc(C)c(CNCc2ccc(Br)cc2O)c1C 825196899 BRIWPBCJHYDNNE-UHFFFAOYSA-N 338.249 3.278 10 50 EGCA CN(C)Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 44955 MCDSSBSCEDDJFF-UHFFFAOYSA-N 349.390 3.114 10 50 EGCA biogenic Cc1nc2c(c(NCc3ccc(O)cc3O)n1)Cc1ccccc1OC2 95517321 PREJZCNRLMIXDF-UHFFFAOYSA-N 349.390 3.292 10 50 EGCA COc1cnc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1 225429272 CZTRMTSGXLJEOD-UHFFFAOYSA-N 326.322 3.182 10 50 EGCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)c1 100504983 SQKHYPYTDAAVJA-LFIBNONCSA-N 345.358 3.143 10 50 EGCA C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCC2)cc1 71754923 NVWWUCXNOMJIMM-MRXNPFEDSA-N 329.488 3.196 10 50 EGCA S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1 13673136 YPRZTFGZLRTWDK-UHFFFAOYSA-N 327.453 3.010 10 50 EGCA COc1ccc(N2CCN(Cc3cccc(OC)c3OC)CC2)cc1 55542905 IPJSAICAWOPPOJ-UHFFFAOYSA-N 342.439 3.035 10 50 EGCA C[C@@H](OC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] 98052566 PDNNZLULXSQJGZ-LLVKDONJSA-N 346.339 3.036 10 50 EGCA in-vitro COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 617257 XZKMBRMJDPQYPH-UHFFFAOYSA-N 344.842 3.240 10 50 EGCA CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S 4718978 LEMSJECQQZVZAI-UKTHLTGXSA-N 345.401 3.330 10 50 EGCA COc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c(O)c1OC 894497818 AUNVPQYJYFDAAY-AWEZNQCLSA-N 331.416 3.086 10 50 EGCA CN1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1 19958453 KLTPZWVHSBTYCU-DTQAZKPQSA-N 343.496 3.202 10 50 EGCA COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 100716649 FORNBRFRDATBQZ-LJQANCHMSA-N 347.422 3.409 10 50 EGCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2CCCO)cc1 3904067 ZQHWNFCLCIBXPR-JLHYYAGUSA-N 349.434 3.015 10 50 EGCA biogenic CC(C)(C)c1ccc(O)c(CN2CCC(N3CCC[C@H](O)C3)CC2)c1 67934530 GNAGTJIQVCWMGP-IBGZPJMESA-N 346.515 3.111 10 50 EGCA COc1nscc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1875300697 NXEMENVOYROJGO-UHFFFAOYSA-N 331.441 3.024 10 50 EGCA Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)o1 1916923 WPFZXSTYLAONIU-FMIVXFBMSA-N 339.438 3.434 10 50 EGCA CN(C)c1ccc(/C=C2\SC(=S)NC2=O)cc1Br 12414054 GPRQVVSDZSXVPY-POHAHGRESA-N 343.271 3.004 10 50 EGCA CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 102562 JBYQCHQCGWMKCN-MRXNPFEDSA-N 337.335 3.074 10 50 EGCA CCOc1cc(CN2CCN(c3ccc(OC)cc3)CC2)ccc1O 55543585 IDYAHDIJZQGGIY-UHFFFAOYSA-N 342.439 3.122 10 50 EGCA O=C1/C(=C\c2ccccc2F)SC(=S)N1CN1CCCCC1 23279563 UWAMEYNNCRZBFG-GXDHUFHOSA-N 336.457 3.470 10 50 EGCA NC1=CC=C(O)[C@H]2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@H]12 100858657 PZPYTMCCNSGMNY-NVXWUHKLSA-N 348.358 3.045 10 50 EGCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 4902937 WXUBSQMPBHCZEP-UHFFFAOYSA-N 328.327 3.109 10 50 EGCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccs1 113085 NOJUWUHDHZPLMA-ZROIWOOFSA-N 329.377 3.214 10 50 EGCA CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccccc1O 155288575 DUDZDUSZQLGDDO-DYVFJYSZSA-N 348.468 3.102 10 50 EGCA Nc1ccc(NC2CCN(C(=O)OCc3ccccc3)CC2)cc1 36075400 ZROORQAMRHZDGP-UHFFFAOYSA-N 325.412 3.482 10 50 EGCA in-vitro O=C(O)c1ccc(CO/N=N/OCc2ccc(C(=O)O)cc2)cc1 45789082 KNKCXZHPOIMNJH-ISLYRVAYSA-N 330.296 3.099 10 50 EGCA in-vitro COc1ccc(OC(F)(F)F)cc1/C=C1\SC(=S)NC1=O 669369088 ZUODYQUWKRYXBJ-UITAMQMPSA-N 335.328 3.083 10 50 EGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(F)c1 15745939 ONZXCPIOKCTWNU-NTEUORMPSA-N 344.729 3.146 10 50 EGCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 15930684 DXNOKQRWUGTDMH-YBEGLDIGSA-N 339.326 3.242 10 50 EGCA Cc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)c1C 4980571 MIBPKIXRYPTPLR-UHFFFAOYSA-N 341.411 3.239 10 50 EGCA CCC(=O)N1N=C(c2ccc(O)c([N+](=O)[O-])c2)C[C@H]1c1cccs1 328598552 MZGPMJXZANXHRS-ZDUSSCGKSA-N 345.380 3.450 10 50 EGCA COc1ccc(O)c(CN2CCN(c3cc(C)ccc3C)CC2)c1 53201303 DKVXRKYPHXFNPB-UHFFFAOYSA-N 326.440 3.340 10 50 EGCA Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cccc(Cl)c1O 893064671 FGKRIHQLWHLGTG-OAHLLOKOSA-N 346.818 3.021 10 50 EGCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1O 12568139 UJKIOYKLTHUNKL-ZSOIEALJSA-N 347.417 3.395 10 50 EGCA COc1ccc(O)c(CN2CCC(CO)(Cc3ccccc3)CC2)c1 12703278 ZLFSGFMCPDZQLC-UHFFFAOYSA-N 341.451 3.218 10 50 EGCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5835572 DOTHHFGGTSRPGO-YTRUQHMWSA-N 339.413 3.136 10 50 EGCA Cc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c(O)c1O 179424522 LXUWBJHDCSHMCN-UHFFFAOYSA-N 341.407 3.228 10 50 EGCA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 1775967694 USLSVRUKSMFZQB-UHFFFAOYSA-N 327.789 3.245 10 50 EGCA Cc1c(CNCC2CCC(S(C)(=O)=O)CC2)n(C)c2ccccc12 1663282873 SBODQYXSFRUILC-UHFFFAOYSA-N 348.512 3.180 10 50 EGCA CN(C)CCOc1ccc(N(C)Cc2cccc3c2CCOC3)cc1 1308668790 FCAVLXJPBRKQRS-UHFFFAOYSA-N 340.467 3.336 10 50 EGCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccccc2)C1=O 192693 IJDWGUKHHJFWNA-DNRGFCISSA-N 332.359 3.218 10 50 EGCA CC(C)CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 12382256 CAJSAWMFPCQONH-SDQBBNPISA-N 338.410 3.158 10 50 EGCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 15930673 TXWKQGYAZQJCPO-YBEGLDIGSA-N 340.314 3.452 10 50 EGCA CC1(C)OC(=O)C(=CSc2ccc(Br)cc2)C(=O)O1 1404297 OFXMFAHDGJTBLK-UHFFFAOYSA-N 343.198 3.261 10 50 EGCA C[C@H](OC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] 98052565 PDNNZLULXSQJGZ-NSHDSACASA-N 346.339 3.036 10 50 EGCA in-vitro CCc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 446576 UAMZRFCTEQGAMV-ATVHPVEESA-N 334.375 3.224 10 50 EGCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 1236378 MRVNIMNARZNNMR-MBACFSSFSA-N 327.452 3.059 10 50 EGCA COc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1O 57534910 BSIZNKJCESUYAC-UHFFFAOYSA-N 326.440 3.340 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 3547523 WTYQKIZNXMWXHK-UHFFFAOYSA-N 336.391 3.404 10 50 EGCA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2c(O)ccc3ccccc23)C1 100503895 AXJCBOPJUWUKSZ-RDJZCZTQSA-N 346.430 3.326 10 50 EGCA OCc1cccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 828827636 VEDUGMJOHWHIDW-UHFFFAOYSA-N 336.479 3.426 10 50 EGCA C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5214131 ZEHMKIXTESILQT-VSUWBIFXSA-N 327.814 3.014 10 50 EGCA O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 2833773 NUVMJVTVRVSLOZ-JYRVWZFOSA-N 345.401 3.379 10 50 EGCA Cc1cc(C(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C)n1-c1ccccn1 126538384 LAWTZSJBEWEXOL-JCGIZDLHSA-N 340.423 3.459 10 50 EGCA Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2ncnn2C)c1C 170609939 YACPSMOKGSCBOM-AWEZNQCLSA-N 337.427 3.022 10 50 EGCA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2Cc3cnn(C)c3C2)c1 857880564 JRUSGAAJTRXHPX-UHFFFAOYSA-N 334.423 3.292 10 50 EGCA Cc1ccccc1NCCC(=O)NCc1ccc2cccnc2c1O 1451952686 JMBXJPABYJPTJE-UHFFFAOYSA-N 335.407 3.367 10 50 EGCA CCc1ccc(N2NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 19860336 VMIKQDDLZRCAJR-BOPFTXTBSA-N 331.375 3.192 10 50 EGCA O=C1N=C(O)/C(=C\c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2985048 RVGJFMMFZLFJSP-NTEUORMPSA-N 337.291 3.102 10 50 EGCA Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 3096513 SXKBQLZMICXHNV-JSJNYSNDSA-N 344.414 3.171 10 50 EGCA Cc1cc2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3c2cc1C 234582 GSIQTMYTJDAWDX-WQRHYEAKSA-N 349.459 3.140 10 50 EGCA O=C1/C(=C\c2ccc[nH]2)C(O)=NC(=S)N1CCC1=CCCCC1 1254639 NYCYLRVBBAXXJW-KAMYIIQDSA-N 329.425 3.372 10 50 EGCA COc1ccc(F)c(-c2nc(COc3cccnc3N)c(C)o2)c1 67818221 NWWFDGOKJJYBNI-UHFFFAOYSA-N 329.331 3.354 10 50 EGCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 134647 QUQSYBLTTCLMLB-KPKJPENVSA-N 349.173 3.160 10 50 EGCA COc1ccc(N2CCN(Cc3ccc(OC)c(C)c3)CC2)cc1 239068 HOSHJPVOMINOIZ-UHFFFAOYSA-N 326.440 3.334 10 50 EGCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 444164 MLPFYGXSXOJKHY-GHRIWEEISA-N 330.343 3.408 10 50 EGCA CC(C)(C)[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)c2ccccc21 367692632 YLFRZKWHZVZCHK-CQSZACIVSA-N 326.396 3.098 10 50 EGCA O=C1CCC[C@H]1c1cc(NS(=O)(=O)c2ccccc2)ccc1O 265655 BHKZJHMCROBVPA-AWEZNQCLSA-N 331.393 3.030 10 50 EGCA CCOc1ccc(Cl)cc1C(=O)Nc1ccc(O)cc1C(=O)O 4649253 JGFZBNRBIWRLLF-UHFFFAOYSA-N 335.743 3.395 10 50 EGCA COC(=O)c1c(CN(C)Cc2ccncc2)c2cc(F)ccc2n1C 894449192 PABFPYKSABPEMK-UHFFFAOYSA-N 341.386 3.131 10 50 EGCA COc1ccc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c(OC)c1 12417771 LJVUOLOTIYCBAX-GFQQVXNGSA-N 346.452 3.406 10 50 EGCA O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 4844521 NXXNDEXVFJMDPY-WQLSENKSSA-N 338.310 3.228 10 50 EGCA COc1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 7220032 CWHFENCDPWUVOE-UHFFFAOYSA-N 335.407 3.139 10 50 EGCA biogenic,in-vitro NC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 528890 GUWOVBQRBQVJIA-UHFFFAOYSA-N 340.404 3.322 10 50 EGCA Nc1ccc(CC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 237894416 QTWINOQVQWYYJK-QGZVFWFLSA-N 330.815 3.065 10 50 EGCA O=C1N=C(O)/C(=C/c2ccccc2Oc2ccc(F)cc2)C(=O)N1 4050222 QXJFKOBVHIVSML-UHFFFAOYSA-N 326.283 3.208 10 50 EGCA O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 13671214 HQFCADYKAQOERG-UHFFFAOYSA-N 348.443 3.295 10 50 EGCA C[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1O 217482871 KAESPPRAXDALIH-IXERNEQCSA-N 329.440 3.291 10 50 EGCA CC[C@H](NC[C@@]1(O)CCSC1)c1cc(Br)ccc1O 156202605 ZNHCISIFMADZLR-JSGCOSHPSA-N 346.290 3.063 10 50 EGCA COc1ccc(/C=C2/SC(Nc3cccnc3)=NC2=O)c(OC)c1 140553 CVRJMPHUVMUISJ-OVCLIPMQSA-N 341.392 3.181 10 50 EGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 2119680 XYLSXYSCIIYVDW-XYOKQWHBSA-N 332.768 3.068 10 50 EGCA Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)cc3F)c2)cc1 71775341 PVNGLLSXKYTXBV-UHFFFAOYSA-N 328.322 3.044 10 50 EGCA Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cc(F)ccc2N(C)C)c1 1263317248 SJEZMTVPYMNHOA-CYBMUJFWSA-N 345.418 3.466 10 50 EGCA COC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 453237 RZEQHPIKEFZQEZ-UHFFFAOYSA-N 340.331 3.020 10 50 EGCA biogenic Nc1ccc(CC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 237894899 QTWINOQVQWYYJK-KRWDZBQOSA-N 330.815 3.065 10 50 EGCA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)CC(=O)N2 65363727 KEFCFEWWVNUVKY-AWEZNQCLSA-N 335.363 3.066 10 50 EGCA COC(=O)CN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 1212891 YHMOIDAHMKYUSV-MDWZMJQESA-N 335.450 3.184 10 50 EGCA C[C@H](NC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 65278658 GTKMZWGMSRPZQV-HNNXBMFYSA-N 325.412 3.406 10 50 EGCA C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)c1ccccn1 1251428895 BLUSTHAZYGPKIQ-QMMMGPOBSA-N 347.223 3.134 10 50 EGCA COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccs1 12417616 GYZPBSNCXCULGN-UVTDQMKNSA-N 326.377 3.097 10 50 EGCA CCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1750272 NPZNAWVJWASSOP-QBFSEMIESA-N 335.450 3.231 10 50 EGCA CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1 171531812 LSQUPVNQUMKYCW-CQSZACIVSA-N 332.469 3.303 10 50 EGCA COc1ccc([C@H](NC(C)=O)c2c(O)ccc3ccc(O)cc23)cc1 12379481 VUBCQLXCHWBMJR-FQEVSTJZSA-N 337.375 3.485 10 50 EGCA COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 413878 IGWNGEIFXOOGRN-UHFFFAOYSA-N 329.375 3.188 10 50 EGCA CC[C@@H](C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)C(O)=NC1=S 38170394 GIMVWDZKPLKMMM-GARZTLJTSA-N 327.409 3.433 10 50 EGCA CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ncnn1CC 534644793 HUJKUBCWNGSCDB-GOSISDBHSA-N 343.475 3.016 10 50 EGCA Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12 4347949 WMEUHDPAOLMAES-FMQUCBEESA-N 326.381 3.485 10 50 EGCA Nc1c(C(=O)Oc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 3878834 TVOHODCSYVIPTF-UHFFFAOYSA-N 343.338 3.263 10 50 EGCA COc1ccc(N2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 207440 HYMPFQWWALLWPX-UHFFFAOYSA-N 342.439 3.035 10 50 EGCA CC(C)(C)c1cnc(S[C@H]2CCN(C3CCOCC3)C2=O)s1 253423831 GJNNYRSGFAPUTA-LBPRGKRZSA-N 340.514 3.313 10 50 EGCA CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 5018875 UNFYFGWTAKWPML-UXBLZVDNSA-N 328.802 3.469 10 50 EGCA COC(=O)c1ccc(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)cc1 16267145 QUKGWTZQHGXNMD-XBUHWIKASA-N 344.436 3.175 10 50 EGCA c1ccc2c(c1)CC(N1CCC[C@@H](NCc3ccc4c(c3)CCO4)C1)C2 20542246 NQBQWCUWNLYYJJ-OAQYLSRUSA-N 348.490 3.343 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)cc1 447559 NVSYSGOQDCXTBL-NTEUORMPSA-N 326.377 3.031 10 50 EGCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1O 16662993 DPHRXGNOQFRPSU-ZDUSSCGKSA-N 342.233 3.072 10 50 EGCA CCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cs1 13331790 YROMKGDMNWYHBP-UHFFFAOYSA-N 330.453 3.282 10 50 EGCA CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)SC1=S 4655851 NALJHIBBHFGEQC-MDWZMJQESA-N 345.401 3.476 10 50 EGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 2481381 DNJCOYQCPWJMLI-OGIUKLMXSA-N 330.453 3.144 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)no3)[C@@H](C)C2)cc1 20868924 QNSLWSRPFWWUNW-AWEZNQCLSA-N 343.427 3.158 10 50 EGCA Cc1ccsc1/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 450297 GNRDHRCZBXXMIE-KAMYIIQDSA-N 344.436 3.409 10 50 EGCA CN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CC1 49740654 XPINCWBZAUQLRL-UHFFFAOYSA-N 343.858 3.022 10 50 EGCA CC[C@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccccc2)c1C 822634260 FMSPNKZMVLGUPA-QGZVFWFLSA-N 336.439 3.499 10 50 EGCA COC(=O)[C@H](C)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 307679 CGEVHBVAMSOPJF-NSHDSACASA-N 342.347 3.204 10 50 EGCA biogenic Cc1cc(/C=C2\NC(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 13801643 CCMBZGMMXFEAIB-AUWJEWJLSA-N 326.312 3.023 10 50 EGCA COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(F)cc3)C2=O)cc1 9013009 FTDNOXRJLNAGAJ-XNTDXEJSSA-N 340.310 3.341 10 50 EGCA O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Cl)cc1Cl 276494 CUHFGIODLPWTBZ-KPKJPENVSA-N 343.235 3.296 10 50 EGCA COc1ccc(N2CCN(C(=O)c3csc(C)c3C)CC2)cc1 2770427 APQXWBHASNJEIC-UHFFFAOYSA-N 330.453 3.336 10 50 EGCA COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1OC 541960 VOOIVILQOWPJQS-INIZCTEOSA-N 340.379 3.107 10 50 EGCA COc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O 23281706 YFESJQVYLFOZGF-UHFFFAOYSA-N 332.831 3.376 10 50 EGCA Cc1ccc(O)c(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 862535250 YTBYANFKLKZTNF-UHFFFAOYSA-N 335.451 3.500 10 50 EGCA O=C(N[C@@H](c1ccccc1)c1nccs1)c1cccc(O)c1O 193021279 ICTBGQLNPPCFNA-AWEZNQCLSA-N 326.377 3.074 10 50 EGCA NCc1ccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1 1506414862 IQDUOIUWBBGXQN-UHFFFAOYSA-N 335.495 3.393 10 50 EGCA Cc1nc(Cn2ccnc2-c2ccc(O)c(CN(C)C)c2)sc1C 71752564 PLDVAGDYJMEYNB-UHFFFAOYSA-N 342.468 3.439 10 50 EGCA COc1ccc(N2CCC(N3CCC[C@@]4(CCOC4)C3)CC2)cc1 95376197 OJLXNFIYTZLVAM-HXUWFJFHSA-N 330.472 3.167 10 50 EGCA OC[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2ccccc2O)C1 19839587 XYWWORVLTJKCJU-FQEVSTJZSA-N 347.405 3.488 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)cc1Cl 4703256 PIDHFVKRRKTWHC-SDQBBNPISA-N 346.795 3.376 10 50 EGCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC[C@@H]1CCCO1 299788615 VSHVAMYFJMJSFZ-INIZCTEOSA-N 327.380 3.057 10 50 EGCA COc1ccc(O)c(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 19792284 HHWZBEXLGGIMHH-UHFFFAOYSA-N 346.858 3.372 10 50 EGCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 451222 VPCPPVCRLFYLMP-VGOFMYFVSA-N 349.312 3.293 10 50 EGCA CC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 87173 IKICXBRNLCTRJL-INIZCTEOSA-N 337.335 3.074 10 50 EGCA Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 71384923 HESXGVSUESRKLB-UHFFFAOYSA-N 344.842 3.415 10 50 EGCA O=C(NCc1cc(O)ccc1O)Nc1ccccc1N1CCCCC1 1775999047 PAPVSQGEDAAAQK-UHFFFAOYSA-N 341.411 3.410 10 50 EGCA COc1cc(OC)cc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 10113506 HPKJRALEOQVQPM-UHFFFAOYSA-N 340.423 3.234 10 50 EGCA O=C(c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O 105428674 ZRENLAMBSWICJE-UHFFFAOYSA-N 329.149 3.327 10 50 EGCA CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccccc2Cl)C1=O 208863 WCVQGGJLSNTVBJ-JLHYYAGUSA-N 334.803 3.238 10 50 EGCA COc1ccc2c(c1)c(=O)oc1c(CN3CCCC3)c(O)ccc12 5060212 VSEBFIWWDHBKPU-UHFFFAOYSA-N 325.364 3.256 10 50 EGCA Oc1cccc(Br)c1CNC[C@]1(O)CCc2ccccc21 858153429 LRXLLFMVDBUMDI-QGZVFWFLSA-N 348.240 3.078 10 50 EGCA Cc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1 1857666681 DLFPKTZDAZRWMY-UHFFFAOYSA-N 346.795 3.376 10 50 EGCA O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 32654860 RTEUWUIRMRFAIO-XYOKQWHBSA-N 331.378 3.329 10 50 EGCA CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 13331788 XGSPIJKMCWEVSW-UHFFFAOYSA-N 330.453 3.282 10 50 EGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1 448994 PKJBQRIZEBHIPM-KPKJPENVSA-N 332.768 3.068 10 50 EGCA Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1)CCC3 2482289 BRRJIEYERFLKTI-UHFFFAOYSA-N 340.331 3.460 10 50 EGCA biogenic COc1ccccc1N1C(=O)/C(=C\c2ccccn2)SC1=S 4819202 HDOQDBHHSAXLBG-GXDHUFHOSA-N 328.418 3.496 10 50 EGCA O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 4846192 PHFMDOMNZUSADB-NBVRZTHBSA-N 333.391 3.384 10 50 EGCA C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C1 4844740 NLZMFOJBQKDOBV-XDUBLRSXSA-N 329.469 3.455 10 50 EGCA Cn1cc(N2CC[C@H](Sc3ncc(C(C)(C)C)s3)C2=O)cn1 164015262 YWKKAZVBNPCHPO-NSHDSACASA-N 336.486 3.072 10 50 EGCA CNC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 179021226 ZGENJBFGRVSIMM-QGZVFWFLSA-N 325.456 3.084 10 50 EGCA CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)C1CC1 408516795 ZAWPCLKIVSDMMN-AWEZNQCLSA-N 346.471 3.421 10 50 EGCA COc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1C 5540914 VZGCRQKKMFHFBQ-UHFFFAOYSA-N 331.412 3.319 10 50 EGCA Cc1cccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 15823280 IKGLRHOXUNCUGM-BMWAZNHVSA-N 338.314 3.176 10 50 EGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)cc1C 450247 KXSACIINLBKBCI-MHWRWJLKSA-N 338.338 3.109 10 50 EGCA COc1ccc([C@@H](NC(C)=O)c2c(O)ccc3ccc(O)cc23)cc1 12379482 VUBCQLXCHWBMJR-HXUWFJFHSA-N 337.375 3.485 10 50 EGCA COc1ccc(-c2nc(COc3cccnc3N)c(C)o2)cc1OC 67803144 ALNCRDYLONFGQP-UHFFFAOYSA-N 341.367 3.223 10 50 EGCA COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 13320326 WIKYREJIQFLUOB-UHFFFAOYSA-N 343.402 3.497 10 50 EGCA COC(=O)[C@@H](C)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 307680 CGEVHBVAMSOPJF-LLVKDONJSA-N 342.347 3.204 10 50 EGCA biogenic Cc1ccc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)s1 459377 MUGBSZHJWSFDDT-GXDHUFHOSA-N 342.445 3.230 10 50 EGCA CCOc1ccc(Br)c(/C=C2\SC(=S)NC2=O)c1 15016455 CSPNCTPXWLVGSU-POHAHGRESA-N 344.255 3.337 10 50 EGCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 5059222 JDIDXMIQPZADHS-GXDHUFHOSA-N 342.807 3.171 10 50 EGCA COc1ccc(N2CCN(C(=O)CCc3ccc(C)cc3)CC2)cc1 10371540 RQYMGTNHAOXLFE-UHFFFAOYSA-N 338.451 3.285 10 50 EGCA CCCCCN(CCCOC)C(=O)c1ccc(/[N+]([O-])=N/C#N)cc1 1875268814 MHUABPQZHMBODA-VZCXRCSSSA-N 332.404 3.431 10 50 EGCA CC(C)CN1CCN(Cc2c(O)ccc3ccccc23)C[C@@H]1CCO 19840141 OIUYYQRQQOUOLG-SFHVURJKSA-N 342.483 3.070 10 50 EGCA COc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H]2CCCO2)cc1 4516930 WUTHILHWWWFWPW-KRWDZBQOSA-N 329.396 3.360 10 50 EGCA Cc1ccsc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13130461 PJPVQHJGBFTRDK-VPMLRQHESA-N 325.480 3.437 10 50 EGCA COC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1168402 GXLVCEWYNAXQRF-FLIBITNWSA-N 341.841 3.104 10 50 EGCA CC(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 216022 HQMXVEISGVMDCV-UHFFFAOYSA-N 333.343 3.280 10 50 EGCA biogenic CN(Cc1ccccc1OC(F)(F)F)C(=O)Cc1ccc(N)cc1 225446991 GUEKZCJCELHAGH-UHFFFAOYSA-N 338.329 3.369 10 50 EGCA CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 16248011 GIDYNNPNMOCMFW-PZBCOFIESA-N 346.452 3.165 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 2768617 IMVHFLAMFNYBQH-UHFFFAOYSA-N 336.844 3.373 10 50 EGCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(Cl)c1Cl 2899375 RGFVYWKEZCEVIR-FMIVXFBMSA-N 333.174 3.455 10 50 EGCA Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N=C3O)c2C)c1 8741273 CULNREIDZZPCFG-UHFFFAOYSA-N 337.379 3.301 10 50 EGCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 1225686 ZTEJZFCPZQUXCF-XNTDXEJSSA-N 340.766 3.002 10 50 EGCA C[C@@H](C(=O)O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 841768994 XRJUSACTEMVUKN-ZIAGYGMSSA-N 327.380 3.203 10 50 EGCA COC(=O)c1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 1140390 GQUZISGQSQKHNB-JYRVWZFOSA-N 335.450 3.330 10 50 EGCA COc1ccc(N2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 2049252033 RQXAUJCOECZWTF-GHTZIAJQSA-N 343.515 3.082 10 50 EGCA CC(C)(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 12365007 BERNZRBKZLKWTM-QINSGFPZSA-N 330.453 3.287 10 50 EGCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 966947 UASDPBXQGSOVAT-LWYMYGMPSA-N 327.814 3.014 10 50 EGCA COc1ccc(N2CCN(C(=O)c3ccccc3SC)CC2)cc1 2873229 JBTQUVYGEUGKGW-UHFFFAOYSA-N 342.464 3.380 10 50 EGCA CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N=C3O)c2C)cc1 8997408 VRDCGIBYALCRFY-UHFFFAOYSA-N 337.379 3.246 10 50 EGCA O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccccc1 10113199 BTBARNVGVIOYEJ-UHFFFAOYSA-N 330.453 3.155 10 50 EGCA CC(C)c1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)no1 286101008 VMFUPLBMPXHDMG-UHFFFAOYSA-N 349.774 3.126 10 50 EGCA CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(C(=O)O)c1 911322185 AXLYCYPXPHDDLC-UHFFFAOYSA-N 327.380 3.451 10 50 EGCA CN(C)Cc1cc(-c2nccn2-c2ccc3c(c2)OCO3)ccc1O 67805132 QSQFGEYPLFXBQZ-UHFFFAOYSA-N 337.379 3.035 10 50 EGCA CC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(N(C)C)cc1 4758053 OHELOTZZZHQCEL-UHFFFAOYSA-N 335.411 3.283 10 50 EGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC1CCCCC1 100149065 XHNBYMUJVXRIHK-LFIBNONCSA-N 328.372 3.124 10 50 EGCA Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c(O)c1O 182477704 IZUSDICTRYORSU-AWEZNQCLSA-N 329.371 3.250 10 50 EGCA Cc1cccc(-n2c(C)cc(C(=O)NCc3csc(=O)[nH]3)c2C)c1 124191963 HDAPITXLJIPWJZ-UHFFFAOYSA-N 341.436 3.082 10 50 EGCA O=C(Nc1cccc(N2CCCC2)c1)c1cccc(-c2ncn[nH]2)c1 161077160 XNAQTQIPSYITLH-UHFFFAOYSA-N 333.395 3.324 10 50 EGCA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)cc1 12413433 KMOWDNVGJQHOGD-BOPFTXTBSA-N 343.423 3.414 10 50 EGCA O=C(c1cccc(O)c1O)N1CCC(Oc2ccccc2Cl)CC1 185888313 HUXACQJJDVXPES-UHFFFAOYSA-N 347.798 3.435 10 50 EGCA COc1ccc(N2CCN(C(=O)CCc3cccs3)[C@@H](C)C2)cc1 72421476 KMLDQSWFMFWSCH-HNNXBMFYSA-N 344.480 3.427 10 50 EGCA Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1-c1ccc(F)cc1 237676644 SZOWAPJAXFZDEU-UHFFFAOYSA-N 344.386 3.170 10 50 EGCA COc1ccccc1N1C(=O)N=C(O)/C(=C/C=C/c2ccco2)C1=O 9014297 SHTVFFSGJJLIFG-GVVZRPPFSA-N 338.319 3.351 10 50 EGCA CCOc1ccccc1CN1CCN(c2ccc(OC)cc2)CC1 55543350 LYOACIGGGLBXHC-UHFFFAOYSA-N 326.440 3.416 10 50 EGCA CCOc1ccc(CN[C@H]2CCS(=O)(=O)c3ccccc32)cc1C 170084511 NYOYLGSJPAQVKC-KRWDZBQOSA-N 345.464 3.402 10 50 EGCA C[C@H]1CN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)C[C@@H](C)O1 13125313 PDSWZIXYNCJANZ-BETUJISGSA-N 339.391 3.261 10 50 EGCA CCCn1nc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C 170608835 CCSMWZKCOABYFL-UHFFFAOYSA-N 342.443 3.015 10 50 EGCA CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC 6531057 ZUEZJFKUYRXIFH-UHFFFAOYSA-N 342.461 3.043 10 50 EGCA CC(=O)NC1(Nc2cccc3ccccc23)C(=O)c2ccccc2C1=O 12379483 UTYWLLIOLARRSR-UHFFFAOYSA-N 344.370 3.163 10 50 EGCA Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)s1 1857666678 ZRHCTPGBIWNRSG-UHFFFAOYSA-N 346.408 3.027 10 50 EGCA COc1ccc(N2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 299373 LJBBOCFGFVNMPP-UHFFFAOYSA-N 345.443 3.353 10 50 EGCA COc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 55543255 CLAVJIVZXNSTCS-UHFFFAOYSA-N 325.456 3.083 10 50 EGCA COC(=O)CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 176704 WEAMOHFYLVQCKV-UHFFFAOYSA-N 328.751 3.220 10 50 EGCA N=C1/C(=C/c2ccco2)C(=O)N=C2SC(Cc3ccccc3)=NN12 3863457 WLXZQPGTTPHMJH-JADYNCEHSA-N 336.376 3.141 10 50 EGCA Oc1ccc(Br)cc1[C@@H]1NCC[C@]2(O)CCCC[C@@H]12 22017481 XJNHERYXWJGEHS-AEGPPILISA-N 326.234 3.110 10 50 EGCA COc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O 1192376 ABFHLWOYDRMSRZ-POHAHGRESA-N 344.255 3.289 10 50 EGCA COc1ccc(N2CCN(C(=O)[C@]3(C)CCCCO3)CC2(C)C)cc1 91915112 UPWGQZJGDOEVOQ-FQEVSTJZSA-N 346.471 3.082 10 50 EGCA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(c3cccs3)=NN12 6243080 LLVPHKJAAZXBFS-YMKMMDQASA-N 344.446 3.477 10 50 EGCA Cc1ccc(C=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)s1 1857666686 MUGBSZHJWSFDDT-UHFFFAOYSA-N 342.445 3.230 10 50 EGCA CCc1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)no1 97307318 RRUFCUPKHKVEEP-AWEZNQCLSA-N 327.428 3.403 10 50 EGCA Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(=S)NC1=O 1234206 GZGZRNVWFMRFIZ-YRNVUSSQSA-N 335.841 3.323 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Cl)c1 49740535 SJVOYHGMIMVVRI-UHFFFAOYSA-N 345.830 3.498 10 50 EGCA CC(=O)c1cccc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)c1 9422199 FAOFLIYTWVIJMZ-UHFFFAOYSA-N 339.391 3.462 10 50 EGCA CCCCC1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 2970696 BAUXFQCGLRBXKA-UHFFFAOYSA-N 343.173 3.432 10 50 EGCA O=C1/C(=C\c2cccc(O)c2O)SC(=S)N1Cc1ccccc1 12729753 ONAZKRHHQUOXCZ-NTEUORMPSA-N 343.429 3.499 10 50 EGCA CCC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 87313 NVKXHMNIODKIRH-OAHLLOKOSA-N 341.323 3.057 10 50 EGCA CCCCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 2824624 NPWJXAHATIYFLI-SEYXRHQNSA-N 332.450 3.035 10 50 EGCA O=C(O)CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S 1870848 IKSSQUDPQCNNNX-LUAWRHEFSA-N 325.411 3.126 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)no3)[C@H](C)C2)cc1 20868927 QNSLWSRPFWWUNW-CQSZACIVSA-N 343.427 3.158 10 50 EGCA CN1CC[C@@](C)(CNC2CCN(c3ccc4c(c3)CCC4)CC2)C1 823754934 GGMWVZRXAWKXSF-NRFANRHFSA-N 327.516 3.076 10 50 EGCA CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 90778 GIDYNNPNMOCMFW-QYAPNPRASA-N 346.452 3.165 10 50 EGCA Cc1cc(NS(=O)(=O)c2ccccc2)cc(Br)c1O 65383 IZEPIYQQKNONMG-UHFFFAOYSA-N 342.214 3.264 10 50 EGCA COc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 19885388 GWPLSDDPYVONBW-CRFANRBNSA-N 342.424 3.360 10 50 EGCA CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O 6454519 VPOZDTXBXSBCDW-MSUIWEBISA-N 333.434 3.307 10 50 EGCA COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 1805597 FYHCKNAQYIYBKZ-ZWKOTPCHSA-N 349.814 3.252 10 50 EGCA CCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1216013 WUDKRWKBGKVDAZ-RAXLEYEMSA-N 335.450 3.149 10 50 EGCA COC(=O)/C=C1\SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O 13111190 CHILQTLHZRNFJX-UITAMQMPSA-N 331.180 3.092 10 50 EGCA COc1ccc(N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 2495864 KIFZAYZKDPHZQS-UHFFFAOYSA-N 342.439 3.035 10 50 EGCA CCOCc1cc(CN[C@H]2COc3ccccc3C2)ccc1OC 19730755 MZDAFRGLCXOUIV-GOSISDBHSA-N 327.424 3.325 10 50 EGCA CCCn1ncnc1[C@@H](C)NC(=O)c1c(C)c2cc(F)ccc2n1C 299786342 LBRJJMHKBSMNFN-GFCCVEGCSA-N 343.406 3.118 10 50 EGCA CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)N(c2ccccc2)N=C1C 13466700 YICZCQJFRONCSB-ISLYRVAYSA-N 344.374 3.128 10 50 EGCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 4982625 LJASVJZFNSJOAN-WJDWOHSUSA-N 335.363 3.412 10 50 EGCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 459549 NBUFXEWVULAYRF-LHQXNBGVSA-N 336.322 3.048 10 50 EGCA CC(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O 87218 FNQPYSGPNBPVSM-CQSZACIVSA-N 343.364 3.136 10 50 EGCA CCC(=O)OCCNc1ccc2noc3c2c1C(=O)c1ccccc1-3 2294811 LBTHHLSFUIXRSP-UHFFFAOYSA-N 336.347 3.404 10 50 EGCA COc1ccc(N2CC3(CN(Cc4cccc5[nH]ccc45)C3)C2)cc1 2100555301 PSRLYOBMHVVMGJ-UHFFFAOYSA-N 333.435 3.499 10 50 EGCA O=S(=O)(NCc1ccccc1)c1cc(Cl)cc(Cl)c1O 4539377 KAOCWZPJEXPLQI-UHFFFAOYSA-N 332.208 3.178 10 50 EGCA COC(=O)c1coc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)c1 222311854 OUVOBABKPWKOPF-ZSOIEALJSA-N 342.376 3.457 10 50 EGCA COc1ccc(OC)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 13114127 XPBDHMNZHQPGKH-PTNGSMBKSA-N 332.425 3.160 10 50 EGCA COc1ccc(-c2coc3c(CN(C)C)c(O)ccc3c2=O)cc1 20411886 ONLJPOVJEBGINZ-UHFFFAOYSA-N 325.364 3.236 10 50 EGCA biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)c1 2936969 NHDURYKVIZMGAZ-MHWRWJLKSA-N 338.338 3.109 10 50 EGCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] 4918791 REMVZNXYAXNTHB-UHFFFAOYSA-N 342.760 3.063 10 50 EGCA COc1cccc([C@@H]2CCN(Cc3cc(C)ccc3O)C[C@H]2O)c1 65404950 ILBIWZQSLFFGOV-AZUAARDMSA-N 327.424 3.060 10 50 EGCA Cc1ccc(C(=O)N2CCC(NCc3cccc(F)c3O)CC2)cc1 1875284590 ANIJUNIKKWYAQH-UHFFFAOYSA-N 342.414 3.234 10 50 EGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccsc3)C2=O)c1 448896 PJAVRTVUFILJHE-RIYZIHGNSA-N 326.377 3.031 10 50 EGCA COc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1 533101 TWVXNXCPVXTORO-UHFFFAOYSA-N 342.464 3.136 10 50 EGCA O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC2(CCCC2)O1 895620057 PWDNPDBWEGSWII-ZDUSSCGKSA-N 338.835 3.337 10 50 EGCA COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O 24632 YUSYSJSHVJULID-WAYWQWQTSA-N 332.352 3.303 10 50 EGCA biogenic,in-vitro CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2c(=O)o1 170614548 LERKTWCMNLKUHS-UHFFFAOYSA-N 336.391 3.131 10 50 EGCA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(O)cc1 1208880 YZVUEWHNJVXMMY-ZSOIEALJSA-N 345.401 3.209 10 50 EGCA Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)[nH]1 1293951 QNSCALFNFLCAKT-NTEUORMPSA-N 325.393 3.303 10 50 EGCA Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 17041171 JCKIXBCDEZGXDZ-LJQANCHMSA-N 325.457 3.166 10 50 EGCA Oc1c(F)cccc1CN(CCCn1ccnc1)Cc1cccnc1 55309070 JAFAAXJLTLGVFW-UHFFFAOYSA-N 340.402 3.215 10 50 EGCA O=[N+]([O-])c1ccc(N2CCOCC2)cc1OCCc1ccccc1 4007948 TUJYLLGQQBBYRD-UHFFFAOYSA-N 328.368 3.053 10 50 EGCA CCc1cccc2c1NC(=O)/C2=C1/C(=O)N(c2ccccc2)N=C1C 15015671 JRZPKZBIXWJSGU-WUKNDPDISA-N 331.375 3.377 10 50 EGCA CCc1ncc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cn1 95374912 AXPBPPRTSREUIK-HNNXBMFYSA-N 338.455 3.205 10 50 EGCA COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 253431203 ZNUQYQAEMZEWAZ-KRWDZBQOSA-N 340.379 3.107 10 50 EGCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1 4151783 GEGGTBIWOGMWQL-UHFFFAOYSA-N 328.327 3.109 10 50 EGCA Cc1noc([C@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 534661392 ACONBTKDTYXMIG-ZDUSSCGKSA-N 326.444 3.186 10 50 EGCA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 1260777366 JLYYFXOUXSXFSZ-UHFFFAOYSA-N 327.789 3.163 10 50 EGCA Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc2c(c1)CC[C@@H](C)N2C 6659374 WIWMVIMEBGCRDF-YXHQGMJNSA-N 336.391 3.123 10 50 EGCA CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 284670498 HPQAZXDREDLOQP-LPHOPBHVSA-N 327.428 3.019 10 50 EGCA COc1cccc([C@H]2CCN(Cc3cc(C)ccc3O)C[C@@H]2O)c1 1565513171 ILBIWZQSLFFGOV-QUCCMNQESA-N 327.424 3.060 10 50 EGCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 432540 KXGTYNGQIMUCBR-XYOKQWHBSA-N 348.836 3.233 10 50 EGCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OC 104015 LHAAJWYSWRSBSD-UHFFFAOYSA-N 348.395 3.340 10 50 EGCA COCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=S 4803597 TWBXSXVEXMFUOS-WQLSENKSSA-N 343.857 3.196 10 50 EGCA Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 17041168 JCKIXBCDEZGXDZ-IBGZPJMESA-N 325.457 3.166 10 50 EGCA Cc1ccc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)cc1 2543494 GOZNRJONTNNVAT-UHFFFAOYSA-N 344.392 3.250 10 50 EGCA Cc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1 341304 DLFPKTZDAZRWMY-JYRVWZFOSA-N 346.795 3.376 10 50 EGCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)s3)C2=O)cc1 4754999 IJGCSYXRWVYHNZ-GDNBJRDFSA-N 340.404 3.285 10 50 EGCA CCOC(=O)[C@H]1CCCN(Cc2cc(-c3ccccn3)ccc2O)C1 299765854 YRNHTWWVBPYKHS-INIZCTEOSA-N 340.423 3.229 10 50 EGCA COc1cc(C)c(CN2CCOc3cc(N(C)C)ccc32)cc1OC 170596220 BORFVGMBIOHBEU-UHFFFAOYSA-N 342.439 3.477 10 50 EGCA COCCOc1cc(F)c2c(Nc3ccc(N)cc3)ncnc2c1 1772768882 HXMGKWOQQHQRPW-UHFFFAOYSA-N 328.347 3.120 10 50 EGCA COc1ccc(N2CCC(NC[C@H](O)c3ccc(F)cc3)CC2)cc1 124836448 BHGBSMVCSZWGQE-FQEVSTJZSA-N 344.430 3.126 10 50 EGCA Cc1cc(CN[C@@H](C)c2cc(F)ccc2O)nc(N2CCCC2)n1 293655348 LOEKKZGVNIOOIA-ZDUSSCGKSA-N 330.407 3.081 10 50 EGCA CC(C)c1nc2n(n1)C[C@H](NCc1c(O)ccc(Cl)c1F)CC2 190973965 IGDVWTYLCQOJJO-SNVBAGLBSA-N 338.814 3.004 10 50 EGCA O=C(O)c1cc(N/N=N/c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 3897416 OXLHMIURMJJYGM-UHFFFAOYSA-N 331.244 3.312 10 50 EGCA O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 13377936 UHRUXUCWHIGENP-UHFFFAOYSA-N 330.380 3.424 10 50 EGCA biogenic,in-vitro CCn1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cn1 13959946 VPIFJPHYWKLJCM-ZSOIEALJSA-N 329.450 3.304 10 50 EGCA COc1ccccc1-c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 184138 FDFFLGYHSZRRRL-UHFFFAOYSA-N 328.320 3.175 10 50 EGCA biogenic Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N)cc3)cc2)cc1 274689 RPOHXHHHVSGUMN-UHFFFAOYSA-N 346.390 3.356 10 50 EGCA CC(C)CN1CCN(Cc2c(O)ccc3ccccc23)C[C@H]1CCO 104332859 OIUYYQRQQOUOLG-GOSISDBHSA-N 342.483 3.070 10 50 EGCA CC1(C)C[C@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1F 216072930 DCBYALXZPUTFDP-LJQANCHMSA-N 329.371 3.221 10 50 EGCA O=C(O)CN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S 1214917 HSUGOEFDHKSPDR-MDWZMJQESA-N 329.402 3.126 10 50 EGCA CCCc1c(C(=O)NCc2cccc(O)c2O)cnn1C1CCCC1 952994127 QHROONYPMYONFZ-UHFFFAOYSA-N 343.427 3.292 10 50 EGCA Cc1cc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C 170646392 OEEUGYHNOZCTDD-INIZCTEOSA-N 334.460 3.498 10 50 EGCA COc1cccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccco3)C2=O)c1 17042608 UNEUCEBISLGIQR-RNEAAXAUSA-N 338.319 3.351 10 50 EGCA CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 270220 ZURFVLHJCDOQBK-SFHVURJKSA-N 335.407 3.232 10 50 EGCA O=C(NCc1ccc(O)c(O)c1)[C@@H](F)c1ccc(C(F)(F)F)cc1 253392604 DORDZCMSALBOFP-AWEZNQCLSA-N 343.276 3.444 10 50 EGCA COc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 215834 SIXGPTCFNSBXEJ-UHFFFAOYSA-N 341.411 3.058 10 50 EGCA O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CN1CCCCC1 19607826 JPZQLPGNIPOVPS-GXDHUFHOSA-N 336.457 3.470 10 50 EGCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccsc1 5091752 RVLUQWKSJUGSRV-GHXNOFRVSA-N 348.836 3.233 10 50 EGCA CCCCCN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21 13615121 DDORMDSQFBNRPW-SEYXRHQNSA-N 332.450 3.082 10 50 EGCA COc1cc([N+](=O)[O-])cc(CN2CCCC[C@H]2c2cccnc2)c1O 22078448 FNNQKVZPXDTDMJ-INIZCTEOSA-N 343.383 3.431 10 50 EGCA O=C(NCc1ccc(O)c(O)c1)c1ccc(N2CCCCCC2)cc1 934945376 ZUGOCMPCIHYMQY-UHFFFAOYSA-N 340.423 3.408 10 50 EGCA Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(O)cs1 756807346 XIKJZHBCEMUDDZ-ZDUSSCGKSA-N 341.436 3.417 10 50 EGCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 17196692 NNWLPFQBLCNFON-UHFFFAOYSA-N 332.768 3.355 10 50 EGCA biogenic CC(=S)/C=C1\Sc2ccccc2N1CCCS(=O)(=O)O 13476553 HDJUUIBHEDZSMB-LCYFTJDESA-N 329.468 3.108 10 50 EGCA O=C1c2ccc3[nH]c(-c4ccncc4)nc3c2C(=O)[C@H]2C=CC=C[C@H]12 219035461 KSFIWHOAKHULIV-STQMWFEESA-N 327.343 3.362 10 50 EGCA CC(C)(C)[C@H]1CN(C(=O)c2ccoc2CC(N)=O)c2ccccc21 367692631 YLFRZKWHZVZCHK-AWEZNQCLSA-N 326.396 3.098 10 50 EGCA CCc1csc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)n1 823542483 HJUWZHGZVPBHML-UHFFFAOYSA-N 345.468 3.193 10 50 EGCA CCOC(=O)C1CCN(Cc2cc(-c3cccnc3)ccc2O)CC1 11787796 KZZOXOXBDDBVDB-UHFFFAOYSA-N 340.423 3.229 10 50 EGCA COc1ccc(N2CCN([C@H]3CCCN(CC=C(C)C)C3)CC2)cc1 20536067 JYRAEADDLDSQDW-FQEVSTJZSA-N 343.515 3.248 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl 13646231 SROIAAVAVFEZNG-UHFFFAOYSA-N 330.815 3.107 10 50 EGCA C[C@@H](NC(=O)C1CCN(Cc2ccccc2O)CC1)c1ccccc1 4599675 YGBNFDSTUQSHQM-MRXNPFEDSA-N 338.451 3.482 10 50 EGCA CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCCCC3)c12 547292 WCYGMKRLXIWQNS-UHFFFAOYSA-N 330.428 3.355 10 50 EGCA COc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 55542970 ZXPBMJCGXPXKNL-UHFFFAOYSA-N 325.456 3.083 10 50 EGCA COc1ccc(O)c(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 19720886 UAJUBANLYREQBU-LJQANCHMSA-N 340.467 3.497 10 50 EGCA CC[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1O 156977549 SLJVFECNRJEJAN-KBXCAEBGSA-N 337.423 3.232 10 50 EGCA COc1ccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c(O)c1OC 894744461 AGZZKCDPHJRAIL-MRXNPFEDSA-N 347.386 3.122 10 50 EGCA C[C@H](NC(=O)C1CCN(Cc2ccccc2O)CC1)c1ccccc1 4599674 YGBNFDSTUQSHQM-INIZCTEOSA-N 338.451 3.482 10 50 EGCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 16400302 AZEDIJRJAPSNFS-ZROIWOOFSA-N 333.174 3.455 10 50 EGCA O=C(O)C[C@@H]1NC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O 71767396 WPRBBVICZAGPBR-YISVQYQQSA-N 338.323 3.002 10 50 EGCA Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 284691813 JCJLJIDHGVWPCM-ICSRJNTNSA-N 340.471 3.030 10 50 EGCA Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(O)cs1 756807345 XIKJZHBCEMUDDZ-CYBMUJFWSA-N 341.436 3.417 10 50 EGCA COCc1cc(CNCc2ccccc2-n2ccnc2)ccc1OC 952978584 AXXORCLORYUGHW-UHFFFAOYSA-N 337.423 3.317 10 50 EGCA Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 15012472 NRHJOUCEFHPYLD-NSIKDUERSA-N 333.750 3.067 10 50 EGCA CCCCCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 2672920 FSDYSNDTKVDWEU-YPKPFQOOSA-N 346.477 3.425 10 50 EGCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccco2)SC1=S 4860548 IVVCQRVZRJDYAP-UKTHLTGXSA-N 344.417 3.134 10 50 EGCA Cc1cc(CN[C@H](C)c2cc(F)ccc2O)nc(N2CCCC2)n1 293655345 LOEKKZGVNIOOIA-CYBMUJFWSA-N 330.407 3.081 10 50 EGCA CN1C=C/C(=C/c2sc3ccccc3[n+]2C)c2cc(C(N)=O)ccc21 685944497 KDWBWUSKERZGTH-UHFFFAOYSA-O 348.451 3.329 10 50 EGCA CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 252670701 LMKDNNMPFCUKBE-UHFFFAOYSA-N 349.459 3.303 10 50 EGCA CCCCC1(C)OC(=O)C(=Cc2ccc(OCC)c(OC)c2)C(=O)O1 2971034 SXGRHXXHZODSCX-UHFFFAOYSA-N 348.395 3.484 10 50 EGCA Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)s1 22215539 ZRHCTPGBIWNRSG-FLIBITNWSA-N 346.408 3.027 10 50 EGCA CCOc1ccc(/C=C2\SC(=S)NC2=O)cc1Br 15746191 YYXZQOKQUKOYNO-POHAHGRESA-N 344.255 3.337 10 50 EGCA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(C2CC2)cs1 152985711 ZTOKHIBQWLOAAV-VIFPVBQESA-N 333.413 3.184 10 50 EGCA CN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 975346 VVQFMDVUUZPVCW-LCYFTJDESA-N 345.405 3.217 10 50 EGCA O=C1/C(=C\c2ccc(N3CCOCC3)cc2)c2cccc3c2N1CCC3 817346987 XIQAXHZDUWMUSW-HKWRFOASSA-N 346.430 3.357 10 50 EGCA COc1ccc(N2CCC(N3CCC[C@]4(CCOC4)C3)CC2)cc1 95376196 OJLXNFIYTZLVAM-FQEVSTJZSA-N 330.472 3.167 10 50 EGCA Cc1cc(=O)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)c(Cl)cc12 19791731 SAJYOPWDHYJDOJ-GHMZBOCLSA-N 337.803 3.070 10 50 EGCA CCC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 87326 NVKXHMNIODKIRH-HNNXBMFYSA-N 341.323 3.057 10 50 EGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)c1 2935667 GFGCMCLDJDIDRK-GZTJUZNOSA-N 334.375 3.278 10 50 EGCA Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 1187375 GIKMPSKYUKJENL-UKTHLTGXSA-N 344.417 3.134 10 50 EGCA CC[C@H](NCCc1ccnn1C)c1cc(Br)ccc1O 158119545 DYEMUGNPSMBYOK-AWEZNQCLSA-N 338.249 3.172 10 50 EGCA N=C1/C(=C\c2ccco2)C(=O)N=C2SC(Cc3cccs3)=NN12 3863483 CMUJOOWHVNOPMT-ZQJZDCJSSA-N 342.405 3.203 10 50 EGCA CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CC)c2ccccc21 32617994 XOPPTERTDOHIPO-DTQAZKPQSA-N 345.402 3.324 10 50 EGCA Cc1c[nH]ccc1=NCCNC(=O)c1cc(C)n(-c2ccccc2)c1C 828145245 WNDJOSSODLUNCX-UHFFFAOYSA-N 348.450 3.061 10 50 EGCA CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=S 16101959 VSDCHMHNRORSMN-ACCUITESSA-N 338.479 3.286 10 50 EGCA O=C(O)C[C@H]1NC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O 71767397 WPRBBVICZAGPBR-ATQAJOFPSA-N 338.323 3.002 10 50 EGCA O=C1NN=C(c2ccccc2)C1=CNc1ccc(OC(F)(F)F)cc1 2053528199 OYRDRKKJTKIXAX-UHFFFAOYSA-N 347.296 3.415 10 50 EGCA O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]c3c(c2c1)CCCC3 182521723 UGYNWFWUEVCLKC-UHFFFAOYSA-N 336.391 3.388 10 50 EGCA Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1 15798855 DLFPKTZDAZRWMY-MDWZMJQESA-N 346.795 3.376 10 50 EGCA CCCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 16115460 OCPHUMLUYWKKJA-KAMYIIQDSA-N 337.466 3.323 10 50 EGCA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 13667868 ZNQQIBFVDRTQMW-UHFFFAOYSA-N 330.815 3.107 10 50 EGCA COc1ccccc1-c1coc2c(CN(C)C)c(O)ccc2c1=O 19790382 ZXEHNIGPWQUWCN-UHFFFAOYSA-N 325.364 3.236 10 50 EGCA biogenic Cc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 6556404 ZVWHFHQBQHDONN-UHFFFAOYSA-N 334.331 3.365 10 50 EGCA O=C1/C(=C/Nc2ccccn2)C(C(F)(F)F)=NN1c1ccccc1 100609734 OFJQOXZGRZDFKO-ZRDIBKRKSA-N 332.285 3.343 10 50 EGCA O=C(NC1CCCCCC1)C1CCN(Cc2ccccc2O)CC1 22241665 JSVQEVYOPRIPQG-UHFFFAOYSA-N 330.472 3.443 10 50 EGCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 16309490 RAGJGJAXSOVRAX-SBFJKYRKSA-N 334.400 3.074 10 50 EGCA COC(=O)c1ccc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 16267141 QUKGWTZQHGXNMD-JXCQQFQQSA-N 344.436 3.175 10 50 EGCA Cc1noc([C@@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 534661391 ACONBTKDTYXMIG-CYBMUJFWSA-N 326.444 3.186 10 50 EGCA O=C(Nc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 4770150 MSRBGBUFKKUCQV-UHFFFAOYSA-N 343.338 3.420 10 50 EGCA COc1ccc(N2CCN(Cc3ccncc3Cl)[C@H](C)C2)cc1 215478225 PKGAYZSMHRKKTF-CQSZACIVSA-N 331.847 3.454 10 50 EGCA CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 13562923 LBBKMNQDYDYXGA-VBKFSLOCSA-N 338.338 3.175 10 50 EGCA CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S 1013923 CBAFQPVCJDQMPM-LCYFTJDESA-N 345.401 3.330 10 50 EGCA Cc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 1188740 AAUGGRRBBRLVDR-RPHSKFLZSA-N 335.450 3.305 10 50 EGCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 967129 VLLOARWETXZASK-RAXLEYEMSA-N 335.450 3.315 10 50 EGCA Nc1ccc(Cc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 3096514 SXKBQLZMICXHNV-WOUAJJJCSA-N 344.414 3.171 10 50 EGCA Nc1c(Cl)cc(N2CCCC2)c2c1C(=O)c1ccccc1C2=O 4819996 OONQJOCJFNKBMS-UHFFFAOYSA-N 326.783 3.298 10 50 EGCA CN1CC[C@](C)(CNC2CCN(c3ccc4c(c3)CCC4)CC2)C1 823754935 GGMWVZRXAWKXSF-OAQYLSRUSA-N 327.516 3.076 10 50 EGCA Cc1cc(C(=O)Cn2c(C(C)C)noc2=O)c(C)n1-c1ccccc1 1875391605 IMUQKGFNMABFON-UHFFFAOYSA-N 339.395 3.250 10 50 EGCA Fc1cc(CNc2nc(C3CC3)ns2)ccc1N1CCOCC1 170654118 QGMGGPAQTZEDNU-UHFFFAOYSA-N 334.420 3.003 10 50 EGCA Cn1nccc1[C@@H]1OCC[C@H]1NCc1ccc(N2CCCCC2)cc1 2332239549 JCJLJIDHGVWPCM-UYAOXDASSA-N 340.471 3.030 10 50 EGCA CC1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 39163 CQIRARNWTQEICQ-VBKFSLOCSA-N 329.469 3.455 10 50 EGCA C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccccc1O 67802945 GXBZBMIFHNTRDL-ZDUSSCGKSA-N 337.379 3.185 10 50 EGCA O=C(c1ccccc1)c1coc2ccc(O)c(CN3CCOCC3)c12 19774995 XLCRVPITJLFMNO-UHFFFAOYSA-N 337.375 3.202 10 50 EGCA COC[C@H](NCc1ccc(Br)cc1O)c1ccco1 825325145 BJASFTQKNMTVJZ-LBPRGKRZSA-N 326.190 3.225 10 50 EGCA Cc1cc(C)c2c(c1)N(C(=O)c1cn(C)nc1-c1cnn(C)c1)CCC2 364116681 AHFSLRHSYZIVTE-UHFFFAOYSA-N 349.438 3.030 10 50 EGCA COc1ccc(CN2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 37865600 MQGAFEIEODXTGX-GDNBJRDFSA-N 342.445 3.492 10 50 EGCA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1C(F)F 935309306 AYBVKVTUUCUUQM-QMMMGPOBSA-N 327.352 3.458 10 50 EGCA COc1ccc(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)cc1 36001014 IOLYZLTXFBKLEY-UHFFFAOYSA-N 344.842 3.354 10 50 EGCA Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 85319 SXKBQLZMICXHNV-OBMJPTGESA-N 344.414 3.171 10 50 EGCA CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1OC 4694793 OVUOJGWWMUTEJF-RVDMUPIBSA-N 332.425 3.160 10 50 EGCA CC(C)COC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1168306 VNJWXDXZEQUVNT-UVTDQMKNSA-N 349.477 3.477 10 50 EGCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccsc1 1857666696 RVLUQWKSJUGSRV-UHFFFAOYSA-N 348.836 3.233 10 50 EGCA Cc1ccsc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 15769811 GNRDHRCZBXXMIE-SDNWHVSQSA-N 344.436 3.409 10 50 EGCA COc1ccc(O)c([C@@H](C)NC2CCN(Cc3ccncc3)CC2)c1 185068870 YHUSBZXCRYPHIT-OAHLLOKOSA-N 341.455 3.111 10 50 EGCA Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O 3878182 PXNNPGGYHAWDJW-UHFFFAOYSA-N 342.354 3.297 10 50 EGCA Cc1ccc([C@H](C)NC(=O)CNCc2ccc3c(c2)CCCO3)cc1 65386576 ILYPKTUIWVKYIV-INIZCTEOSA-N 338.451 3.287 10 50 EGCA CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2O)C1 19594999 LSCYASZXPGHCDI-IBGZPJMESA-N 325.456 3.274 10 50 EGCA O=C1c2ccccc2C(=O)C1c1ccc(I)cc1 100469306 UTLQYSLZKWYNOX-UHFFFAOYSA-N 348.139 3.454 10 50 EGCA Oc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1 20406428 OADJDRVXCLYBDZ-UHFFFAOYSA-N 346.434 3.171 10 50 EGCA Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1 471236 XWGGRWMNOYKCQL-UHFFFAOYSA-N 327.409 3.089 10 50 EGCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccs1 37858843 ZVSUCEDIYKLJFH-DHDCSXOGSA-N 340.404 3.016 10 50 EGCA CC[C@H](C)c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1 171531816 LSQUPVNQUMKYCW-AWEZNQCLSA-N 332.469 3.303 10 50 EGCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Cl 4974051 GVJOWFQLWQKKOJ-RAXLEYEMSA-N 326.739 3.006 10 50 EGCA COc1ccc(O)c(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 19791422 FHOXHLNJQGNWRP-UHFFFAOYSA-N 346.858 3.372 10 50 EGCA CC(C)=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 457105 FGQKDQZUFNBIPZ-UHFFFAOYSA-N 335.860 3.385 10 50 EGCA COc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1OC 63052 LXQBKQJXRIRGBZ-WJDWOHSUSA-N 346.452 3.406 10 50 EGCA COc1ccc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 8138880 IELILDITOIRPOZ-UHFFFAOYSA-N 349.434 3.149 10 50 EGCA CCc1c(NC(=O)N2Cc3cccc(O)c3C2)cnn1CC(C)C 930554542 NERIPEYQNDKBCD-UHFFFAOYSA-N 328.416 3.355 10 50 EGCA COc1ccc(C)cc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 71775353 OXRXNDRPIHSNCL-UHFFFAOYSA-N 336.395 3.083 10 50 EGCA CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(C)cc3)o2)CC1 190369 FOJCZLNUKOZXMA-UHFFFAOYSA-N 328.437 3.095 10 50 EGCA Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 65561132 OSJIBRYKYAJWMT-QGZVFWFLSA-N 338.451 3.252 10 50 EGCA COc1ccc(CNCc2cccc(CO)c2)cc1CN1CCCC1 952962859 INXUJMMVGGGIKI-UHFFFAOYSA-N 340.467 3.073 10 50 EGCA Cc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 1188746 AAUGGRRBBRLVDR-LLBKUYECSA-N 335.450 3.305 10 50 EGCA CCCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2ccccc21 12411124 DBWQGUALRHFFEM-YPKPFQOOSA-N 346.477 3.423 10 50 EGCA COCCN1C(=O)/C(=C/c2ccc(SC)cc2)SC1=S 2987935 GWKNWTXAAQBCLS-XFXZXTDPSA-N 325.480 3.256 10 50 EGCA CCOc1cc2c(cc1OC)[C@H](c1ccc(N(C)C)cc1)NCC2 20494264 YTEHIFHPOCHALW-FQEVSTJZSA-N 326.440 3.395 10 50 EGCA O=C(COc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 65362469 SDAWYBHIGHRYEK-UHFFFAOYSA-N 328.387 3.121 10 50 EGCA C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5214130 ZEHMKIXTESILQT-FSEMZKDTSA-N 327.814 3.014 10 50 EGCA COc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 6703827 MDZLIUSYWRUMLA-UHFFFAOYSA-N 325.412 3.358 10 50 EGCA CCOc1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O 23281771 ADRVFGDOTFNKRX-UHFFFAOYSA-N 330.403 3.252 10 50 EGCA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c2nonc12 17072636 BMLJSGHFSDBTIB-VIFPVBQESA-N 349.799 3.016 10 50 EGCA Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc2c(c1)CC[C@H](C)N2C 6659373 WIWMVIMEBGCRDF-VAKHEIKFSA-N 336.391 3.123 10 50 EGCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1O 314086 ORYTUYUCLOMYRU-YRNVUSSQSA-N 349.173 3.160 10 50 EGCA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 275426102 DXIONXFBFDTXEF-OALUTQOASA-N 340.471 3.030 10 50 EGCA CN(C)c1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 1087662 HAKYJFVGDFGUFB-MFYHJKBNSA-N 348.493 3.133 10 50 EGCA C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C[C@H](C)O1 4310906 KSHCHYOIEUKLGN-ZCJISOJFSA-N 336.844 3.420 10 50 EGCA CC[C@@H](NCC1(N2CCCCC2)CCOCC1)c1ccccc1O 156535501 YUDOOVWQVXAVKM-GOSISDBHSA-N 332.488 3.468 10 50 EGCA O=C(C1CC1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 1457212 WLGIUOPXLNNEGM-UHFFFAOYSA-N 336.435 3.324 10 50 EGCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1220066 DOTHHFGGTSRPGO-RDQDRAATSA-N 339.413 3.136 10 50 EGCA CC[C@H](c1nc(C)no1)n1ccnc1-c1ccc(O)c(CN(C)C)c1 77375446 YQHULDBTVSLIOM-OAHLLOKOSA-N 341.415 3.008 10 50 EGCA Oc1ccc(-c2n[nH]cc2-c2cnn(-c3ccccc3)c2)c(O)c1O 569907 ZBVYVEFPHAVLTP-UHFFFAOYSA-N 334.335 3.046 10 50 EGCA O=C1CCCN1Cc1ccccc1NCc1cc(F)c(F)cc1O 1875286426 RJTIAZCCVVAYJI-UHFFFAOYSA-N 332.350 3.405 10 50 EGCA CC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O 87230 FNQPYSGPNBPVSM-AWEZNQCLSA-N 343.364 3.136 10 50 EGCA CC[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O 155074437 SGLMEVTXHQATAM-QGZVFWFLSA-N 328.412 3.331 10 50 EGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)cc1 112815 WVNAIIYWMQWBKZ-YBEGLDIGSA-N 329.396 3.024 10 50 EGCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccccc2)C1=O 1082421 MZMPDJLGEATSMX-YPKPFQOOSA-N 338.413 3.415 10 50 EGCA CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2666882 JFPZDUQOEJDKCD-SEYXRHQNSA-N 332.450 3.400 10 50 EGCA CC[C@@H](NCCc1nc(C)no1)c1cc(Br)ccc1O 156480709 CMGFVJVUZXXDDZ-GFCCVEGCSA-N 340.221 3.130 10 50 EGCA Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1-c1ccccc1 237676827 YKDXYIWFZNJJNF-UHFFFAOYSA-N 326.396 3.031 10 50 EGCA Cc1ccc(N2NC(=O)/C(=C/c3c(O)ccc4ccccc34)C2=O)cc1 334162942 IFDVJGASJBQSJG-PDGQHHTCSA-N 344.370 3.315 10 50 EGCA O=C(O)c1cc(F)cc2c1CN(Cc1ccc(Cl)cc1O)CC2 1875321157 WPDLYPIZGHLAKO-UHFFFAOYSA-N 335.762 3.441 10 50 EGCA CC1=C(C(=O)OC(C)C)[C@@H](c2c(O)ccc3ccccc23)NC(=O)N1 190164 YBNPYPJBZINQFP-KRWDZBQOSA-N 340.379 3.125 10 50 EGCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 1164440 AFPCYZAQANJAFL-AVMBBCFPSA-N 335.450 3.473 10 50 EGCA CC1=C[C@H](OC(C)(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]2C1 252427928 KQBFSZVDTUWIAF-BPNCWPANSA-N 330.380 3.243 10 50 EGCA O=C(O)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 966942 MCMUUPOKFPCOKG-WTKPLQERSA-N 348.232 3.279 10 50 EGCA Cc1ccc2c(c1I)C(=O)c1ccccc1C2=O 4532386 RHHQCJFVJCIMGW-UHFFFAOYSA-N 348.139 3.375 10 50 EGCA COc1ccc(OC)c(-c2ccc(O)c(CNC[C@@H]3CCCO3)c2)c1 299768345 UCBUXQLVJFLZDC-KRWDZBQOSA-N 343.423 3.345 10 50 EGCA Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2947478 NFWCCIXYFOLUBW-XNTDXEJSSA-N 340.766 3.315 10 50 EGCA COCCCN1C(=O)/C(=C\c2cccc(Cl)c2)C(C(=O)OC)=C1C 2844981 OGVLNTQOJDNPDL-PTNGSMBKSA-N 349.814 3.049 10 50 EGCA CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccccc1O 155288372 DUDZDUSZQLGDDO-GUYCJALGSA-N 348.468 3.102 10 50 EGCA C[C@H](NCc1cccc(N2CCOCC2)c1)c1cc(F)ccc1O 293691800 LEWRUSRSQZJOHQ-AWEZNQCLSA-N 330.403 3.219 10 50 EGCA CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 5094389 BQKQHCLZPZQTPU-UHFFFAOYSA-N 340.423 3.056 10 50 EGCA CCCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2288337 QIHNFCDKNPEABS-YPKPFQOOSA-N 346.477 3.425 10 50 EGCA Cc1cc(=O)oc2c(CN3C[C@H](C)O[C@@H](C)C3)c(O)c(Cl)cc12 19791732 SAJYOPWDHYJDOJ-QWRGUYRKSA-N 337.803 3.070 10 50 EGCA CCOc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)NCC2 20494267 YTEHIFHPOCHALW-HXUWFJFHSA-N 326.440 3.395 10 50 EGCA COc1ccc(CN2CCC(c3ccccn3)CC2)c(O)c1OC 891796202 KACQILUKSPFNEB-UHFFFAOYSA-N 328.412 3.184 10 50 EGCA CC[C@H](NCC1(N2CCCCC2)CCOCC1)c1ccccc1O 156535377 YUDOOVWQVXAVKM-SFHVURJKSA-N 332.488 3.468 10 50 EGCA CC[C@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1O 156977690 SLJVFECNRJEJAN-KDOFPFPSSA-N 337.423 3.232 10 50 EGCA COc1cccc(CN2CCCOc3c(cccc3OC)C2)c1O 65394472 FTHJFWFNODBZMZ-UHFFFAOYSA-N 329.396 3.194 10 50 EGCA Cc1c(CCNC(=O)c2n[nH]c3c2CCC3)c2cccc3c2n1CCC3 426511929 AWDMQIVILPBEBE-UHFFFAOYSA-N 348.450 3.080 10 50 EGCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 4996469 GMNZHMFLGNAZSL-DHDCSXOGSA-N 337.766 3.283 10 50 EGCA COc1ccc(CN[C@H]2CCS(=O)(=O)c3ccccc32)cc1C 225405844 NMIFKCPZANGUQT-INIZCTEOSA-N 331.437 3.012 10 50 EGCA C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C1 4844739 NLZMFOJBQKDOBV-KWWJGWKXSA-N 329.469 3.455 10 50 EGCA O=C(NCc1cccc(Cl)c1O)N[C@H](c1cccnc1)C1CC1 893886095 RTZMOVCBXMNKNY-HNNXBMFYSA-N 331.803 3.391 10 50 EGCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 344835 LDJUKZFDLRSGIK-NVNXTCNLSA-N 337.766 3.283 10 50 EGCA CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 15769200 RHEGZCRTDABJJQ-LDADJPATSA-N 348.402 3.472 10 50 EGCA Oc1ccc2occ([C@H](O)c3ccccc3)c2c1CN1CCOCC1 19339061 VCCKRONQOSFEHM-HXUWFJFHSA-N 339.391 3.052 10 50 EGCA