smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=N/NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103168268 MJIJPUASLTYJAU-KIBLKLHPSA-N 420.856 3.811 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O 587418750 CKARWRMBKWPWDF-QPUJVOFHSA-N 401.125 3.774 50 1 HHGF O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587322474 HFKDMICMPJZZRL-LNLFQRSKSA-N 407.235 3.813 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](Br)CC(=O)O)O2 587411139 BCAUSXDHXMEJQL-DYVFJYSZSA-N 410.289 3.738 50 1 HHGF COc1ccc(/C=N/NC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1 101622610 ZARBHRJRVDLIRO-IEWXFJLUSA-N 403.482 3.945 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 257430912 GYCBSZGIYPNYAB-SKCVXXAKSA-N 414.498 3.918 50 1 HHGF endogenous,in-man CC1=C2CC[C@](C)(O)[C@H](O)C[C@@H]2[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)C1 2356444089 KFLSWWBZSRPSLX-UIUSIFNCSA-N 401.385 3.940 50 1 HHGF CC[C@@H]1[C@H]2C[C@H](Br)[C@@]3(O2)O[C@@H]2C[C@H](C=C=CBr)O[C@H]2[C@@H]13 2356793389 KLIMLEBJXLDCGW-NSAMRONKSA-N 406.114 3.511 50 1 HHGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43328124 ZYZHUTWVVKBICK-BFLDKREJSA-N 410.507 3.889 50 1 HHGF COc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 13779077 BMUMVTUSRCNWHN-UHFFFAOYSA-N 415.453 3.851 50 1 HHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1 962978546 RQIMLUVJSOKULM-CXAGYDPISA-N 408.178 3.978 50 1 HHGF COc1cc2c(cc1OC)[C@](C(C)C)([C@H](C)Br)NCC21CCOCC1 963191557 PCFPCYSYFRKHNE-XOBRGWDASA-N 412.368 3.990 50 1 HHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)o1 1772583336 GVOFSOQORZSDFV-ZVHZXABRSA-N 414.421 3.882 50 1 HHGF COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586139 MGMYNCVXSYXOEY-GOSISDBHSA-N 400.276 3.742 50 1 HHGF O=C(NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 473124974 XUJMNNHBFNTAKC-UHFFFAOYSA-N 415.486 3.597 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCN4C(C)=O)([C@H](C)Cl)[C@@H](C2)C3=O 587418230 SVPWMNFQVFFQFY-SWYQQZATSA-N 411.885 3.874 50 1 HHGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)N=C=S)O1 2356818612 DURSZWYIMZPXJS-CDRNLTESSA-N 423.667 3.559 50 1 HHGF O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587322472 HFKDMICMPJZZRL-LMMKCTJWSA-N 407.235 3.813 50 1 HHGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(=O)oc2ccc(Cl)cc12 1857632170 GQUZWMSOEJIHHA-SFHVURJKSA-N 418.792 3.771 50 1 HHGF C=C1C[C@@]23C[C@H]1[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 2356529402 GGKPYEWCDNJRKB-DSQUULHISA-N 416.590 3.860 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@@H](C)Br)O2 587375890 VVQCREFAAHZYGD-WYRIXSBYSA-N 404.260 3.950 50 1 HHGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169340313 ZYZHUTWVVKBICK-JRTHAWPWSA-N 410.507 3.889 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)O)co2)N1 587684564 LBKWUIJVSQGWKB-BCTVWOGZSA-N 402.647 3.896 50 1 HHGF C[C@H](C(=O)NNC(=O)NCCc1ccccc1)c1cccc(Cc2ccccc2)c1 84597034 ZXUVKNXDJOONRW-IBGZPJMESA-N 401.510 3.954 50 1 HHGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1 100086824 DGIBMRNSOVIYLQ-FDCFBWIESA-N 403.891 3.824 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)[C@@H](C2)C3=O 587453239 QOLLSDAONZTIFN-PGASGAKPSA-N 405.903 3.663 50 1 HHGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689341 RURSMQDSUBZGHH-CQLKUDPESA-N 415.690 3.605 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccc(N(CCCl)CCCl)cc1)NO 1857647240 YKRPYLZHNJSUEJ-UHFFFAOYSA-N 404.338 3.755 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCCNC(C)=O)cc1)[C@@H](C2)C3=O 587417709 OVMPJWQWYYBFMP-WMZHIEFXSA-N 413.901 3.646 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 2356461863 WOXXSXDXNWLLQQ-ODLVBLMHSA-N 414.498 3.567 50 1 HHGF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@H]1Br)[C@@H](C2)C3=O 587418053 RHXGCIHXDMDESM-VPWXQRGCSA-N 401.256 3.666 50 1 HHGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587419813 ZRRHQUAUFCQVQN-SPLOXXLWSA-N 403.862 3.699 50 1 HHGF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCCCCC(=O)NN 587870380 GQFGZSFHTJAYMZ-UHFFFAOYSA-N 404.486 3.839 50 1 HHGF O=C(O)c1cccc2c(CN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587636670 BUJJGYPPQJHINS-UHFFFAOYSA-N 413.227 3.557 50 1 HHGF Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687761 HTZVRQVXSXHSDA-QPFGOUBPSA-N 415.690 3.605 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CC[C@H]2OC(C)=O 2356512796 FAHUDUVWJUBJRS-DZKVBSAQSA-N 408.491 3.722 50 1 HHGF O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 103169029 OPPMQWRRGYJXKH-UHFFFAOYSA-N 424.284 3.544 50 1 HHGF NC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541686 CYSPDICWXMZJIP-GCJKJVERSA-N 424.840 3.979 50 1 HHGF Cc1[nH]nc2c1[C@H](c1ccc([C@@H]3NCCc4c3[nH]c3ccccc43)cc1)C(C#N)=C(N)O2 1772620199 HIYOWPYKCWCHQD-YADHBBJMSA-N 422.492 3.653 50 1 HHGF C[C@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)NCCc2ccc(C(=O)N(C)C)cc21 962933207 SLTUPIMYKLRFCG-PSLXWICFSA-N 421.932 3.629 50 1 HHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)cc(CBr)c2)N1 963231592 NIIAXTQKSKYYGG-RTBURBONSA-N 415.262 3.957 50 1 HHGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@H](C)Cl)cc1 40974658 DELPEKZVPULTPK-NYHFZMIOSA-N 423.900 3.665 50 1 HHGF NCCSSCCCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 618007693 LRZZSRWBPQTCEE-UHFFFAOYSA-N 422.538 3.636 50 1 HHGF COc1cc2c(cc1OC)[C@@]1(NCCc3ccc(F)c(C)c31)[C@H](Br)C2 962089278 GHXHNIMREKULPD-UYAOXDASSA-N 406.295 3.860 50 1 HHGF O=C(N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cc(O)cc(O)c1 60310363 DYRFIERMQMNKAB-FMCGGJTJSA-N 410.813 3.734 50 1 HHGF COC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537115 ATMHOWNJJIWIKI-BEFAXECRSA-N 407.260 3.913 50 1 HHGF COC1=C/C(=C/NNC(=O)c2cc(-c3cccs3)nc3ccccc23)C=CC1=O 15952966 VEGVKDJSEZZXBA-BUHFOSPRSA-N 403.463 3.751 50 3 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587684923 MZALPAPZZJTGRJ-AYVTZFPOSA-N 402.651 3.841 50 1 HHGF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(COOC2)C[C@@H]1CN1CCCC1 43259949 BCQHCRNFVBIJOR-MRXNPFEDSA-N 413.345 3.571 50 1 HHGF C[C@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@@H]1Br 71317029 YAPATQLJHKARLV-BBIVZNJYSA-N 414.875 3.703 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 587728650 FUBWRAPYWZNEBQ-DGIBIBHMSA-N 406.226 3.980 50 1 HHGF CC[C@@]12Oc3c(OC)cccc3[C@H](O)[N@@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857566427 RCYYEJFATFDAHS-QORCZRPOSA-N 421.433 3.841 50 1 HHGF CC(C)CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@@H](c3nccs3)N2C1=O 2356805822 ZXZYMZDXGVCRAD-XDQVBPFNSA-N 418.390 3.872 50 1 HHGF COC1=CC=C/C(=C\NNC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C1=O 13125694 FEEPWGKUKUKHNK-KNTRCKAVSA-N 424.460 3.598 50 3 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 85635036 ISKWRTCZWOXOOF-GEOHBPFBSA-N 414.498 3.567 50 1 HHGF in-man CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)NC)O1 2356861569 UKMWJMVDJGVLDO-CDRNLTESSA-N 423.667 3.559 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@H](C)Br)O2 587375884 VVQCREFAAHZYGD-JEOXALJRSA-N 404.260 3.950 50 1 HHGF C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C1/C(=O)Nc2ccccc21 103189564 ASBQDRZFFYFUCS-MRVPVSSYSA-N 412.660 3.887 50 1 HHGF N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604903 ABHNLLGTLQXNBA-DENIHFKCSA-N 421.430 3.875 50 1 HHGF COc1ccc(Cc2c(N)nn3c2N[C@@H](c2ccc(Cl)cc2)C(C#N)=C3N)cc1 957605640 YVFDILAJNJXYNI-SFHVURJKSA-N 406.877 3.536 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@]31[C@H](Br)CCC(=O)C1(C)C 963059453 RFTITRGCVVOZNP-FOIQADDNSA-N 403.320 3.737 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415987 ZRFUUTHOVVKLQW-NBQZKYEYSA-N 417.255 3.576 50 1 HHGF CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1 587923659 CFONOIRPOQFKAU-ZSOIEALJSA-N 413.480 3.657 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 6069952 GYCBSZGIYPNYAB-GNMVUSIZSA-N 414.498 3.918 50 1 HHGF endogenous,in-man COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587429796 WZCYDNCECUCQGJ-IFXJQAMLSA-N 407.235 3.881 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CBr)(C1(C(=O)OCC)CC1)CC2=O 587456482 PEWDKSPFHLOUNE-LJQANCHMSA-N 411.292 3.787 50 1 HHGF C[C@@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1 5615840 KSMXVBWVKOAUPU-YKYCFZKJSA-N 412.493 3.941 50 1 HHGF COc1cccc(CN/C=C2\C=C(C=O)c3c(ccc4c(C)cc(=O)oc34)C2=O)c1 102898187 QSOWPUKLLNUNRQ-FOWTUZBSSA-N 401.418 3.562 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O 587418753 CKARWRMBKWPWDF-UFBFGSQYSA-N 401.125 3.774 50 1 HHGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356818615 DURSZWYIMZPXJS-UBVIZFPZSA-N 423.667 3.559 50 1 HHGF Br/C(I)=C/C(Br)Br 238784068 VRGQVTFBMFQTIH-IWQZZHSRSA-N 404.665 3.774 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)O)co2)N1 587685156 NZRZEXOMJBMGRP-VPTHRUTESA-N 402.647 3.896 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1ccc2c(c1)OCO2 963269611 LCMGVZVOSDWZBN-GOSISDBHSA-N 410.695 3.862 50 1 HHGF C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)C(=O)NN 28351020 MSEHDXNTCSPNTQ-ZDUSSCGKSA-N 422.535 3.585 50 1 HHGF O=C(O)Cc1cccc(CC[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 169336403 LULNMGLDEMLBSW-OAXXUWLJSA-N 421.497 3.847 50 1 HHGF C[C@@H](Br)[C@]1(Cc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962923729 JRGCJMXZNGDALV-VFNWGFHPSA-N 401.348 3.756 50 1 HHGF CC(C)(C)OC(=O)NN(CC[C@@H]1C=CCC1)c1nc(C#N)ncc1Br 64321325 ARQRTKIUWBKWAE-GFCCVEGCSA-N 408.300 3.713 50 1 HHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cn1nnc2ccccc21 587546806 XVUZCOMVPFOEEH-DENIHFKCSA-N 421.840 3.776 50 1 HHGF N#C/C=C/c1cccc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 73196584 AXHHDHSEUVTPBV-DUXPYHPUSA-N 409.829 3.598 50 1 HHGF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnccn2)N1 587672827 IJDPPEPZGMVEAK-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@@]31CCN(C(=O)OC(C)(C)C)C[C@H]1Cl 963039283 UKFMYVHYJXPTSN-VGOFRKELSA-N 417.937 3.833 50 1 HHGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 2356475756 OZVULSZVQZGKTL-GZZORMBGSA-N 401.035 3.695 50 1 HHGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 43524166 FRBMHRPOABKXCU-VRXWPRPYSA-N 422.930 3.891 50 1 HHGF C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 253632633 CHDXYDXFQUPQHT-RKOFLFEYSA-N 400.256 3.853 50 1 HHGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\CBr)[nH]c3c2)cc1 586974240 TXBOSIKEPDRGFA-IHWYPQMZSA-N 422.304 3.780 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)O)co2)N1 587684566 LBKWUIJVSQGWKB-VPTHRUTESA-N 402.647 3.896 50 1 HHGF CSc1nc(N2CCOCC2)c2cnn(C[C@H](Cl)c3ccc(F)cc3)c2n1 40404010 ISVTYRFHGWFKQR-HNNXBMFYSA-N 407.902 3.504 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](Br)CC(=O)O)O2 587411144 BCAUSXDHXMEJQL-SUMWQHHRSA-N 410.289 3.738 50 1 HHGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CN(C)C(=O)CCl)c(C)c1 587902149 LYOLOIOFQPXXCA-UHFFFAOYSA-N 419.308 3.693 50 1 HHGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(O)cc3O)sc2c1 299832368 VFUAHCKAZFXCTF-SRZZPIQSSA-N 413.503 3.705 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@H]2Br 587682719 NDSOVEDGQANNEI-UQHVFFSPSA-N 405.105 3.834 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C(=O)CBr)ccc1O 963636440 QVEUZYZMBWOGRR-PRWKNARSSA-N 420.303 3.611 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3ccccc3F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43888233 QXFMEDUIUHSSRP-ASFJBJAASA-N 408.466 3.665 50 1 HHGF CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21 136770511 CLHOQFOFZHJBHD-DOQHSWBTSA-N 424.965 3.677 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587411975 GNUPREPCOKEGHQ-JXFKEZNVSA-N 402.288 3.799 50 1 HHGF Cc1[nH]nc2c1[C@H](c1ccc([C@H]3NCCc4c3[nH]c3ccccc43)cc1)C(C#N)=C(N)O2 1772620197 HIYOWPYKCWCHQD-FGZHOGPDSA-N 422.492 3.653 50 1 HHGF O=C(N/N=C\c1c(F)cccc1F)c1ccccc1NS(=O)(=O)c1cccs1 33413797 BLJNLGSSRKDWST-NHDPSOOVSA-N 421.450 3.591 50 1 HHGF COc1ccc2[nH]c(/C(C)=N/NC(=O)c3cc(Br)ccc3O)cc2c1 95564339 GASJACRDACVLPI-UFFVCSGVSA-N 402.248 3.799 50 1 HHGF Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C2\C(=O)Nc3ccc(C)cc32)cc1 299860670 JOGCGCNPOJFGEM-UHFFFAOYSA-N 412.449 3.642 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](Br)C2=O)N1 587677531 AWRVUUBZFDJQMS-OWCSCZDJSA-N 405.105 3.834 50 1 HHGF CN(C)/C=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325529 YOBISABUMFOVAY-GZWWTPOLSA-N 400.837 3.837 50 1 HHGF COc1ccc2c(c1OC)[C@](CBr)(c1ccncc1F)N(C)[C@H](C)C2 962631070 QGRVAQAOBMSFCM-BLVKFPJESA-N 409.299 3.753 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587415330 RENBLIMUEUQYSQ-YWZLYKJASA-N 419.271 3.750 50 1 HHGF C[Si](C)(C)C#C[C@@]1(CBr)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962775199 ZKNHAFKSOWMMFO-HOCLYGCPSA-N 418.329 3.803 50 1 HHGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 253674129 FRBMHRPOABKXCU-CZGNIMDHSA-N 422.930 3.891 50 1 HHGF COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2CCCl)cc(OC)c1OC 29346401 SADAMEVAUKSOOC-MRXNPFEDSA-N 407.894 3.504 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(OCc3ccccc3F)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308390 FXUFJKSZEPEJQZ-CMWFBBTJSA-N 405.466 3.951 50 1 HHGF O=C(CNc1cccc(Br)c1)N/N=C/c1c(Cl)cncc1Cl 201287586 JLEFHRJSBSLKFK-DENHBWNVSA-N 402.079 3.713 50 1 HHGF NC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324872 ANQVUBVSIPSNBQ-WIYYLYMNSA-N 415.804 3.716 50 1 HHGF Br/C(I)=C\C(Br)Br 86000736 VRGQVTFBMFQTIH-HNQUOIGGSA-N 404.665 3.774 50 1 HHGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc(O)c(C(N)=O)c1 963221299 ABUONSVJOBOWPV-LHSJRXKWSA-N 417.347 3.786 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)CBr)c1)O2 587376368 XDFPSQASXZHRGG-IBGZPJMESA-N 403.276 3.791 50 1 HHGF Cc1ccc(/C=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1 12733227 SFMGCASPQWRGSS-MTJSOVHGSA-N 417.874 3.806 50 1 HHGF COc1ccc(/C=N/NC(=O)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 1857591247 IURYNOMASDNYPR-SSDVNMTOSA-N 405.435 3.689 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587684927 MZALPAPZZJTGRJ-VXJOIVPMSA-N 402.651 3.841 50 1 HHGF COc1ccc2ccc(=O)oc2c1C(/C=C/c1ccc(SC)cc1)=N/NC(N)=O 299858279 DNUILNPWIVRQAW-BRSVDGHBSA-N 409.467 3.609 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCN4C(C)=O)([C@@H](C)Cl)[C@@H](C2)C3=O 587418231 SVPWMNFQVFFQFY-VIQGIDMASA-N 411.885 3.874 50 1 HHGF COc1cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC 40576828 YDAAUOAOSTUISG-OQLLNIDSSA-N 413.426 3.528 50 1 HHGF CC(C)CN(NC(=O)c1cc2ccccc2o1)c1nc(C#N)ncc1Br 58575060 PFEOCXNHPKOIIN-UHFFFAOYSA-N 414.263 3.664 50 1 HHGF COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC 238765783 DGNJLNNHIGBXSV-RVZKHINXSA-N 400.427 3.834 50 1 HHGF CC1(C)CC(=O)[C@H](Cl)[C@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962659140 FQTIOHLNPDOTJL-HSQYWUDLSA-N 400.906 3.525 50 1 HHGF Cc1[nH]nc2c1[C@@H](c1ccc([C@H]3NCCc4c3[nH]c3ccccc43)cc1)C(C#N)=C(N)O2 1772620196 HIYOWPYKCWCHQD-FCHUYYIVSA-N 422.492 3.653 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 587844473 AQVVMRWEJMRXAG-ZKANADHPSA-N 417.731 3.765 50 1 HHGF Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)nc2c1 103282561 JFZNXIRRAMUDMA-LSDHHAIUSA-N 422.341 3.919 50 1 HHGF O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C1\CCCc2cnccc21 1772588847 NZRBHDHCONKCTH-SLEBQGDGSA-N 400.482 3.929 50 1 HHGF C=C1C[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@@](C)(O)CC[C@@H]12 2356450143 JPCOLXANIJAXTB-OHWVAARXSA-N 401.385 3.795 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccncn2)N1 587671725 AKGKIVKCTHMMBR-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF CC(C)C[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009332 VMDNIZYAKNYHLC-INIZCTEOSA-N 421.673 3.717 50 1 HHGF COC(=O)CCCCCCC(=O)N/N=C/c1c(Cl)cc(OC)c(OC)c1Cl 95809077 PRDNYPLSUXWYDR-SRZZPIQSSA-N 419.305 3.974 50 1 HHGF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)NN)cc2[nH]1 587034528 OKFAPZBWUUZYQO-HNNXBMFYSA-N 407.499 3.652 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 587845535 NDZABORAMMJQJD-XTZNXHDOSA-N 423.307 3.991 50 1 HHGF COc1cc2c(cc1OC)[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962616787 AKZOZPIKWPRIAI-HKZYLEAXSA-N 412.958 3.928 50 1 HHGF COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] 587372417 IRDHUTDUYCMOJR-GOSISDBHSA-N 421.247 3.750 50 1 HHGF COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586137 MGMYNCVXSYXOEY-SFHVURJKSA-N 400.276 3.742 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587413273 GKGNQSSTVILRCU-KSSFIOAISA-N 404.216 3.641 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587686152 SRIRQAGLNDTDKV-VXJOIVPMSA-N 402.651 3.841 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587415221 QORIHRQLHLOECE-LIRRHRJNSA-N 418.243 3.950 50 1 HHGF N#C/C=C/c1cc(Cl)cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c1 222275052 QQWLDKMLZHRQRI-ONEGZZNKSA-N 409.829 3.598 50 1 HHGF in-vitro CCCCN(CCCC)c1ccc(-c2nn(C(=O)NN)c(=O)c3ccccc23)c(O)c1 587660007 AUYCPOONXXDYKU-UHFFFAOYSA-N 423.517 3.607 50 1 HHGF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@H]1CC[C@@](C)(O)[C@H](Cl)[C@H]21 1857556946 XVDZSHAEMLKCIW-DBFNBLSLSA-N 419.905 3.545 50 1 HHGF C[C@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1 5615839 KSMXVBWVKOAUPU-SZCGYIDKSA-N 412.493 3.941 50 1 HHGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCC2)cc1 147600821 URGZRZXYQJFPEJ-JLZUIIAYSA-N 414.914 3.889 50 1 HHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(F)cnc(Cl)c2[nH]1 587009536 KGDJZTITRGYZRU-ZDUSSCGKSA-N 406.248 3.871 50 1 HHGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1F 1772604277 OYXGNNWVFPQTMB-LJQANCHMSA-N 413.412 3.731 50 1 HHGF O=CC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@@H]4C=CCCCCN4[C@H]21)C3 2356575648 VGYIUIBYSYNRNZ-IYMLOVEFSA-N 410.602 3.868 50 1 HHGF CCN(CC)c1ccc2c([C@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@H]4C)cc(=O)oc2c1 95560262 QJLRINQORPQZLU-KGLIPLIRSA-N 419.481 3.700 50 1 HHGF N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 623241 RFUXDWIKFWWDGX-QHCPKHFHSA-N 416.868 3.751 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccncn2)N1 587671724 AKGKIVKCTHMMBR-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 139543242 ZYZHUTWVVKBICK-ZVADSZFPSA-N 410.507 3.889 50 1 HHGF Cc1nc(-c2cccc(Cl)c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653912895 QBXVDANXEKTWRA-QQTULTPQSA-N 404.857 3.821 50 1 HHGF Oc1ccc2c(c1)[C@@](CI)(c1c[nH]c3ccccc13)NCC2 963350201 ABYPUUSLSYUFSB-SFHVURJKSA-N 404.251 3.698 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1CCOC1 587537789 KFJLUTMYGCZBLJ-GFJSAUFNSA-N 405.244 3.524 50 1 HHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2c[nH]c3ccncc23)N1 962971769 SWIHYGDLHBDQHY-RDTXWAMCSA-N 412.223 3.576 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCCNC(C)=O)cc1)[C@@H](C2)C3=O 587417708 OVMPJWQWYYBFMP-CVDCTZTESA-N 413.901 3.646 50 1 HHGF O=CC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]21)C3 2356575649 VGYIUIBYSYNRNZ-OAQXCZEZSA-N 410.602 3.868 50 1 HHGF CC(=O)OCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O 195515091 LSWSNIUFJLRSBD-JOCHJYFZSA-N 414.618 3.656 50 1 HHGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587644505 YCCGOFVJJWTOBR-UHFFFAOYSA-N 400.188 3.772 50 1 HHGF Cc1nc2ccc(C(=O)N3CCN(C(=O)C(Cl)Cl)CC3)cc2n1C1CCCC1 203474966 PAZUXBQSNHPYLM-UHFFFAOYSA-N 423.344 3.548 50 3 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 199800149 ISKWRTCZWOXOOF-JLYPXUJISA-N 414.498 3.567 50 1 HHGF endogenous,in-man O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCOCC1 587539663 XFGATXDNVYDOCB-YLJYHZDGSA-N 419.271 3.914 50 1 HHGF O=C(CCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541463 BRVFRMQAPOROIV-NFBKMPQASA-N 423.852 3.604 50 1 HHGF Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653912776 BPONJPPROZMSAS-QQTULTPQSA-N 404.857 3.821 50 1 HHGF O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 27413177 SNHMLWVAAQADCQ-UHFFFAOYSA-N 403.287 3.712 50 1 HHGF CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 45336265 ACAMZSYTMVQLCS-IDDYBALXSA-N 401.894 3.643 50 1 HHGF CCOC(=O)Cn1cccc1[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103192687 WGYGNZKFMYFOMV-HERKVZFTSA-N 419.518 3.974 50 1 HHGF COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586970417 AHZNOMHVFMDHMH-SNVBAGLBSA-N 415.231 3.717 50 1 HHGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587643640 HVMSRTYAXHDHFK-UHFFFAOYSA-N 400.188 3.772 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587413411 OPJQCZICLPPFOZ-JXFKEZNVSA-N 416.271 3.691 50 1 HHGF COc1ccc(O)c(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1 653754301 FFCXDROCDHBCEC-AFUMVMLFSA-N 414.417 3.938 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3C[C@H](C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 2356634800 MMEHDJNMDYANLN-UOGRNEETSA-N 400.471 3.528 50 1 HHGF COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2CCCl)cc(OC)c1OC 29346397 SADAMEVAUKSOOC-INIZCTEOSA-N 407.894 3.504 50 1 HHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@]13OO2 43328028 PAJGUOZUMGHCQI-VDWMVFLBSA-N 420.458 3.548 50 1 HHGF O=C(Cl)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)s1 587277030 ZSNMFKLXFMDOEO-UHFFFAOYSA-N 400.637 3.754 50 1 HHGF COc1cc2c3c(c1)OC([C@H](C)Br)([C@H](C)Br)[C@@H](C2)C3=O 587414018 KARAFMKCQWKEQU-LAEOZQHASA-N 404.098 3.748 50 1 HHGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2cccc(-c3cccc(F)c3)c21)c1ccc(O)cc1 72180263 ZOENTONWXGTUIW-CYBMUJFWSA-N 403.413 3.774 50 1 HHGF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587086888 IEIWGPBAIPIIDU-CYBMUJFWSA-N 406.321 3.778 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 85635071 GYCBSZGIYPNYAB-UHNNFPDLSA-N 414.498 3.918 50 1 HHGF in-man Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689342 RURSMQDSUBZGHH-QPFGOUBPSA-N 415.690 3.605 50 1 HHGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(F)c1 587145096 UWDGHLHIWLABLP-UHFFFAOYSA-N 404.401 3.646 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CBr)(C(C)(C)C)CC2=O 587456086 KKOICOWIKJJSKW-IBGZPJMESA-N 412.324 3.606 50 1 HHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534464 CCFVHIBTKFWEKX-NRFANRHFSA-N 418.946 3.936 50 1 HHGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@@]2([C@H]2C(=O)Nc3ccccc32)NC1=O 1857644076 GDLCAEYLXPCKEP-AUSIDOKSSA-N 414.852 3.649 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1ccc2c(c1)OCO2 963269614 LCMGVZVOSDWZBN-SFHVURJKSA-N 410.695 3.862 50 1 HHGF O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1cccc([N+](=O)[O-])c1 254129624 WEPUVLVDJKDIHZ-UHFFFAOYSA-N 409.273 3.643 50 3 HHGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F 103201032 YYVCUPLDEXYTFB-XERWBJCMSA-N 416.411 3.951 50 1 HHGF COC(=O)c1coc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587685436 QQZIFPUYQCJZFP-HUTHGQBESA-N 416.674 3.984 50 1 HHGF Cc1ccc(O)c(/C=N/NC(=O)c2cc(Br)ccc2Br)c1 1857612898 CPGAURLJWNKRAP-QGMBQPNBSA-N 412.081 3.990 50 1 HHGF COc1ccc2ccc(=O)oc2c1/C=C(/C=O)c1c(OC)ccc2ccc(=O)oc12 13404372 SXMLKPWAEMEUQE-PTNGSMBKSA-N 404.374 3.656 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)s1 43123292 YKNQFLHELMKANK-ROUUACIJSA-N 409.902 3.940 50 1 HHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccccc4O)c[nH]c3c12 103168264 MUJBRDZVVJKZPP-PGGKNCGUSA-N 406.829 3.508 50 1 HHGF CC(C)c1nn(C)c2c1[C@](CBr)(c1c(F)cc(F)cc1F)NCC2 962916350 JSHSVDFTUXQOFZ-KRWDZBQOSA-N 402.258 3.745 50 1 HHGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)o1 95808907 ROKLDFXPSDCWOE-UDWIEESQSA-N 422.279 3.787 50 1 HHGF O=C(CCl)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1 1772630965 VPWMTTOBCUDJQB-UHFFFAOYSA-N 418.884 3.729 50 1 HHGF O=C1N(Cc2ccccc2)C2=C[C@H](Cl)C=C2S(=O)(=O)N1Cc1ccccc1 103274835 SHYSIXGITXURKI-KRWDZBQOSA-N 400.887 3.843 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@](CBr)(c3c(F)cccc3F)c3cccc1c32 963026030 NDGTZVQLYVUGDY-WYRIXSBYSA-N 407.258 3.657 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 2356461862 WOXXSXDXNWLLQQ-NEQSYWPNSA-N 414.498 3.567 50 1 HHGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586970414 AHZNOMHVFMDHMH-JTQLQIEISA-N 415.231 3.717 50 1 HHGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1c(F)cc(F)cc1F)NCC2 962916358 JSHSVDFTUXQOFZ-QGZVFWFLSA-N 402.258 3.745 50 1 HHGF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)[C@H]21 2356870838 XVDZSHAEMLKCIW-UQJUHCJGSA-N 419.905 3.545 50 1 HHGF O=C(O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587546250 VFWPCHGBVPITHC-OXJNMPFZSA-N 400.770 3.779 50 1 HHGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C 254086154 FYPAIPDWDINBOL-UHFFFAOYSA-N 404.239 3.940 50 1 HHGF Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1 1857553395 SROIZFKKLBENCC-QGMBQPNBSA-N 412.081 3.990 50 1 HHGF COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)NN(C)C)n(C)c3)cc2)c1 653882390 SMFGOLCYOWWOMB-CMDGGOBGSA-N 418.497 3.663 50 1 HHGF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@H](Cl)[C@@H]21 2356870839 XVDZSHAEMLKCIW-YKEWJHLTSA-N 419.905 3.545 50 1 HHGF CN1CCc2cnn(C)c2[C@]1(c1cc(F)ccc1F)[C@H](Br)CCCl 963956128 VAOJCDJAYQQDOU-WBVHZDCISA-N 418.713 3.822 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccnc1Cl 95809033 QXUFFCLRODLACS-OEAKJJBVSA-N 402.882 3.870 50 1 HHGF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)NN)cc2[nH]1 587034530 OKFAPZBWUUZYQO-OAHLLOKOSA-N 407.499 3.652 50 1 HHGF Cc1ccc(CNN2C(=O)[C@H](C)[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@]43[C@H]2O5)cc1 169308384 DFYLIVLJOHFLMB-FPHFNTDWSA-N 400.519 3.694 50 1 HHGF C[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21 1772628684 NVKCDWORQBDENI-XBJPQDNYSA-N 404.422 3.741 50 1 HHGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1ccc(C)cc1)=CCC[C@@]1(C)O[C@@H]21 1911578999 DRCZVSOYNQERJP-UCKBDZMLSA-N 409.486 3.858 50 1 HHGF CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccccc3OCC)[C@H]2C1 169687737 VNAOVKNKEHNSPQ-AZUAARDMSA-N 417.469 3.534 50 1 HHGF Cc1ccnc2c1CCN[C@]21C(C=O)=COc2c(Br)cc(Cl)cc21 963071359 QYWHMLKDZUOSIP-SFHVURJKSA-N 405.679 3.670 50 1 HHGF C=C1C[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@](C)(O)CC[C@@H]12 2356450144 JPCOLXANIJAXTB-SSKHUGDLSA-N 401.385 3.795 50 1 HHGF NC(=O)c1cc(C(=O)CBr)cc(C(=O)Nc2ccc3ccccc3c2)c1 29055588 GSBHZHPDCGNTLE-UHFFFAOYSA-N 411.255 3.769 50 1 HHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587009456 GLHVMQOOEWKWLJ-KRWDZBQOSA-N 414.824 3.520 50 1 HHGF O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)CCl)c1cccc(F)c1 198959661 HHYJEFITGKRTJS-HXUWFJFHSA-N 403.885 3.983 50 1 HHGF CO[C@@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 15115471 GYCBSZGIYPNYAB-NQCGFHHJSA-N 414.498 3.918 50 1 HHGF endogenous,in-man Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(N)=O 587497902 LKBWQFPMCRLUFN-QFIPXVFZSA-N 400.906 3.569 50 1 HHGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2ccc(F)c(F)c2)N1 962978548 RQIMLUVJSOKULM-GUYCJALGSA-N 408.178 3.978 50 1 HHGF O=C1/C(=C/c2ccc(O)cc2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc(O)cc1 1911571551 UOSPQXLDHCTRFD-KAVGSWPWSA-N 418.276 3.780 50 1 HHGF CC[C@@H]1[C@H]2C[C@H](Br)[C@@]3(O2)O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2[C@@H]13 2356793388 KLIMLEBJXLDCGW-JUQFFVHCSA-N 406.114 3.511 50 1 HHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534476 CCFVHIBTKFWEKX-OAQYLSRUSA-N 418.946 3.936 50 1 HHGF O=C1c2ccc(O)cc2O[C@](/C=C\N2CCOCC2)(CCl)[C@H]1c1ccc(F)cc1 587330045 ZZBQJNCGOXERJE-RHRUTXSOSA-N 417.864 3.714 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415989 ZRFUUTHOVVKLQW-YYFZDKIDSA-N 417.255 3.576 50 1 HHGF COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCCCl)c1 1857769197 VPTXIOHVPUCPQL-IBGZPJMESA-N 418.877 3.785 50 1 HHGF COc1ccc2c(c1)cc(/C(C)=N/NC(=O)c1cc(Br)ccc1O)n2C 95558604 CAASQYNYHBPDKC-SRZZPIQSSA-N 416.275 3.809 50 1 HHGF Cc1c(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1662656 KOJQRLDHZSNCTP-AEFFLSMTSA-N 402.281 3.833 50 1 HHGF N#C[C@@H](C(=O)/C(=N\NC(N)=O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5722425 OUYYAJBHQYUTQD-YDPIHMLGSA-N 414.252 3.501 50 1 HHGF C[C@]1(CI)CO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43101033 CHDXYDXFQUPQHT-OBCVZTRHSA-N 400.256 3.853 50 1 HHGF C[C@]1(CI)CO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 253632632 CHDXYDXFQUPQHT-JVNPIMRCSA-N 400.256 3.853 50 1 HHGF Cc1cc2c(cc1F)[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)NCC2 962299373 NIOZZTYFBRJJRJ-RNODOKPDSA-N 422.294 3.770 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(O)c1 6069951 ISKWRTCZWOXOOF-GNMVUSIZSA-N 414.498 3.567 50 1 HHGF COC(=O)c1coc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587685439 QQZIFPUYQCJZFP-VVVCHXIZSA-N 416.674 3.984 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 587734312 QHJFONCSBWOZMQ-APBUJDDRSA-N 406.226 3.980 50 1 HHGF CC(C)CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@H](c3nccs3)N2C1=O 2356805816 ZXZYMZDXGVCRAD-IGQOVBAYSA-N 418.390 3.872 50 1 HHGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CO)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43393460 DLZMRMBSLOXVDK-QSWULXDASA-N 404.503 3.904 50 1 HHGF CC[C@H]1[C@H]2[C@@H]3O[C@@H](C=C=CBr)C[C@H]3O[C@@]23O[C@@H]1C[C@@H]3Br 2356793390 KLIMLEBJXLDCGW-VNRITUJASA-N 406.114 3.511 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587685442 QQZIFPUYQCJZFP-XLFHBGCDSA-N 416.674 3.984 50 1 HHGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587837659 JSFYTJCONZFWQX-BIBXISHDSA-N 418.262 3.850 50 1 HHGF COC(=O)CC[C@]1(CBr)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695847 FZJMPFLYYOEXGG-ACJLOTCBSA-N 416.356 3.733 50 1 HHGF COC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587414868 XYTOESOHXFRATR-FOIQADDNSA-N 417.255 3.520 50 1 HHGF CC1=NN(C(=O)CCl)[C@@H](c2cc(Br)cc(Br)c2O)C1 653730319 UTRYZXBOQMHHOC-SNVBAGLBSA-N 410.493 3.805 50 1 HHGF CCOC(=O)[C@@]1(CCBr)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587414540 WFLNUJBMAPWISH-UAOJZALGSA-N 423.303 3.700 50 1 HHGF C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129867 MRDRNJIZDLUVQC-RXMQYKEDSA-N 404.755 3.501 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 587846703 QTODCJQILBXJPN-MLCYQJTMSA-N 423.307 3.991 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(O)c1 90516585 ISKWRTCZWOXOOF-ZBUVOLNMSA-N 414.498 3.567 50 1 HHGF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](Br)C2=O)N1 587677530 AWRVUUBZFDJQMS-FFTROKDMSA-N 405.105 3.834 50 1 HHGF O=c1cc(CCl)oc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1O 103213515 STIQLQKGQPHNPR-UHFFFAOYSA-N 403.693 3.713 50 1 HHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCl)c2c1 587618335 OYIGXGWFPBSAIE-UHFFFAOYSA-N 409.851 3.933 50 1 HHGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3C[C@H](O)C(=CC=O)C(=O)O[C@@]3(C)[C@@H](O)C[C@H]21 2356484380 RPIROHTYJARXSQ-KORAKKSESA-N 418.574 3.808 50 1 HHGF C[C@@H](C(=O)NNC(=O)NOCc1ccccc1)c1cccc(Cc2ccccc2)c1 84604334 OJRNLUNBBJSZMR-GOSISDBHSA-N 403.482 3.843 50 1 HHGF C[C@@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@H]1Br 71317030 YAPATQLJHKARLV-CVYQJGLWSA-N 414.875 3.703 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)[C@H](C)Cl)(c1ccccc1)CC2=O 587459280 NQKNBOSRWQTUQJ-RCDICMHDSA-N 401.890 3.949 50 1 HHGF O=C(O)Cc1ccc(CC[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 26734007 HFPJUWRQPGXQQX-WBKXNKNWSA-N 421.497 3.847 50 1 HHGF CCOc1cc(C(=O)NCCSSCCN(C)C)cc(OCC)c1OCC 618008869 MTOFEBFAMMHMSB-UHFFFAOYSA-N 416.609 3.556 50 1 HHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)cc(CBr)c2)N1 963231587 NIIAXTQKSKYYGG-OALUTQOASA-N 415.262 3.957 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CO)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 137143978 DLZMRMBSLOXVDK-PZQVVVGWSA-N 404.503 3.904 50 1 HHGF O=C1C[C@](CBr)(C(=O)CBr)Oc2c1ccc1c2CCCC1 587497449 CINOWHQSLSPPML-INIZCTEOSA-N 416.109 3.628 50 1 HHGF O=CC1=C[C@@]23CCC=CCCCCN4CC[C@@H]1[C@@]1(C4)C[C@@]4(CCC(=O)CCCN4[C@H]21)O3 2356799559 UOMOEHQIILHUAK-WBAQKLHDSA-N 424.585 3.637 50 1 HHGF C=C([C@@H]1CC[C@](C)(O)[C@H](Br)C1)[C@@H]1[C@H](O)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C 2356797635 OERZXAKPKLPTJX-JFZLDDEVSA-N 401.385 3.651 50 1 HHGF CCOC(=O)C[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CC(=O)OCC)OO2 43706442 DGIIIVLAQBHSKW-BANKROOTSA-N 400.468 3.576 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnccn2)N1 587673562 OHIBRCPYWVNECR-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF CC1(C)CC(=O)[C@H](Cl)[C@@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962659143 FQTIOHLNPDOTJL-MTNREXPMSA-N 400.906 3.525 50 1 HHGF C=C(C)[C@]1(OO)C[C@@H]2[C@](C)(CC[C@H](OC(=O)C(C)=CC)[C@]2(C)OC(C)=O)CC1=O 2356727500 IFEBICCBZIPPDX-IXXBJLTKSA-N 408.491 3.770 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@@H](C)Br)[C@@H](C2)C3=O 587414569 NBUZWCZMCNZLLJ-UHMLPPNMSA-N 417.255 3.850 50 1 HHGF COc1cc(C)ccc1[C@@]1(CBr)NC[C@H]2CC(=O)N(C)c3cccc1c32 963035681 SPRDTLZDRMPIFM-SPLOXXLWSA-N 415.331 3.695 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cc(O)cc(O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49757459 VLBJOFJLSQHPHC-DMSHPXTKSA-N 406.475 3.822 50 1 HHGF CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587418554 UASFBGNVIVNTHD-UZUQRXQVSA-N 411.885 3.876 50 1 HHGF COc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c(O)c1 653751738 STTPRWOAXTXQQN-AFUMVMLFSA-N 414.417 3.938 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(N)cc2)s1 42967221 UUEPHUWNJKWDEJ-MSOLQXFVSA-N 424.917 3.522 50 1 HHGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@@H]1C#N 169694596 FZVDYIZFWTVBIT-KNQAVFIVSA-N 402.502 3.923 50 1 HHGF Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)nc12 103280689 HDDLHLNMGKUISO-LSDHHAIUSA-N 422.341 3.919 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnccn2)N1 587672826 IJDPPEPZGMVEAK-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF Cc1c(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1662659 KOJQRLDHZSNCTP-FUHWJXTLSA-N 402.281 3.833 50 1 HHGF C=CC(C)=CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C=O)C(C=O)=C[C@H](OC(=O)CCC)C[C@@H]21 2356337974 JNCWBVCCDFJVEI-RWMKDCLRSA-N 402.531 3.958 50 1 HHGF CC1=C[C@@]2(O)[C@@H]([C@@]3(C)CC[C@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC=O)[C@H]2CC1 2356667109 IDWJAJISNRTBQV-ZRJJWSOFSA-N 406.592 3.808 50 1 HHGF CCn1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)Cl 587879672 ZAAPPMQZIRBCOX-UHFFFAOYSA-N 412.704 3.608 50 1 HHGF O=C(CBr)NCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586971672 WEPPOSOGUFHBQK-UHFFFAOYSA-N 415.316 3.893 50 1 HHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CNC(=O)CBr)(C(C)(C)C)N1 962944242 HKSWVGWAJHOCES-ZUOKHONESA-N 406.368 3.845 50 1 HHGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1Cc1ccccc1 1772602451 GFNWGBYBUTUKRT-RELWKKBWSA-N 424.309 3.535 50 1 HHGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)CBr)c1)[C@@H](C2)C3=O 587414528 WDAFPQQAZBOMKH-YWZLYKJASA-N 416.271 3.691 50 1 HHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C)c2c1 587617239 CEZJRFYMFHPPMJ-UHFFFAOYSA-N 409.851 3.933 50 1 HHGF O=C=NCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894589 QBHZOHVNWUHOMA-UHFFFAOYSA-N 405.256 3.721 50 1 HHGF O=CC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 299809768 VGYIUIBYSYNRNZ-BONDPLATSA-N 410.602 3.868 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)[C@@H](C2)C3=O 587453242 QOLLSDAONZTIFN-YERPZDBWSA-N 405.903 3.663 50 1 HHGF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2C)c(OC)c1 587930650 UCRGNCRSYXYVQB-UHFFFAOYSA-N 402.454 3.826 50 1 HHGF C=C1CC[C@H](Cl)[C@](O)(COC(C)=O)C[C@@H]2O[C@]23[C@@H](C(C)(C)O)CC[C@@]3(C)CC1 2356795628 MHVLIPPDAODSCC-IQHZCEOMSA-N 414.970 3.733 50 1 HHGF N#C[C@@H](C(=O)/C(=N\NC(N)=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5722426 OUYYAJBHQYUTQD-QCIGLWFQSA-N 414.252 3.501 50 1 HHGF CC(C)CN(NC(=O)c1csc(-c2ccccc2)n1)c1nc(C#N)ncc1Cl 58581382 PYBKQFNDJXSACO-UHFFFAOYSA-N 412.906 3.933 50 1 HHGF O=CC1=C[C@]23CCC=CCCCCN4CC[C@@H]1[C@]1(C[C@@H]5CCC(=O)CC[C@@H](O2)N5[C@@H]31)C4 299812814 WUKOCMHQGBCSFZ-CWLUOYBQSA-N 424.585 3.635 50 1 HHGF Cc1ccc([C@@]2([C@@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375474 SUKRWVUNYHKNOY-FXAWDEMLSA-N 418.287 3.985 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@H](C)N4C(C)=O)[C@@H](C2)C3=O 587417494 NBMOFEWNEZYOII-SWYQQZATSA-N 411.885 3.874 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587426455 NZILUHBWMHQPBT-DJJJIMSYSA-N 407.235 3.881 50 1 HHGF C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)OC)[C@H]1[C@@]2(C)CC[C@@H](O[Si](C)(C)C)[C@@]14OC2=O 2356578686 AZSIYLVDBHSVHD-UKGPLSBKSA-N 416.590 3.694 50 1 HHGF Cc1nc(-c2ccccc2Cl)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653888078 VQQRNRNIAHRVRP-QQTULTPQSA-N 404.857 3.821 50 1 HHGF Cc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1 15985736 AEPLBJNNHCKHCC-UHFFFAOYSA-N 414.509 3.858 50 1 HHGF aggregator O=C(O)Cc1cccc(CC[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 26731266 LULNMGLDEMLBSW-ALIBIFOGSA-N 421.497 3.847 50 1 HHGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(F)c(F)c(F)c2)ccc1C(=O)O 219895274 NOTQZPNABNXEMJ-KIBLKLHPSA-N 415.371 3.974 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587681708 ABUHNBRBRHKBLS-MGNBDDOMSA-N 424.701 3.536 50 1 HHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(=O)CBr)(C(C)(C)C)N1 962944241 HKSWVGWAJHOCES-XCLFUZPHSA-N 406.368 3.845 50 1 HHGF O=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 73280224 UVBZUWWUEOFPKM-UHFFFAOYSA-N 413.521 3.691 50 1 HHGF O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473165234 AMJJQPUGCNBPGG-YDZHTSKRSA-N 400.394 3.579 50 1 HHGF O=C(O)[C@@H](CC[S@](=O)c1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 31291729 AMJPXGQNYYTBKB-URAOTHONSA-N 422.506 3.945 50 1 HHGF in-man C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586973191 GORRYAFCWIQRRK-LBPRGKRZSA-N 422.348 3.860 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416851 FQCVYUGBLSVYRB-CUKRAGERSA-N 413.901 3.644 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](Br)C2=O)N1 587677526 AWRVUUBZFDJQMS-FFIJEWMLSA-N 405.105 3.834 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 587734361 QXNUWNBACCIFJG-GIGQVBGESA-N 406.226 3.980 50 1 HHGF Cc1ccccc1Nc1cc(CN(CCCl)CCCl)nc2c(C#N)cnn12 1772596035 BAHXDODROVTBPI-UHFFFAOYSA-N 403.317 3.933 50 1 HHGF CC[C@H]1[C@@]2(C)C[C@@H](OC(=O)c3c(C)cc(OC)cc3O)[C@H]2C(C=O)=C[C@@]1(O)CC 2356768763 VJYUBMLOVYCXRP-FWRLEMQZSA-N 402.487 3.567 50 1 HHGF O=C(Cc1ccccn1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 13833449 PPUUTVXUJGNWJJ-UHFFFAOYSA-N 408.845 3.831 50 1 HHGF COc1ccc([C@@H]2O[C@]34C[C@@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934059 MVHDSMPUVNIQOV-RLBLXZPPSA-N 410.422 3.807 50 1 HHGF O=C(O)Cc1ccc(CC[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 101267074 HFPJUWRQPGXQQX-WJMRMORBSA-N 421.497 3.847 50 1 HHGF COc1cc2c3c(c1)O[C@@]([C@H](C)Br)([C@@H](C)Br)[C@@H](C2)C3=O 587414004 KARAFMKCQWKEQU-HWNKLIFASA-N 404.098 3.748 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cncnc2)N1 587671692 ADCTULAYHYXSCG-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF COC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 586971857 ZHUQXZZHZJVRIH-LLVKDONJSA-N 420.101 3.973 50 1 HHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2N1 587498828 PDIKSGPSRTXXKV-GOTSBHOMSA-N 414.933 3.724 50 1 HHGF O=S(=O)(C[C@@]1(CBr)NCCc2cccc(Cl)c21)c1ccccc1 963390641 LZLFSVPZQSLJPS-QGZVFWFLSA-N 414.752 3.550 50 1 HHGF NC1(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCCCC1 49746901 GLODJSDEDPLCCZ-UHFFFAOYSA-N 418.578 3.782 50 1 HHGF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(/C#N)S(C)(=O)=O)cc3)nc12 205474024 ZDRQFLJNMJMKQN-DHDCSXOGSA-N 423.498 3.839 50 1 HHGF COC(=O)CC[C@@]1(CBr)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695848 FZJMPFLYYOEXGG-FZKQIMNGSA-N 416.356 3.733 50 1 HHGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1cccs1)C(=O)c1ccccc1C2=O 73197269 PQMLZOXKKAAAOK-UHFFFAOYSA-N 424.865 3.953 50 1 HHGF O=C1c2ccc(O)cc2O[C@](/C=C/N2CCOCC2)(CCl)[C@@H]1c1ccc(F)cc1 587330043 ZZBQJNCGOXERJE-PIZCUUEDSA-N 417.864 3.714 50 1 HHGF CC(C)[C@@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587683143 FSKJRWDXLUKIBP-LWNYNHHKSA-N 405.739 3.717 50 1 HHGF COc1ccc2c(c1)C[C@@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418589 UGVXIWCDDSQPIZ-MDYRTPRTSA-N 401.256 3.666 50 1 HHGF N#Cc1cnn2c(Nc3cccc(F)c3)cc(CN(CCCl)CCCl)nc12 1772636092 NKJHPPVSSINBDS-UHFFFAOYSA-N 407.280 3.763 50 1 HHGF Cc1cccc(C[n+]2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1 96284141 LYKFPRSXYAUKRQ-JOCHJYFZSA-N 422.464 3.655 50 1 HHGF Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc2c1 103282568 JFZNXIRRAMUDMA-CABCVRRESA-N 422.341 3.919 50 1 HHGF CC(C)COc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br 587009284 ZIUHTWMTFGAAHU-UHFFFAOYSA-N 402.720 3.950 50 1 HHGF COc1cccc2c1C(=O)c1c(OC)cc(CN(CCCl)CCCl)cc1C2=O 29342408 IKOXUQUESSCDDD-UHFFFAOYSA-N 422.308 3.759 50 1 HHGF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(O)[C@@H](Cl)[C@H]32)O1 2356810901 BCMWNJKZCOJCHP-JCNVZSPUSA-N 401.035 3.695 50 1 HHGF O=C(N/N=C/c1cc(O)ccc1O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653748799 HXBWQSGCRPZDED-ZMOGYAJESA-N 400.390 3.635 50 1 HHGF CC(C)(NC(=O)CCl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587009464 GVNHHWMOJNWUID-UHFFFAOYSA-N 414.609 3.814 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@@]31[C@H](Br)CCC(=O)C1(C)C 963059464 RFTITRGCVVOZNP-QRWLVFNGSA-N 403.320 3.737 50 1 HHGF CC(=O)N1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccccc2Cl)C1 13442662 FJHOCGAQFVMHHD-UHFFFAOYSA-N 411.310 3.714 50 1 HHGF O=CC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 169371954 VGYIUIBYSYNRNZ-SMXZIEDESA-N 410.602 3.868 50 1 HHGF COc1ccccc1/C=N/NC(=O)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473171647 UHOYHMPKDXHURV-ZVHZXABRSA-N 414.421 3.882 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](Br)C2=O 587544295 NOSXMPUXIVIBRI-YFROIQMUSA-N 403.228 3.609 50 1 HHGF CCOC(=O)c1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 587621528 WXNZHKYFFDWIMJ-UHFFFAOYSA-N 401.058 3.878 50 1 HHGF COc1cc([C@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC 2356590091 DGNJLNNHIGBXSV-RBZFPXEDSA-N 400.427 3.834 50 1 HHGF C=C(C)[C@]1(OO)C[C@H]2[C@](C)(OC(C)=O)[C@@H](OC(=O)C(C)=CC)CC[C@]2(C)CC1=O 2356727502 IFEBICCBZIPPDX-RCUFNAHASA-N 408.491 3.770 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CC[C@@H]2OC(C)=O 2356512798 FAHUDUVWJUBJRS-RLZRBERESA-N 408.491 3.722 50 1 HHGF N#C/C(=C\c1cccc(-n2cc(-c3ccc(Cl)cc3)c3c(N)ncnc32)c1)C(N)=O 149560525 FNHJQTZZYISYDC-OVCLIPMQSA-N 414.856 3.715 50 1 HHGF COc1ccc(C(=NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 68582061 BXTNSKKBILAYGN-UHFFFAOYSA-N 405.410 3.794 50 1 HHGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCC(=O)N3)O2 587370414 BCUBZVAGDPTJJC-FQEVSTJZSA-N 415.287 3.718 50 1 HHGF O=CC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 169371953 VGYIUIBYSYNRNZ-VWGFZYPMSA-N 410.602 3.868 50 1 HHGF O=C(OCCN(CCCl)CCCl)C1=CN(c2ccc([N+](=O)[O-])cc2)C=CC1 96937788 DPEWQWCJHDMRNU-UHFFFAOYSA-N 414.289 3.525 50 1 HHGF COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587416504 AKXIOPGWUDCODR-VGSWGCGISA-N 417.889 3.558 50 1 HHGF CCN(CC)C(=S)S[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1C 5807558 NWUUTAVBTIUBPX-GTJPDFRWSA-N 422.384 3.912 50 1 HHGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411208 BWIYIIAOBLWVJG-KXBFYZLASA-N 408.907 3.632 50 1 HHGF CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(C)cc1 13119344 USULJNRSOLCWQA-GHRIWEEISA-N 418.526 3.743 50 3 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 100773380 BGKXQRPQNIXIMH-OJGFZSEBSA-N 414.498 3.567 50 1 HHGF endogenous,in-man Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc2c1 103282563 JFZNXIRRAMUDMA-HUUCEWRRSA-N 422.341 3.919 50 1 HHGF C[C@H](Br)[C@@]1(c2ccccc2F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033105 PLVKLPIVMHHILA-QAJFTPDKSA-N 403.295 3.906 50 1 HHGF CCOC(=O)c1ccccc1SSc1nc(-c2ccncc2)n(C(C)=O)n1 1857751596 YFCSPXNZFSTVJK-UHFFFAOYSA-N 400.485 3.976 50 1 HHGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411199 BWIYIIAOBLWVJG-BEFAXECRSA-N 408.907 3.632 50 1 HHGF O=C(Cc1cccs1)/C(=N/NC(=O)c1cccc(Br)c1)C(F)(F)F 58581073 LNYCBGIPFCQOMS-MOSHPQCFSA-N 419.222 3.971 50 1 HHGF CCOC(=O)[C@@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@@H]1c1cccs1 36023279 ZTARWFDZIIJOSM-HZPDHXFCSA-N 402.501 3.583 50 1 HHGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973185 GJVHDXLFPZSEKX-QPJJXVBHSA-N 422.304 3.780 50 1 HHGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587419336 CJYNYJHELJBFOL-IVZQSRNASA-N 411.841 3.845 50 1 HHGF Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@H](C(=O)O)Cc2cccc(F)c21 962905228 CZYYUJRAGLDNOD-JXFKEZNVSA-N 417.278 3.853 50 1 HHGF Cc1ccc(NC(=S)NNC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)cc1 73140831 MDOIXDJUVFEESO-UHFFFAOYSA-N 420.416 3.899 50 1 HHGF CCN(CC)S(=O)(=O)c1ccc(/C(O)=C(/C#N)c2nc3ccccc3n2C)cc1 102682482 PTDSKEPUQZDKMD-LVZFUZTISA-N 410.499 3.554 50 1 HHGF CN(C)CCSSCCNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1 618008288 DLPRLGLWMQREGH-UHFFFAOYSA-N 420.648 3.902 50 1 HHGF O=C(O)Cc1ccc(CC[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 26734011 HFPJUWRQPGXQQX-ALIBIFOGSA-N 421.497 3.847 50 1 HHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc(Br)c1OC 34231925 ABNXVRILDBWQDF-INIZCTEOSA-N 416.275 3.575 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2CCOC2)N1 587672763 HNLYEXBTRYIIBN-VPJDZLOFSA-N 407.121 3.749 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@H]2Br 587679580 GKQWVUYHGSDTDN-YVILZHTOSA-N 405.105 3.834 50 1 HHGF Cc1ccc(O)c(/C=N/NC(=O)c2cccc(Br)c2Br)c1 1857574611 BQUUHOKQJJFMCO-QGMBQPNBSA-N 412.081 3.990 50 1 HHGF COc1cc(/C=C(\C#N)C(=O)OCCc2ccc(O)cc2)cc(Br)c1O 653874642 VZDATCNKEYZTDR-RIYZIHGNSA-N 418.243 3.562 50 1 HHGF COCCOc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653875532 NFOSIFORXQYVMS-UHFFFAOYSA-N 421.284 3.790 50 1 HHGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@@]1(C)OC(C)=O 2356542693 BFNUDUOPAMBJLW-MCEIDBOGSA-N 408.491 3.770 50 1 HHGF C[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N=C=O 587884913 RYODWOCPUIEFAV-HNNXBMFYSA-N 401.293 3.971 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1COc3ccccc3O1)O2 587371669 FMPFDOSQWZOYCK-PKOBYXMFSA-N 404.260 3.516 50 1 HHGF COc1ccc(OC)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372262 IBCITUFUPSGQJO-LJQANCHMSA-N 406.276 3.850 50 1 HHGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OC(C)(C)O[C@@]1(C)CO 2356384535 UGXXUYXGMCGXKD-BUZFHVMYSA-N 404.620 3.725 50 1 HHGF CCCCC1=N[C@@H](Cl)[C@@H](CO)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26736903 JGABCUJSSAEYFF-TZIWHRDSSA-N 424.936 3.864 50 1 HHGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 44052510 FRBMHRPOABKXCU-DVWBAYGPSA-N 422.930 3.891 50 1 HHGF COc1ccc([C@H]2O[C@]34C[C@@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934057 MVHDSMPUVNIQOV-JVSAHFFESA-N 410.422 3.807 50 1 HHGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4cc(O)c(O)c(O)c4)cc3)[nH]c2cc1C 473099407 FQIYHONJJCFWBA-BHGWPJFGSA-N 416.437 3.727 50 1 HHGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586971710 XHPCPQAEMJNKKT-UHFFFAOYSA-N 418.135 3.654 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccncn2)N1 587672218 FCNGXGNYTNQGLZ-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF O=C(N/N=C/c1cc(OC(F)(F)F)ccc1O)c1ccc(Br)cc1 1857615460 LFORHMZYLJKLHI-DNTJNYDQSA-N 403.154 3.817 50 1 HHGF CC(=O)N1CCc2sc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C1 587415806 YBZSHUDJIFVMAB-HXUWFJFHSA-N 404.919 3.643 50 1 HHGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccncc1F)N(C)[C@@H](C)C2 962631079 QGRVAQAOBMSFCM-HXPMCKFVSA-N 409.299 3.753 50 1 HHGF O=CC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 2356575647 VGYIUIBYSYNRNZ-DQUFFZNGSA-N 410.602 3.868 50 1 HHGF C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C1/C(=O)Nc2ccccc21 103189561 ASBQDRZFFYFUCS-QMMMGPOBSA-N 412.660 3.887 50 1 HHGF C=C(COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)OC 1772647322 YXEIVDURBFXPSG-UHFFFAOYSA-N 402.318 3.566 50 1 HHGF C=C1[C@H](OC(C)=O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@@H]1CC(=O)NC1=O 2356428857 ADKAPSSZHRWQSY-UNVQJORHSA-N 409.954 3.987 50 1 HHGF O=C(CCCl)Nc1ccc2c(c1NC(=O)CCCl)C(=O)c1ccccc1C2=O 82151026 ANLSJYXXLPHJEK-UHFFFAOYSA-N 419.264 3.597 50 1 HHGF COC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417912 QOHBNIMZLWEGSC-DAKYAEBGSA-N 403.862 3.697 50 1 HHGF C=CC(C)=CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCC)C=C(C=O)[C@@]2(C=O)[C@@H](O)C[C@H]1C 2356337975 JNCWBVCCDFJVEI-ZABFYIBNSA-N 402.531 3.958 50 1 HHGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccccc2)c2ccccc21 102140850 CLLZVZGVNJBQDA-QNGOZBTKSA-N 413.433 3.729 50 1 HHGF O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)CCl)c1cccc(F)c1 198959650 HHYJEFITGKRTJS-FQEVSTJZSA-N 403.885 3.983 50 1 HHGF O=S(=O)(C[C@]1(CBr)NCCc2cccc(Cl)c21)c1ccccc1 963390640 LZLFSVPZQSLJPS-KRWDZBQOSA-N 414.752 3.550 50 1 HHGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl)c1ccncc1 1772588779 MHWSOGNFTAEWPC-CABCVRRESA-N 421.671 3.772 50 1 HHGF CC(=O)Nc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 653784929 WYFIZLCTLXHGIE-UHFFFAOYSA-N 424.840 3.529 50 1 HHGF CN1C(=O)C[C@H]2CN[C@@](CBr)(c3c(F)cccc3F)c3cccc1c32 963026018 NDGTZVQLYVUGDY-JEOXALJRSA-N 407.258 3.657 50 1 HHGF O=C(N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)c2ccccc12)c1cccnc1 169689139 VSKYQHJUZMHUAN-DHRITJCHSA-N 418.840 3.509 50 1 HHGF CN(C)CCSSCCCNC(=O)c1ccc(OC(F)(F)C(F)F)cc1 618008250 CMWLEUIBRNTVJD-UHFFFAOYSA-N 414.490 3.986 50 1 HHGF COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)n(CCN(C)C)c3ccccc23)cc1 40428839 SFRMQNGIQOFOMV-HMMYKYKNSA-N 416.525 3.743 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCN4C(C)=O)([C@H](C)Cl)[C@@H](C2)C3=O 587418228 SVPWMNFQVFFQFY-GRUTVOCESA-N 411.885 3.874 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587545163 QBHMEYWHMKINSK-LAUBAEHRSA-N 414.797 3.868 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1cccc(N(C)C)c1 963630061 BIGKSZFEBYSVQE-SZNDQCEHSA-N 419.363 3.943 50 1 HHGF C[C@H]1C[C@@H](N(C)C(=O)C[C@@H](C)C(Cl)Cl)C(=O)N2[C@H]1CC[C@@H]2c1nccs1 2356800890 RFFLZSIXQYFHRG-MEBFFEOJSA-N 418.390 3.872 50 1 HHGF CC(C)[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 72179743 YKUZLBWBHXCGHK-AWEZNQCLSA-N 406.269 3.911 50 1 HHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587372513 JIBKUCUCJRPPRM-IBGZPJMESA-N 406.276 3.850 50 1 HHGF COC1=CN(C)C(CCl)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587684087 KGZLTBSMWAHCPM-QGHHPUGFSA-N 401.707 3.874 50 1 HHGF CC(C)(C)OC(=O)NN(CCC1CCCC1)c1nc(C#N)ncc1Br 58581669 KFAOGNFFKBJEHC-UHFFFAOYSA-N 410.316 3.937 50 1 HHGF O=C1C=CC(=CNNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C=C1 13122102 GVOHRRSFLBDJRZ-UHFFFAOYSA-N 410.477 3.807 50 3 HHGF O=C(O)CCc1ccccc1C[C@@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195217724 OURMJLFLCWODMX-QPNWJRHXSA-N 421.497 3.847 50 1 HHGF CCCCNS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587086959 KDHICPWVEPGMKD-CYBMUJFWSA-N 406.321 3.825 50 1 HHGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356475759 OZVULSZVQZGKTL-UAJZKUBTSA-N 401.035 3.695 50 1 HHGF CC[C@H]1[C@@]2(C)C[C@H](OC(=O)c3c(C)cc(OC)cc3O)[C@H]2C(C=O)=C[C@@]1(O)CC 2356768761 VJYUBMLOVYCXRP-COHCJCRJSA-N 402.487 3.567 50 1 HHGF C[C@@]1(CI)CO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43101037 CHDXYDXFQUPQHT-UTSOLEGOSA-N 400.256 3.853 50 1 HHGF CC(C)(NC(=O)CCl)c1nc2cc(Br)c(Br)cc2[nH]1 587008925 SAWSVGTUDFTLPB-UHFFFAOYSA-N 409.509 3.678 50 1 HHGF CC(=O)c1ccc2c(c1)[C@@H](C(Cl)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624557 FPIBDMMVGNMHGK-KBPBESRZSA-N 402.274 3.980 50 1 HHGF CC[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(OC)cc1 72180492 YKOLLCHLHYVMMK-LBPRGKRZSA-N 406.269 3.968 50 1 HHGF C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C/C=C1\CC(=O)NC1=O 166794132 LNPKRCWKHZHXIZ-KEBMHNAESA-N 407.938 3.907 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NS(C)(=O)=O)cc1)CC2=O 587487135 MXXCHLPDVQXUEW-HXUWFJFHSA-N 423.918 3.816 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccc2[nH]nc(-c3ccccc3)c2c1 618017129 GCGHKJOUNCIACW-UHFFFAOYSA-N 400.573 3.903 50 1 HHGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)NC)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356861571 UKMWJMVDJGVLDO-KVGJFGCYSA-N 423.667 3.559 50 1 HHGF C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@H](O)[C@@H]1C[C@@H](C)C(Cl)Cl)C(Cl)Cl 238755400 KSLNDMUDKLQWJA-UYAYMFIHSA-N 407.165 3.771 50 1 HHGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1C 962976663 NQCZRDVWPQLYOL-KSSFIOAISA-N 403.256 3.655 50 1 HHGF C[C@H](C(=O)O)N1C(c2ccco2)=C(/C(C=O)=C\c2ccco2)C(=O)/C1=C\c1ccco1 95619317 WKLHCENPFNYZSQ-HXPIICFUSA-N 419.389 3.858 50 1 HHGF endogenous,in-man Cn1c(/C(C#N)=C(\O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc21 102715818 DWRAVFZEXVWHDO-UZYVYHOESA-N 422.510 3.698 50 1 HHGF CN(C)/C=C(\C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325530 YOBISABUMFOVAY-JPMFCXMDSA-N 400.837 3.837 50 1 HHGF CN(C)/C=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325531 YOBISABUMFOVAY-XAEZAEFESA-N 400.837 3.837 50 1 HHGF CC1=C(C#N)C(c2ccc3c(c2)c(=NC(=O)c2ccccc2C)[nH]n3C)C(C#N)=C(C)N1 1911570252 YJJMPAOJOSVSDB-UHFFFAOYSA-N 422.492 3.838 50 1 HHGF CCN(CC)C(=S)S[C@H]1CCO[P@](=O)(N(CCCl)CCCl)N1C 5807561 NWUUTAVBTIUBPX-QKVFXAPYSA-N 422.384 3.912 50 1 HHGF O=C(CCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541465 BRVFRMQAPOROIV-OFNKIYASSA-N 423.852 3.604 50 1 HHGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1C 962975953 NQCZRDVWPQLYOL-KBXCAEBGSA-N 403.256 3.655 50 1 HHGF C#CC=CC[C@H](Br)[C@]1(OC)C[C@@H]2O[C@H](CC)[C@H](Br)C[C@H]2O1 2356634940 OWMHLDFUWHSEBI-ODICJLLRSA-N 422.157 3.792 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@](CBr)(CC[C@@H]3CCCCO3)c3cccc1c32 963027341 NVKRIQCORFYYGY-SIFCLUCFSA-N 407.352 3.679 50 1 HHGF O=c1c2cc(Br)ccc2nc(CCl)n1-c1ccc(O)c([N+](=O)[O-])c1 73311647 WKSXUEQCSQGGDB-UHFFFAOYSA-N 410.611 3.501 50 1 HHGF O=C(O)CCc1ccccc1C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 299804896 OURMJLFLCWODMX-HXUTWOOFSA-N 421.497 3.847 50 1 HHGF O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccc2oc3ccccc3c2c1 34340934 OENQPFUXCWVGIQ-UHFFFAOYSA-N 400.843 3.863 50 1 HHGF C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(N)cc1 53294766 ZWLHTDWFWMTJBR-QFEZKATASA-N 416.441 3.930 50 1 HHGF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838767 OZLIRUYVCBMLKR-BIBXISHDSA-N 418.262 3.850 50 1 HHGF C[C@H](Br)C1([C@H](C)Br)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017289 BNHMJUNMDRZPOK-DCAQKATOSA-N 416.157 3.502 50 1 HHGF O=C(O)Cc1ccc(CC[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 101267072 HFPJUWRQPGXQQX-ZPXIVWIBSA-N 421.497 3.847 50 1 HHGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962917240 FIEIZDOSLGCNJR-HTAPYJJXSA-N 418.896 3.791 50 1 HHGF CC1=C[C@@]2(O)[C@@H]([C@]3(C)CC[C@@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC=O)[C@H]2CC1 2356667108 IDWJAJISNRTBQV-ORHJNQCKSA-N 406.592 3.808 50 1 HHGF COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/C#N)CC[C@@H]12 40616217 UDIMWJFBNNEDBB-KEJRKCQQSA-N 402.516 3.584 50 1 HHGF CC(C)(N)CNC(=O)CCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49694762 KTVMQTPKTNBCPQ-UHFFFAOYSA-N 406.567 3.637 50 1 HHGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cc2cc(Cl)ccc2nc1Cl)c1ccncc1 1772588785 MHWSOGNFTAEWPC-HUUCEWRRSA-N 421.671 3.772 50 1 HHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc(Br)c1OC 34231924 ABNXVRILDBWQDF-MRXNPFEDSA-N 416.275 3.575 50 1 HHGF CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(OC)c1 653838487 BETFYXIICSGTHD-LPYMAVHISA-N 412.515 3.925 50 1 HHGF C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@H]1CC(=O)NC1=O 238752121 ADKAPSSZHRWQSY-JCQWKXKKSA-N 409.954 3.987 50 1 HHGF Cc1cc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2cc1[N+](=O)[O-] 587009941 XOGTWWFVMLEUPX-KRWDZBQOSA-N 411.849 3.900 50 1 HHGF O=C(O)Cc1cccc(CC[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652171 LULNMGLDEMLBSW-WJMRMORBSA-N 421.497 3.847 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@H](C)Br)[C@@H](C2)C3=O 587414574 NBUZWCZMCNZLLJ-ZNUZLIQOSA-N 417.255 3.850 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 587728658 FUBWRAPYWZNEBQ-OVWNDWIMSA-N 406.226 3.980 50 1 HHGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 5582650 YUGGIBNMRNWUKD-OAHLLOKOSA-N 412.921 3.673 50 1 HHGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC[C@H](C)[C@H]2OC(C)=O 2356788066 BVTHNPARSMPDCF-RGUXXRPSSA-N 408.491 3.578 50 1 HHGF CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 45347450 SENKHALBSUKUMS-QFIPXVFZSA-N 422.529 3.871 50 1 HHGF CC1=C(C#N)C(c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)C(C#N)=C(C)N1 68151700 HJVPYROVFMCNNK-UHFFFAOYSA-N 402.502 3.710 50 1 HHGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372147 JOUPQRCFCLKRQD-RCDICMHDSA-N 400.906 3.744 50 1 HHGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687763 HTZVRQVXSXHSDA-WNWIJWBNSA-N 415.690 3.605 50 1 HHGF COc1ccc2c(c1)[C@@H](NC(=O)CCl)CCc1cc(OC)c(OC)c(OC)c1-2 26716292 DFVMKBURVHIHAL-INIZCTEOSA-N 405.878 3.730 50 1 HHGF N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604906 ABHNLLGTLQXNBA-UGKGYDQZSA-N 421.430 3.875 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](S(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103106194 RVHHVKGXJYWAFY-BLWYLUKMSA-N 408.516 3.668 50 1 HHGF CN1CC=C(O[P@](=O)(NCc2ccccc2)N(CCCl)CCCl)CC1 73333579 WCTCITAAGCWGMK-RUZDIDTESA-N 406.294 3.900 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@@]31[C@@H](Br)CCC(=O)C1(C)C 963059470 RFTITRGCVVOZNP-YWZLYKJASA-N 403.320 3.737 50 1 HHGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772611597 IELLBVHKMZEJKJ-RUYXUALKSA-N 408.389 3.764 50 1 HHGF COc1cc([C@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 238756130 DGNJLNNHIGBXSV-KOMIRPDLSA-N 400.427 3.834 50 1 HHGF COc1ccc2c(c1)CC[C@H](Br)[C@]21NCCc2c1c(C(C)C)nn2C 962908014 KFKUPHMJUQUBDR-FXAWDEMLSA-N 404.352 3.651 50 1 HHGF COc1cc2c(cc1OC)[C@](C(C)C)([C@@H](C)Br)NCC21CCOCC1 963191551 PCFPCYSYFRKHNE-VLIAUNLRSA-N 412.368 3.990 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@H]23)c(O)c1 2356461864 WOXXSXDXNWLLQQ-PWGQJDKOSA-N 414.498 3.567 50 1 HHGF COc1cc2c(cc1OC)[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962616790 AKZOZPIKWPRIAI-RXSFTSLZSA-N 412.958 3.928 50 1 HHGF CC(=O)NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 138583326 MNTQQYGWONAITM-UHFFFAOYSA-O 404.470 3.814 50 1 HHGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2cc(O)ccc2n1C 96903514 IDKUSVAEHGREHH-JMIUGGIZSA-N 402.248 3.506 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 587734362 QXNUWNBACCIFJG-OVWNDWIMSA-N 406.226 3.980 50 1 HHGF COC(C)(C)[C@@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586971278 QGRDAWJYBSJQKZ-JTQLQIEISA-N 406.074 3.885 50 1 HHGF CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@@H]31)CC2=O 587459259 HGKXLOLOLWWAAS-VXKWHMMOSA-N 418.921 3.503 50 1 HHGF CS/C(N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(N)=O 103222896 CSYJNDWZIDKPFK-XMGGNUPJSA-N 411.464 3.901 50 1 HHGF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838769 OZLIRUYVCBMLKR-PRWKNARSSA-N 418.262 3.850 50 1 HHGF C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43101025 CHDXYDXFQUPQHT-PYIOCPRISA-N 400.256 3.853 50 1 HHGF CCOC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587669290 CNGZSXWOTDBFEH-CEFVDNRUSA-N 423.120 3.664 50 1 HHGF C/C(=C\[C@]1(C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21)NNC(=O)CC#N 962661348 CFWADDRSTSIOKD-JLVIMGNISA-N 414.431 3.695 50 1 HHGF O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 26164682 HCYPSQCFFZTSLP-YCBRJQAISA-N 405.882 3.646 50 1 HHGF CN1CN(Cc2ccccc2)CN(C[C@@H](O)/C=C\CO[Si](C)(C)C(C)(C)C)C1=O 206394211 AGHNIHAFLNLLOY-IMTHGLKYSA-N 419.642 3.710 50 3 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C(=O)CBr)ccc1O 963636441 QVEUZYZMBWOGRR-YBTHPKLGSA-N 420.303 3.611 50 1 HHGF Cn1c(CCl)nc2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 587889402 VKUBQUURLUGEES-UHFFFAOYSA-N 421.715 3.724 50 1 HHGF CCOC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98085638 HWMPXFDQSNIGMT-NGRSNHEWSA-N 413.424 3.739 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587415329 RENBLIMUEUQYSQ-MGPUTAFESA-N 419.271 3.750 50 1 HHGF COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O 587382330 PWJXHRMFQTXSQL-GOSISDBHSA-N 410.239 3.686 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnccn2)N1 587673561 OHIBRCPYWVNECR-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF C/C=C(\C=O)[C@H]1[C@@H](OC(C)=O)[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C 96933539 CQIQFZVEWSZZEF-ODZCDXGJSA-N 416.558 3.824 50 1 HHGF O=C(O)Cc1cccc(CC[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195219508 LULNMGLDEMLBSW-QPNWJRHXSA-N 421.497 3.847 50 1 HHGF COc1ccc(Cc2c(N)nn3c2N[C@H](c2ccc(Cl)cc2)C(C#N)=C3N)cc1 957605639 YVFDILAJNJXYNI-GOSISDBHSA-N 406.877 3.536 50 1 HHGF C/C(=N\NC(=O)/C(C#N)=C\c1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1 17223279 HVGZOUQBMXBZMW-LRIPKGCSSA-N 410.481 3.768 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@@H]4C[C@@H](I)[C@H]3[C@@H]1CC[C@@H]2O 299848358 NLNYYLUJHDCQJA-RWBRURRKSA-N 402.316 3.983 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1cccc(C(=O)O)c1 963271910 XHGYRZFMOKLFEG-GOSISDBHSA-N 410.695 3.831 50 1 HHGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 38216301 AALSORRRZZMCBJ-CQSZACIVSA-N 424.309 3.961 50 1 HHGF COc1cc(/C=N/NC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)ccc1O 101946201 FRHUEAGDXHKNBR-ROJRZLEPSA-N 419.481 3.651 50 1 HHGF O=C(O)Cc1ccc(CC[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 253771010 HFPJUWRQPGXQQX-SZARQIBASA-N 421.497 3.847 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cncnc2)N1 587671694 ADCTULAYHYXSCG-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(C#N)[C@H]2c1ccccc1OC 39324377 AVRXZKZKTXEVFZ-XUUSCSPLSA-N 415.493 3.795 50 1 HHGF CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(=O)Cc1ccc(OC)cc1 40892714 BHHYYNKNOBJQBX-UHFFFAOYSA-N 407.470 3.861 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](Br)C2=O)N1 587681322 KJMMVBPUPZAINR-SXKNGAHQSA-N 405.105 3.834 50 1 HHGF C[C@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)NCCc2ccc(C(=O)N(C)C)cc21 962933206 SLTUPIMYKLRFCG-LFVRLGFBSA-N 421.932 3.629 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C(=O)CBr)ccc1O 963636437 QVEUZYZMBWOGRR-BIBXISHDSA-N 420.303 3.611 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)NC(=O)CS4)[C@@H](C2)C3=O 587450031 CXYVTZFPNBWRAZ-RNODOKPDSA-N 401.871 3.621 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 257430911 GYCBSZGIYPNYAB-ACNOGYGUSA-N 414.498 3.918 50 1 HHGF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2CCOC2)N1 587672376 FSHXUANFTLFXKV-BPYAMOTFSA-N 407.121 3.749 50 1 HHGF COC(=O)[C@@H]1C[C@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 64540103 SGNJGRJIPDONNA-CEFSSPBYSA-N 408.878 3.676 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)CCO2 95808499 RFMMAOSCQCFUFO-LFVJCYFKSA-N 409.486 3.757 50 1 HHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(F)cc(CBr)c2)N1 963231590 NIIAXTQKSKYYGG-RBUKOAKNSA-N 415.262 3.957 50 1 HHGF NC(=O)c1cnc2c(SSc3cccc4cc(C(N)=O)cnc34)cccc2c1 1772623683 PYKBGJHTBCZDGQ-UHFFFAOYSA-N 406.492 3.780 50 1 HHGF CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1 17060014 ADVHRXPQHZKPLC-BEHKCWOLSA-N 421.242 3.615 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 40447574 BOFCSNBFDWKKGX-VSRNGQBXSA-N 423.494 3.697 50 1 HHGF COC(=O)CC[C@@]1(CBr)c2cccc(F)c2CCN1[C@H]1CCSC1 962695849 FZJMPFLYYOEXGG-SCLBCKFNSA-N 416.356 3.733 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587684916 MZALPAPZZJTGRJ-ANRSDYALSA-N 402.651 3.841 50 1 HHGF O=C(N/N=C/c1cccc(O)c1O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653758598 BNILPPDXXUVJTP-ZMOGYAJESA-N 400.390 3.635 50 1 HHGF COc1ccc2onc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)cc3)c2c1 40640680 VNOHGXUPDQHCJG-NBVRZTHBSA-N 405.454 3.612 50 1 HHGF COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccccc2)O4)cc1OC 96934042 JZCAEGRXFGPXEW-PRTQVNTJSA-N 410.422 3.807 50 1 HHGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973183 GJVHDXLFPZSEKX-DAXSKMNVSA-N 422.304 3.780 50 1 HHGF CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1 587923656 CFONOIRPOQFKAU-RIYZIHGNSA-N 413.480 3.657 50 1 HHGF CCOC(=O)C[C@H](Br)[C@@]1(C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962618707 DJOPNKYPSCUWRC-ODYMNIRHSA-N 414.340 3.512 50 1 HHGF C[C@@H](C(=O)O)N1C(=Cc2ccco2)C(=O)C(C(C=O)=Cc2ccco2)=C1c1ccco1 2356285556 WKLHCENPFNYZSQ-AWEZNQCLSA-N 419.389 3.858 50 1 HHGF CCSc1nc(N2CCOCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13682762 PCYWYCYVYPEYJS-MRXNPFEDSA-N 403.939 3.755 50 1 HHGF COc1cccc(-c2nc(SC)nc3sc(C(=O)NNC(C)(C)C)c(N)c23)c1 35943499 LPQGXGNLVLUXMD-UHFFFAOYSA-N 417.560 3.704 50 1 HHGF O=CC1=C[C@]23CC/C=C\CCCCN4CC[C@@H]1[C@]1(C[C@@H]5CCC(=O)CC[C@@H](O2)N5[C@@H]31)C4 102215391 WUKOCMHQGBCSFZ-YXGWEFFESA-N 424.585 3.635 50 1 HHGF CC(C)[C@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587683146 FSKJRWDXLUKIBP-YKJXYISPSA-N 405.739 3.717 50 1 HHGF C/C(=C\[C@@]1(C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21)NNC(=O)CC#N 962661346 CFWADDRSTSIOKD-IBUXMESJSA-N 414.431 3.695 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1C[C@@H](I)[C@H]2O 253634436 NPYAZDAEDMDKIX-MKHKUUNOSA-N 400.300 3.903 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)Br)[C@@H](C2)C3=O 587414208 LRJIECIXOYNBLJ-BONVTDFDSA-N 404.098 3.750 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 15115446 ISKWRTCZWOXOOF-YZMWRSGDSA-N 414.498 3.567 50 1 HHGF endogenous,in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198864 BZXQYDYFIDKGTD-BJMRIUMSSA-N 402.535 3.812 50 1 HHGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccccc1 103248288 CYICNTOVLDMNGX-YZSQISJMSA-N 421.932 3.551 50 1 HHGF COc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 587426439 NSRFRTLQFMLYEI-AUUYWEPGSA-N 407.235 3.881 50 1 HHGF O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc(O)c(O)c(O)c1 653913858 DQQGXZSLGMWSAU-FOKLQQMPSA-N 412.829 3.800 50 1 HHGF C=N[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 2356493727 DXNRKQZSDLZIAZ-GZZORMBGSA-N 413.002 3.703 50 1 HHGF COC1=C/C(=C/C(C#N)=C2/NC(c3cc4ccccc4oc3=O)=CS2)C=CC1=O 13124229 REFZXNRMJYWJAN-LBOBZYTGSA-N 402.431 3.759 50 3 HHGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)s1 148919503 ZNSOFVVOQGNYJR-XYOKQWHBSA-N 422.514 3.987 50 1 HHGF O=C(O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587546251 VFWPCHGBVPITHC-OXQOHEQNSA-N 400.770 3.779 50 1 HHGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 101045469 FRBMHRPOABKXCU-UMSONDCASA-N 422.930 3.891 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)O2 587386042 WZFIJIPWROKFGF-VQIMIIECSA-N 422.250 3.815 50 1 HHGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587643928 KSAMOQVZHNHTJM-UHFFFAOYSA-N 414.215 3.767 50 1 HHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 587546337 WBAHVKONDLTQSI-VQIMIIECSA-N 400.774 3.724 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 587846706 QTODCJQILBXJPN-YPMLDQLKSA-N 423.307 3.991 50 1 HHGF C[C@@]12CCCC(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)=C1C(=O)O[C@H]2c1ccoc1 103288528 ODPPKJNNCMLETC-MYRHLRDYSA-N 409.398 3.688 50 1 HHGF CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O 587107196 PVAJTCNAUWIPLC-XMMPIXPASA-N 417.417 3.571 50 1 HHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCl)c(C)c2c1 587618384 PEWPBUFNDCAYOZ-UHFFFAOYSA-N 423.878 3.975 50 1 HHGF NNC(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 586999656 ACWKCVFWOZRSTI-UHFFFAOYSA-N 411.259 3.661 50 1 HHGF CC(C)[C@@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587683139 FSKJRWDXLUKIBP-FDOKIQAASA-N 405.739 3.717 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(c3c(F)cccc3F)c3cccc1c32 963026024 NDGTZVQLYVUGDY-NSPYISDASA-N 407.258 3.657 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2CCOC2)N1 587672379 FSHXUANFTLFXKV-VPJDZLOFSA-N 407.121 3.749 50 1 HHGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)CC(C)=CCC=C(C=O)[C@@H]1COC(C)=O)OC(C)=O 2356793847 HOVZFWJLMRWNLW-DQXGGZLGSA-N 420.546 3.932 50 1 HHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@@]13OO2 43328029 PAJGUOZUMGHCQI-HWHBRISVSA-N 420.458 3.548 50 1 HHGF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587122667 VZJVMGLRXVIVQW-UHFFFAOYSA-N 401.348 3.589 50 1 HHGF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587837662 JSFYTJCONZFWQX-YBTHPKLGSA-N 418.262 3.850 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CO)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43393462 DLZMRMBSLOXVDK-BAJXCRMASA-N 404.503 3.904 50 1 HHGF O=C(Cc1cccnc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26983434 AXKDITWHDDIXRG-UHFFFAOYSA-N 408.845 3.831 50 1 HHGF COc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)cc1O 653754336 RVBPVDUGYYDINV-AFUMVMLFSA-N 414.417 3.938 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587415410 RTQCDQGXKDPBBR-VBKZILBWSA-N 419.271 3.750 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)OCCO3)O2 587375433 SGLZVVFJYLIKLB-IBGZPJMESA-N 404.260 3.604 50 1 HHGF NNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F 957619745 FJVAIKCFELOORE-UHFFFAOYSA-N 421.326 3.637 50 1 HHGF C[C@H](SCc1ccccc1)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 13152019 HEBNUOIJBPJNTR-CATAHAEOSA-N 421.316 3.950 50 1 HHGF CCN(CC)C(=S)S[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1C 5807562 NWUUTAVBTIUBPX-LAJNKCICSA-N 422.384 3.912 50 1 HHGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838768 OZLIRUYVCBMLKR-GIPWTMENSA-N 418.262 3.850 50 1 HHGF CCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857655835 GPHHJURHMHTPLG-MRXNPFEDSA-N 423.425 3.591 50 1 HHGF C=C(C)[C@H](CC[C@H](C)[C@H]1[C@H](COC(C)=O)C(C=O)=CCC=C(C)C[C@H]1O)OC(C)=O 2356793844 HOVZFWJLMRWNLW-BQEPTVRSSA-N 420.546 3.932 50 1 HHGF CC(C)(C)OC(=O)NN(Cc1ccccc1)c1nc(C#N)ncc1Br 58581670 NACZMSYGWWRDGJ-UHFFFAOYSA-N 404.268 3.557 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@H]23)c(O)c1 238781744 BGKXQRPQNIXIMH-FGZHBXRWSA-N 414.498 3.567 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 1857623399 CLHOQFOFZHJBHD-LXSJAODNSA-N 424.965 3.677 50 1 HHGF CN(C)CCSSCCNC(=O)Nc1ncccc1OCc1ccccc1 618008032 WPXPXVIYJQSPDZ-UHFFFAOYSA-N 406.577 3.725 50 1 HHGF CCOC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323221 QCCHNPBSPRMRAN-LPHOPBHVSA-N 423.234 3.587 50 1 HHGF O=C(O)CCc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 169336043 OURMJLFLCWODMX-XKRPHLHYSA-N 421.497 3.847 50 1 HHGF CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 170117990 RLYPONLPAHPYMG-UWHLTILDSA-N 401.579 3.778 50 1 HHGF in-vivo C[Si](C)(C)C#C[C@]1(CBr)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962775190 ZKNHAFKSOWMMFO-GDBMZVCRSA-N 418.329 3.803 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1CCOC1 587537790 KFJLUTMYGCZBLJ-RNRVQEDPSA-N 405.244 3.524 50 1 HHGF CSc1nc(N2CCOCC2)c2cnn(C[C@@H](Cl)c3ccc(F)cc3)c2n1 40404012 ISVTYRFHGWFKQR-OAHLLOKOSA-N 407.902 3.504 50 1 HHGF O=C(O)Cc1cccc(CC[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195219495 LULNMGLDEMLBSW-DLGXVNBQSA-N 421.497 3.847 50 1 HHGF CCOC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98085637 HWMPXFDQSNIGMT-OQLLWMKQSA-N 413.424 3.739 50 1 HHGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449008 CZJWVCWQSLZJER-JOTOCRJQSA-N 421.902 3.532 50 1 HHGF CCc1ccc2c(c1)[C@@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(C=O)=CO2 962732345 ZRUQHZGJVMNQLF-GHTZIAJQSA-N 401.384 3.614 50 1 HHGF COc1cc2c(cc1OC)[C@@]1(NCCc3ccc(F)c(C)c31)[C@@H](Br)C2 962089236 GHXHNIMREKULPD-AZUAARDMSA-N 406.295 3.860 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1cccc(C(=O)O)c1 963632583 GCBPAVBSTVXXSX-MPBGBICISA-N 420.303 3.575 50 1 HHGF COc1ccc2c(c1)CC[C@@H](Br)[C@]21NCCc2c1c(C(C)C)nn2C 962908078 KFKUPHMJUQUBDR-YLJYHZDGSA-N 404.352 3.651 50 1 HHGF O=C(O)[C@@H](CC[S@@](=O)c1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 31291726 AMJPXGQNYYTBKB-JRPXNJEYSA-N 422.506 3.945 50 1 HHGF in-man CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587499057 QRASCZWFSUGJRW-XLIONFOSSA-N 422.319 3.895 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 15115442 ISKWRTCZWOXOOF-NQCGFHHJSA-N 414.498 3.567 50 1 HHGF endogenous,in-man O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCBr)cc(O)c12 45495997 WUKMMSZDFDDCED-UHFFFAOYSA-N 419.227 3.711 50 1 HHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCOCC1 587539662 XFGATXDNVYDOCB-XLIONFOSSA-N 419.271 3.914 50 1 HHGF O=C(N/N=C/c1ccc(Cl)cc1)c1cc(Br)c(Br)[nH]1 169702854 FTPSHLLKPSDBFJ-OMCISZLKSA-N 405.477 3.957 50 1 HHGF Cc1cc2c(cc1O)[C@@](CBr)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963513109 YEYDEMSZXQZZGV-MAUKXSAKSA-N 410.695 3.591 50 1 HHGF Cc1cc(=O)oc2cc(OCC(=O)NNc3ccnc4c(Cl)cccc34)ccc12 103221142 WKNUPTRHGDEEAT-UHFFFAOYSA-N 409.829 3.825 50 1 HHGF CN(C)C(=O)/C(C#N)=C/c1cccc(Oc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1 148949735 NZQWDBBFBAQVEQ-OQLLNIDSSA-N 417.469 3.974 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101187057 USELZKKLESYBRF-SVJWXVJMSA-N 404.459 3.972 50 1 HHGF Cc1nonc1[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952433 HQLQJGBWZWDOOA-QGZVFWFLSA-N 401.816 3.531 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])s1 95808880 IOMNPNGPPQOBNJ-DEDYPNTBSA-N 418.475 3.791 50 1 HHGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1C(F)(F)F)N(CCCl)CCCl 64540296 NMKVYOCGAZOCKD-RUZDIDTESA-N 424.143 3.977 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccncn2)N1 587671726 AKGKIVKCTHMMBR-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 169698730 VFNOPSPJFUZFBO-PMACEKPBSA-N 412.405 3.737 50 1 HHGF Nc1ccc(SSCCNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N=O)cc1 169717434 AXOVZYMEJKWZRF-OAHLLOKOSA-N 411.936 3.862 50 1 HHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1O 1489419 BJZOYRGSQDXJIJ-INIZCTEOSA-N 412.243 3.863 50 1 HHGF CCN(CC)S(=O)(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1 101840785 PTDSKEPUQZDKMD-JZJYNLBNSA-N 410.499 3.554 50 1 HHGF CC(C)CN(Cc1ccc(Cl)c(OS(C)(=O)=O)c1)C(=O)/C=C/[C@@H](C)Cl 103286575 GRDYIWNBIJBDRP-OQHXTRMZSA-N 408.347 3.847 50 1 HHGF C=N[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@H]2CC[C@]1(C)O 2356493728 DXNRKQZSDLZIAZ-PSDTUPOISA-N 413.002 3.703 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccco1 34802423 RKONXIURGYGSAE-UOFXHNCJSA-N 412.467 3.895 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)NC(=O)CO3)CC2=O 587458287 AADZIVSVRJMQNA-NRFANRHFSA-N 401.846 3.775 50 1 HHGF CC1(C)C(=O)CC(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 197977476 RCHJXCDZVWBWSR-JOCHJYFZSA-N 424.613 3.864 50 1 HHGF CN1CCc2cnn(C)c2[C@@]1(c1cc(F)ccc1F)[C@H](Br)CCCl 963956123 VAOJCDJAYQQDOU-NVXWUHKLSA-N 418.713 3.822 50 1 HHGF CCCCC1=N[C@H](Cl)[C@H](CO)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26736918 JGABCUJSSAEYFF-FPOVZHCZSA-N 424.936 3.864 50 1 HHGF CC1=C[C@@]2(O)[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC=O)[C@H]2CC1 2356667107 IDWJAJISNRTBQV-KHZGBZNMSA-N 406.592 3.808 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 587546332 WBAHVKONDLTQSI-LPHOPBHVSA-N 400.774 3.724 50 1 HHGF C[C@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN 587102937 BTFNPAVVMNBETC-AWEZNQCLSA-N 409.445 3.870 50 1 HHGF N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1)c1ccccc1 5722377 RHYLKAKIUJIVPI-UGNLZVGFSA-N 422.444 3.662 50 1 HHGF O=C(O)Cc1cccc(CC[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 169336399 LULNMGLDEMLBSW-XKRPHLHYSA-N 421.497 3.847 50 1 HHGF CC(=O)NN[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27328852 XTVWXAJXXHEWEV-OAQYLSRUSA-N 420.469 3.678 50 1 HHGF Nc1ccc(C(=O)N/N=C/C2=C/C(=N/Nc3cccc4ccccc34)C=CC2=O)cc1 100513894 SWMZZXYABSZWGH-FQXBNQDOSA-N 409.449 3.671 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1cccc(C(=O)O)c1 963632587 GCBPAVBSTVXXSX-ODXCJYRJSA-N 420.303 3.575 50 1 HHGF Cc1ccc(O)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2)c1 1857558259 PWKMBHBJQCXUEQ-QGMBQPNBSA-N 412.081 3.990 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 1857623401 CLHOQFOFZHJBHD-ZVPCCRMGSA-N 424.965 3.677 50 1 HHGF Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC(=O)c3ccc(N)cc3)cc1)[n+]2C 26833821 SLQULWOWJGAPOB-OHRRRPBESA-O 410.501 3.589 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)O)co2)N1 587685159 NZRZEXOMJBMGRP-ZKANADHPSA-N 402.647 3.896 50 1 HHGF C=CC(C)=CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C=O)C(C=O)=C[C@@H](OC(=O)CCC)C[C@@H]21 2356337976 JNCWBVCCDFJVEI-ZVRAQLMHSA-N 402.531 3.958 50 1 HHGF CCCCC[C@@H]1OO[C@H](CC(=O)OCC)[C@H](Br)[C@H]1Br 66259402 GPGJLHQEMSPBBI-LFSVMHDDSA-N 402.123 3.746 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C2)C3=O 587418729 AVFRGDUEEQYDHK-DHUIEDIVSA-N 409.910 3.970 50 1 HHGF COc1cc2c(cc1OC)[C@@](C(C)C)([C@H](C)Br)NCC21CCOCC1 963191548 PCFPCYSYFRKHNE-VBKZILBWSA-N 412.368 3.990 50 1 HHGF C=C([C@@H]1CC[C@](C)(O)[C@H](Br)C1)[C@@H]1[C@H](O)[C@@H]2[C@H](CC[C@]2(C)O)C1(C)C 2356797637 OERZXAKPKLPTJX-ZAZINTTRSA-N 401.385 3.651 50 1 HHGF C[C@@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN 587102956 BTFNPAVVMNBETC-CQSZACIVSA-N 409.445 3.870 50 1 HHGF Cc1c(O)ccc2c1[C@@](CBr)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963490556 KTGVYYGYXYEQQP-KKSFZXQISA-N 416.315 3.622 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)OCCO3)O2 587375434 SGLZVVFJYLIKLB-LJQANCHMSA-N 404.260 3.604 50 1 HHGF COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418593 UGVXIWCDDSQPIZ-OXFYSEKESA-N 401.256 3.666 50 1 HHGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411203 BWIYIIAOBLWVJG-DNVCBOLYSA-N 408.907 3.632 50 1 HHGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OC(F)(F)F)cc1 1857566305 LXQCGFMEEQHECZ-DNTJNYDQSA-N 403.154 3.817 50 1 HHGF CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1 73258571 WMKYMEKYNODWLV-FQEVSTJZSA-N 416.418 3.773 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2Br)N1 587687177 XVXLMJWXXSQKAW-YIUPMNOESA-N 405.105 3.834 50 1 HHGF C[Si](C)(O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1857767855 KYIXMFDHWLZHHB-UHFFFAOYSA-N 411.599 3.529 50 1 HHGF CC(=O)NCCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372514 MBLIWFQYNRCINQ-QFIPXVFZSA-N 400.906 3.745 50 1 HHGF C/C(=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O)CCl 1857554042 XSUMGGSPIFUWBF-WOTHVCDCSA-N 414.885 3.974 50 1 HHGF CC(C)[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 2364234 MNLCOCZNADTZDN-ZDUSSCGKSA-N 408.321 3.648 50 3 HHGF COc1cc2c3c(c1)O[C@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416853 FQCVYUGBLSVYRB-DPOVEGGPSA-N 413.901 3.644 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)O)co2)N1 587685155 NZRZEXOMJBMGRP-PWJLMRLQSA-N 402.647 3.896 50 1 HHGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@]2([C@@H]2C(=O)Nc3ccccc32)NC1=O 1857644077 GDLCAEYLXPCKEP-CVDCTZTESA-N 414.852 3.649 50 1 HHGF C=C1[C@H](OC(C)=O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@H]1CC(=O)NC1=O 2356428856 ADKAPSSZHRWQSY-GMJQZYICSA-N 409.954 3.987 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587686148 SRIRQAGLNDTDKV-GLEZIHRCSA-N 402.651 3.841 50 1 HHGF COc1ccccc1/C=N/NC(=O)c1nc(-c2cc3ccccc3oc2=O)cs1 1857567587 UDWOFEGIPZPKNX-SSDVNMTOSA-N 405.435 3.689 50 1 HHGF C=C1[C@@H](CC=C2CC(=O)NC2=O)[C@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O 2356535891 LNPKRCWKHZHXIZ-HTXDQZCYSA-N 407.938 3.907 50 1 HHGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 38216300 AALSORRRZZMCBJ-AWEZNQCLSA-N 424.309 3.961 50 1 HHGF NC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541685 CYSPDICWXMZJIP-AVRDEDQJSA-N 424.840 3.979 50 1 HHGF Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687762 HTZVRQVXSXHSDA-RBHXEPJQSA-N 415.690 3.605 50 1 HHGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587644306 UAPQSJKSFGACNH-UHFFFAOYSA-N 414.215 3.767 50 1 HHGF Cc1n[nH]c(C)c1S(=O)(=O)N1CC/C(=C(\C#N)c2ccc(Cl)cc2)[C@H](C)C1 1772639472 UHAAKMVWUJVWNK-NUMWXTGKSA-N 404.923 3.688 50 1 HHGF Cc1n[nH]c(C)c1S(=O)(=O)N1CC/C(=C(\C#N)c2ccc(Cl)cc2)[C@@H](C)C1 1772639471 UHAAKMVWUJVWNK-GHXQLAGASA-N 404.923 3.688 50 1 HHGF Cc1ccc(NC(=O)CNC2=C(C#N)[C@@H]3CCCN3C(=S)N2c2ccccc2)cc1 96935421 OQVKDXGYSOUGQL-FQEVSTJZSA-N 417.538 3.528 50 1 HHGF Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)nc12 103280693 HDDLHLNMGKUISO-GJZGRUSLSA-N 422.341 3.919 50 1 HHGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 253638970 FRBMHRPOABKXCU-NASSWSRMSA-N 422.930 3.891 50 1 HHGF CC[C@@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@@H](Cl)[C@]1(C)OC 2356641529 STJJUUHNLFNKIU-NQOFJFAASA-N 422.946 3.609 50 1 HHGF N#C/C=C/c1cccc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 149414110 HZHQWAJHXXVIFY-BEOTYTMOSA-N 413.477 3.762 50 1 HHGF COc1ccc(/C=N/NC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c(OC)c1 219920738 KHSICPFXKFCQAN-ZMOGYAJESA-N 421.453 3.573 50 1 HHGF COc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1OC 587009785 SNSDLNTZBTZKLD-KRWDZBQOSA-N 412.877 3.700 50 1 HHGF C=C1C[C@@]23C[C@H]1[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)OC 2356529400 GGKPYEWCDNJRKB-BJFNTPMZSA-N 416.590 3.860 50 1 HHGF COc1ccc(C2=NN(C(=O)[C@H](C)Br)[C@@H](c3ccco3)C2)cc1OC 43022077 YCOBSAXFCFOFSB-SMDDNHRTSA-N 407.264 3.758 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 85635075 GYCBSZGIYPNYAB-GUTDZKFXSA-N 414.498 3.918 50 1 HHGF in-man Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccc(O)cc4)c3oc2c1C 103299303 ODJNWWQRWNUSJK-DHRITJCHSA-N 400.434 3.961 50 1 HHGF O=C(CCO[P@@](=O)(NCCCl)N(CCCl)CCCl)c1ccccc1 27847373 SGAYCXWRIQMTBX-DEOSSOPVSA-N 415.685 3.992 50 1 HHGF Cc1cc2c(cc1O)[C@](c1ccccc1Cl)([C@@H](C)Br)N[C@H](C(=O)O)C2 963554413 UVKUISNQPFCQGM-XNPNBVRTSA-N 424.722 3.980 50 1 HHGF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(O)[C@H](Cl)[C@H]32)O1 2356810902 BCMWNJKZCOJCHP-PKZLQFGQSA-N 401.035 3.695 50 1 HHGF CC(=O)Oc1ccc2c(c1)OC=C(C=O)[C@@]21NCCc2c(Cl)cc(Cl)cc21 963121533 MKNKTPSWKGZSMT-HXUWFJFHSA-N 404.249 3.783 50 1 HHGF O=C(/C=C/c1ccc(-c2ccccc2)cc1)NC(=S)NNC(=O)Cc1cccs1 217494799 FUMTWCXDYYOBEV-JLHYYAGUSA-N 421.547 3.693 50 1 HHGF COC(=O)c1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372076 HIRSXDXUJATPSS-LJQANCHMSA-N 404.260 3.619 50 1 HHGF CCCOC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1 1857769582 ITNGXNNYGJZOSD-IBGZPJMESA-N 418.877 3.785 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cncnc2)N1 587673578 OMHXYBQMDFRXNP-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 136770458 CLHOQFOFZHJBHD-KBAYJZLYSA-N 424.965 3.677 50 1 HHGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689344 RURSMQDSUBZGHH-WNWIJWBNSA-N 415.690 3.605 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)O)co2)N1 587684565 LBKWUIJVSQGWKB-PWJLMRLQSA-N 402.647 3.896 50 1 HHGF COc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1Br 587940933 QMENASHJDLGXOW-UHFFFAOYSA-N 410.655 3.855 50 1 HHGF COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccccc2)O4)cc1OC 96934043 JZCAEGRXFGPXEW-RLBLXZPPSA-N 410.422 3.807 50 1 HHGF NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 473135098 KYZAPWFNINYHOC-NHCUHLMSSA-N 420.900 3.508 50 1 HHGF CN(C)CCSSCCNC(=O)Cc1c[nH]c2ccc(Br)cc12 618009143 SVHMKETWUCXWPZ-UHFFFAOYSA-N 416.410 3.532 50 1 HHGF O=C(NNC(=S)NCCCCC1CCCCC1)[C@@H]1CNc2cc(Cl)ccc2O1 96285265 XQCKYQYVHNBEJY-SFHVURJKSA-N 424.998 3.759 50 1 HHGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@H]1C#N 169694598 FZVDYIZFWTVBIT-UGKGYDQZSA-N 402.502 3.923 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc4c(s1)CCN(C(C)=O)C4)[C@@H](C2)C3=O 587453989 UBZMDDLWDQSRRJ-YCRPNKLZSA-N 417.914 3.543 50 1 HHGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N 82053310 TWCWLBLDMMEMAG-ZDUSSCGKSA-N 410.720 3.569 50 1 HHGF O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2ccccc12 1857747056 GCQHCUGYECJFMD-NUGSKGIGSA-N 409.243 3.745 50 1 HHGF O=C(CCCl)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCCl)ccc1C2=O 49881670 ZOTZWUALAZOEAF-UHFFFAOYSA-N 419.264 3.597 50 1 HHGF in-vivo COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/CBr)[nH]c3c2)cc1 586974241 TXBOSIKEPDRGFA-NSCUHMNNSA-N 422.304 3.780 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@H](C)Br)O2 587375888 VVQCREFAAHZYGD-WLRWDXFRSA-N 404.260 3.950 50 1 HHGF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(O)[C@H](Cl)[C@@H]32)O1 2356810899 BCMWNJKZCOJCHP-BNEUJMONSA-N 401.035 3.695 50 1 HHGF C=N[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 2356493729 DXNRKQZSDLZIAZ-RXEAUGIDSA-N 413.002 3.703 50 1 HHGF N[C@H](CCl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587009698 BRIBAACEILDZHH-GFCCVEGCSA-N 418.828 3.621 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc4c(cc1F)NC(=O)CC4)[C@@H](C2)C3=O 587429006 SFCNTGAIWFYEOP-QKKBWIMNSA-N 401.821 3.601 50 1 HHGF COc1cc2nc(-c3cccs3)nc(Nc3ccccc3C(=O)NN)c2cc1OC 31910102 KRYYHTJLEYBHGE-UHFFFAOYSA-N 421.482 3.723 50 1 HHGF CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376998 ZPCSLTUBGDJCES-LJQANCHMSA-N 403.276 3.791 50 1 HHGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1cccc(Cl)c1 98085059 KCBJFGKDUQWZRQ-WSDLNYQXSA-N 422.901 3.711 50 1 HHGF COC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321793 KRVBXOQOAIXSCU-INZKUCGCSA-N 423.234 3.585 50 1 HHGF COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 95808864 FLRUXHIWQFBJND-HZHRSRAPSA-N 413.474 3.536 50 1 HHGF Cc1cc2c(cc1F)[C@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)NCC2 962299375 NIOZZTYFBRJJRJ-ZUOKHONESA-N 422.294 3.770 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cn1nnc2ccccc21 587546809 XVUZCOMVPFOEEH-UGKGYDQZSA-N 421.840 3.776 50 1 HHGF CCOC(=O)C[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674181 UGMPCYNTFWTUER-RFAUZJTJSA-N 423.120 3.666 50 1 HHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 587546327 WBAHVKONDLTQSI-APWZRJJASA-N 400.774 3.724 50 1 HHGF COc1cc2c(cc1OC)[C@@](CCl)(c1ccc3c(c1)CCC(=O)N3)N(C)[C@@H](C)C2 962642722 ZPXUWWSWMNEWCO-LFVRLGFBSA-N 414.933 3.947 50 1 HHGF N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 623239 RFUXDWIKFWWDGX-HSZRJFAPSA-N 416.868 3.751 50 1 HHGF CC(C)CN(Cc1cc(OS(C)(=O)=O)ccc1Cl)C(=O)/C=C/[C@H](C)Cl 103286662 MNMXCBUZRZQBRG-LJLILKBBSA-N 408.347 3.847 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 587845532 NDZABORAMMJQJD-MGNBDDOMSA-N 423.307 3.991 50 1 HHGF CC(C)c1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 38279970 LXZWYGKYMHGWRT-UHFFFAOYSA-N 409.398 3.759 50 1 HHGF Cc1cc2c(cc1O)[C@@](c1ccccc1Cl)([C@@H](C)Br)N[C@H](C(=O)O)C2 963554405 UVKUISNQPFCQGM-DQNAHFDYSA-N 424.722 3.980 50 1 HHGF CCOC(=O)C[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673107 KJRXKSFUKFKCSI-BJOHPYRUSA-N 423.120 3.666 50 1 HHGF C=CCc1cccc(/C=N/NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1O 45299921 OEOTUODTYBEZII-HZHRSRAPSA-N 401.507 3.608 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cncnc2)N1 587673576 OMHXYBQMDFRXNP-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCc3ccccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198856 UTSXLTHYRRDCTJ-BJMRIUMSSA-N 402.535 3.812 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@H]4C[C@@H](I)[C@H]3[C@@H]1CC[C@@H]2O 299848354 NLNYYLUJHDCQJA-NUIBBDHYSA-N 402.316 3.983 50 1 HHGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962906964 RWQCLONHEFGKKE-HTAPYJJXSA-N 418.896 3.892 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2)s1 43123294 YKNQFLHELMKANK-QZTJIDSGSA-N 409.902 3.940 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)CC2=O 587459394 IJSOLLMYIUKPIY-QFIPXVFZSA-N 414.889 3.635 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 587734313 QHJFONCSBWOZMQ-DGIBIBHMSA-N 406.226 3.980 50 1 HHGF Cc1c(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1662657 KOJQRLDHZSNCTP-WMZOPIPTSA-N 402.281 3.833 50 1 HHGF CC1=C2CC[C@](C)(O)[C@H](O)C[C@@H]2[C@](C)([C@@H]2CC[C@@](C)(O)[C@H](Br)C2)C1 2356444088 KFLSWWBZSRPSLX-UDERSWLKSA-N 401.385 3.940 50 1 HHGF CC[C@H]1[C@H]2[C@H]3O[C@@H](C=C=CBr)C[C@H]3O[C@@]23O[C@@H]1C[C@@H]3Br 2356793391 KLIMLEBJXLDCGW-ZGHZMTIQSA-N 406.114 3.511 50 1 HHGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586973375 IZEIRORKHDTGGA-GFCCVEGCSA-N 422.348 3.860 50 1 HHGF CC(=O)C(OO[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O 587107195 PVAJTCNAUWIPLC-DEOSSOPVSA-N 417.417 3.571 50 1 HHGF C[C@H](Br)[C@]1(Cc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962923726 JRGCJMXZNGDALV-BTYIYWSLSA-N 401.348 3.756 50 1 HHGF Cc1cc2c(cc1O)[C@@]1(C[C@H]3CC[C@@]1(CBr)C3(C)C)N[C@H](C(=O)O)C2 963492083 QAIZVJUDGXBKCY-CTNSEHHHSA-N 408.336 3.716 50 1 HHGF COc1cc(O)c(C(=O)N/N=C(\C)c2cc3ccccc3n2C)cc1Br 95561085 HMIICCGUWAUSCK-SRZZPIQSSA-N 416.275 3.809 50 1 HHGF COCCOCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103186128 AQNZLJAWJZBPEX-ZCQAHWFZSA-N 408.413 3.712 50 1 HHGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccccc1Cl 103279148 AJGSAWYBGXWBNR-WSDLNYQXSA-N 422.901 3.711 50 1 HHGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 253638969 FRBMHRPOABKXCU-LLUDDFSJSA-N 422.930 3.891 50 1 HHGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccc(-c2nc3ccccc3s2)cc1 299861699 IQOMWKBAMUTLQH-SSDVNMTOSA-N 405.435 3.844 50 1 HHGF CC(=O)O[C@@H]1C[C@@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 263591120 CLHOQFOFZHJBHD-CYUOVKROSA-N 424.965 3.677 50 3 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 587734315 QHJFONCSBWOZMQ-OVWNDWIMSA-N 406.226 3.980 50 1 HHGF CC(=O)Oc1ccc2c(c1)OC=C(C=O)[C@]21NCCc2c(Cl)cc(Cl)cc21 963121532 MKNKTPSWKGZSMT-FQEVSTJZSA-N 404.249 3.783 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)CC2=O 587460382 IGUILGOFBWHJII-CRAIPNDOSA-N 419.827 3.841 50 1 HHGF BrC[C@@]1(c2ccccc2Br)NCCc2nc3ccccn3c21 962987286 KXHTXTRYVMYHMU-KRWDZBQOSA-N 421.136 3.881 50 1 HHGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC 5550070 FDRIUJFXAJREQP-GFCCVEGCSA-N 415.877 3.759 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@@H](C)Br)[C@@H](C2)C3=O 587414567 NBUZWCZMCNZLLJ-SAUNLDPVSA-N 417.255 3.850 50 1 HHGF CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@H]31)CC2=O 587459260 HGKXLOLOLWWAAS-YADHBBJMSA-N 418.921 3.503 50 1 HHGF C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@@]2(C=O)[C@@H](O)C[C@H]1C 685935822 JNCWBVCCDFJVEI-IDMDFBAPSA-N 402.531 3.958 50 1 HHGF biogenic,in-vitro COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc(O)c(C)c1 963635699 NSMZSZNLXCUGLB-RBZFPXEDSA-N 406.320 3.891 50 1 HHGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(OCC)cc1 100086790 MHPNZYSBHINWGO-PMIVHWTLSA-N 413.499 3.569 50 1 HHGF [C-]#[N+][C@H]1C[C@@H](C(C)(C)O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 261189318 YNGXHJBHHMDMGH-ZLIFDBKOSA-N 401.898 3.779 50 1 HHGF Oc1nc(O)c2ccc([C@H](Br)Cc3ccc(F)c(F)c3F)nc2n1 587368676 VDLGMVVPTAARCW-MRVPVSSYSA-N 400.154 3.532 50 1 HHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587372515 JIBKUCUCJRPPRM-LJQANCHMSA-N 406.276 3.850 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308386 KJAJPXAIACKJOP-ZJHNIPSMSA-N 404.482 3.524 50 1 HHGF CC(C)[C@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587683116 FLGXTXHABLDMGQ-YKJXYISPSA-N 405.739 3.717 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@]31CCN(C(=O)OC(C)(C)C)C[C@@H]1Cl 963039281 UKFMYVHYJXPTSN-JTSKRJEESA-N 417.937 3.833 50 1 HHGF CC1=C(CCCOC(=O)NCCBr)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 45284942 SRBKVEALNMLXEY-IBGZPJMESA-N 424.335 3.575 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCOCC1 587539661 XFGATXDNVYDOCB-PXNSSMCTSA-N 419.271 3.914 50 1 HHGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](Oc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101187054 USELZKKLESYBRF-ZCQNQULTSA-N 404.459 3.972 50 1 HHGF CN(C)C(=O)c1ccc2c(c1)[C@@](CCl)(c1ccc(Br)cc1)NCC2 962929732 WLBVUGNJIZSNIO-LJQANCHMSA-N 407.739 3.779 50 1 HHGF CS/C(N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(N)=O 103222897 CSYJNDWZIDKPFK-PQMNFKMDSA-N 411.464 3.901 50 1 HHGF Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)nc2c1 103282566 JFZNXIRRAMUDMA-GJZGRUSLSA-N 422.341 3.919 50 1 HHGF CN1C(=O)C[C@H]2CN[C@](CBr)(c3c(F)cccc3F)c3cccc1c32 963026027 NDGTZVQLYVUGDY-WLRWDXFRSA-N 407.258 3.657 50 1 HHGF O=C(CSCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N/N=C/c1ccc(Cl)cc1 1857637011 JDUPZJOELBPHJZ-UFWORHAWSA-N 403.851 3.508 50 1 HHGF CO[C@@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 15115468 GYCBSZGIYPNYAB-APPOSYJASA-N 414.498 3.918 50 1 HHGF endogenous,in-man CCOC(=O)[C@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@@H]1c1cccs1 36023277 ZTARWFDZIIJOSM-JKSUJKDBSA-N 402.501 3.583 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(F)nc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473123258 USQWPFFCGZSIBA-RGFASOFISA-N 417.477 3.797 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@]31[C@@H](Br)CCC(=O)C1(C)C 963059459 RFTITRGCVVOZNP-MGPUTAFESA-N 403.320 3.737 50 1 HHGF N#C/C(=C\c1ccccc1)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1ccccc1 13676739 BNODOBHKDQPVMF-LKNRODPVSA-N 412.493 3.603 50 1 HHGF C[C@@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)NCCc2ccc(C(=O)N(C)C)cc21 962933208 SLTUPIMYKLRFCG-QKFKETGDSA-N 421.932 3.629 50 1 HHGF CCOC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323223 QCCHNPBSPRMRAN-VQIMIIECSA-N 423.234 3.587 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587545159 QBHMEYWHMKINSK-DYESRHJHSA-N 414.797 3.868 50 1 HHGF O=C(N/N=C/c1ccc(O)c(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857533641 WAPPNJSSNUUNFO-LSFURLLWSA-N 409.398 3.525 50 1 HHGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 101045466 FRBMHRPOABKXCU-MBPVOVBZSA-N 422.930 3.891 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416854 FQCVYUGBLSVYRB-JGPAKYNOSA-N 413.901 3.644 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccncn2)N1 587672215 FCNGXGNYTNQGLZ-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF O=C(N/N=C/c1cc(F)ccc1O)c1ccc(Br)cc1Br 1857578089 PVUJDJGVXFDXNZ-CNHKJKLMSA-N 416.044 3.820 50 1 HHGF C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(F)cc2)cc1 655150 LTDXOSNUTVRDBL-WGARJPEWSA-N 419.412 3.961 50 3 HHGF Cc1ccc(C2OOC(c3ccc(C(=O)NCCCCCCO)cc3)OO2)cc1 72175345 JSWSQMCNPUHBQI-UHFFFAOYSA-N 401.459 3.885 50 1 HHGF CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@@H]31)CC2=O 587459256 HGKXLOLOLWWAAS-FCHUYYIVSA-N 418.921 3.503 50 1 HHGF CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587499061 QRASCZWFSUGJRW-YLJYHZDGSA-N 422.319 3.895 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)CCC[C@H]2Br 587543284 KAPLNBUTPCNQGK-SIXWZSSISA-N 403.228 3.609 50 1 HHGF COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 95809758 KFQIPIGQHMFBRO-HZHRSRAPSA-N 413.474 3.536 50 1 HHGF CCOC(=O)[C@@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@H]1c1cccs1 4817807 ZTARWFDZIIJOSM-CVEARBPZSA-N 402.501 3.583 50 1 HHGF Oc1ccc2c(c1)[C@](CI)(c1c[nH]c3ccccc13)NCC2 963350200 ABYPUUSLSYUFSB-GOSISDBHSA-N 404.251 3.698 50 1 HHGF CCCCNS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586971813 ZHCCXJZDPZTRPP-CQSZACIVSA-N 418.357 3.502 50 1 HHGF C[C@H](Br)[C@]1(c2ccccc2F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033104 PLVKLPIVMHHILA-MRRFBWAASA-N 403.295 3.906 50 1 HHGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975829 MWPCDDIHPFSRGZ-VFNWGFHPSA-N 419.811 3.553 50 1 HHGF CN(C)C(=O)/C(C#N)=C/c1ccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1 148920991 NWUZJMLZBILNQW-MHWRWJLKSA-N 401.470 3.849 50 1 HHGF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(=O)NN)ccc2[nH]1 586980659 CKVXRRILBJGORY-UHFFFAOYSA-N 410.275 3.695 50 1 HHGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)[C@@H]1CCCC1(C)C 58576444 YPSNZIMULHJLFE-GFCCVEGCSA-N 410.316 3.936 50 1 HHGF CC(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772626694 UCHWLWWHVIGWEF-ZRDIBKRKSA-N 412.453 3.653 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 3915123 OURMJLFLCWODMX-FXTVAMKPSA-N 421.497 3.847 50 1 HHGF Cc1cc2c(cc1O)[C@](c1ccccc1Cl)([C@H](C)Br)N[C@H](C(=O)O)C2 963554409 UVKUISNQPFCQGM-WQFAYQGZSA-N 424.722 3.980 50 1 HHGF CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587499051 QRASCZWFSUGJRW-FXAWDEMLSA-N 422.319 3.895 50 1 HHGF CCCCc1ccc(Nc2nc3c(ncn3COCCBr)c(=O)[nH]2)cc1 1647871 QFVOXZXUCHZUHJ-UHFFFAOYSA-N 420.311 3.575 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2Br)N1 587687176 XVXLMJWXXSQKAW-UKXDHYTESA-N 405.105 3.834 50 1 HHGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@H]1C#N 169694599 FZVDYIZFWTVBIT-SIKLNZKXSA-N 402.502 3.923 50 1 HHGF CC(C)(C)[C@@]1(CNC(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498976 KSBIGUWDGMMGKO-FQEVSTJZSA-N 408.336 3.827 50 1 HHGF CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587499054 QRASCZWFSUGJRW-PXNSSMCTSA-N 422.319 3.895 50 1 HHGF COC1=CN(C)C(CCl)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587684084 KGZLTBSMWAHCPM-BMLIUANNSA-N 401.707 3.874 50 1 HHGF CN1C=C(OCc2ccccc2)[C@]2(C=C1CCl)NCCc1c(C(=O)O)cccc12 963135045 VYQQTXZGEOWAJS-HSZRJFAPSA-N 410.901 3.852 50 1 HHGF CCOC(=O)/C(C#N)=C1\c2ccccc2-c2nc3c(nc21)c(C)nn3-c1ccccc1 95589463 QWNSDJLCADYPPW-VHEBQXMUSA-N 407.433 3.993 50 1 HHGF CC(C)[C@@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587683018 FLGXTXHABLDMGQ-FDOKIQAASA-N 405.739 3.717 50 1 HHGF O=C(c1cccnc1Nc1nc2ccccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103282394 GWEWVMKJIOZRTH-UONOGXRCSA-N 408.314 3.610 50 1 HHGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCCC1 28346178 QQXYSVTZBFVVQL-UHFFFAOYSA-N 414.556 3.712 50 1 HHGF C/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1)c1ccccc1 103292532 SABCVGGNXAOBSV-MFKUBSTISA-N 401.422 3.791 50 1 HHGF CCOC(=O)C[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674180 UGMPCYNTFWTUER-PSLIRLAXSA-N 423.120 3.666 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)O2 587386038 WZFIJIPWROKFGF-LPHOPBHVSA-N 422.250 3.815 50 1 HHGF COc1ccc2oc(S(=O)(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1 1859583 FYERFCKDMKWREM-LBPRGKRZSA-N 422.846 3.881 50 1 HHGF CC(C)CN(Cc1ccc(Cl)cc1OS(C)(=O)=O)C(=O)/C=C/[C@@H](C)Cl 103286562 NJIWLJGPQPNIQD-OQHXTRMZSA-N 408.347 3.847 50 1 HHGF O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 40556632 ODKMGFOEGFPXBX-UHFFFAOYSA-N 400.843 3.863 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587423812 WGIXLIYBDWJUKR-CMPZQBNXSA-N 407.894 3.820 50 1 HHGF Cc1c(O)ccc2c1[C@@](CCl)(c1ccc(Br)cc1)N[C@H](C(=O)O)C2 963474483 VAXPVVBIAAMFSP-KBXCAEBGSA-N 410.695 3.544 50 1 HHGF CC[C@@H]1O[C@@]2(O[C@@H]3C[C@@H](C=C=CBr)O[C@@H]3[C@H]2Br)[C@@H]2C[C@H]12 238759132 ZAHUKZPZPAOXTK-LQMXZCMUSA-N 406.114 3.511 50 1 HHGF Cc1c(C(=O)NN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1C[C@H](C)O2 103203117 BBLIJZGYFJVKEC-ZDUSSCGKSA-N 411.458 3.812 50 1 HHGF COc1ccccc1S/C(N)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1OC 34802607 KANGDOULDLFYOZ-IWGRKNQJSA-N 410.524 3.976 50 1 HHGF CCC[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95591434 QZRMWUXMDSILAK-MFKMUULPSA-N 401.891 3.746 50 1 HHGF COC(=O)c1cccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587414959 PYPQGKDHFHYROY-QRWLVFNGSA-N 417.255 3.520 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc(O)c(C)c1 963635701 NSMZSZNLXCUGLB-XCLFUZPHSA-N 406.320 3.891 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1ccc(N2CCOC2=O)cc1 963257154 IPNWEEYZFUEEAJ-FQEVSTJZSA-N 407.297 3.933 50 1 HHGF CC(C)(C)OC(=O)NN(CC[C@H]1C=CCC1)c1nc(C#N)ncc1Br 58541882 ARQRTKIUWBKWAE-LBPRGKRZSA-N 408.300 3.713 50 1 HHGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O 95809813 HIXRYQNYLVOSJR-LFVJCYFKSA-N 412.486 3.935 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 100773388 BGKXQRPQNIXIMH-NYEBHZIQSA-N 414.498 3.567 50 1 HHGF endogenous,in-man CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)NC)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356861572 UKMWJMVDJGVLDO-UBVIZFPZSA-N 423.667 3.559 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587686145 SRIRQAGLNDTDKV-AYVTZFPOSA-N 402.651 3.841 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587681709 ABUHNBRBRHKBLS-MLCYQJTMSA-N 424.701 3.536 50 1 HHGF NC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541687 CYSPDICWXMZJIP-PGRDOPGGSA-N 424.840 3.979 50 1 HHGF NC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324869 ANQVUBVSIPSNBQ-RXVVDRJESA-N 415.804 3.716 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc(F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308372 MTXFHDHARXCREC-GMFUXECHSA-N 402.466 3.854 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@H](OO)C(=C)CC[C@@H]2OC(C)=O 2356845580 OGKCGMBMXCCFPD-OVMLJTRSSA-N 408.491 3.722 50 1 HHGF Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689343 RURSMQDSUBZGHH-RBHXEPJQSA-N 415.690 3.605 50 1 HHGF COc1cc(C=NNC(=O)c2sc(-c3ccccc3)cc2N)cc(OC)c1OC 958021758 GHPMMFUZZWPMTE-UHFFFAOYSA-N 411.483 3.787 50 1 HHGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccncc1F)N(C)[C@H](C)C2 962631076 QGRVAQAOBMSFCM-CWTRNNRKSA-N 409.299 3.753 50 1 HHGF CC1(C)CC(=O)[C@H](Cl)[C@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962659147 FQTIOHLNPDOTJL-WTOYTKOKSA-N 400.906 3.525 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1cccc(C(=O)O)c1 963271911 XHGYRZFMOKLFEG-SFHVURJKSA-N 410.695 3.831 50 1 HHGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC[C@@H](C)[C@H]2OC(C)=O 2356788064 BVTHNPARSMPDCF-IMXKQLRVSA-N 408.491 3.578 50 1 HHGF CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103210800 RCWZWGGUJAKELA-XMGGNUPJSA-N 411.464 3.905 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(CCl)nc2c1 587888943 SRMUBYQEBHTLMR-UHFFFAOYSA-N 407.688 3.714 50 1 HHGF C[C@H](Br)C1([C@H](C)Br)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017295 BNHMJUNMDRZPOK-GARJFASQSA-N 416.157 3.502 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(CC[C@@H]3CCCCO3)c3cccc1c32 963027336 NVKRIQCORFYYGY-QEEYODRMSA-N 407.352 3.679 50 1 HHGF COc1cc(C[C@@H](C)Oc2c(OC)cc(C=CC=O)cc2OC)cc(OC)c1OC 2356531988 DJISBQYYAQAYBP-OAHLLOKOSA-N 416.470 3.952 50 1 HHGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2s1 653780796 UWSKUJXGOQEDLO-AWQFTUOYSA-N 418.862 3.657 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 85635039 ISKWRTCZWOXOOF-UHNNFPDLSA-N 414.498 3.567 50 1 HHGF in-man CCN(CC)c1ccc2c([C@@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@@H]4C)cc(=O)oc2c1 95560265 QJLRINQORPQZLU-UONOGXRCSA-N 419.481 3.700 50 1 HHGF O=C(CNc1ccccc1Br)N/N=C/c1c(Cl)cncc1Cl 201288663 OFBZPYIMVXAJEK-DENHBWNVSA-N 402.079 3.713 50 1 HHGF O=C1CCc2cc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3cc2N1 587009379 CILODBPQRWYMRU-IBGZPJMESA-N 421.888 3.568 50 1 HHGF Cc1cc(C)cc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)c1 73140838 KRYUWQYBNAPGMN-UHFFFAOYSA-N 418.375 3.630 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2CCOC2)N1 587672733 HNLYEXBTRYIIBN-OSQNNJELSA-N 407.121 3.749 50 1 HHGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1F 1857574580 RAFCARAEYQPGRJ-UHFFFAOYSA-N 412.364 3.621 50 1 HHGF COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C\C=O)cc2OC)cc(OC)c1OC 14829808 DJISBQYYAQAYBP-LZNQSLFOSA-N 416.470 3.952 50 1 HHGF C[C@H]1C[C@@H](N(C)C(=O)C[C@@H](C)C(Cl)Cl)C(=O)N2[C@H](c3nccs3)CC[C@@H]12 2356800893 RFFLZSIXQYFHRG-ZUWCUPBKSA-N 418.390 3.872 50 1 HHGF CC(C)[C@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587683141 FSKJRWDXLUKIBP-GPNNCHTKSA-N 405.739 3.717 50 1 HHGF CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95808863 WNUQRCWCCGKLJL-JJIBRWJFSA-N 410.518 3.888 50 1 HHGF NC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615182 WVYVKTRZSQTHMJ-JXFKEZNVSA-N 415.854 3.649 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC)c1F)[C@@H](C2)C3=O 587426418 NJQLEJHXXCKNKU-DJJJIMSYSA-N 407.235 3.881 50 1 HHGF CCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(=O)c2ccc(C)nc21 103214054 TXLDWCXJQLFNCU-LSFURLLWSA-N 403.269 3.796 50 1 HHGF N#C[C@@H](C(=O)NCc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496490 DHAXFVXQNUSCFW-GBXCKJPGSA-N 422.912 3.964 50 1 HHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCCl)c2c1 587619093 ZIYABFXNDWMZQY-UHFFFAOYSA-N 423.878 3.975 50 1 HHGF O=C(Cc1nc(-c2ccccc2)no1)NNC(=S)NCCCCC1CCCCC1 96285263 CFGDYAORBCATAR-UHFFFAOYSA-N 415.563 3.525 50 1 HHGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1ccc(O)c(C(N)=O)c1 963221306 ABUONSVJOBOWPV-SZNDQCEHSA-N 417.347 3.786 50 1 HHGF Cc1ccc(NC(=O)CNC2=C(C#N)[C@H]3CCCN3C(=S)N2c2ccccc2)cc1 96935422 OQVKDXGYSOUGQL-HXUWFJFHSA-N 417.538 3.528 50 1 HHGF CCOC(=O)C[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673109 KJRXKSFUKFKCSI-RFAUZJTJSA-N 423.120 3.666 50 1 HHGF CCN(CC)S(=O)(=O)c1ccc(C(O)=C(C#N)c2nc3ccccc3n2C)cc1 1857622307 PTDSKEPUQZDKMD-UHFFFAOYSA-N 410.499 3.554 50 1 HHGF O=C(NNc1nncc2ccccc12)[C@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1 49070098 PTGBCDHADIQFTG-SJORKVTESA-N 402.376 3.818 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C2)C3=O 587418734 AVFRGDUEEQYDHK-XQAUZQBESA-N 409.910 3.970 50 1 HHGF C=C([C@H]1CC[C@@](C)(O)[C@@H](Br)C1)[C@H]1[C@H](O)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C 653857959 OERZXAKPKLPTJX-BZTAKYQYSA-N 401.385 3.651 50 1 HHGF COc1ccc(Cl)cc1C#Cc1cccc(OCc2cccc(C(=O)NN)c2)c1 587904865 APSLWDIPQDZZCH-UHFFFAOYSA-N 406.869 3.931 50 1 HHGF N#Cc1nc(Cl)cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009989 YQBGEOIPMKTETD-AWEZNQCLSA-N 413.268 3.603 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1CCOC1 587537791 KFJLUTMYGCZBLJ-UVIMBBFXSA-N 405.244 3.524 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1C[C@@H](I)[C@@H]2O 253634434 NPYAZDAEDMDKIX-GPJBEXFUSA-N 400.300 3.903 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)CCC[C@@H]2Br 587543282 KAPLNBUTPCNQGK-QOKNQOGYSA-N 403.228 3.609 50 1 HHGF O=C(N/N=C\c1ccc(O)cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53295289 BSNNHQQSXULCOW-UUYOSTAYSA-N 403.398 3.663 50 1 HHGF CNC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 64664171 VNBARLAVIJEIDT-ZLNRFVROSA-N 404.450 3.629 50 1 HHGF CC(C)(C(=O)NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73295819 VFBQJDYMKKWUQJ-QLKAYGNNSA-N 402.903 3.745 50 1 HHGF C[C@H](C(=O)NNC(=O)NOCc1ccccc1)c1cccc(Cc2ccccc2)c1 84604332 OJRNLUNBBJSZMR-SFHVURJKSA-N 403.482 3.843 50 1 HHGF O=C(O)CCc1ccccc1C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 4634228 OURMJLFLCWODMX-WBKXNKNWSA-N 421.497 3.847 50 1 HHGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@@]1(C)OC(C)=O 2356542694 BFNUDUOPAMBJLW-XHIHJMKYSA-N 408.491 3.770 50 1 HHGF CNS(=O)(=O)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586954812 PJMGVDDDOKEIPM-UHFFFAOYSA-N 420.429 3.864 50 1 HHGF CCOC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98085636 HWMPXFDQSNIGMT-QTXGBWPKSA-N 413.424 3.739 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587412952 KOOCTUZIFCRSDX-KSSFIOAISA-N 404.216 3.641 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)ccn1 587874544 AYGSVYMLXHMURK-UHFFFAOYSA-N 412.114 3.994 50 1 HHGF COc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1 1857535704 COOIDHBGDGHQPB-UHFFFAOYSA-N 422.510 3.706 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 618008843 LPSLTXQXLLFPBE-UHFFFAOYSA-N 413.609 3.731 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccncn2)N1 587672217 FCNGXGNYTNQGLZ-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF N#C/C(=C(/N)Sc1ccc(N)cc1N)c1cccc([C@@H](O)c2ccc(C#N)cc2)c1 38145384 PXQHOEYBQIQFFE-PPCHASGVSA-N 413.506 3.748 50 1 HHGF CC1=C2CC[C@](C)(O)[C@H](O)C[C@@H]2[C@](C)([C@@H]2CC[C@](C)(O)[C@@H](Br)C2)C1 2356444087 KFLSWWBZSRPSLX-PKMNTAHESA-N 401.385 3.940 50 1 HHGF O=C1c2ccc(O)cc2O[C@](/C=C/N2CCOCC2)(CCl)[C@H]1c1ccc(F)cc1 587330042 ZZBQJNCGOXERJE-GYLJRODDSA-N 417.864 3.714 50 1 HHGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 962942907 CSXOJXILUHZMAS-NPMXOYFQSA-N 408.933 3.765 50 1 HHGF COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2sccc2C)cc1 4469530 MGXIWSRXKAFNPA-RWGHZESESA-N 419.506 3.986 50 1 HHGF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(B(O)O)ccc1OCc1ccccc1 963241877 OFOSBOBFJDTNRR-NIYFSFCBSA-N 415.342 3.691 50 1 HHGF CCOC(=O)c1ccccc1SSc1nc(-c2cccnc2)n(C(C)=O)n1 1857751975 GCHFWTVAESVICZ-UHFFFAOYSA-N 400.485 3.976 50 1 HHGF CC[C@@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@@H](Cl)[C@@]1(C)OC 2356641526 STJJUUHNLFNKIU-AAITYVNBSA-N 422.946 3.609 50 1 HHGF O=C(CSc1ncccn1)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 103238664 OJRVDUNSGRGCKK-NJNXFGOHSA-N 419.535 3.720 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cncnc2)N1 587673571 OMHXYBQMDFRXNP-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)c4ccsc4CCN3C(N)=O)cc21 962719299 WEHLHBPGZODEKL-FQEVSTJZSA-N 403.935 3.787 50 1 HHGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)c4ccsc4CCN3C(N)=O)cc21 962719304 WEHLHBPGZODEKL-HXUWFJFHSA-N 403.935 3.787 50 1 HHGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43307833 ZYZHUTWVVKBICK-DLYMEFGGSA-N 410.507 3.889 50 1 HHGF CC1(C)CC(N2CCCO[P@]2(=O)N(CCCl)CCCl)CC(C)(C)N1[O] 101969890 ULWHZDRBRAFXCX-RUZDIDTESA-N 415.322 3.964 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@@H](OO)C(=C)CC[C@@H]2OC(C)=O 2356845582 OGKCGMBMXCCFPD-VPQCCYDFSA-N 408.491 3.722 50 1 HHGF COC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537118 ATMHOWNJJIWIKI-KXBFYZLASA-N 407.260 3.913 50 1 HHGF CC(C)CN(Cc1ccc(Cl)c(OS(C)(=O)=O)c1)C(=O)/C=C/[C@H](C)Cl 103286577 GRDYIWNBIJBDRP-LJLILKBBSA-N 408.347 3.847 50 1 HHGF COc1ccc2c(c1)C[C@@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418597 UGVXIWCDDSQPIZ-WRWLIDTKSA-N 401.256 3.666 50 1 HHGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(=O)CBr)(C(C)(C)C)N1 962944239 HKSWVGWAJHOCES-RBZFPXEDSA-N 406.368 3.845 50 1 HHGF CCOC(=O)N(c1ccccc1)N(CC)C(=O)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 5807503 QZKLOSSYZKNXJH-RCCKNPSSSA-N 413.434 3.809 50 1 HHGF C[C@@H](Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=C=O 587879239 MWCYEDLUZGRURB-HNNXBMFYSA-N 401.293 3.971 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587682138 BHSYHHKMMMALIY-XTZNXHDOSA-N 424.701 3.536 50 1 HHGF COCCOc1nc(-c2ccccc2Cl)n(-c2ccc(NC(=O)CCl)cc2)n1 1857637181 JSAKJPHRXZJZEP-UHFFFAOYSA-N 421.284 3.790 50 1 HHGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496496 DHAXFVXQNUSCFW-YKSBVNFPSA-N 422.912 3.964 50 1 HHGF CCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 35983893 HIIHXFJANMZVSX-UHFFFAOYSA-N 409.398 3.588 50 1 HHGF COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333371 VEXJFXWURIEQCV-SIXWZSSISA-N 414.763 3.675 50 1 HHGF CC[C@@]12Oc3c(OC)cccc3[C@H](O)[N@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857566426 RCYYEJFATFDAHS-OJJQZRKESA-N 421.433 3.841 50 1 HHGF COc1ccc(-c2csc(/C(C#N)=C/[c-]3ccc(=O)c([N+](=O)[O-])c3)n2)cc1OC 169688614 YHFQVRXQLQCSDD-VGOFMYFVSA-N 408.415 3.879 50 1 HHGF CC(=O)OCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O 195515092 LSWSNIUFJLRSBD-QFIPXVFZSA-N 414.618 3.656 50 1 HHGF COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccccc2)O4)cc1OC 96934044 JZCAEGRXFGPXEW-SKWRMQMOSA-N 410.422 3.807 50 1 HHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2N1 587498829 PDIKSGPSRTXXKV-PKTZIBPZSA-N 414.933 3.724 50 1 HHGF O=C(O)Cc1ccc(CC[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 253770999 HFPJUWRQPGXQQX-HXUTWOOFSA-N 421.497 3.847 50 1 HHGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962906974 RWQCLONHEFGKKE-JTSKRJEESA-N 418.896 3.892 50 1 HHGF CC(C)[C@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587683039 FLGXTXHABLDMGQ-GPNNCHTKSA-N 405.739 3.717 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)cc1 587886568 TUIWIGZBZCXLLF-UHFFFAOYSA-N 409.700 3.881 50 1 HHGF CC(C)(C)OC(=O)NN(CCc1ccccc1)c1nc(C#N)ncc1Br 58581673 MZROMUYPZQQNSJ-UHFFFAOYSA-N 418.295 3.600 50 1 HHGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2OC(=O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 64453384 OYNBFQUNYKRXQH-FYQPDDGJSA-N 402.487 3.667 50 1 HHGF CO[P@@](=O)(c1cc(C)cc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 66066638 CGBYTKOSZYQOPV-CCEZBSFNSA-N 413.801 3.641 50 1 HHGF investigational Cc1ccccc1C[n+]1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 96284145 OBOSSYHBYFNEOJ-JOCHJYFZSA-N 422.464 3.655 50 1 HHGF O=C(O)Cc1cccc(CC[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 3914905 LULNMGLDEMLBSW-FXTVAMKPSA-N 421.497 3.847 50 1 HHGF CCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(=O)N(Cc2ccc(OC)cc2)C1 653710302 QUMHWSNHJUUQGF-UHFFFAOYSA-N 405.567 3.876 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(F)c1OC)[C@@H](C2)C3=O 587424785 UWTDTASBSWICGH-DJJJIMSYSA-N 407.235 3.881 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnccn2)N1 587673568 OHIBRCPYWVNECR-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF N#C/C(=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O 587883341 HLKDELKSZMOFGD-YVLHZVERSA-N 413.260 3.695 50 1 HHGF NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 473135099 KYZAPWFNINYHOC-RTWAWAEBSA-N 420.900 3.508 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CC[C@H]2OC(C)=O 2356512797 FAHUDUVWJUBJRS-HNJSAKBSSA-N 408.491 3.722 50 1 HHGF Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)sc2c1 103282575 FZGYTBGHMVFHMD-GJZGRUSLSA-N 422.341 3.919 50 1 HHGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1 98085058 ZYMBZJQMTLANEO-WSDLNYQXSA-N 422.901 3.711 50 1 HHGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375477 SUKRWVUNYHKNOY-XLIONFOSSA-N 418.287 3.985 50 1 HHGF ClCCCc1cn(-c2cc(-n3cc(CCCCl)nn3)c3ccccc3n2)nn1 84635900 SKVDCVWRCSWIKS-UHFFFAOYSA-N 416.316 3.739 50 1 HHGF N#C/C(=C\c1ccc(Cl)cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O 98082583 OLJHWGVVTSEEME-UKTHLTGXSA-N 405.767 3.708 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccc(OC(F)(F)C(F)F)cc1 618009465 YQPGEYDOFFXJPH-UHFFFAOYSA-N 400.463 3.596 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587412951 KOOCTUZIFCRSDX-KBXCAEBGSA-N 404.216 3.641 50 1 HHGF CCN(CC)C(=S)S[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1C 5807559 NWUUTAVBTIUBPX-XUSGNXJCSA-N 422.384 3.912 50 1 HHGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccccc1)C(=O)c1ccccc1C2=O 73198338 LYRMMEAUYDLNLB-UHFFFAOYSA-N 418.836 3.892 50 1 HHGF Cc1cc(-c2nc3cc(C(=O)NN)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145525 YCUIDNOTYWODLS-UHFFFAOYSA-N 404.401 3.646 50 1 HHGF Cc1c(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1662658 KOJQRLDHZSNCTP-SJLPKXTDSA-N 402.281 3.833 50 1 HHGF COC(=O)CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371487 FVEZBYXVKAXYCQ-OAQYLSRUSA-N 404.894 3.658 50 1 HHGF C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129868 MRDRNJIZDLUVQC-YFKPBYRVSA-N 404.755 3.501 50 1 HHGF C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)Cl)C(Cl)Cl 140459963 KSLNDMUDKLQWJA-LOKLDPHHSA-N 407.165 3.771 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccncn2)N1 587672216 FCNGXGNYTNQGLZ-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF O=C(CCl)Nc1ccc2c(c1NC(=O)CCCCl)C(=O)c1ccccc1C2=O 82152131 OJPHGWRVXOKUKB-UHFFFAOYSA-N 419.264 3.597 50 1 HHGF COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418595 UGVXIWCDDSQPIZ-SYNHAJSKSA-N 401.256 3.666 50 1 HHGF CCOCCOC(=O)/C(C#N)=C(\NCc1coc(-c2cccc(Cl)c2)n1)SC 103200514 VHJQKKMNLNBQIO-FBMGVBCBSA-N 421.906 3.762 50 1 HHGF O=C(c1cccnc1Nc1nc2ccccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103282398 GWEWVMKJIOZRTH-ZIAGYGMSSA-N 408.314 3.610 50 1 HHGF CN(Cc1ccc(F)cc1)C(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147601507 BSKFUDUPDZVHNL-LNKIKWGQSA-N 400.475 3.573 50 1 HHGF COc1cc(C)ccc1[C@@]1(CBr)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963035679 SPRDTLZDRMPIFM-LHSJRXKWSA-N 415.331 3.695 50 1 HHGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl)c1ccncc1 1772588784 MHWSOGNFTAEWPC-GJZGRUSLSA-N 421.671 3.772 50 1 HHGF O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2Br)[C@H]1c1ccc(F)cc1 587322470 HFKDMICMPJZZRL-AOIWGVFYSA-N 407.235 3.813 50 1 HHGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)CO 2356384542 UGXXUYXGMCGXKD-LIGLGGLYSA-N 404.620 3.725 50 1 HHGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417924 QOHBNIMZLWEGSC-ZWTFIKMHSA-N 403.862 3.697 50 1 HHGF CC1(C)CC(=O)[C@H](Cl)[C@@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962659136 FQTIOHLNPDOTJL-BULFRSBZSA-N 400.906 3.525 50 1 HHGF O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cncc(Br)c1 15979587 WZTANKODANEIRR-JMIUGGIZSA-N 415.203 3.776 50 1 HHGF CC(C)c1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 473120676 PALRNXCTMIBLMQ-CVKSISIWSA-N 416.481 3.986 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 587846705 QTODCJQILBXJPN-XTZNXHDOSA-N 423.307 3.991 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 85635068 GYCBSZGIYPNYAB-GEOHBPFBSA-N 414.498 3.918 50 1 HHGF in-man C[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473088456 OBAQQFHITKAXNU-NSHDSACASA-N 408.281 3.714 50 1 HHGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587414872 XYTOESOHXFRATR-QRWLVFNGSA-N 417.255 3.520 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)O)co2)N1 587684567 LBKWUIJVSQGWKB-ZKANADHPSA-N 402.647 3.896 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)on1 587877215 YNIQHPRTWLHSPS-UHFFFAOYSA-N 402.075 3.587 50 1 HHGF O=C(O)Cc1ccc(CC[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)cc1 195283046 HFPJUWRQPGXQQX-QPNWJRHXSA-N 421.497 3.847 50 1 HHGF CC[C@@H]1[C@](O)(CC)C=C(C=O)[C@@H]2[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@@]12C 2356768764 VJYUBMLOVYCXRP-XAZGASFZSA-N 402.487 3.567 50 1 HHGF CO[C@H]1[C@H]2C[C@@H](C(C)C)[C@]3(CC[C@]4(C)[C@@H](Br)C[C@H](O)[C@@](C)(O)[C@H]4[C@H]13)C2 140631145 LOFZMDUDIMHGQG-SPDIBVSXSA-N 415.412 3.995 50 1 HHGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008639 PYJKZNUXAPSMNL-NSHDSACASA-N 400.287 3.891 50 1 HHGF CCOC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669291 CNGZSXWOTDBFEH-IQMYEBEASA-N 423.120 3.664 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1cccc(N(C)C)c1 963630055 BIGKSZFEBYSVQE-LHSJRXKWSA-N 419.363 3.943 50 1 HHGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@@H](O)CC(C)=CCC=C(C=O)[C@H]1COC(C)=O)OC(C)=O 2356793845 HOVZFWJLMRWNLW-DHMZULSFSA-N 420.546 3.932 50 1 HHGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 101413355 FRBMHRPOABKXCU-RCOXNQKVSA-N 422.930 3.891 50 1 HHGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 2356818613 DURSZWYIMZPXJS-KIPTXZGASA-N 423.667 3.559 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@@H]4C[C@@H](I)[C@H]3[C@@H]1CC[C@H]2O 299848352 NLNYYLUJHDCQJA-JSPVAIPJSA-N 402.316 3.983 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@H]32)c(O)c1 85635140 BGKXQRPQNIXIMH-HOCBYXPJSA-N 414.498 3.567 50 1 HHGF in-man Cc1cc(C)c2c(c1)OC=C(C=O)[C@@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975826 MWPCDDIHPFSRGZ-QVKFZJNVSA-N 419.811 3.553 50 1 HHGF Cc1cccc(Nc2cc(CN(CCCl)CCCl)nc3c(C#N)cnn23)c1 1772645627 XRHBQGAKTBIZAH-UHFFFAOYSA-N 403.317 3.933 50 1 HHGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 43524163 FRBMHRPOABKXCU-LRGNLBRXSA-N 422.930 3.891 50 1 HHGF N#Cc1cnn2c(Nc3ccc(F)cc3)cc(CN(CCCl)CCCl)nc12 1772604858 HOOZXJOXKMMCJD-UHFFFAOYSA-N 407.280 3.763 50 1 HHGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(C(=O)NC2CCCC2)c1 1857539430 INSFEQBMVWFFLC-XIEYBQDHSA-N 411.889 3.798 50 1 HHGF COc1ccc2c(c1)CC[C@@H](Br)[C@@]21NCCc2c1c(C(C)C)nn2C 962908071 KFKUPHMJUQUBDR-XLIONFOSSA-N 404.352 3.651 50 1 HHGF O=C(N/N=C/c1cc(F)ccc1O)c1cc(Br)ccc1Br 1857588481 WUKPXVXGXDVUSR-CNHKJKLMSA-N 416.044 3.820 50 1 HHGF O=C(N/N=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12 1857749260 CFEGPFMUJDPXJB-NUGSKGIGSA-N 409.243 3.745 50 1 HHGF O=C1N(Cc2ccccc2)C2=C[C@@H](Cl)C=C2S(=O)(=O)N1Cc1ccccc1 103274839 SHYSIXGITXURKI-QGZVFWFLSA-N 400.887 3.843 50 1 HHGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3nccs3)CC[C@@H]12 71329527 GWHGXWDIVHMYDN-GKVQRAMASA-N 413.502 3.915 50 1 HHGF C[C@@H](Br)[C@@]1(Cc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962923727 JRGCJMXZNGDALV-QVKFZJNVSA-N 401.348 3.756 50 1 HHGF COc1ccc([C@H]2O[C@]34C[C@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934058 MVHDSMPUVNIQOV-PRTQVNTJSA-N 410.422 3.807 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC)c1F)[C@@H](C2)C3=O 587426419 NJQLEJHXXCKNKU-ORAYPTAESA-N 407.235 3.881 50 1 HHGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2cccs2)c1 1857621178 COUZMLBYEUKPLX-UHFFFAOYSA-N 410.879 3.831 50 1 HHGF C[N+](C)(C)CCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 26255025 OXDSDRHMZVRNQB-UHFFFAOYSA-O 403.418 3.506 50 1 HHGF CC(=NNC(=O)c1ccccc1O)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356874136 YTASUMSROJHDKO-UHFFFAOYSA-N 413.433 3.556 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)CC2=O 587462278 XCJOPRSVKBALMG-NRFANRHFSA-N 414.893 3.970 50 1 HHGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C(=C(C)C=CC=O)C(=O)C[C@H]32)[C@]1(C)C(=O)O 2356417262 WHGWJEWDUBCQJM-XRSYWRCQSA-N 416.514 3.886 50 1 HHGF COC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417921 QOHBNIMZLWEGSC-QUSSIACISA-N 403.862 3.697 50 1 HHGF NNC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068224 MJZSNYIJRDOTHQ-UHFFFAOYSA-N 418.844 3.933 50 1 HHGF C[C@@H](SCc1ccccc1)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 13152018 HEBNUOIJBPJNTR-XGCXUPMPSA-N 421.316 3.950 50 1 HHGF O=CC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]12)C3 40836077 VGYIUIBYSYNRNZ-RBBFZAHSSA-N 410.602 3.868 50 1 HHGF C=C(C)[C@H]1CC[C@](C)(O)[C@@H](O)[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 139465619 MKFNGLHIEAHRCD-PHJNVHRLSA-N 401.385 3.962 50 1 HHGF C=C(C)[C@@]1(OO)C[C@H]2[C@](C)(OC(C)=O)[C@H](OC(=O)/C(C)=C\C)CC[C@]2(C)CC1=O 238736498 IFEBICCBZIPPDX-VANZNUIJSA-N 408.491 3.770 50 1 HHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587376899 YMKUIXYPLZRGQW-GOSISDBHSA-N 421.247 3.750 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)CCl 587878931 CZAXYJKEVNOARI-UHFFFAOYSA-N 409.700 3.881 50 1 HHGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N 82053312 TWCWLBLDMMEMAG-CYBMUJFWSA-N 410.720 3.569 50 1 HHGF O=[N+]([O-])c1cncn1CCN(CCBr)Cc1ccc(Cl)c(Cl)c1 96926836 RZTPQNLYOBSIGI-UHFFFAOYSA-N 422.110 3.995 50 1 HHGF Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C\c3ccc4c(c3)OCO4)c2)c1 61970984 VPRBPJLEYBNZRZ-CFRMEGHHSA-N 401.422 3.740 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)Cc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 205502011 PBLOWEXHKMBUGD-PKODZQCBSA-N 402.487 3.980 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415988 ZRFUUTHOVVKLQW-UVFQYZLESA-N 417.255 3.576 50 1 HHGF COC(=O)CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371483 FVEZBYXVKAXYCQ-NRFANRHFSA-N 404.894 3.658 50 1 HHGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 2356475758 OZVULSZVQZGKTL-RXEAUGIDSA-N 401.035 3.695 50 1 HHGF Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccc(O)c(O)c4)c3oc2c1C 103299320 VCZIYRXLRMBBJD-BRJLIKDPSA-N 416.433 3.667 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 85635043 ISKWRTCZWOXOOF-UGEQGYOESA-N 414.498 3.567 50 1 HHGF in-man COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008637 PYJKZNUXAPSMNL-LLVKDONJSA-N 400.287 3.891 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)[C@H](C)Cl)(c1ccccc1)CC2=O 587459265 NQKNBOSRWQTUQJ-FPTDNZKUSA-N 401.890 3.949 50 1 HHGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(C[C@@H](O)CN(C)C)c2ccccc12 95593458 HRFWBDGUUMUKRE-QDUHJBTASA-N 424.589 3.947 50 1 HHGF NNC(=O)CCCCCCCCCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652110 LFGAVGBATPTFDR-UHFFFAOYSA-N 406.914 3.581 50 1 HHGF O=C(NNc1nncc2ccccc12)[C@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1 49070103 PTGBCDHADIQFTG-IRXDYDNUSA-N 402.376 3.818 50 1 HHGF O=C(O)Cc1cccc(CC[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652170 LULNMGLDEMLBSW-ZPXIVWIBSA-N 421.497 3.847 50 1 HHGF COC1=CN(C)C(CCl)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587686421 VBDLWGGMLVDFKC-QGHHPUGFSA-N 401.707 3.874 50 1 HHGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)NC)O1 2356861570 UKMWJMVDJGVLDO-KIPTXZGASA-N 423.667 3.559 50 1 HHGF O=C1c2cccc(O)c2C(=O)c2c(O)cc(C(Br)Br)cc21 29338629 RKLFQWANISYQAQ-UHFFFAOYSA-N 412.033 3.662 50 1 HHGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CBr)c2c1 587649143 RDXKPIVDVGGKKJ-UHFFFAOYSA-N 407.289 3.572 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@@H]2Br 587679581 GKQWVUYHGSDTDN-ZBVHDKTDSA-N 405.105 3.834 50 1 HHGF NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 473135100 KYZAPWFNINYHOC-SFTDATJTSA-N 420.900 3.508 50 1 HHGF CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587414538 WFLNUJBMAPWISH-JSNMRZPZSA-N 423.303 3.700 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 100652158 OURMJLFLCWODMX-WJMRMORBSA-N 421.497 3.847 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1(C(=O)OCC)CC1)CC2=O 587456481 PEWDKSPFHLOUNE-IBGZPJMESA-N 411.292 3.787 50 1 HHGF CC(C)(C)C1=CC(Br)=C/C(=C\NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 13126063 XDAWXFMHVAFAFL-ZRDIBKRKSA-N 420.263 3.547 50 3 HHGF CC1=C(C(=O)NCc2ccc(F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784272 WFDNWBKRUQMUJM-CTBOKNSISA-N 417.477 3.962 50 1 HHGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587419815 ZRRHQUAUFCQVQN-SZNDQCEHSA-N 403.862 3.699 50 1 HHGF COc1cc2c(cc1OC)[C@](CCl)(c1ccc3c(c1)CCC(=O)N3)N(C)[C@@H](C)C2 962642725 ZPXUWWSWMNEWCO-PSLXWICFSA-N 414.933 3.947 50 1 HHGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43328123 ZYZHUTWVVKBICK-XOKNMBNRSA-N 410.507 3.889 50 1 HHGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3nccs3)CC[C@H]12 71329528 GWHGXWDIVHMYDN-PUZWTLIVSA-N 413.502 3.915 50 1 HHGF COc1cc(C(=O)NCCCSSCCN(C)C)c(OC)c2ccccc12 618012521 MBDRTALVKKOENB-UHFFFAOYSA-N 408.589 3.920 50 1 HHGF Cc1ccnc2c1CCN[C@@]21C(C=O)=COc2c(Br)cc(Cl)cc21 963071358 QYWHMLKDZUOSIP-GOSISDBHSA-N 405.679 3.670 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 40447576 BOFCSNBFDWKKGX-SQYHMDOVSA-N 423.494 3.697 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2Br)N1 587685326 SJRHLBOFJRSPIS-KBOAJJQZSA-N 405.105 3.834 50 1 HHGF Cc1c(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)ccc2c1C[C@@H](C)O2 103203114 NVJVBQWXDMRGDQ-CYBMUJFWSA-N 411.458 3.812 50 1 HHGF COC(=O)c1c2ccn(CCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 136551073 SYZKDDKQESODMC-UHFFFAOYSA-N 419.441 3.761 50 1 HHGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@]1(C)OC(C)=O 2356542692 BFNUDUOPAMBJLW-KKXYHZGYSA-N 408.491 3.770 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O 587424597 PUTBWRKSPBTOFG-BUXKBTBVSA-N 423.234 3.586 50 1 HHGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)ccc1C(=O)O 219904356 AGRLMTKDRYXTAI-ZVHZXABRSA-N 404.470 3.622 50 1 HHGF COC(=O)c1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2c(F)c1Nc1ccccc1 587009493 IIWGKIIWFKLYLI-UHFFFAOYSA-N 418.856 3.822 50 1 HHGF O=C(Cc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26985763 CJIYCGZVRWDOGD-UHFFFAOYSA-N 408.845 3.831 50 1 HHGF Cc1cccc(C(=O)Oc2ccc(/C=N\NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1 33927590 OICGLRSLQPEING-IWIPYMOSSA-N 417.421 3.815 50 1 HHGF COc1ccc(C2=NN(C(=O)[C@@H](C)Br)[C@@H](c3ccco3)C2)cc1OC 43022079 YCOBSAXFCFOFSB-BXUZGUMPSA-N 407.264 3.758 50 1 HHGF COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371842 GIXKPEWBNZKRNG-IBGZPJMESA-N 404.260 3.619 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1cccc(N(C)C)c1 963630059 BIGKSZFEBYSVQE-SPLOXXLWSA-N 419.363 3.943 50 1 HHGF COc1ccc(/C=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)cc1 53276578 VQUUMPJJQATNQD-QRVIBDJDSA-N 417.425 3.966 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587413272 GKGNQSSTVILRCU-KBXCAEBGSA-N 404.216 3.641 50 1 HHGF C=C1[C@@H](CC[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O 2356428859 ADKAPSSZHRWQSY-XHTILZNSSA-N 409.954 3.987 50 1 HHGF CC1=C[C@@]2(O)[C@@H]([C@]3(C)CC[C@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC=O)[C@H]2CC1 2356667106 IDWJAJISNRTBQV-AASJXKLDSA-N 406.592 3.808 50 1 HHGF COc1ccc2c(c1)C(=O)c1c-2n(CCCCl)c(=O)c2cc(OC)c(OC)cc12 28711254 ADWFGEGXOSXQPU-UHFFFAOYSA-N 413.857 3.868 50 1 HHGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CO)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43393454 DLZMRMBSLOXVDK-UYTOZNIISA-N 404.503 3.904 50 1 HHGF NC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324867 ANQVUBVSIPSNBQ-NQIIRXRSSA-N 415.804 3.716 50 1 HHGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333369 VEXJFXWURIEQCV-QOKNQOGYSA-N 414.763 3.675 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1COc3ccccc3O1)O2 587371668 FMPFDOSQWZOYCK-MJGOQNOKSA-N 404.260 3.516 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 15115444 ISKWRTCZWOXOOF-APPOSYJASA-N 414.498 3.567 50 1 HHGF endogenous,in-man COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Br)[nH]c3c2)cc1 587007572 ANXYPZBJNBCRQC-JTQLQIEISA-N 410.293 3.828 50 1 HHGF NNC(=O)CCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658317 LBPZAJCNGFMXJK-UHFFFAOYSA-N 424.476 3.563 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1C(=O)O 95809035 NLUDZVXVBNTJHV-HZHRSRAPSA-N 411.458 3.520 50 1 HHGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496492 DHAXFVXQNUSCFW-HYBUGGRVSA-N 422.912 3.964 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)CCC[C@H]2Br 587543277 KAPLNBUTPCNQGK-ALKREAHSSA-N 403.228 3.609 50 1 HHGF COC1=CN(C)C(CCl)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587686420 VBDLWGGMLVDFKC-DYZYQPBXSA-N 401.707 3.874 50 1 HHGF O=c1c2ncn(COCCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 1648103 SRCXQJRCOMPWFL-UHFFFAOYSA-N 412.902 3.920 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23O)c(O)c1 257448287 ISKWRTCZWOXOOF-ZSHLYYEWSA-N 414.498 3.567 50 1 HHGF endogenous,in-man CC[C@@H]1[C@@](O)(CC)C=C(C=O)[C@@H]2[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@]12C 85487886 VJYUBMLOVYCXRP-XIDXOBTMSA-N 402.487 3.567 50 1 HHGF biogenic,in-vitro CCOC(=O)[C@@]1(CCBr)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587375414 RXUCEXQZXNQRKT-OALUTQOASA-N 410.308 3.800 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCCl)(c1ccccc1)CC2=O 587458617 COMKJEHRBJPBQY-JOCHJYFZSA-N 401.890 3.951 50 1 HHGF COc1cc2c(cc1OC)[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962616792 AKZOZPIKWPRIAI-YPENRWOSSA-N 412.958 3.928 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(F)ccc1O 95808750 WGUVIZAUGKLSIG-OEAKJJBVSA-N 401.438 3.666 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 136770405 CLHOQFOFZHJBHD-PUPKEAQHSA-N 424.965 3.677 50 1 HHGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1 148960486 QIVKQUZLSKYBEU-XNTDXEJSSA-N 416.485 3.925 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)Cc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 205501991 PBLOWEXHKMBUGD-LNLYYEQMSA-N 402.487 3.980 50 1 HHGF COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)NC(=O)CCl)[nH]c3c2)cc1 587009529 JXMNXTRYDOPMIJ-UHFFFAOYSA-N 401.850 3.732 50 1 HHGF CCOC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009530 JXZDHZVUALZLRU-IBGZPJMESA-N 424.888 3.860 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 587847883 MJLZAMAIHKTMQA-PWJLMRLQSA-N 417.731 3.765 50 1 HHGF BrC(I)=CC(Br)Br 2356421008 VRGQVTFBMFQTIH-UHFFFAOYSA-N 404.665 3.774 50 1 HHGF C=C1C[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@@](C)(O)CC[C@H]12 2356450141 JPCOLXANIJAXTB-LMOGBVFGSA-N 401.385 3.795 50 1 HHGF Cc1cc(C(=O)N/N=C\c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)ccc1[N+](=O)[O-] 15985889 FXULTRIQXIHHPA-NHDPSOOVSA-N 424.369 3.747 50 3 HHGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 1862233 YUGGIBNMRNWUKD-HNNXBMFYSA-N 412.921 3.673 50 1 HHGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333367 VEXJFXWURIEQCV-ALKREAHSSA-N 414.763 3.675 50 1 HHGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587414546 WFLNUJBMAPWISH-XMCHAPAWSA-N 423.303 3.700 50 1 HHGF Cn1c(=O)n(C)c2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587498934 QWGHITSXMJXHRD-HSZRJFAPSA-N 410.901 3.855 50 1 HHGF CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415602 VLOPHLGJSFVICV-BFUOFWGJSA-N 411.292 3.556 50 1 HHGF C/C(=C/[C@@]1(C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21)NNC(=O)CC#N 962661335 CFWADDRSTSIOKD-DDAIRQTISA-N 414.431 3.695 50 1 HHGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F 103201036 YYVCUPLDEXYTFB-WTNDLDAUSA-N 416.411 3.951 50 1 HHGF O=C(CCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541464 BRVFRMQAPOROIV-NZQKXSOJSA-N 423.852 3.604 50 1 HHGF CSc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1NC(C)=O 962901634 JXOYVEBRLSZAJY-PXNSSMCTSA-N 422.909 3.587 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(N)cc2)s1 42967217 UUEPHUWNJKWDEJ-ROUUACIJSA-N 424.917 3.522 50 1 HHGF C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 238771609 DXNRKQZSDLZIAZ-JVKCDKLRSA-N 413.002 3.703 50 1 HHGF O=CC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 101296635 VGYIUIBYSYNRNZ-GQZKBPGJSA-N 410.602 3.868 50 1 HHGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1ccccc1F)=CCC[C@@]1(C)O[C@@H]21 1911586375 CNFOIYQXNYBPAV-BTMMAODYSA-N 413.449 3.689 50 1 HHGF C/C(=N/NC(=O)COc1ccc(C)cc1Br)c1cc([N+](=O)[O-])cs1 15989504 AIOUATVQMSPUKY-YVLHZVERSA-N 412.265 3.646 50 1 HHGF O=C(NNc1nncc2ccccc12)[C@@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1 49070100 PTGBCDHADIQFTG-DLBZAZTESA-N 402.376 3.818 50 1 HHGF COC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321797 KRVBXOQOAIXSCU-WMRHFDQTSA-N 423.234 3.585 50 1 HHGF COc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1F 587010016 ZDEWSQPINSYOSR-KRWDZBQOSA-N 400.841 3.831 50 1 HHGF C[Si](C)(C)C#C[C@@]1(CBr)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962775203 ZKNHAFKSOWMMFO-ZBFHGGJFSA-N 418.329 3.803 50 1 HHGF O=C(NNc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1)c1ccncc1 58603439 NEASBPTZUONUFF-UHFFFAOYSA-N 404.478 3.512 50 1 HHGF COc1ccc([C@@H]2O[C@]34C[C@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934060 MVHDSMPUVNIQOV-SKWRMQMOSA-N 410.422 3.807 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)OCCCO3)O2 587372551 JPWQUEGLBMXSRJ-FQEVSTJZSA-N 418.287 3.994 50 1 HHGF O=C(N/N=C/c1ccc2ccccc2c1O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 888075885 FDSIEWVTKRGAIV-WSDLNYQXSA-N 401.382 3.608 50 1 HHGF O=CC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@H]21)C3 2356575646 VGYIUIBYSYNRNZ-CAKRBILKSA-N 410.602 3.868 50 1 HHGF Nc1ccc(SSCCNC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N=O)cc1 169717435 AXOVZYMEJKWZRF-HNNXBMFYSA-N 411.936 3.862 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccccc1COC(=O)c1ccccc1 618008632 IUTZGCNUJDDZRK-UHFFFAOYSA-N 418.584 3.716 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3C[C@H](C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 2356634804 MMEHDJNMDYANLN-XLLKZTRRSA-N 400.471 3.528 50 1 HHGF CN(C)C(=O)c1ccc2c(c1)[C@](CCl)(c1ccc(Br)cc1)NCC2 962929728 WLBVUGNJIZSNIO-IBGZPJMESA-N 407.739 3.779 50 1 HHGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772580029 HZWGTWVWYRMEFH-IUFPPZTPSA-N 406.450 3.987 50 1 HHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587374526 OZGNAXQCMSBNGH-IBGZPJMESA-N 406.276 3.850 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@@H](C)Br)O2 587375886 VVQCREFAAHZYGD-NSPYISDASA-N 404.260 3.950 50 1 HHGF COc1cc2c(cc1OC)[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962616752 AKZOZPIKWPRIAI-DGCWBMGLSA-N 412.958 3.928 50 1 HHGF C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@@]2(C=O)[C@@H](O)C[C@H]1C 2356332904 LJKLFXDBDBCJPX-MAJKQMIXSA-N 402.531 3.958 50 1 HHGF CC1(C)[C@@]23C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(O)C(Cl)=C[C@@]3(C)O 2356786780 BBPWXVAERDTMPL-BIOYFRDJSA-N 400.140 3.529 50 1 HHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587009802 UGXOZCMTSIJHDW-INIZCTEOSA-N 414.824 3.520 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCCl)(c1scnc1C)CC2=O 587493303 DNKHUPLFXORWQF-FQEVSTJZSA-N 422.934 3.715 50 1 HHGF COC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537116 ATMHOWNJJIWIKI-DNVCBOLYSA-N 407.260 3.913 50 1 HHGF C[C@H](Br)[C@]1(c2ccccc2F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033102 PLVKLPIVMHHILA-KQHSUYLTSA-N 403.295 3.906 50 1 HHGF CC(C)CN(Cc1cc(OS(C)(=O)=O)ccc1Cl)C(=O)/C=C/[C@@H](C)Cl 103286660 MNMXCBUZRZQBRG-OQHXTRMZSA-N 408.347 3.847 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)CBr)c1)O2 587376369 XDFPSQASXZHRGG-LJQANCHMSA-N 403.276 3.791 50 1 HHGF Cn1c(=O)n(C)c2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587498938 QWGHITSXMJXHRD-QHCPKHFHSA-N 410.901 3.855 50 1 HHGF COc1ccc(Cl)cc1C#Cc1ccccc1OCc1cccc(C(=O)NN)c1 587902774 OUDAPBCBCTUWET-UHFFFAOYSA-N 406.869 3.931 50 1 HHGF N#Cc1cccc([C@@]2(C(Br)Br)NCCc3ccc(O)cc32)c1 963343363 URPLXUKIZZBPNY-QGZVFWFLSA-N 422.120 3.769 50 1 HHGF CC(C)(C(=O)O)[C@H]1CC[C@]2(C)O[C@@](C)([C@H](O)CCl)CC[C@H]2[C@]1(C)CC(=O)O 238764048 BKRUBSVLDZLXMF-CMKQGYTDSA-N 404.931 3.532 50 1 HHGF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc([N+](=O)[O-])c1 587135902 RNFSZZYTBDMFQD-UHFFFAOYSA-N 405.389 3.856 50 1 HHGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CNC(=O)CBr)(C(C)(C)C)N1 962944240 HKSWVGWAJHOCES-RNODOKPDSA-N 406.368 3.845 50 1 HHGF O=C(O)c1cccc2c1CCN[C@@]2(CCl)c1ncc(Cl)cc1Br 963125857 VAQPQLCYSZSXDW-MRXNPFEDSA-N 416.102 3.824 50 1 HHGF COc1c(OC)c(N(C)C)c2c(c1SSC)[C@@](OC)(C(C)=O)SCC2 14676800 PKMMISHPQBNGED-QGZVFWFLSA-N 403.591 3.817 50 1 HHGF biogenic C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CC(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103179093 LUGHEWWLQIQOCP-DPLKYLHHSA-N 418.486 3.901 50 1 HHGF N#C/C=C/c1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 149413924 HZHQWAJHXXVIFY-PDXRRZLKSA-N 413.477 3.762 50 1 HHGF BrC[C@]1(c2ccccc2Br)NCCc2nc3ccccn3c21 962987295 KXHTXTRYVMYHMU-QGZVFWFLSA-N 421.136 3.881 50 1 HHGF COc1ccc2ccc(=O)oc2c1C=C(C=O)c1c(OC)ccc2ccc(=O)oc12 2356382942 SXMLKPWAEMEUQE-UHFFFAOYSA-N 404.374 3.656 50 1 HHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 962942904 CSXOJXILUHZMAS-IQMFZBJNSA-N 408.933 3.765 50 1 HHGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)OCc1cccc2ccccc12)B(O)O 1857636781 VLEABJVXFYBMDC-ZEQRLZLVSA-N 419.330 3.511 50 1 HHGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43523530 QODAKLHFUQUSQX-GNZRSQJKSA-N 410.850 3.747 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587415411 RTQCDQGXKDPBBR-XOBRGWDASA-N 419.271 3.750 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43888329 DUMYHBJLGNKMOJ-BFJMQZIRSA-N 408.466 3.665 50 1 HHGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@@H]1C#N 169694597 FZVDYIZFWTVBIT-DENIHFKCSA-N 402.502 3.923 50 1 HHGF C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)C(=O)NN 28351016 MSEHDXNTCSPNTQ-CYBMUJFWSA-N 422.535 3.585 50 1 HHGF Cc1ccc(N2C(=O)CS/C2=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1772612065 KGDLJRBTKCGPQS-RELWKKBWSA-N 424.309 3.848 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CC[C@@H]2OC(C)=O 2356512799 FAHUDUVWJUBJRS-RWKKZROESA-N 408.491 3.722 50 1 HHGF CC(C)(C)OC(=O)NN(C[C@H]1CC=CCC1)c1nc(C#N)ncc1Br 58575972 VGFPSWFEMIWJMG-LBPRGKRZSA-N 408.300 3.713 50 1 HHGF Cc1ccc(S(=O)(=O)OCCP(=O)(c2ccccc2)c2ccccc2)cc1 68592434 HRHIKQNFIFZSBQ-UHFFFAOYSA-N 400.436 3.714 50 1 HHGF biogenic C/C(=N\NC(=O)/C(C#N)=C/c1cccnc1)c1cc2c(ccc3ccccc32)oc1=O 103291516 WAQUEVCLLQMLLF-KGFSOAFVSA-N 408.417 3.789 50 1 HHGF O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1 38447617 ZRUCMWBZZMFHEC-UHFFFAOYSA-N 400.843 3.863 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101187050 USELZKKLESYBRF-JMRKLLIOSA-N 404.459 3.972 50 1 HHGF N#C[C@@H](C(=O)NCc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496494 DHAXFVXQNUSCFW-RDPSFJRHSA-N 422.912 3.964 50 1 HHGF COC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587545165 QBHMEYWHMKINSK-UTKZUKDTSA-N 414.797 3.868 50 1 HHGF CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC=C(C)C)c1=O 221584613 VNPOBMBCDHUHAG-UHFFFAOYSA-N 413.518 3.795 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)oc(=O)n3C)CC2=O 587460663 ONTMGHKETIGNJM-OAQYLSRUSA-N 401.846 3.889 50 1 HHGF O=C(CCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541466 BRVFRMQAPOROIV-REWPJTCUSA-N 423.852 3.604 50 1 HHGF CCOC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669293 CNGZSXWOTDBFEH-KOSWAMCASA-N 423.120 3.664 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@H]32)c(O)c1 85635139 BGKXQRPQNIXIMH-HGLOWAQJSA-N 414.498 3.567 50 1 HHGF in-man O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2c[nH]c3ccncc23)N1 962971214 SWIHYGDLHBDQHY-KBXCAEBGSA-N 412.223 3.576 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 299804897 OURMJLFLCWODMX-SZARQIBASA-N 421.497 3.847 50 1 HHGF CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587376931 YWAXZCQLUUDAIT-QUCCMNQESA-N 418.287 3.765 50 1 HHGF COc1cc2c3c(c1)O[C@H](c1ccc(OCCBr)c(OC)c1)[C@@H](C2)C3=O 587413048 LZHNVPLTZRKBPS-VBKZILBWSA-N 419.271 3.966 50 1 HHGF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2c(C(=O)Cl)cccc21 963528549 UIBQIXWIVUUFEI-MHECFPHRSA-N 419.864 3.951 50 1 HHGF N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccccc1)c1ccccc1 5722378 RHYLKAKIUJIVPI-MELLPFMNSA-N 422.444 3.662 50 1 HHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(OC)c1C#N 68152817 JXSYFVQVZWDDSE-WYMPLXKRSA-N 420.494 3.675 50 1 HHGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587419341 CJYNYJHELJBFOL-QRQCRPRQSA-N 411.841 3.845 50 1 HHGF O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653773221 BSGNDMAILBQHNK-ZMOGYAJESA-N 400.390 3.635 50 1 HHGF COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC)cc1 1021128 MRNWDJJRHXLAQP-BUVRLJJBSA-N 403.438 3.720 50 3 HHGF Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)sc2c1 103282571 FZGYTBGHMVFHMD-LSDHHAIUSA-N 422.341 3.919 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587681711 ABUHNBRBRHKBLS-YPMLDQLKSA-N 424.701 3.536 50 1 HHGF CC[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(OC)cc1 72180493 YKOLLCHLHYVMMK-GFCCVEGCSA-N 406.269 3.968 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](Br)C2=O)N1 587681319 KJMMVBPUPZAINR-OTDPEBBPSA-N 405.105 3.834 50 1 HHGF O=C(N/N=C\c1cccc(O)c1)Nc1nnc(COc2ccc3ccccc3c2)o1 53244058 VPVBFDIVNGNBTI-UUYOSTAYSA-N 403.398 3.663 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1cccs1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587453820 ZSAJMRUXBZIXCK-WHWRDJHUSA-N 423.284 3.638 50 1 HHGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@H](C)CCC[C@@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356788065 BVTHNPARSMPDCF-RARKUIQUSA-N 408.491 3.578 50 1 HHGF O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr 27187027 FITHFPHFIGGTGK-UHFFFAOYSA-N 413.227 3.906 50 1 HHGF O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccc3c(c2)CCC3)o1 35604896 KECLCPYFZQPJQX-FSJBWODESA-N 421.409 3.725 50 1 HHGF O=C(O)Cc1cccc(CC[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 1492707 LULNMGLDEMLBSW-WBKXNKNWSA-N 421.497 3.847 50 1 HHGF COc1ccc2oc(S(=O)(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1 5923376 FYERFCKDMKWREM-GFCCVEGCSA-N 422.846 3.881 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@H](C)Br)[C@@H](C2)C3=O 587414571 NBUZWCZMCNZLLJ-YOKVUHJFSA-N 417.255 3.850 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCCl)(c1ccccc1)CC2=O 587458619 COMKJEHRBJPBQY-QFIPXVFZSA-N 401.890 3.951 50 1 HHGF COC(=O)c1coc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587683904 IHPBSIBTEQTVEN-XYZCENFISA-N 416.674 3.984 50 1 HHGF CN(CCCCc1ccccc1)C(=S)NNC(=O)COc1ccc(Cl)cc1 96285249 NBPXKPSIJKWWDZ-UHFFFAOYSA-N 405.951 3.579 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 201567605 QLVBYFHMABCMMH-PZQVVVGWSA-N 403.519 3.870 50 1 HHGF CCOC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587669609 FLVCSWJAXJIPED-CEFVDNRUSA-N 423.120 3.664 50 1 HHGF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)C(=O)O1 40741605 ZUWYNKSAJHGYHG-BXBHGGAKSA-N 418.478 3.822 50 1 HHGF CC(=O)N1CCc2sc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C1 587415805 YBZSHUDJIFVMAB-FQEVSTJZSA-N 404.919 3.643 50 1 HHGF NC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615184 WVYVKTRZSQTHMJ-OXQOHEQNSA-N 415.854 3.649 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 587846701 QTODCJQILBXJPN-MGNBDDOMSA-N 423.307 3.991 50 1 HHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416709 CQUROCAILMAOGU-SZNDQCEHSA-N 403.862 3.699 50 1 HHGF COc1ccc(Cl)cc1C#Cc1ccccc1OCc1ccc(C(=O)NN)cc1 587902258 BOZQTNBPMOOAFX-UHFFFAOYSA-N 406.869 3.931 50 1 HHGF COc1ccc(Cl)cc1C#Cc1ccc(OCc2cccc(C(=O)NN)c2)cc1 587907397 LGCXGZJBFRQZNT-UHFFFAOYSA-N 406.869 3.931 50 1 HHGF CCN(CC)c1ccc2c([C@@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@H]4C)cc(=O)oc2c1 95560263 QJLRINQORPQZLU-ZIAGYGMSSA-N 419.481 3.700 50 1 HHGF CC(C)[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95591530 AWJYWKALDBWJAN-YGRLFVJLSA-N 401.891 3.602 50 1 HHGF O=C(c1cccnc1Nc1nc2ccccc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103282400 GWEWVMKJIOZRTH-KBPBESRZSA-N 408.314 3.610 50 1 HHGF CC(C)CN(Cc1cc(Cl)ccc1OS(C)(=O)=O)C(=O)/C=C/[C@@H](C)Cl 103286649 QHYBXXXCUIXNJA-OQHXTRMZSA-N 408.347 3.847 50 1 HHGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O 195766586 HNSXUVGIMHTKHC-BDAKNGLRSA-N 408.782 3.946 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)CC(=O)O)O2 587375913 WASCSSOJZKXHFT-APWZRJJASA-N 404.260 3.676 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1nnc(-c2ccc(F)cc2)o1 963630095 BMIRQRIMTIURGV-LAJNKCICSA-N 417.868 3.910 50 1 HHGF CCOc1cc(C(=CC#N)c2ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c2)ccc1OC 1857623404 JEAJHMPBGAMZKO-QHCPKHFHSA-N 424.497 3.946 50 1 HHGF C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C=O)C(C=O)=C[C@@H](OC(=O)CCC)C[C@@H]21 2356332907 LJKLFXDBDBCJPX-ZVRAQLMHSA-N 402.531 3.958 50 1 HHGF COc1cc(/C=N\NC(=O)c2cc3c(cn2)[nH]c2ccccc23)cc(OC)c1OC 103183912 KMLZXRKBBVQTNX-MYKKPKGFSA-N 404.426 3.506 50 1 HHGF Cc1cc(C)cc(C(=O)N/N=C/c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)c1 473106530 XNKQMHZPJYYHRT-ZMOGYAJESA-N 421.457 3.559 50 1 HHGF COc1cc([C@@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC 2356590092 DGNJLNNHIGBXSV-RNODOKPDSA-N 400.427 3.834 50 1 HHGF C[C@H]1C[C@@H](N(C)C(=O)C[C@@H](C)C(Cl)Cl)C(=O)N2[C@H](c3nccs3)CC[C@H]12 2356800891 RFFLZSIXQYFHRG-MQLXINIDSA-N 418.390 3.872 50 1 HHGF COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(C#N)[C@@H]2c1ccccc1OC 39324378 AVRXZKZKTXEVFZ-LVJXIGIWSA-N 415.493 3.795 50 1 HHGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)CO 2356384533 UGXXUYXGMCGXKD-BBNZOYGDSA-N 404.620 3.725 50 1 HHGF C[C@H](C(=O)N/N=C1\C(=O)Nc2cccc(-c3cccc(F)c3)c21)c1ccc(O)cc1 72180262 ZOENTONWXGTUIW-ZDUSSCGKSA-N 403.413 3.774 50 1 HHGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)cc1 587007466 DGKMSRNBOFCCTB-ZDUSSCGKSA-N 400.287 3.891 50 1 HHGF COc1cc(OC)c2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009903 XCCFVZGAZGCSMB-KRWDZBQOSA-N 412.877 3.700 50 1 HHGF CC1=C[C@@]2(O)[C@@H](CC1)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 238776112 IDWJAJISNRTBQV-JPKYEYPISA-N 406.592 3.808 50 1 HHGF O=C(N/N=C/c1ccc(O)cc1O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653758758 YIXDFCTWECFLJK-ZMOGYAJESA-N 400.390 3.635 50 1 HHGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3C[C@@H](O)C(=CC=O)C(=O)O[C@@]3(C)[C@@H](O)C[C@H]21 2356484379 RPIROHTYJARXSQ-JEOJGPDMSA-N 418.574 3.808 50 1 HHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1O 3990443 BJZOYRGSQDXJIJ-MRXNPFEDSA-N 412.243 3.863 50 1 HHGF COC(=O)CCCCCCC(=O)N/N=C/c1cccc(NC(=O)OC(C)(C)C)c1 95809417 GOWCTYLVVIPEKN-PXLXIMEGSA-N 405.495 3.997 50 1 HHGF CCOC(=O)C[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673108 KJRXKSFUKFKCSI-PSLIRLAXSA-N 423.120 3.666 50 1 HHGF CN1CCc2cnn(C)c2[C@@]1(c1cc(F)ccc1F)[C@@H](Br)CCCl 963956122 VAOJCDJAYQQDOU-DOTOQJQBSA-N 418.713 3.822 50 1 HHGF C=C1C[C@@]23C[C@H]1[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)OC 2356529403 GGKPYEWCDNJRKB-RFRMNXSISA-N 416.590 3.860 50 1 HHGF O=C(O)Cc1ccc(CC[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 169370957 HFPJUWRQPGXQQX-OAXXUWLJSA-N 421.497 3.847 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)OCCCO3)O2 587372554 JPWQUEGLBMXSRJ-HXUWFJFHSA-N 418.287 3.994 50 1 HHGF Cc1cccc(N2C(=O)CS/C2=N/NC(=O)c2ccc(Br)cc2)c1C 3983021 RPIQIXXMTXNPMJ-DYTRJAOYSA-N 418.316 3.847 50 1 HHGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2N1 587498830 PDIKSGPSRTXXKV-XZOQPEGZSA-N 414.933 3.724 50 1 HHGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356475757 OZVULSZVQZGKTL-PSDTUPOISA-N 401.035 3.695 50 1 HHGF CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372145 JOUPQRCFCLKRQD-PEBXRYMYSA-N 400.906 3.744 50 1 HHGF Cc1cc2c(cc1F)[C@@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)NCC2 962299359 NIOZZTYFBRJJRJ-RBZFPXEDSA-N 422.294 3.770 50 1 HHGF COc1ccc(NC(=O)/C(C)=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 1772623419 WMAGLIMKJVFEAR-KOEQRZSOSA-N 404.470 3.847 50 1 HHGF COc1cc([C@@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 2356590094 DGNJLNNHIGBXSV-ZUOKHONESA-N 400.427 3.834 50 1 HHGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccc(Cl)cc1 473119905 NNBIGCAJGBWEER-ZMOGYAJESA-N 408.845 3.516 50 1 HHGF CC=C(C=O)[C@H]1[C@@H](OC(C)=O)[C@@H]2O[C@@]23[C@@H]2CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C 2356397500 CQIQFZVEWSZZEF-FTNCEYSUSA-N 416.558 3.824 50 1 HHGF NC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615183 WVYVKTRZSQTHMJ-OXJNMPFZSA-N 415.854 3.649 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccco1 34802422 RKONXIURGYGSAE-GEXZYOHASA-N 412.467 3.895 50 1 HHGF O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1 33784382 PQRCICYGWACMGJ-JAIQZWGSSA-N 407.411 3.979 50 1 HHGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C\C1=Cc2ccccc2O[C@H]1C 38161620 SNOKPOBGFORGGR-VYCDWWBISA-N 401.507 3.892 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 299840266 WOXXSXDXNWLLQQ-ZXSIQIRYSA-N 414.498 3.567 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCBr)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158709 IQFAHJFEPBBJIH-QOBNMGNYSA-N 405.329 3.996 50 1 HHGF COC1=CN(C)C(CCl)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587684086 KGZLTBSMWAHCPM-DYZYQPBXSA-N 401.707 3.874 50 1 HHGF N#Cc1cccc([C@]2(C(Br)Br)NCCc3ccc(O)cc32)c1 963343362 URPLXUKIZZBPNY-KRWDZBQOSA-N 422.120 3.769 50 1 HHGF CC[C@@H]1[C@](O)(CC)C=C(C=O)[C@@H]2[C@@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@@]12C 2356768762 VJYUBMLOVYCXRP-CQRJNKKSSA-N 402.487 3.567 50 1 HHGF O=c1cc(CCl)oc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1O 64516650 KOLRYJWHVKEGMD-UHFFFAOYSA-N 417.720 3.709 50 1 HHGF C=C(C)[C@H]1CC[C@@](C)(O)[C@H](O)[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 139465858 MKFNGLHIEAHRCD-AIFSHUDHSA-N 401.385 3.962 50 1 HHGF C[C@@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@@H]1Br 71317028 YAPATQLJHKARLV-AWFVSMACSA-N 414.875 3.703 50 1 HHGF CCOc1ccc(/N=C(C(=C(\Cl)C(Cl)Cl)/[N+](=O)[O-])\n2cncn2)cc1 169688825 NKHLPHDTJVWPLI-IICJTNPGSA-N 404.641 3.786 50 1 HHGF CC(C)(NC(=O)CCl)c1nc2c(Br)ccc(Br)c2[nH]1 587007552 FSQJLWLXQCBQEH-UHFFFAOYSA-N 409.509 3.678 50 1 HHGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC 1857879 FDRIUJFXAJREQP-LBPRGKRZSA-N 415.877 3.759 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 85635046 ISKWRTCZWOXOOF-GUTDZKFXSA-N 414.498 3.567 50 1 HHGF in-man C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@](C)(OO)CC[C@H]2OC(C)=O 238786085 FAHUDUVWJUBJRS-OMYQJDTISA-N 408.491 3.722 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26726063 OURMJLFLCWODMX-ALIBIFOGSA-N 421.497 3.847 50 1 HHGF CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 169690871 HGFTXGUBZOYWKT-NVXWUHKLSA-N 407.499 3.976 50 1 HHGF Cc1cc(C)c2c(NC(=O)CCl)c(-c3ccc4c(O)nc(O)nc4n3)sc2n1 587564661 VBNJVGXEBIJOQL-UHFFFAOYSA-N 415.862 3.507 50 1 HHGF CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372141 JOUPQRCFCLKRQD-FPTDNZKUSA-N 400.906 3.744 50 1 HHGF COc1cc2c(OC)cccc2cc1C(=O)NCCCSSCCN(C)C 618009503 ZBVHJVATYPMSCS-UHFFFAOYSA-N 408.589 3.920 50 1 HHGF C[Si](C)(C)C#C[C@]1(CBr)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962775197 ZKNHAFKSOWMMFO-GOEBONIOSA-N 418.329 3.803 50 1 HHGF C=C1C[C@@]23C[C@H]1[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC 2356529401 GGKPYEWCDNJRKB-CQRBZRNZSA-N 416.590 3.860 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 169423406 GYCBSZGIYPNYAB-MONRSEIRSA-N 414.498 3.918 50 1 HHGF endogenous,in-man COC(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)s1 587408673 CZSVEDWSTYSEAM-QGZVFWFLSA-N 410.289 3.681 50 1 HHGF O=C(O)c1cccc2c1CCN[C@]2(CCl)c1ncc(Cl)cc1Br 963125850 VAQPQLCYSZSXDW-INIZCTEOSA-N 416.102 3.824 50 1 HHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(F)cc(CBr)c2)N1 963231583 NIIAXTQKSKYYGG-MOPGFXCFSA-N 415.262 3.957 50 1 HHGF N#CSCCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 72125882 FCMFFKRRYKGMFU-UHFFFAOYSA-N 418.110 3.735 50 1 HHGF CN1CCc2cnn(C)c2[C@]1(c1cc(F)ccc1F)[C@@H](Br)CCCl 963956126 VAOJCDJAYQQDOU-RDJZCZTQSA-N 418.713 3.822 50 1 HHGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587009178 VRIVIJPORTWGNA-JTQLQIEISA-N 410.293 3.828 50 1 HHGF COc1cc2c3c(c1)O[C@](c1cccs1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587453814 ZSAJMRUXBZIXCK-FNFWKMNBSA-N 423.284 3.638 50 1 HHGF COc1ccc(/N=N/C(=N/NC(=O)c2cc(O)c(O)c(O)c2)c2ccccc2)cc1 1772602612 PLXMTDAQFNTFNA-MPCZAVSTSA-N 406.398 3.688 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@@H]23)c(O)c1 85635136 BGKXQRPQNIXIMH-TWMIOPPBSA-N 414.498 3.567 50 1 HHGF in-man C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(O)ccc2n1C 95563261 IDKUSVAEHGREHH-KEBDBYFISA-N 402.248 3.506 50 1 HHGF CN(/N=N/c1ccc(C#N)cc1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 98067404 LFQQEFJPAIPOQI-FIEZSYLZSA-N 423.473 3.857 50 1 HHGF O=C(NNC(=S)Nc1ccccc1F)c1cnc2c(C(F)(F)F)cccc2c1O 73140643 CMPIFZFOUHUPRI-UHFFFAOYSA-N 424.379 3.730 50 1 HHGF COC(=O)CC[C@]1(CBr)c2cccc(F)c2CCN1[C@H]1CCSC1 962695850 FZJMPFLYYOEXGG-UGSOOPFHSA-N 416.356 3.733 50 1 HHGF C=C(C)[C@]1(OO)C[C@@H]2[C@](C)(CC[C@@H](OC(=O)C(C)=CC)[C@]2(C)OC(C)=O)CC1=O 2356727501 IFEBICCBZIPPDX-QKINTPNGSA-N 408.491 3.770 50 1 HHGF CCCn1nc(-c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1C(=O)NN 73105748 TUALWTWAYSAEKM-UHFFFAOYSA-N 403.486 3.575 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)CC(=O)O)O2 587375915 WASCSSOJZKXHFT-LPHOPBHVSA-N 404.260 3.676 50 1 HHGF COc1ccccc1/N=N/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 1772631651 BVMFLAQWMRHSLD-MPCZAVSTSA-N 406.398 3.688 50 1 HHGF N#C/C(=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1)C(=O)O 587897831 XFRPXTUOTCNTEW-AUWJEWJLSA-N 419.289 3.757 50 1 HHGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975832 MWPCDDIHPFSRGZ-YCRPNKLZSA-N 419.811 3.553 50 1 HHGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@@]2([C@@H]2C(=O)Nc3ccccc32)NC1=O 1857644078 GDLCAEYLXPCKEP-WMZHIEFXSA-N 414.852 3.649 50 1 HHGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c2)ccc1OC 38240651 JEAJHMPBGAMZKO-RXATWSHQSA-N 424.497 3.946 50 1 HHGF COC(=O)[C@@H]1C[C@@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 38268471 SGNJGRJIPDONNA-GKRPYSMHSA-N 408.878 3.676 50 1 HHGF C=C1C[C@H]2[C@@H]3C=C(C=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 169302483 ZXLIFJWJDOJBEO-DWNQPYOZSA-N 410.510 3.920 50 1 HHGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375475 SUKRWVUNYHKNOY-PXNSSMCTSA-N 418.287 3.985 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(F)c1OC)[C@@H](C2)C3=O 587424786 UWTDTASBSWICGH-ORAYPTAESA-N 407.235 3.881 50 1 HHGF CN(CCO)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 103000263 IHTDBEGLCXULLT-IYBDPMFKSA-N 420.575 3.842 50 1 HHGF CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103210802 RCWZWGGUJAKELA-PQMNFKMDSA-N 411.464 3.905 50 1 HHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(F)c1OC 72109335 CPMNQTYGMXWJKY-FOKLQQMPSA-N 413.474 3.942 50 1 HHGF N#C/C(=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1)C(=O)O 587897832 XFRPXTUOTCNTEW-VGOFMYFVSA-N 419.289 3.757 50 1 HHGF CCCCC1=C(Br)[C@@](OC)(C(Br)Br)OC1=O 49888748 XZEZVRZGEWQEOF-JTQLQIEISA-N 420.923 3.841 50 1 HHGF biogenic CO[P@@](=O)(c1cc(C)cc(CCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 206268182 KJQCBIWCQKNBKR-NDEPHWFRSA-N 415.817 3.560 50 1 HHGF Cc1c(C(=O)NN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203120 BBLIJZGYFJVKEC-CYBMUJFWSA-N 411.458 3.812 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2CCOC2)N1 587672381 FSHXUANFTLFXKV-XDMRBOTDSA-N 407.121 3.749 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)cs2)N1 587844471 AQVVMRWEJMRXAG-PWJLMRLQSA-N 417.731 3.765 50 1 HHGF C=C(C)[C@]1(OO)C[C@H]2[C@](C)(OC(C)=O)[C@H](OC(=O)C(C)=CC)CC[C@]2(C)CC1=O 2356727499 IFEBICCBZIPPDX-HTFPWXHTSA-N 408.491 3.770 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](Br)CC(=O)O)O2 587411142 BCAUSXDHXMEJQL-GUYCJALGSA-N 410.289 3.738 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1cc4c(cc1F)NC(=O)CC4)[C@@H](C2)C3=O 587429004 SFCNTGAIWFYEOP-LHSJRXKWSA-N 401.821 3.601 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCC(N)=O)cc1)CC2=O 587459224 HAWHAVGWRQWTTQ-QFIPXVFZSA-N 401.890 3.862 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](Br)C2=O 587544286 NOSXMPUXIVIBRI-ODYMNIRHSA-N 403.228 3.609 50 1 HHGF NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 473135097 KYZAPWFNINYHOC-LEWJYISDSA-N 420.900 3.508 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O 587413412 OPJQCZICLPPFOZ-OXJNMPFZSA-N 416.271 3.691 50 1 HHGF O=[N+]([O-])c1cn(CCN(CCBr)Cc2ccc(Cl)c(Cl)c2)cn1 96926853 XZEJWRRYZCUXCJ-UHFFFAOYSA-N 422.110 3.995 50 1 HHGF [C-]#[N+][C@H]1C[C@@](O)(C2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 261192424 ZQYRMWDFVJYWAR-ABSDTBQOSA-N 417.872 3.672 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cncnc2)N1 587671686 ADCTULAYHYXSCG-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF COc1cc2c(cc1OC)[C@@](C(C)C)([C@@H](C)Br)NCC21CCOCC1 963191545 PCFPCYSYFRKHNE-JLTOFOAXSA-N 412.368 3.990 50 1 HHGF O=C(O)Cc1ccc(CC[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)cc1 195283027 HFPJUWRQPGXQQX-DLGXVNBQSA-N 421.497 3.847 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1cccc(C(=O)O)c1 963632578 GCBPAVBSTVXXSX-FKIZINRSSA-N 420.303 3.575 50 1 HHGF CN1CC=C(O[P@@](=O)(NCc2ccccc2)N(CCCl)CCCl)CC1 3592618 WCTCITAAGCWGMK-VWLOTQADSA-N 406.294 3.900 50 1 HHGF COc1cc(C[C@H](C)Oc2c(OC)cc(C=CC=O)cc2OC)cc(OC)c1OC 2356531987 DJISBQYYAQAYBP-HNNXBMFYSA-N 416.470 3.952 50 1 HHGF Cc1c(C(=O)NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203124 KRDBQZILWBCTNZ-CYBMUJFWSA-N 411.458 3.812 50 1 HHGF CC(C)[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 72179744 YKUZLBWBHXCGHK-CQSZACIVSA-N 406.269 3.911 50 1 HHGF O=C(O)CCc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 169336046 OURMJLFLCWODMX-OAXXUWLJSA-N 421.497 3.847 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cncnc2)N1 587671691 ADCTULAYHYXSCG-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF C=C1CC[C@H](Cl)[C@](O)(COC(C)=O)C[C@@H]2O[C@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 2356795629 MHVLIPPDAODSCC-XBWUDYBRSA-N 414.970 3.733 50 1 HHGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@H](C)Cl)cc1 40974662 DELPEKZVPULTPK-OYHNWAKOSA-N 423.900 3.665 50 1 HHGF Cc1ccccc1C[n+]1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 96284144 OBOSSYHBYFNEOJ-QFIPXVFZSA-N 422.464 3.655 50 1 HHGF COc1cc(O)c(C(=O)N/N=C(/C)c2cc3ccccc3n2C)cc1Br 96903491 HMIICCGUWAUSCK-NHDPSOOVSA-N 416.275 3.809 50 1 HHGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838770 OZLIRUYVCBMLKR-YBTHPKLGSA-N 418.262 3.850 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)oc(=O)n3C)CC2=O 587460661 ONTMGHKETIGNJM-NRFANRHFSA-N 401.846 3.889 50 1 HHGF N[C@H]1CC[C@H](NC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 621477702 VLXNQJUPVDSYJM-LLGNAAQASA-N 420.550 3.752 50 1 HHGF CCc1ccc2c(c1)[C@]1(N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(C=O)=CO2 962732347 ZRUQHZGJVMNQLF-RXVVDRJESA-N 401.384 3.614 50 1 HHGF COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@H]1Br)[C@@H](C2)C3=O 587418054 RHXGCIHXDMDESM-XAUMDUMWSA-N 401.256 3.666 50 1 HHGF COC1=CN(C)C(CCl)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587684085 KGZLTBSMWAHCPM-BTDLBPIBSA-N 401.707 3.874 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1COc3ccccc3O1)O2 587371663 FMPFDOSQWZOYCK-HKUYNNGSSA-N 404.260 3.516 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587415220 QORIHRQLHLOECE-IFXJQAMLSA-N 418.243 3.950 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O 587424598 PUTBWRKSPBTOFG-HXPMCKFVSA-N 423.234 3.586 50 1 HHGF C=C1[C@@H](CC[C@@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O 2356428858 ADKAPSSZHRWQSY-VBOXVVQSSA-N 409.954 3.987 50 1 HHGF CC(C)(C)OC(=O)NN(CC1CCCCC1)c1nc(C#N)ncc1Br 58568872 NJCJNDWXKYYAOB-UHFFFAOYSA-N 410.316 3.937 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(C(=O)O)cc1 95809034 ISOFCSGYJZCAMR-HZHRSRAPSA-N 411.458 3.520 50 1 HHGF COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] 587372424 IRDHUTDUYCMOJR-SFHVURJKSA-N 421.247 3.750 50 1 HHGF CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@H]31)CC2=O 587459258 HGKXLOLOLWWAAS-FGZHOGPDSA-N 418.921 3.503 50 1 HHGF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(B(O)O)ccc1OCc1ccccc1 963241875 OFOSBOBFJDTNRR-AFMDSPMNSA-N 415.342 3.691 50 1 HHGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 169698732 VFNOPSPJFUZFBO-UXHICEINSA-N 412.405 3.737 50 1 HHGF COc1cc(/C=N/NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC 653813166 KGMYMLLNLRCWAY-SSDVNMTOSA-N 424.482 3.647 50 1 HHGF COc1cc(C)ccc1[C@]1(CBr)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963035680 SPRDTLZDRMPIFM-QKKBWIMNSA-N 415.331 3.695 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@](CBr)(CC[C@H]3CCCCO3)c3cccc1c32 963027351 NVKRIQCORFYYGY-SXGZJXTBSA-N 407.352 3.679 50 1 HHGF C=C([C@@H]1CC[C@](C)(O)[C@H](Br)C1)[C@@H]1[C@H](O)[C@@H]2[C@H](CC[C@@]2(C)O)C1(C)C 2356797636 OERZXAKPKLPTJX-QNZZTPCCSA-N 401.385 3.651 50 1 HHGF C=C1[C@H](OC(C)=O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC=C1CC(=O)NC1=O 2356535893 LNPKRCWKHZHXIZ-OPFLOMGLSA-N 407.938 3.907 50 1 HHGF O=C(NNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O)Nc1cccc(Cl)c1 73389679 VPXGHZWAQFQMGE-UHFFFAOYSA-N 424.766 3.667 50 1 HHGF CCN(CC)c1ccc2c([C@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@@H]4C)cc(=O)oc2c1 95560264 QJLRINQORPQZLU-KBPBESRZSA-N 419.481 3.700 50 1 HHGF COc1ccc(NC(=O)c2cccc(NC(=O)[C@H](C)Br)c2)cc1OC 28954545 DSDFZJXSZAVFDR-NSHDSACASA-N 407.264 3.678 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 587844472 AQVVMRWEJMRXAG-VPTHRUTESA-N 417.731 3.765 50 1 HHGF CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 169690872 HGFTXGUBZOYWKT-WBVHZDCISA-N 407.499 3.976 50 1 HHGF Cc1cc2c(cc1O)[C@@](c1ccccc1Cl)([C@H](C)Br)N[C@H](C(=O)O)C2 963554406 UVKUISNQPFCQGM-UTLVKMTRSA-N 424.722 3.980 50 1 HHGF O=CC1=C[C@]23CC/C=C/CCCCN4CC[C@@H]1[C@]1(C[C@@H]5CCC(=O)CC[C@@H](O2)N5[C@@H]31)C4 169360879 WUKOCMHQGBCSFZ-LCNNDGRRSA-N 424.585 3.635 50 1 HHGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195241249 ZYZHUTWVVKBICK-FBMAUTSOSA-N 410.507 3.889 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1nnc(-c2ccc(F)cc2)o1 963630092 BMIRQRIMTIURGV-GTJPDFRWSA-N 417.868 3.910 50 1 HHGF C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@]2(C=O)[C@@H](O)C[C@H]1C 84154288 JNCWBVCCDFJVEI-ISYBQSFZSA-N 402.531 3.958 50 1 HHGF biogenic,in-vitro COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc(O)c(C)c1 963635702 NSMZSZNLXCUGLB-ZUOKHONESA-N 406.320 3.891 50 1 HHGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2ccccc2)c1F 1857620377 MLUABCJSDARDPO-UHFFFAOYSA-N 422.840 3.909 50 1 HHGF C[C@]1(CI)CO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 253632631 CHDXYDXFQUPQHT-BTYMGIQYSA-N 400.256 3.853 50 1 HHGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975821 MWPCDDIHPFSRGZ-BTYIYWSLSA-N 419.811 3.553 50 1 HHGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C(=CC=O)C(=O)O[C@@]3(C)[C@@H](O)C[C@@H]12 2356484382 RPIROHTYJARXSQ-ZRUGDAJOSA-N 418.574 3.808 50 1 HHGF CCOC1=C/C(=C/C(C#N)=C2/NC(c3cccs3)=C(NC(C)=O)S2)C=CC1=O 13119052 QVTIBSPVBFZNOM-QZTGBSOPSA-N 411.508 3.568 50 3 HHGF Cn1c(C(=O)N/N=C/c2ccc(Cl)cc2)cc(Br)c1Br 169702864 LYRYHABMPXBVIY-REZTVBANSA-N 419.504 3.967 50 1 HHGF NC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541688 CYSPDICWXMZJIP-XMSQKQJNSA-N 424.840 3.979 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cn1nnc2ccccc21 587546808 XVUZCOMVPFOEEH-SIKLNZKXSA-N 421.840 3.776 50 1 HHGF CCOC(=O)[C@]1(CCBr)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587375413 RXUCEXQZXNQRKT-MOPGFXCFSA-N 410.308 3.800 50 1 HHGF CC[C@H](C)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618012462 HCWUCTGXVNMCLN-HOTGVXAUSA-N 421.673 3.717 50 1 HHGF CCOC(=O)c1cc2ccccn2c1/C=N/NC(=O)COc1ccc(Cl)cc1C 1857570309 OLYIIUODYHUPSY-FSJBWODESA-N 413.861 3.607 50 1 HHGF COc1c(OC)c(N(C)C)c2c(c1SSC)[C@](OC)(C(C)=O)SCC2 14676798 PKMMISHPQBNGED-KRWDZBQOSA-N 403.591 3.817 50 1 HHGF biogenic COc1cc(NC(=O)c2cc(NC(=O)[C@H](C)Br)ccc2F)ccc1O 28954597 CECHHDGHVUJWDB-VIFPVBQESA-N 411.227 3.514 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 100773384 BGKXQRPQNIXIMH-UAXXMNOQSA-N 414.498 3.567 50 1 HHGF endogenous,in-man CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2)no1)SC 103220940 BDICQCXZIVAUAX-FBMGVBCBSA-N 421.906 3.762 50 1 HHGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1C1CCCCC1 1772650885 JWOHCVTWZFRGPI-HEHNFIMWSA-N 416.330 3.668 50 1 HHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cn1nnc2ccccc21 587546807 XVUZCOMVPFOEEH-KNQAVFIVSA-N 421.840 3.776 50 1 HHGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C(=CC=O)C(=O)O[C@@]3(C)[C@@H](O)C[C@@H]12 2356484381 RPIROHTYJARXSQ-OQECRQJQSA-N 418.574 3.808 50 1 HHGF C#C/C=C/C[C@@H](Br)[C@]1(OC)C[C@H]2O[C@@H](CC)[C@H](Br)C[C@H]2O1 238744649 OWMHLDFUWHSEBI-IEBRDYIXSA-N 422.157 3.792 50 1 HHGF CC(C)(NC(=O)CCl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587009430 FNUTWHOTYGYJSS-UHFFFAOYSA-N 414.609 3.814 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1c(OC)cccc1OC)[C@@H](C2)C3=O 587414074 KFXQOTFWILMXKJ-RBZFPXEDSA-N 419.271 3.750 50 1 HHGF COc1ccc(CN/C=C2\C=C(C=O)c3c(ccc4c(C)cc(=O)oc34)C2=O)cc1 102898186 KBNFZQDECWVLOB-FOWTUZBSSA-N 401.418 3.562 50 1 HHGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586973190 GORRYAFCWIQRRK-GFCCVEGCSA-N 422.348 3.860 50 1 HHGF CCOC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323218 QCCHNPBSPRMRAN-APWZRJJASA-N 423.234 3.587 50 1 HHGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449010 CZJWVCWQSLZJER-OWDMVUQNSA-N 421.902 3.532 50 1 HHGF Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1F 1857545556 WKUGGXSMLJTWPX-UHFFFAOYSA-N 402.422 3.564 50 1 HHGF Cc1nonc1[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952430 HQLQJGBWZWDOOA-KRWDZBQOSA-N 401.816 3.531 50 1 HHGF COc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 95808473 SRVYUKNVUHMQRT-HZHRSRAPSA-N 413.474 3.536 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(OC)cccc1OC)[C@@H](C2)C3=O 587414075 KFXQOTFWILMXKJ-RNODOKPDSA-N 419.271 3.750 50 1 HHGF COC(C)(C)[C@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586971279 QGRDAWJYBSJQKZ-SNVBAGLBSA-N 406.074 3.885 50 1 HHGF CCOC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669610 FLVCSWJAXJIPED-IQMYEBEASA-N 423.120 3.664 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccccc1NC(=O)c1ccccc1 618009498 ZAKWGGVIJGTMRM-UHFFFAOYSA-N 403.573 3.612 50 1 HHGF O=C(COc1ccc(F)cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285247 SFILBHXQCHWFJS-UHFFFAOYSA-N 409.486 3.567 50 1 HHGF O=C(NNC(=S)NCCCCC1CCCCC1)[C@H]1CNc2cc(Cl)ccc2O1 96285264 XQCKYQYVHNBEJY-GOSISDBHSA-N 424.998 3.759 50 1 HHGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccccc1 98082861 HQXRUOUVNDIVDN-BUVRLJJBSA-N 414.494 3.572 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)CC2=O 587460402 IGUILGOFBWHJII-QAPCUYQASA-N 419.827 3.841 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587423826 WGIXLIYBDWJUKR-WDUKFBBWSA-N 407.894 3.820 50 1 HHGF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NNC(C)C)[nH]c3ccc(Cl)cc23)c1 13704076 CXCUAHNJJFVYMU-UHFFFAOYSA-N 419.934 3.914 50 1 HHGF CSCC[C@@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O 101512712 NBXSYKFEHWPSFM-SWVCQTRFSA-N 418.478 3.773 50 1 HHGF CCc1ccc2c(c1)[C@@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C(C=O)=CO2 962732348 ZRUQHZGJVMNQLF-WIYYLYMNSA-N 401.384 3.614 50 1 HHGF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(COOC2)C[C@H]1CN1CCCC1 43260317 BCQHCRNFVBIJOR-INIZCTEOSA-N 413.345 3.571 50 1 HHGF O=C(O)Cc1ccc(CC[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 169370956 HFPJUWRQPGXQQX-XKRPHLHYSA-N 421.497 3.847 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)O2 587375916 WASCSSOJZKXHFT-QFBILLFUSA-N 404.260 3.676 50 1 HHGF O=c1cc(CCl)oc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1O 96922719 MGAYIPJBVFEKQD-UHFFFAOYSA-N 417.720 3.709 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnccn2)N1 587672825 IJDPPEPZGMVEAK-BJOHPYRUSA-N 415.104 3.551 50 1 HHGF CCc1ccc2c(c1)[C@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C(C=O)=CO2 962732346 ZRUQHZGJVMNQLF-NQIIRXRSSA-N 401.384 3.614 50 1 HHGF CC[C@@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@H](Cl)[C@@]1(C)OC 2356641527 STJJUUHNLFNKIU-MHAIDTMBSA-N 422.946 3.609 50 1 HHGF O=C(CCCC(=O)NN=Cc1ccccc1Cl)NN=Cc1ccccc1Cl 254047197 MVUGBTCJOLGFMC-UHFFFAOYSA-N 405.285 3.764 50 3 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587414712 WTQBVRZATPPYEY-VBKZILBWSA-N 417.255 3.504 50 1 HHGF C/C(=N\NC(=O)Nc1nc2ccc(CN3CCC(C)CC3)cc2s1)c1cnccn1 1857610752 OJZLAQLJJHYHKH-CVKSISIWSA-N 423.546 3.864 50 1 HHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587376900 YMKUIXYPLZRGQW-SFHVURJKSA-N 421.247 3.750 50 1 HHGF CN(C)CCSSCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 618007942 UWZDZQQRYXFAOH-UHFFFAOYSA-N 422.447 3.975 50 1 HHGF COc1cc2c(cc1OC)[C@@](CBr)(c1oc(C)nc1C)N(C)[C@@H](C)C2 962565679 IFZHCLDPMGMTSM-WLRWDXFRSA-N 409.324 3.824 50 1 HHGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372143 JOUPQRCFCLKRQD-JLCFBVMHSA-N 400.906 3.744 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1cccs1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587453816 ZSAJMRUXBZIXCK-RRUGBERISA-N 423.284 3.638 50 1 HHGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(N)=O 587497895 LKBWQFPMCRLUFN-JOCHJYFZSA-N 400.906 3.569 50 1 HHGF Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)C(=O)c1ccccc1 2166410 UMXGCKOKTUFPBQ-AFUMVMLFSA-N 415.449 3.521 50 1 HHGF O=C(N/N=C(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cc(O)c(O)c(O)c1 1772606800 NMVCRYRZUPXBTP-GOQCKXHESA-N 421.369 3.587 50 1 HHGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OC(F)(F)F)cc1F 1857590294 VFFBPUPBTZPRPV-QPSGOUHRSA-N 421.144 3.956 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 587737111 YGQJWKXJIZZWQT-APBUJDDRSA-N 406.226 3.980 50 1 HHGF COc1cc(O)c(C(=O)N/N=C(\C)c2cc3ccccc3[nH]2)cc1Br 95559450 WOINNOXMIAGNFT-UFFVCSGVSA-N 402.248 3.799 50 1 HHGF COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1O 95809360 OMTPZLUQBBFOML-HZHRSRAPSA-N 413.474 3.536 50 1 HHGF COc1ccc(OC)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372259 IBCITUFUPSGQJO-IBGZPJMESA-N 406.276 3.850 50 1 HHGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587454435 YYATWJQGRNBIRC-ADLMAVQZSA-N 423.284 3.581 50 1 HHGF CCOC(=O)C[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673110 KJRXKSFUKFKCSI-VFZGTOFNSA-N 423.120 3.666 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@H]2Br 587679578 GKQWVUYHGSDTDN-BCSUUIJWSA-N 405.105 3.834 50 1 HHGF C#CC=CC[C@H](Br)[C@]1(OC)C[C@@H]2O[C@H](CC)[C@@H](Br)C[C@H]2O1 2356634941 OWMHLDFUWHSEBI-XFHWEBQZSA-N 422.157 3.792 50 1 HHGF C[C@H]1C[C@H]([C@@H]2OC2(C)C)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 473117729 ZXPXKXRFCHFGDF-LSVHWCRBSA-N 416.558 3.619 50 1 HHGF O=C(NNc1nncc2ccccc12)[C@@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1 49070095 PTGBCDHADIQFTG-IAGOWNOFSA-N 402.376 3.818 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587684925 MZALPAPZZJTGRJ-GLEZIHRCSA-N 402.651 3.841 50 1 HHGF Cc1cc(O)c2c3c1OC(C)(C)[C@H](CCl)O[C@]31Oc3cccc(O)c3[C@@]2(O)[C@H]1C 2356867055 VQZGWGFOMLVNID-POMHZYNRSA-N 418.873 3.632 50 1 HHGF COC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587454436 YYATWJQGRNBIRC-ZMZPIMSZSA-N 423.284 3.581 50 1 HHGF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)OC(C)=O 238733037 BFNUDUOPAMBJLW-OYYQNHAWSA-N 408.491 3.770 50 1 HHGF Cc1cc(O)c2c3c1OC(C)(C)[C@@H](CCl)O[C@]31Oc3cccc(O)c3[C@@]2(O)[C@@H]1C 2356867054 VQZGWGFOMLVNID-LLONXLFPSA-N 418.873 3.632 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 15115466 GYCBSZGIYPNYAB-BCVCPVJGSA-N 414.498 3.918 50 1 HHGF endogenous,in-man O=C(COc1ccc(Cl)cc1)NNC(=S)N1CCC(Cc2ccccc2)CC1 96285261 KLKGFTJFQUHYQW-UHFFFAOYSA-N 417.962 3.579 50 1 HHGF COc1ccc(P(=O)(COc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 978364 CMPSCTDTSWQWPC-UHFFFAOYSA-N 413.366 3.962 50 3 HHGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 253674134 FRBMHRPOABKXCU-ZXNZYJFHSA-N 422.930 3.891 50 1 HHGF NNC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111807 RTMHRMYLTFPDFM-UHFFFAOYSA-N 416.325 3.989 50 1 HHGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O 28825501 WHGWJEWDUBCQJM-MGYIBXFFSA-N 416.514 3.886 50 1 HHGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586973376 IZEIRORKHDTGGA-LBPRGKRZSA-N 422.348 3.860 50 1 HHGF C[C@]12CCC(=NNC(N)=O)C[C@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 2356425193 IQHOBXJZVLLMTG-ZWFVOEKRSA-N 409.530 3.993 50 1 HHGF Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@H]1CCC/C1=N\NC(=O)CC#N 103016059 ZEPGRVWENMDWMZ-BHFHOQOQSA-N 402.882 3.512 50 1 HHGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CBr)[nH]c2c1 586972605 XPEKEVDPPNVTBE-UHFFFAOYSA-N 400.685 3.912 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CBr)n1 587876644 JQXODDUZYIFOCF-UHFFFAOYSA-N 412.114 3.994 50 1 HHGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1C 962975955 NQCZRDVWPQLYOL-KDOFPFPSSA-N 403.256 3.655 50 1 HHGF Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2c(C)nn(-c3ccccc3)c2n1 1772652519 VOJWCUFCUWAAAM-YDZHTSKRSA-N 414.425 3.709 50 1 HHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(C#N)c1OC 68152814 VDKFMHXNRQVNFK-WYMPLXKRSA-N 420.494 3.675 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)CC2=O 587460400 IGUILGOFBWHJII-MAUKXSAKSA-N 419.827 3.841 50 1 HHGF O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857746108 QVKHGQYSNZCRGA-LSHDLFTRSA-N 422.784 3.667 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)s1 43123297 YKNQFLHELMKANK-MSOLQXFVSA-N 409.902 3.940 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2CCOC2)N1 587672732 HNLYEXBTRYIIBN-BPYAMOTFSA-N 407.121 3.749 50 1 HHGF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(B(O)O)ccc1OCc1ccccc1 963241878 OFOSBOBFJDTNRR-SIBVEZHUSA-N 415.342 3.691 50 1 HHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccccc3O)cc2)o1 1772656507 FQEAWIUJHQGWJD-ZVHZXABRSA-N 414.421 3.882 50 1 HHGF CCCCC1=N[C@@H](Cl)[C@H](CO)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26736913 JGABCUJSSAEYFF-PZJWPPBQSA-N 424.936 3.864 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O 587414922 YWPRMCJKLLVHCN-MGPUTAFESA-N 401.256 3.668 50 1 HHGF COc1ccccc1/C=N/NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103168270 ZZCJRQQZVGQUMB-KIBLKLHPSA-N 420.856 3.811 50 1 HHGF C[C@@H](C(=O)O)N1C(c2ccco2)=C(/C(C=O)=C\c2ccco2)C(=O)/C1=C\c1ccco1 6010155 WKLHCENPFNYZSQ-SINHFACSSA-N 419.389 3.858 50 1 HHGF endogenous,in-man CSc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1NC(C)=O 962901624 JXOYVEBRLSZAJY-FXAWDEMLSA-N 422.909 3.587 50 1 HHGF CCSc1nc(N2CCOCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 13682766 PCYWYCYVYPEYJS-INIZCTEOSA-N 403.939 3.755 50 1 HHGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](Oc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101187049 USELZKKLESYBRF-WSJRITOKSA-N 404.459 3.972 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3C[C@@H](C)C[C@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 238765155 MMEHDJNMDYANLN-ILBWJYAPSA-N 400.471 3.528 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 587734314 QHJFONCSBWOZMQ-GIGQVBGESA-N 406.226 3.980 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 587737115 YGQJWKXJIZZWQT-DGIBIBHMSA-N 406.226 3.980 50 1 HHGF Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)cc2Br)c1 1857562240 AOANFKOJTSIOSQ-QGMBQPNBSA-N 412.081 3.990 50 1 HHGF COc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC 14953134 ORHYETPDBZUFJW-UHFFFAOYSA-N 407.470 3.896 50 1 HHGF COc1ccc(/C=N\NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1 103287463 HRUZJGPDSFYDEF-VROXFSQNSA-N 413.836 3.901 50 1 HHGF CN(C)/C=C(\C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325528 YOBISABUMFOVAY-GYUDITIXSA-N 400.837 3.837 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@@H](C)N4C(C)=O)[C@@H](C2)C3=O 587417495 NBMOFEWNEZYOII-VIQGIDMASA-N 411.885 3.874 50 1 HHGF CCOC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669614 FLVCSWJAXJIPED-KOSWAMCASA-N 423.120 3.664 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@@H](OO)C(=C)CC[C@H]2OC(C)=O 2356845581 OGKCGMBMXCCFPD-TVASPAASSA-N 408.491 3.722 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccnc1 40685697 CBUVZAOLGNLHCZ-VSRNGQBXSA-N 423.494 3.697 50 1 HHGF C[C@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@H]1Br 71317031 YAPATQLJHKARLV-DZSWIPIPSA-N 414.875 3.703 50 1 HHGF O=CC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 148924173 VGYIUIBYSYNRNZ-JVBYLJKUSA-N 410.602 3.868 50 1 HHGF N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604904 ABHNLLGTLQXNBA-KNQAVFIVSA-N 421.430 3.875 50 1 HHGF CCOC1=C/C(=C/NNC(=O)c2ccccc2OCc2ccc(F)cc2)C=CC1=O 38172357 JDVDNGUAPCLIOC-SAPNQHFASA-N 408.429 3.582 50 3 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](Br)CC(=O)O)O2 587411136 BCAUSXDHXMEJQL-CXAGYDPISA-N 410.289 3.738 50 1 HHGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587837661 JSFYTJCONZFWQX-PRWKNARSSA-N 418.262 3.850 50 1 HHGF CCc1ccc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 73141316 OMUNTYMFRSSYGW-UHFFFAOYSA-N 418.375 3.576 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587373659 RYBBGVOXYJZUHY-BZDSAALJSA-N 408.292 3.566 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2CCOC2)N1 587672764 HNLYEXBTRYIIBN-XDMRBOTDSA-N 407.121 3.749 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 587845536 NDZABORAMMJQJD-YPMLDQLKSA-N 423.307 3.991 50 1 HHGF Cc1ccc([C@@]2([C@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375479 SUKRWVUNYHKNOY-YLJYHZDGSA-N 418.287 3.985 50 1 HHGF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)CBr 1857540124 VHHSNGOKXOBWMN-UHFFFAOYSA-N 418.243 3.870 50 1 HHGF C=C1[C@H](OC(C)=O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@@]2(C)[C@H]1CC=C1CC(=O)NC1=O 2356535898 LNPKRCWKHZHXIZ-YCGPWUDHSA-N 407.938 3.907 50 1 HHGF O=C(O)[C@H](CC[S@@](=O)c1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 4624576 AMJPXGQNYYTBKB-DFXYEROKSA-N 422.506 3.945 50 1 HHGF in-man NNC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110271 PXWCVHNIQRACMB-UHFFFAOYSA-N 402.298 3.795 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)CC2=O 587459276 NQKNBOSRWQTUQJ-JLCFBVMHSA-N 401.890 3.949 50 1 HHGF COC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537117 ATMHOWNJJIWIKI-HNAYVOBHSA-N 407.260 3.913 50 1 HHGF C[C@H]1C[C@@H](N(C)C(=O)C[C@@H](C)C(Cl)Cl)C(=O)N2[C@@H](c3nccs3)CC[C@H]12 2356800892 RFFLZSIXQYFHRG-RYMFRWLXSA-N 418.390 3.872 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3C[C@H](C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 2356634797 MMEHDJNMDYANLN-NPOHONHTSA-N 400.471 3.528 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCCl)(c1scnc1C)CC2=O 587493304 DNKHUPLFXORWQF-HXUWFJFHSA-N 422.934 3.715 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100652156 OURMJLFLCWODMX-ZPXIVWIBSA-N 421.497 3.847 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@H]4C[C@@H](I)[C@H]3[C@@H]1CC[C@H]2O 299848356 NLNYYLUJHDCQJA-OLKWDIRQSA-N 402.316 3.983 50 1 HHGF O=C(N/N=C/c1ccccc1O)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473169249 MRARDWYLFOLQLX-YDZHTSKRSA-N 400.394 3.579 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587423824 WGIXLIYBDWJUKR-PXARDIRTSA-N 407.894 3.820 50 1 HHGF COc1cccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)c1 33894376 OIGFPNSBGRKLAV-FMCGGJTJSA-N 422.397 3.563 50 1 HHGF CC1(C)CC(N2CCCO[P@@]2(=O)N(CCCl)CCCl)CC(C)(C)N1[O] 101969885 ULWHZDRBRAFXCX-VWLOTQADSA-N 415.322 3.964 50 1 HHGF CCCCNS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586971811 ZHCCXJZDPZTRPP-AWEZNQCLSA-N 418.357 3.502 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)NC(=O)CO3)CC2=O 587458289 AADZIVSVRJMQNA-OAQYLSRUSA-N 401.846 3.775 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 587546335 WBAHVKONDLTQSI-QFBILLFUSA-N 400.774 3.724 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccncn2)N1 587671728 AKGKIVKCTHMMBR-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@H](Cl)[C@H]21 2356870837 XVDZSHAEMLKCIW-RXCQSBSCSA-N 419.905 3.545 50 1 HHGF Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)sc2c1 103282573 FZGYTBGHMVFHMD-HUUCEWRRSA-N 422.341 3.919 50 1 HHGF COC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321795 KRVBXOQOAIXSCU-ULMSCDGUSA-N 423.234 3.585 50 1 HHGF COc1cc([C@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC 2356590093 DGNJLNNHIGBXSV-XCLFUZPHSA-N 400.427 3.834 50 1 HHGF COc1cc(NC(=O)c2cc(NC(=O)[C@@H](C)Br)ccc2F)ccc1O 28954594 CECHHDGHVUJWDB-SECBINFHSA-N 411.227 3.514 50 1 HHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@@]13OO2 100860650 PAJGUOZUMGHCQI-DQHPBMIUSA-N 420.458 3.548 50 1 HHGF C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)OC)[C@@H]1[C@@]2(C)CC[C@@H](O[Si](C)(C)C)[C@@]14OC2=O 2356578685 AZSIYLVDBHSVHD-OZXWPAGUSA-N 416.590 3.694 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 1857623398 CLHOQFOFZHJBHD-IHMYRHRVSA-N 424.965 3.677 50 1 HHGF O=C(N/N=C/c1cccc(O)c1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473169335 NWBXUAVHIPGIAT-YDZHTSKRSA-N 400.394 3.579 50 1 HHGF COc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1 1857614409 MMDRDIMCTZBSFN-UHFFFAOYSA-N 406.442 3.541 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587429798 WZCYDNCECUCQGJ-LIRRHRJNSA-N 407.235 3.881 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@]31CCN(C(=O)OC(C)(C)C)C[C@H]1Cl 963039285 UKFMYVHYJXPTSN-VGSWGCGISA-N 417.937 3.833 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1cccc(N(C)C)c1 963630058 BIGKSZFEBYSVQE-QKKBWIMNSA-N 419.363 3.943 50 1 HHGF COc1cccc(OC)c1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587370412 BCLVYZRKAJNNHA-IBGZPJMESA-N 406.276 3.850 50 1 HHGF COc1cc2c(cc1OC)[C@]1(NCCc3ccc(F)c(C)c31)[C@H](Br)C2 962089270 GHXHNIMREKULPD-QUCCMNQESA-N 406.295 3.860 50 1 HHGF CC1=C2CC[C@](C)(O)[C@H](O)C[C@@H]2[C@](C)([C@@H]2CC[C@@](C)(O)[C@@H](Br)C2)C1 2356444090 KFLSWWBZSRPSLX-ZTGIPDDFSA-N 401.385 3.940 50 1 HHGF COc1ccc2onc(/C(C#N)=C/c3ccccc3OCCN3CCOCC3)c2c1 40646143 CDDMJRMZMIJWTE-NBVRZTHBSA-N 405.454 3.612 50 1 HHGF C[C@H](Br)[C@@]1([C@@H](C)Br)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017302 BNHMJUNMDRZPOK-ZAQLIGFBSA-N 416.157 3.502 50 1 HHGF Cc1cc(O)c2c3c1OC(C)(C)[C@@H](CCl)O[C@]31Oc3cccc(O)c3[C@@]2(O)[C@H]1C 2356867053 VQZGWGFOMLVNID-IILRZBFSSA-N 418.873 3.632 50 1 HHGF CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 263591121 CLHOQFOFZHJBHD-FGKBIKHYSA-N 424.965 3.677 50 3 HHGF COc1cc2c(cc1OC)[C@](CBr)(c1oc(C)nc1C)N(C)[C@@H](C)C2 962565674 IFZHCLDPMGMTSM-JEOXALJRSA-N 409.324 3.824 50 1 HHGF C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@]2(C=O)[C@@H](O)C[C@H]1C 35259352 LJKLFXDBDBCJPX-UYLBCASOSA-N 402.531 3.958 50 1 HHGF O=C(c1cccnc1Nc1nc2ccccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103282403 GWEWVMKJIOZRTH-KGLIPLIRSA-N 408.314 3.610 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587683893 IHPBSIBTEQTVEN-HUTHGQBESA-N 416.674 3.984 50 1 HHGF COC1=CN(C)C(CCl)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587686419 VBDLWGGMLVDFKC-BTDLBPIBSA-N 401.707 3.874 50 1 HHGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84688721 QXRSAFGUGKYGRR-IAGOWNOFSA-N 401.253 3.566 50 1 HHGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)N=C=S)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356818614 DURSZWYIMZPXJS-KVGJFGCYSA-N 423.667 3.559 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587682137 BHSYHHKMMMALIY-MLCYQJTMSA-N 424.701 3.536 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2Br)N1 587685330 SJRHLBOFJRSPIS-YIUPMNOESA-N 405.105 3.834 50 1 HHGF COc1cc2c(cc1OC)[C@](CCl)(c1ccc3c(c1)CCC(=O)N3)N(C)[C@H](C)C2 962642719 ZPXUWWSWMNEWCO-FATZIPQQSA-N 414.933 3.947 50 1 HHGF C[C@H](Br)[C@@]1(c2ccccc2F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033106 PLVKLPIVMHHILA-RDXCRGQUSA-N 403.295 3.906 50 1 HHGF COc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587415616 VTWUKVPAABSSKG-FOIQADDNSA-N 419.271 3.750 50 1 HHGF COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccccc2)O4)cc1OC 96934041 JZCAEGRXFGPXEW-JVSAHFFESA-N 410.422 3.807 50 1 HHGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1C[C@@H](I)[C@H]2O 253634438 NPYAZDAEDMDKIX-QZFSLIMTSA-N 400.300 3.903 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3)O2 587370419 BCUBZVAGDPTJJC-HXUWFJFHSA-N 415.287 3.718 50 1 HHGF O=C1C[C@@](CBr)(C(=O)CBr)Oc2c1ccc1c2CCCC1 587497452 CINOWHQSLSPPML-MRXNPFEDSA-N 416.109 3.628 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C(=O)CBr)ccc1O 963636438 QVEUZYZMBWOGRR-GIPWTMENSA-N 420.303 3.611 50 1 HHGF CCOC(=O)C[C@H](Br)[C@]1(C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962618712 DJOPNKYPSCUWRC-VRHCTWJESA-N 414.340 3.512 50 1 HHGF C[C@H]1[C@@H](Oc2ccc(CC(=O)O)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103179090 LUGHEWWLQIQOCP-LNWHELQXSA-N 418.486 3.901 50 1 HHGF Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc12 103280695 HDDLHLNMGKUISO-CABCVRRESA-N 422.341 3.919 50 1 HHGF COc1ccc(C=NNC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1 299872461 ZARBHRJRVDLIRO-LQQMQHLYSA-N 403.482 3.945 50 1 HHGF aggregator CCOC(=O)C[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674182 UGMPCYNTFWTUER-VFZGTOFNSA-N 423.120 3.666 50 1 HHGF COc1ccc2c(c1)Cc1c-2n[nH]c1C(=O)N/N=C/c1ccc(Br)cc1 1857609179 YYUDOWUHLFAEHP-UFFVCSGVSA-N 411.259 3.516 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](Br)C2=O)N1 587681325 KJMMVBPUPZAINR-UQHVFFSPSA-N 405.105 3.834 50 1 HHGF O=C(NNC(=S)Nc1ccc(F)cc1)c1nc(-c2cccc3ccccc23)no1 40876169 ABYNGISSSHBLSG-UHFFFAOYSA-N 407.430 3.660 50 1 HHGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1F 1772604276 OYXGNNWVFPQTMB-IBGZPJMESA-N 413.412 3.731 50 1 HHGF N#C/C(=C(/N)Sc1ccc(N)cc1N)c1cccc([C@H](O)c2ccc(C#N)cc2)c1 38145383 PXQHOEYBQIQFFE-UPPUFSLMSA-N 413.506 3.748 50 1 HHGF CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587376933 YWAXZCQLUUDAIT-UYAOXDASSA-N 418.287 3.765 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 587847882 MJLZAMAIHKTMQA-BCTVWOGZSA-N 417.731 3.765 50 1 HHGF C[C@H](Br)[C@@]1([C@@H](C)Br)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017158 BNHMJUNMDRZPOK-BBKSZCTCSA-N 416.157 3.502 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 587737119 YGQJWKXJIZZWQT-GIGQVBGESA-N 406.226 3.980 50 1 HHGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962917242 FIEIZDOSLGCNJR-JTSKRJEESA-N 418.896 3.791 50 1 HHGF CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376996 ZPCSLTUBGDJCES-IBGZPJMESA-N 403.276 3.791 50 1 HHGF COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@@H]1Br)[C@@H](C2)C3=O 587418048 RHXGCIHXDMDESM-KNBMTAEXSA-N 401.256 3.666 50 1 HHGF C[C@]12CCC(=NNC(N)=O)C[C@@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 2356425192 IQHOBXJZVLLMTG-BDBRHDPHSA-N 409.530 3.993 50 1 HHGF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 263591119 CLHOQFOFZHJBHD-CYQTYVQVSA-N 424.965 3.677 50 3 HHGF Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@@H]1CCC/C1=N\NC(=O)CC#N 103016056 ZEPGRVWENMDWMZ-IVXBMDAGSA-N 402.882 3.512 50 1 HHGF COc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 587426440 NSRFRTLQFMLYEI-KUHUBIRLSA-N 407.235 3.881 50 1 HHGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)c(F)c2)no1 621485767 KOSKJZYVVGGTRD-UHFFFAOYSA-N 401.504 3.683 50 1 HHGF O=CC1=C[C@@]23CCC=CCCCCN4CC[C@H]1[C@@]1(C4)C[C@@]4(CCC(=O)CCCN4[C@H]21)O3 2356799558 UOMOEHQIILHUAK-ABYVZCGDSA-N 424.585 3.637 50 1 HHGF CN1CN(Cc2ccccc2)CN(C[C@H](O)/C=C\CO[Si](C)(C)C(C)(C)C)C1=O 206394243 AGHNIHAFLNLLOY-KTZABMDBSA-N 419.642 3.710 50 3 HHGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 169698729 VFNOPSPJFUZFBO-VQTJNVASSA-N 412.405 3.737 50 1 HHGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C 95559934 FYPAIPDWDINBOL-UFFVCSGVSA-N 404.239 3.940 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O 587414923 YWPRMCJKLLVHCN-YWZLYKJASA-N 401.256 3.668 50 1 HHGF CCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857655834 GPHHJURHMHTPLG-INIZCTEOSA-N 423.425 3.591 50 1 HHGF CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CCc1c[nH]c2ccccc12 29050237 LKCLZOGMQMSPMG-UHFFFAOYSA-N 424.526 3.776 50 1 HHGF C[C@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H](O[C@@H]1S(=O)(=O)c1ccccc1)O4 103105940 RVHHVKGXJYWAFY-URBOQICFSA-N 408.516 3.668 50 1 HHGF CCCCC1=N[C@H](Cl)[C@@H](CO)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26736908 JGABCUJSSAEYFF-CTNGQTDRSA-N 424.936 3.864 50 1 HHGF C[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473088450 OBAQQFHITKAXNU-LLVKDONJSA-N 408.281 3.714 50 1 HHGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@]2([C@H]2C(=O)Nc3ccccc32)NC1=O 1857644079 GDLCAEYLXPCKEP-XXBNENTESA-N 414.852 3.649 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)CC2=O 587462279 XCJOPRSVKBALMG-OAQYLSRUSA-N 414.893 3.970 50 1 HHGF CCOC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323222 QCCHNPBSPRMRAN-QFBILLFUSA-N 423.234 3.587 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)[C@@H](C2)C3=O 587453241 QOLLSDAONZTIFN-RJVYXSBYSA-N 405.903 3.663 50 1 HHGF O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NN/C=C1\C=CC=CC1=O 13122170 FJGOAPDEKPZPLM-HEHNFIMWSA-N 410.477 3.807 50 3 HHGF COC(=O)c1cccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587414958 PYPQGKDHFHYROY-FOIQADDNSA-N 417.255 3.520 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587681710 ABUHNBRBRHKBLS-XTZNXHDOSA-N 424.701 3.536 50 1 HHGF C#Cc1cccc(Nc2cc(CN(CCCl)CCCl)nc3c(C#N)cnn23)c1 1772624236 AQOJSYDYVGHVHA-UHFFFAOYSA-N 413.312 3.605 50 1 HHGF CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(B(O)O)cc1)c1ccccc1 195518163 LZZXXSVAQFREQP-QPLCGJKRSA-N 415.342 3.676 50 1 HHGF CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(O)C(Cl)=C[C@@]3(C)O 2356786779 BBPWXVAERDTMPL-AHGUFZGUSA-N 400.140 3.529 50 1 HHGF CCCN1[C@H](c2cc(B(O)O)ccc2OCc2ccccc2)c2ccccc2C[C@H]1C 963241876 OFOSBOBFJDTNRR-BCHFMIIMSA-N 415.342 3.691 50 1 HHGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 13779067 MLGXHTVLQTVYMP-UHFFFAOYSA-N 403.417 3.982 50 1 HHGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccccc2)c2ccccc21 58581144 VRPGZRPJQFFCRH-QNGOZBTKSA-N 413.433 3.729 50 1 HHGF C[C@H](Br)[C@@]1(Cc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962923731 JRGCJMXZNGDALV-YCRPNKLZSA-N 401.348 3.756 50 1 HHGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c2)ccc1OC 73142040 JEAJHMPBGAMZKO-KUDIEGTJSA-N 424.497 3.946 50 1 HHGF Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)sc2c1 103282576 FZGYTBGHMVFHMD-CABCVRRESA-N 422.341 3.919 50 1 HHGF CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1 73258572 WMKYMEKYNODWLV-HXUWFJFHSA-N 416.418 3.773 50 1 HHGF COC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 586971858 ZHUQXZZHZJVRIH-NSHDSACASA-N 420.101 3.973 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](Br)C2=O)N1 587681316 KJMMVBPUPZAINR-BGFNQPPGSA-N 405.105 3.834 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(N)cc2)s1 42967215 UUEPHUWNJKWDEJ-ZWKOTPCHSA-N 424.917 3.522 50 1 HHGF N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1C(F)(F)F)N(CCCl)CCCl 102406060 NMKVYOCGAZOCKD-VWLOTQADSA-N 424.143 3.977 50 1 HHGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)cc1 587007464 DGKMSRNBOFCCTB-CYBMUJFWSA-N 400.287 3.891 50 1 HHGF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)[C@@H]21 2356870836 XVDZSHAEMLKCIW-LTTWPYNSSA-N 419.905 3.545 50 1 HHGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(OCC)cc1 100086786 MHPNZYSBHINWGO-AZZGVMCLSA-N 413.499 3.569 50 1 HHGF Nc1ccc(SSCCNC(=O)/C(Cc2ccc(O)c(Cl)c2)=N/O)cc1 26497831 FKNGYYDVLVQTNP-RCCKNPSSSA-N 411.936 3.557 50 1 HHGF O=C1c2cc3c(cc2-c2c1c1ccccc1c(=O)n2CCCBr)OCO3 28461260 TYGOSYPUSXICQX-UHFFFAOYSA-N 412.239 3.727 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587426456 NZILUHBWMHQPBT-ORAYPTAESA-N 407.235 3.881 50 1 HHGF CCCC[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008431 FYWVMNOHBDLESA-INIZCTEOSA-N 421.673 3.861 50 1 HHGF COC(=O)c1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372075 HIRSXDXUJATPSS-IBGZPJMESA-N 404.260 3.619 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cn1 587876590 IZXUPBSRSWPKBH-UHFFFAOYSA-N 412.114 3.994 50 1 HHGF CC=C(C=O)[C@H]1[C@H](OC(C)=O)[C@@H]2O[C@@]23[C@@H]2CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C 2356397418 CQIQFZVEWSZZEF-FRSJSSEXSA-N 416.558 3.824 50 1 HHGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(O)c1 2356461861 WOXXSXDXNWLLQQ-IUIQQOKXSA-N 414.498 3.567 50 1 HHGF COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 38153931 XBXYCRPMQUFHCB-KRWDZBQOSA-N 417.259 3.693 50 1 HHGF Cc1cccc(C[n+]2ccc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1 96284140 LYKFPRSXYAUKRQ-QFIPXVFZSA-N 422.464 3.655 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)CC2=O 587459278 NQKNBOSRWQTUQJ-PEBXRYMYSA-N 401.890 3.949 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CO)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43393457 DLZMRMBSLOXVDK-BWYZDKGISA-N 404.503 3.904 50 1 HHGF COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(Br)cc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c2c([nH]c3ccccc23)[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 962942909 CSXOJXILUHZMAS-WNSKOXEYSA-N 408.933 3.765 50 1 HHGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417919 QOHBNIMZLWEGSC-HQHPYACNSA-N 403.862 3.697 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1CCOC1 587537792 KFJLUTMYGCZBLJ-XGINMYPSSA-N 405.244 3.524 50 1 HHGF CCOC(=O)C[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674179 UGMPCYNTFWTUER-BJOHPYRUSA-N 423.120 3.666 50 1 HHGF CO[P@](=O)(c1cc(C)cc(CCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 206268212 KJQCBIWCQKNBKR-MUUNZHRXSA-N 415.817 3.560 50 1 HHGF in-vitro O=C(O)Cc1cccc(CC[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 253780714 LULNMGLDEMLBSW-HXUTWOOFSA-N 421.497 3.847 50 1 HHGF CS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C(\O)c2ccc(C(F)(F)F)cc2)cc1 100871074 MGFGAVKPSZALQL-NXVVXOECSA-N 410.373 3.540 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)O2 587386041 WZFIJIPWROKFGF-QFBILLFUSA-N 422.250 3.815 50 1 HHGF C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)OC)[C@@H]1[C@@]2(C)CC[C@H](O[Si](C)(C)C)[C@@]14OC2=O 2356578683 AZSIYLVDBHSVHD-AORADYHZSA-N 416.590 3.694 50 1 HHGF C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43523533 QODAKLHFUQUSQX-OHTSDLOESA-N 410.850 3.747 50 1 HHGF C#CC=CC[C@H](Br)[C@]1(OC)C[C@@H]2O[C@H](CC)[C@H](Br)C[C@@H]2O1 2356634939 OWMHLDFUWHSEBI-LGFJLYTPSA-N 422.157 3.792 50 1 HHGF CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(O)C(Cl)=C[C@]3(C)O 2356786782 BBPWXVAERDTMPL-SAXADEHPSA-N 400.140 3.529 50 1 HHGF C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)OC)[C@H]1[C@@]2(C)CC[C@H](O[Si](C)(C)C)[C@@]14OC2=O 2356578684 AZSIYLVDBHSVHD-NIIWBUOISA-N 416.590 3.694 50 1 HHGF O=C(CCCSCCCC(=O)NN=Cc1ccccc1)NN=Cc1ccccc1 17284828 CDWAGJPFFCBBKY-UHFFFAOYSA-N 410.543 3.581 50 3 HHGF O=C(O)c1ccc(/N=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2Cl)cc1 169720481 OBMWWSFXCPAKLH-HLHDEOROSA-N 410.735 3.657 50 1 HHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3c(cc2[nH]1)OCCCO3 587009651 OOMDJSNCEUEKGC-SFHVURJKSA-N 424.888 3.844 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCN4C(C)=O)([C@@H](C)Cl)[C@@H](C2)C3=O 587418226 SVPWMNFQVFFQFY-DFFZLKDPSA-N 411.885 3.874 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CCC[C@@H]2Br 587682714 NDSOVEDGQANNEI-OTDPEBBPSA-N 405.105 3.834 50 1 HHGF COc1ccc([C@]2(CBr)NCCc3cc(C)c(F)cc32)cc1[N+](=O)[O-] 962295230 CJZTZAJPIOKXJQ-SFHVURJKSA-N 409.255 3.835 50 1 HHGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@@H](C)Cl)cc1 40974660 DELPEKZVPULTPK-QRQCRPRQSA-N 423.900 3.665 50 1 HHGF C[C@@]1(CI)CO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43101029 CHDXYDXFQUPQHT-BMQFZULRSA-N 400.256 3.853 50 1 HHGF CCNC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299823446 GIXGZRNVPBQXPY-UHFFFAOYSA-N 408.571 3.831 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587373750 RYBBGVOXYJZUHY-WAAOWTOGSA-N 408.292 3.566 50 1 HHGF CC(=O)NN[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27328849 XTVWXAJXXHEWEV-NRFANRHFSA-N 420.469 3.678 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)c(F)c1 95808493 STKGGROKRMFUNZ-OEAKJJBVSA-N 401.438 3.666 50 1 HHGF O=c1cc(CCl)oc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1O 96922720 UCRLEVFOWMJOHQ-UHFFFAOYSA-N 417.720 3.709 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587414715 WTQBVRZATPPYEY-XOBRGWDASA-N 417.255 3.504 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587683902 IHPBSIBTEQTVEN-VVVCHXIZSA-N 416.674 3.984 50 1 HHGF Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)n4ccnc4c3)cc(C(C)C)c12 1857646958 UATKQFKLWHYELS-UHFFFAOYSA-N 412.885 3.850 50 1 HHGF CC(C)CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@H](c3nccs3)N2C1=O 2356805819 ZXZYMZDXGVCRAD-REWJHTLYSA-N 418.390 3.872 50 1 HHGF CCOC(=O)CC12C[C@H]3C[C@@H](CC(CC(=O)N/N=C/c4ccc([N+](=O)[O-])o4)(C3)C1)C2 653889471 CQPWNMSLTXIWJL-SAVBNMMUSA-N 417.462 3.568 50 1 HHGF COc1ccc2c(c1)cc(/C(C)=N\NC(=O)c1cc(Br)ccc1O)n2C 96903360 CAASQYNYHBPDKC-NHDPSOOVSA-N 416.275 3.809 50 1 HHGF CC1=NN(C(=O)CCl)[C@H](c2cc(Br)cc(Br)c2O)C1 653730308 UTRYZXBOQMHHOC-JTQLQIEISA-N 410.493 3.805 50 1 HHGF Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccccc4O)c3oc2c1C 103299301 DSEDCFGGTHYQIB-DHRITJCHSA-N 400.434 3.961 50 1 HHGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=O)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O 2356417260 WHGWJEWDUBCQJM-CCGLEDOGSA-N 416.514 3.886 50 1 HHGF C=N[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@H]2CC[C@]1(C)O 2356493730 DXNRKQZSDLZIAZ-UAJZKUBTSA-N 413.002 3.703 50 1 HHGF COc1cc2c(cc1OC)[C@](CBr)(c1oc(C)nc1C)N(C)[C@H](C)C2 962565676 IFZHCLDPMGMTSM-NSPYISDASA-N 409.324 3.824 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1cc4c(s1)CCN(C(C)=O)C4)[C@@H](C2)C3=O 587453986 UBZMDDLWDQSRRJ-BTYIYWSLSA-N 417.914 3.543 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCOCC1 587539660 XFGATXDNVYDOCB-FXAWDEMLSA-N 419.271 3.914 50 1 HHGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=O)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)O 2356417261 WHGWJEWDUBCQJM-HEIWLZIZSA-N 416.514 3.886 50 1 HHGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(NC(=O)OC(C)(C)C)cc1 95809073 HRZNXUDDXRHEHI-PXLXIMEGSA-N 405.495 3.997 50 1 HHGF O=C(N/N=C\c1cccnc1)c1cccc(NC(=O)c2cccc(Br)c2)c1 61971006 MFZZKMFKHRKGGC-QRVIBDJDSA-N 423.270 3.860 50 1 HHGF CC(C)C[C@H](N)C(=O)Nc1ccc(/C=C/C2=C(C#N)C(=C(C#N)C#N)OC2(C)C)cc1 71296474 VGGMHXBTFNNWPB-CLNPQZTCSA-N 415.497 3.942 50 1 HHGF CN1C=C(OCc2ccccc2)[C@@]2(C=C1CCl)NCCc1c(C(=O)O)cccc12 963135047 VYQQTXZGEOWAJS-QHCPKHFHSA-N 410.901 3.852 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](S(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103105959 RVHHVKGXJYWAFY-UIDINZOYSA-N 408.516 3.668 50 1 HHGF CCOC(=O)[C@@]1(CCBr)CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587414544 WFLNUJBMAPWISH-VOBQZIQPSA-N 423.303 3.700 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2Br)N1 587687175 XVXLMJWXXSQKAW-KBOAJJQZSA-N 405.105 3.834 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1[N+](=O)[O-] 95809023 HLXHWGFTIALAGF-PXLXIMEGSA-N 412.446 3.730 50 1 HHGF C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 253632635 CHDXYDXFQUPQHT-SRQBIAJPSA-N 400.256 3.853 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587682136 BHSYHHKMMMALIY-MGNBDDOMSA-N 424.701 3.536 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 587728643 FUBWRAPYWZNEBQ-APBUJDDRSA-N 406.226 3.980 50 1 HHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncccc1CBr 587875290 QVVKQXTWDBOGIY-UHFFFAOYSA-N 412.114 3.994 50 1 HHGF C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C=O)C(C=O)=C[C@H](OC(=O)CCC)C[C@@H]21 2356332905 LJKLFXDBDBCJPX-RWMKDCLRSA-N 402.531 3.958 50 1 HHGF O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 26164989 HCYPSQCFFZTSLP-OBJRLSRPSA-N 405.882 3.646 50 1 HHGF O=C(O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587546247 VFWPCHGBVPITHC-JXFKEZNVSA-N 400.770 3.779 50 1 HHGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1cc2cc(Cl)ccc2nc1Cl)c1ccncc1 1772588786 MHWSOGNFTAEWPC-LSDHHAIUSA-N 421.671 3.772 50 1 HHGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H](C)CCC[C@@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356788067 BVTHNPARSMPDCF-WPMGLJLWSA-N 408.491 3.578 50 1 HHGF Clc1ncc(I)c2nc(CCCCBr)[nH]c12 586972626 XWLVHHYBSRLGNW-UHFFFAOYSA-N 414.472 3.934 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)O2 587386029 WZFIJIPWROKFGF-APWZRJJASA-N 422.250 3.815 50 1 HHGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2N1 587498827 PDIKSGPSRTXXKV-DHIUTWEWSA-N 414.933 3.724 50 1 HHGF COc1cc2c(cc1OC)[C@@](CBr)(c1oc(C)nc1C)N(C)[C@H](C)C2 962565681 IFZHCLDPMGMTSM-WYRIXSBYSA-N 409.324 3.824 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772580030 HZWGTWVWYRMEFH-RDSVDHQXSA-N 406.450 3.987 50 1 HHGF CCCCC1=C(Br)[C@](OC)(C(Br)Br)OC1=O 49888747 XZEZVRZGEWQEOF-SNVBAGLBSA-N 420.923 3.841 50 1 HHGF biogenic COC(=O)c1ccc(C(=O)OCCN(C)c2ccc(C=C(C#N)C#N)c(C)c2)cc1 84403469 MNYDIGBLSVOKCC-UHFFFAOYSA-N 403.438 3.505 50 1 HHGF O=C1c2ccc(O)cc2O[C@](/C=C\N2CCOCC2)(CCl)[C@@H]1c1ccc(F)cc1 587330044 ZZBQJNCGOXERJE-QJSLZQALSA-N 417.864 3.714 50 1 HHGF O=C(N/N=C(/N=N/c1ccccc1[N+](=O)[O-])c1ccccc1)c1cc(O)c(O)c(O)c1 1772572121 MNGSWZUSNFMVNE-GOQCKXHESA-N 421.369 3.587 50 1 HHGF Cc1cccc(C[n+]2cccc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2)c1 96284123 YSKRUFBOQNVROA-JOCHJYFZSA-N 422.464 3.655 50 1 HHGF COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587416503 AKXIOPGWUDCODR-VGOFRKELSA-N 417.889 3.558 50 1 HHGF Cc1cccc(C[n+]2cccc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2)c1 96284122 YSKRUFBOQNVROA-QFIPXVFZSA-N 422.464 3.655 50 1 HHGF CN(C)C(=O)/C(C#N)=C/c1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1 149015825 MOHNSLATPQQJJZ-MHWRWJLKSA-N 401.470 3.849 50 1 HHGF Cc1cc2c(cc1O)[C@](CBr)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963513110 YEYDEMSZXQZZGV-YJBOKZPZSA-N 410.695 3.591 50 1 HHGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1c1ccccc1 1772592214 BTPRTSVTAHPKDI-HEHNFIMWSA-N 410.282 3.539 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@H](C)N4C(C)=O)[C@@H](C2)C3=O 587417491 NBMOFEWNEZYOII-GRUTVOCESA-N 411.885 3.874 50 1 HHGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3ccc(N)cc32)n(C)c1 1652885 ZEHUETDVFMNOCM-OWNNVSBGSA-N 400.910 3.728 50 1 HHGF COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@@H]1Br)[C@@H](C2)C3=O 587418050 RHXGCIHXDMDESM-RIFZZMRRSA-N 401.256 3.666 50 1 HHGF CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21 4744082 CLHOQFOFZHJBHD-NLCGFYSRSA-N 424.965 3.677 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@@H]2Br 587682717 NDSOVEDGQANNEI-SXKNGAHQSA-N 405.105 3.834 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnccn2)N1 587672828 IJDPPEPZGMVEAK-VFZGTOFNSA-N 415.104 3.551 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 587734360 QXNUWNBACCIFJG-DGIBIBHMSA-N 406.226 3.980 50 1 HHGF CC(C)CN(NC(=O)C(C)(C)c1ccccc1)c1nc(C#N)ncc1Br 58575629 TXFDZDDTYVHTDQ-UHFFFAOYSA-N 416.323 3.582 50 1 HHGF C[C@@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)NCCc2ccc(C(=O)N(C)C)cc21 962933205 SLTUPIMYKLRFCG-FATZIPQQSA-N 421.932 3.629 50 1 HHGF Cc1[nH]nc2c1[C@](c1cc(N3CCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772639730 LSEDFOBXCYEJLQ-FQEVSTJZSA-N 417.435 3.975 50 1 HHGF COc1cc(F)c(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC 72108959 YRIYVPGUXGNKLT-FOKLQQMPSA-N 413.474 3.942 50 1 HHGF COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)s1 587408672 CZSVEDWSTYSEAM-KRWDZBQOSA-N 410.289 3.681 50 1 HHGF CCC(=O)N1CCc2cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587418551 UASFBGNVIVNTHD-HXOBKFHXSA-N 411.885 3.876 50 1 HHGF COc1cc2c3c(n(CCCCl)c(=O)c2cc1OC)-c1ccc(C#N)cc1C3=O 28711260 RQABYVCEIGEDGO-UHFFFAOYSA-N 408.841 3.731 50 1 HHGF O=C(O)CCc1ccccc1C[C@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195217713 OURMJLFLCWODMX-DLGXVNBQSA-N 421.497 3.847 50 1 HHGF CCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 35969485 FDQHGPBWDBHZML-UHFFFAOYSA-N 423.425 3.978 50 1 HHGF COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 38153930 XBXYCRPMQUFHCB-QGZVFWFLSA-N 417.259 3.693 50 1 HHGF COc1cc2c3c(c1)O[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587423822 WGIXLIYBDWJUKR-HTZUNMPGSA-N 407.894 3.820 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@@H]2Br 587679575 GKQWVUYHGSDTDN-AFEMSUNCSA-N 405.105 3.834 50 1 HHGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@H](OO)C(=C)CC[C@H]2OC(C)=O 2356845579 OGKCGMBMXCCFPD-CQXMTJGFSA-N 408.491 3.722 50 1 HHGF Cn1c(SSc2c(C(N)=O)c3ccccc3n2C)c(C(N)=O)c2ccccc21 13740082 ONLDCBOXACFNKL-UHFFFAOYSA-N 410.524 3.667 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)CC2=O 587459393 IJSOLLMYIUKPIY-JOCHJYFZSA-N 414.889 3.635 50 1 HHGF CCCCCCC(=O)Oc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 142521174 SFASSZSCIMLGNK-AQTBWJFISA-N 415.442 3.733 50 1 HHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587010017 ZGOYCWRTTCFRJP-INIZCTEOSA-N 415.812 3.730 50 1 HHGF O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587322476 HFKDMICMPJZZRL-SCTDSRPQSA-N 407.235 3.813 50 1 HHGF COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C/C=O)cc2OC)cc(OC)c1OC 141641628 DJISBQYYAQAYBP-KIUWMYQTSA-N 416.470 3.952 50 1 HHGF COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccccc3)c(C)n2)cc1OC 1857555646 DVGIXPXEFSJHFO-UHFFFAOYSA-N 422.510 3.706 50 1 HHGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@@H](C)Cl)cc1 40974664 DELPEKZVPULTPK-IVZQSRNASA-N 423.900 3.665 50 1 HHGF CC(C)(C)[C@]1(CNC(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498977 KSBIGUWDGMMGKO-HXUWFJFHSA-N 408.336 3.827 50 1 HHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1nnc(-c2ccc(F)cc2)o1 963630098 BMIRQRIMTIURGV-XUSGNXJCSA-N 417.868 3.910 50 1 HHGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)CBr)c1)[C@@H](C2)C3=O 587414526 WDAFPQQAZBOMKH-MGPUTAFESA-N 416.271 3.691 50 1 HHGF N#CSc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)cc1F 587892949 HRZIHZGDEZBJEC-UHFFFAOYSA-N 408.285 3.998 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)NC(=O)CS4)[C@@H](C2)C3=O 587450024 CXYVTZFPNBWRAZ-RBZFPXEDSA-N 401.871 3.621 50 1 HHGF COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1Cl 33394060 QIFNUHVMGALVSB-MSXFZWOLSA-N 409.829 3.727 50 3 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587411979 GNUPREPCOKEGHQ-OXJNMPFZSA-N 402.288 3.799 50 1 HHGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587419639 FQIFWPFZVACHJI-SPLOXXLWSA-N 403.862 3.699 50 1 HHGF Cc1cc(O)c2c3c1OC(C)(C)[C@H](CCl)O[C@]31Oc3cccc(O)c3[C@@]2(O)[C@@H]1C 2356867052 VQZGWGFOMLVNID-CUIDYCPUSA-N 418.873 3.632 50 1 HHGF C[C@H]1C[C@H]([C@H]2OC2(C)C)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 473117710 ZXPXKXRFCHFGDF-CDLKOQLESA-N 416.558 3.619 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)O)co2)N1 587685152 NZRZEXOMJBMGRP-BCTVWOGZSA-N 402.647 3.896 50 1 HHGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(=O)oc2ccc(Cl)cc12 1857632169 GQUZWMSOEJIHHA-GOSISDBHSA-N 418.792 3.771 50 1 HHGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccc(O)c(C(N)=O)c1 963221301 ABUONSVJOBOWPV-QKKBWIMNSA-N 417.347 3.786 50 1 HHGF CCN(CC)Cc1ccc(NC(=O)NN=C(c2ccccn2)c2ccccn2)cc1 1857616061 MGLRPEPTKHBIOL-UHFFFAOYSA-N 402.502 3.893 50 1 HHGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1NC1CC1 13491842 ZOFFROQGAQVLFU-CQSZACIVSA-N 414.893 3.869 50 1 HHGF COC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587545166 QBHMEYWHMKINSK-UWJYYQICSA-N 414.797 3.868 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnccn2)N1 587673565 OHIBRCPYWVNECR-RFAUZJTJSA-N 415.104 3.551 50 1 HHGF CN(C)CCSSCCNC(=O)c1ccc2c(-c3ccccc3)n[nH]c2c1 618017732 OTTOOZQQANBBKF-UHFFFAOYSA-N 400.573 3.903 50 1 HHGF Cc1cc2c(cc1F)[C@@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)NCC2 962299374 NIOZZTYFBRJJRJ-XCLFUZPHSA-N 422.294 3.770 50 1 HHGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2c[nH]c3ccncc23)N1 962971763 SWIHYGDLHBDQHY-KSSFIOAISA-N 412.223 3.576 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1cccc(C(=O)O)c1 963632591 GCBPAVBSTVXXSX-YUNKPMOVSA-N 420.303 3.575 50 1 HHGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C\C1=Cc2ccccc2O[C@@H]1C 33409100 SNOKPOBGFORGGR-FDCYYOBASA-N 401.507 3.892 50 1 HHGF N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604905 ABHNLLGTLQXNBA-SIKLNZKXSA-N 421.430 3.875 50 1 HHGF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCBr)c(OC)c1)[C@@H](C2)C3=O 587413049 LZHNVPLTZRKBPS-XOBRGWDASA-N 419.271 3.966 50 1 HHGF COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)[C@@H](C2)C3=O 587453230 QOLLSDAONZTIFN-KAFSRPFYSA-N 405.903 3.663 50 1 HHGF COC(=O)c1coc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587685443 QQZIFPUYQCJZFP-XYZCENFISA-N 416.674 3.984 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 263591122 CLHOQFOFZHJBHD-YEWWXQSSSA-N 424.965 3.677 50 3 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc(O)c(C)c1 963635700 NSMZSZNLXCUGLB-RNODOKPDSA-N 406.320 3.891 50 1 HHGF CC(C)(C)c1cc(S(=O)(=O)/C=C/C#N)ccc1OCC(=O)NC1CCCCC1 147593893 BMOBALFPDKFXBO-NTUHNPAUSA-N 404.532 3.623 50 1 HHGF C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(NC(=O)CCl)cc1C2=O 206584388 QHLRTUPRWCETSK-UHFFFAOYSA-N 411.841 3.769 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1COc3ccccc3O1)O2 587371667 FMPFDOSQWZOYCK-IEBWSBKVSA-N 404.260 3.516 50 1 HHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@]13OO2 100860646 PAJGUOZUMGHCQI-CYOIZWBSSA-N 420.458 3.548 50 1 HHGF Oc1nc(O)c2ccc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc2n1 587368680 VDLGMVVPTAARCW-QMMMGPOBSA-N 400.154 3.532 50 1 HHGF C[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N=C=O 587884917 RYODWOCPUIEFAV-OAHLLOKOSA-N 401.293 3.971 50 1 HHGF Cc1c(O)ccc2c1[C@](CCl)(c1ccc(Br)cc1)N[C@H](C(=O)O)C2 963474485 VAXPVVBIAAMFSP-KSSFIOAISA-N 410.695 3.544 50 1 HHGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccnc1 40685694 CBUVZAOLGNLHCZ-SQYHMDOVSA-N 423.494 3.697 50 1 HHGF CC(C)CN(NC(=O)c1cncc(-c2ccccc2)c1)c1nc(C#N)ncc1Cl 58576319 PMUPZSHALRYXBU-UHFFFAOYSA-N 406.877 3.871 50 1 HHGF O=C1C(O)=C([C@@H](NCCCCl)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 653913880 NHXDNISUOYGAOM-KRWDZBQOSA-N 400.818 3.746 50 1 HHGF COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc3ccccc3c2)c(OC)c1 101151130 AIOFEWUKUUDTLJ-MFKUBSTISA-N 405.454 3.992 50 3 HHGF C=C1[C@@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)OC)[C@H]1[C@]42OC(=O)[C@]1(C)CC[C@H]2O[Si](C)(C)C 238745151 AZSIYLVDBHSVHD-CPSANMLCSA-N 416.590 3.694 50 1 HHGF O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12728965 LOSARZLAJAULKL-FMCGGJTJSA-N 419.372 3.944 50 1 HHGF NNC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586976567 WDLOOBOYRPARAK-UHFFFAOYSA-N 400.063 3.903 50 1 HHGF O=C(O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 33552038 LASJNALMRRKSKO-MXAYSNPKSA-N 410.433 3.791 50 1 HHGF C/C(=N\NC(=O)c1cc(I)ccc1O)c1cc2ccccc2[nH]1 95563610 VYMVGKRUAUFWDI-KEBDBYFISA-N 419.222 3.632 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CBr)(C(C)(C)C)CC2=O 587456087 KKOICOWIKJJSKW-LJQANCHMSA-N 412.324 3.606 50 1 HHGF CCOC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587669292 CNGZSXWOTDBFEH-KEMUVXCRSA-N 423.120 3.664 50 1 HHGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1C 962976664 NQCZRDVWPQLYOL-RDTXWAMCSA-N 403.256 3.655 50 1 HHGF Cc1[nH]nc2c1[C@@H](c1ccc([C@@H]3NCCc4c3[nH]c3ccccc43)cc1)C(C#N)=C(N)O2 1772620198 HIYOWPYKCWCHQD-VXKWHMMOSA-N 422.492 3.653 50 1 HHGF C[C@H](C(=O)O)N1C(=Cc2ccco2)C(=O)C(C(C=O)=Cc2ccco2)=C1c1ccco1 2356285557 WKLHCENPFNYZSQ-CQSZACIVSA-N 419.389 3.858 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43379622 KXRNHNFDIJHXPH-BFJMQZIRSA-N 408.466 3.665 50 1 HHGF COCCOc1nc(-c2ccc(C)c(C)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653880683 SRMRSUKHCBTPLT-UHFFFAOYSA-N 414.893 3.754 50 1 HHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1O 34341845 ITXNVMBWEBJRCO-OAHLLOKOSA-N 412.243 3.863 50 1 HHGF O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)c1cc(-c2ccccc2)nc2ccccc12 169693148 PGMIZVDQTRNUDJ-ZVHZXABRSA-N 411.397 3.653 50 1 HHGF COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(Br)cc41)[C@@H](C2)C3=O 587416439 AZZJDOUQEPNICI-YWZLYKJASA-N 410.223 3.900 50 1 HHGF O=C(NO)c1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 95809702 MEPQLESCGXAHQY-AFUMVMLFSA-N 412.449 3.573 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CCC[C@H]2Br 587682712 NDSOVEDGQANNEI-BGFNQPPGSA-N 405.105 3.834 50 1 HHGF Nc1ccc(C(=O)N/N=C\C2=C/C(=N/Nc3cccc4ccccc34)C=CC2=O)cc1 100513888 SWMZZXYABSZWGH-BIJOBXPXSA-N 409.449 3.671 50 3 HHGF Cc1c(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)ccc2c1C[C@H](C)O2 103203113 NVJVBQWXDMRGDQ-ZDUSSCGKSA-N 411.458 3.812 50 1 HHGF CC1(C)[C@@]23C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(O)C(Cl)=C[C@]3(C)O 2356786781 BBPWXVAERDTMPL-RAEPBPDWSA-N 400.140 3.529 50 1 HHGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C 96903365 FYPAIPDWDINBOL-FBHDLOMBSA-N 404.239 3.940 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NS(C)(=O)=O)cc1)CC2=O 587487109 MXXCHLPDVQXUEW-FQEVSTJZSA-N 423.918 3.816 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587373660 RYBBGVOXYJZUHY-OWCDTVLYSA-N 408.292 3.566 50 1 HHGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)CC2=O 587460404 IGUILGOFBWHJII-YJBOKZPZSA-N 419.827 3.841 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)cs2)N1 587844470 AQVVMRWEJMRXAG-BCTVWOGZSA-N 417.731 3.765 50 1 HHGF O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cc(O)c(O)c(O)c1 653914379 PLRYWGDTNMNKQE-FOKLQQMPSA-N 412.829 3.800 50 1 HHGF CC(=O)c1ccc2c(c1)[C@H](C(Cl)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624561 FPIBDMMVGNMHGK-UONOGXRCSA-N 402.274 3.980 50 1 HHGF N#CSC[C@]1(c2sccc2Br)c2ccsc2CCN1C(N)=O 962713907 PWGYFIXERBUANJ-CQSZACIVSA-N 414.375 3.967 50 1 HHGF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587837660 JSFYTJCONZFWQX-GIPWTMENSA-N 418.262 3.850 50 1 HHGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1 962978549 RQIMLUVJSOKULM-SUMWQHHRSA-N 408.178 3.978 50 1 HHGF C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101923051 UOSDMDJUWHYBBL-HQAGWOMRSA-N 417.458 3.622 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2Br)N1 587687174 XVXLMJWXXSQKAW-BKQRNIBNSA-N 405.105 3.834 50 1 HHGF O=CC1=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2OC1 587884866 SWGQFJKVGULCAA-UHFFFAOYSA-N 400.261 3.679 50 1 HHGF O=C(CCl)Nc1ccc(SCC(=O)Nc2ccc(Br)cn2)cc1 96908521 JCVCSATZCPNCNH-UHFFFAOYSA-N 414.712 3.752 50 1 HHGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449012 CZJWVCWQSLZJER-PSGMQZRDSA-N 421.902 3.532 50 1 HHGF CC(C)NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27634471 VWQWDMUGKROOMH-UHFFFAOYSA-N 403.660 3.750 50 1 HHGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=O)[C@]3(C)CC[C@H]2[C@]1(C)C(=O)O 2356417259 WHGWJEWDUBCQJM-AFSPJAQKSA-N 416.514 3.886 50 1 HHGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(C[C@H](O)CN(C)C)c2ccccc12 95593457 HRFWBDGUUMUKRE-GFCAVMEOSA-N 424.589 3.947 50 1 HHGF NC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324865 ANQVUBVSIPSNBQ-GHTZIAJQSA-N 415.804 3.716 50 1 HHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cccc(O)c3)cc2)o1 1772608803 HFWNEOPAQFSSIT-ZVHZXABRSA-N 414.421 3.882 50 1 HHGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 15115448 ISKWRTCZWOXOOF-ZBWUDTOTSA-N 414.498 3.567 50 1 HHGF endogenous,in-man COC(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371843 GIXKPEWBNZKRNG-LJQANCHMSA-N 404.260 3.619 50 1 HHGF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(O)[C@@H](Cl)[C@@H]32)O1 2356810900 BCMWNJKZCOJCHP-CTHUFFSTSA-N 401.035 3.695 50 1 HHGF COc1cccc2c3c(cnc12)CCN[C@@]31CCN(C(=O)OC(C)(C)C)C[C@@H]1Cl 963039277 UKFMYVHYJXPTSN-HTAPYJJXSA-N 417.937 3.833 50 1 HHGF COc1cc2c3c(c1)O[C@](c1cccs1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587453818 ZSAJMRUXBZIXCK-SRBZOADZSA-N 423.284 3.638 50 1 HHGF COC(=O)c1coc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587683903 IHPBSIBTEQTVEN-XLFHBGCDSA-N 416.674 3.984 50 1 HHGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411205 BWIYIIAOBLWVJG-HNAYVOBHSA-N 408.907 3.632 50 1 HHGF O=C(O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587546252 VFWPCHGBVPITHC-UZLBHIALSA-N 400.770 3.779 50 1 HHGF COc1ccc([C@@]2(CBr)NCCc3cc(C)c(F)cc32)cc1[N+](=O)[O-] 962295227 CJZTZAJPIOKXJQ-GOSISDBHSA-N 409.255 3.835 50 1 HHGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@H](C(=O)O)Cc2cccc(F)c21 962905240 CZYYUJRAGLDNOD-OXJNMPFZSA-N 417.278 3.853 50 1 HHGF C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCC)C=C(C=O)[C@@]2(C=O)[C@@H](O)C[C@H]1C 2356332906 LJKLFXDBDBCJPX-ZABFYIBNSA-N 402.531 3.958 50 1 HHGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(Cl)cc1Cl 103232050 RPYCJVRLIBRBGS-DNTJNYDQSA-N 408.270 3.681 50 1 HHGF C[C@H](Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=C=O 587879240 MWCYEDLUZGRURB-OAHLLOKOSA-N 401.293 3.971 50 1 HHGF N#Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)cc2Br)c1 1857564653 UFSQIGHDFIKFDA-UFWORHAWSA-N 423.064 3.553 50 1 HHGF COc1ccc(C2=NN(C(=O)[C@@H](C)Br)[C@H](c3ccco3)C2)cc1OC 43022074 YCOBSAXFCFOFSB-RISCZKNCSA-N 407.264 3.758 50 1 HHGF COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333374 VEXJFXWURIEQCV-URLQWDBASA-N 414.763 3.675 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 587734358 QXNUWNBACCIFJG-APBUJDDRSA-N 406.226 3.980 50 1 HHGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687760 HTZVRQVXSXHSDA-CQLKUDPESA-N 415.690 3.605 50 1 HHGF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2c(C(=O)Cl)cccc21 963528550 UIBQIXWIVUUFEI-UUOWRZLLSA-N 419.864 3.951 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 15115470 GYCBSZGIYPNYAB-XYCLXXKKSA-N 414.498 3.918 50 1 HHGF endogenous,in-man COc1ccc2c(c1)CC[C@H](Br)[C@@]21NCCc2c1c(C(C)C)nn2C 962908065 KFKUPHMJUQUBDR-PXNSSMCTSA-N 404.352 3.651 50 1 HHGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 169698731 VFNOPSPJFUZFBO-WOJBJXKFSA-N 412.405 3.737 50 1 HHGF COc1cc(O)c(C(=O)NN=C(C)c2cc3ccccc3n2C)cc1Br 261106256 HMIICCGUWAUSCK-UHFFFAOYSA-N 416.275 3.809 50 1 HHGF O=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 33406691 VMGJUCHSMQOZGY-NHDPSOOVSA-N 421.450 3.591 50 1 HHGF O=S(=O)(O)SCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 136130251 ASCJKGRFCQMKQA-UHFFFAOYSA-O 417.512 3.907 50 1 HHGF CC(=O)NCCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372511 MBLIWFQYNRCINQ-JOCHJYFZSA-N 400.906 3.745 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](O/C=C/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911572255 ZLNIHQITZBVPBD-OARQLUGPSA-N 402.487 3.997 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(N)cc2)s1 42967219 UUEPHUWNJKWDEJ-QZTJIDSGSA-N 424.917 3.522 50 1 HHGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 101413353 FRBMHRPOABKXCU-SEVLPDGMSA-N 422.930 3.891 50 1 HHGF C=CCNC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299823325 FCXFXQHOOFNSAO-UHFFFAOYSA-N 420.582 3.998 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](Br)C2=O)N1 587677532 AWRVUUBZFDJQMS-UYNUJQBQSA-N 405.105 3.834 50 1 HHGF COC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321786 KRVBXOQOAIXSCU-HDMZQJPESA-N 423.234 3.585 50 1 HHGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cc(O)cc(O)c3)cc2)nc2ccccc21 1857628495 GZKGVWCWXFVWOC-MFKUBSTISA-N 410.433 3.512 50 1 HHGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1ccc(N2CCOC2=O)cc1 963257355 IPNWEEYZFUEEAJ-HXUWFJFHSA-N 407.297 3.933 50 1 HHGF CC(C)[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 2364233 MNLCOCZNADTZDN-CYBMUJFWSA-N 408.321 3.648 50 3 HHGF C/N=C(\S)SSC(=S)NC/N=C(\S)SS/C(S)=N/C 43356700 XDKACNSRUUDVLF-UHFFFAOYSA-N 408.737 3.698 50 1 HHGF CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 85635072 GYCBSZGIYPNYAB-UGEQGYOESA-N 414.498 3.918 50 1 HHGF in-man CC(C)CN(Cc1ccc(Cl)cc1OS(C)(=O)=O)C(=O)/C=C/[C@H](C)Cl 103286564 NJIWLJGPQPNIQD-LJLILKBBSA-N 408.347 3.847 50 1 HHGF COc1cc2c(cc1OC)[C@]1(NCCc3ccc(F)c(C)c31)[C@@H](Br)C2 962089260 GHXHNIMREKULPD-ICSRJNTNSA-N 406.295 3.860 50 1 HHGF C=CC(C)=CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@@]2(C=O)[C@@H](O)C[C@H]1C 2356337973 JNCWBVCCDFJVEI-MAJKQMIXSA-N 402.531 3.958 50 1 HHGF CC[C@@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@H](Cl)[C@]1(C)OC 2356641528 STJJUUHNLFNKIU-MMOSDQNESA-N 422.946 3.609 50 1 HHGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@@H](O)CC(C)=CCC=C(C=O)[C@@H]1COC(C)=O)OC(C)=O 2356793849 HOVZFWJLMRWNLW-KELSAIANSA-N 420.546 3.932 50 1 HHGF CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 45336262 ACAMZSYTMVQLCS-HXCVSQATSA-N 401.894 3.643 50 1 HHGF COc1cc(C)ccc1[C@]1(CBr)NC[C@H]2CC(=O)N(C)c3cccc1c32 963035683 SPRDTLZDRMPIFM-SZNDQCEHSA-N 415.331 3.695 50 1 HHGF NC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615185 WVYVKTRZSQTHMJ-UZLBHIALSA-N 415.854 3.649 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2Br)N1 587685323 SJRHLBOFJRSPIS-BKQRNIBNSA-N 405.105 3.834 50 1 HHGF CC(C)=CCN1C(=O)/C(=N/NC(=O)c2cccc(Br)c2)c2ccccc21 1857769859 IECQOKUWUOQIJF-RELWKKBWSA-N 412.287 3.896 50 1 HHGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587376930 YWAXZCQLUUDAIT-ICSRJNTNSA-N 418.287 3.765 50 1 HHGF COc1ccc(OC(F)(F)F)cc1C(=O)NCCCSSCCN(C)C 618008868 MLBLSUPLISEZSI-UHFFFAOYSA-N 412.499 3.657 50 1 HHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 962942901 CSXOJXILUHZMAS-CMJOXMDJSA-N 408.933 3.765 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2Br)N1 587685328 SJRHLBOFJRSPIS-UKXDHYTESA-N 405.105 3.834 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cncnc2)N1 587673573 OMHXYBQMDFRXNP-PSLIRLAXSA-N 415.104 3.551 50 1 HHGF Cc1nc2cc(C(=O)N3CCN(C(=O)C(Cl)Cl)CC3)ccc2n1C1CCCC1 203474928 ZKAAENIJUPBGNY-UHFFFAOYSA-N 423.344 3.548 50 3 HHGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3ccc(N)cc32)n(C)c1 1652883 ZEHUETDVFMNOCM-IZPAUZPXSA-N 400.910 3.728 50 1 HHGF CCOC(=O)C[C@H](Br)[C@]1(C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618713 DJOPNKYPSCUWRC-XFHNUULXSA-N 414.340 3.512 50 1 HHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(C(=O)O)c1 95808514 XAWCAJCVRWDBER-HZHRSRAPSA-N 411.458 3.520 50 1 HHGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CBr)[nH]c2c1 586972120 HCCCBXSPPAAPOQ-UHFFFAOYSA-N 400.685 3.912 50 1 HHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC[C@H](N)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857547146 RWYSMHCCTNKTEL-FMIHUJSHSA-N 403.519 3.911 50 1 HHGF CC(C)C[C@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618012668 VMDNIZYAKNYHLC-MRXNPFEDSA-N 421.673 3.717 50 1 HHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)s1 43123290 YKNQFLHELMKANK-ZWKOTPCHSA-N 409.902 3.940 50 1 HHGF CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587009492 IIPNZJPPRNGDSH-UHFFFAOYSA-N 414.609 3.814 50 1 HHGF COc1cc(/C=N/NC(=O)CSc2ccnc3ccccc23)cc(OC)c1OC 72109181 POWXQFSSQRFPIC-FSJBWODESA-N 411.483 3.503 50 1 HHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587374529 OZGNAXQCMSBNGH-LJQANCHMSA-N 406.276 3.850 50 1 HHGF Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc12 103280691 HDDLHLNMGKUISO-HUUCEWRRSA-N 422.341 3.919 50 1 HHGF CC(C)[C@@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587683113 FLGXTXHABLDMGQ-LWNYNHHKSA-N 405.739 3.717 50 1 HHGF C/C(=N\NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(C(=O)O)noc1C 96935532 QDXKZLFSFFSMLL-TXNBCWFRSA-N 423.269 3.873 50 1 HHGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587376925 YWAXZCQLUUDAIT-AZUAARDMSA-N 418.287 3.765 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2CCOC2)N1 587672378 FSHXUANFTLFXKV-OSQNNJELSA-N 407.121 3.749 50 1 HHGF CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 1857765519 RAFZPWKKPCHMMM-RELWKKBWSA-N 412.287 3.896 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416852 FQCVYUGBLSVYRB-DEWVYBRMSA-N 413.901 3.644 50 1 HHGF CN(C)CCSSCCN(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 618010404 WTOUNFXNPQKJJE-UHFFFAOYSA-N 414.490 3.938 50 1 HHGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc(O)c(C(N)=O)c1 963221303 ABUONSVJOBOWPV-SPLOXXLWSA-N 417.347 3.786 50 1 HHGF O=C(CCO[P@](=O)(NCCCl)N(CCCl)CCCl)c1ccccc1 27847369 SGAYCXWRIQMTBX-XMMPIXPASA-N 415.685 3.992 50 1 HHGF Nc1ccc(SSCCNC(=O)/C(Cc2ccc(O)c(Cl)c2)=N\O)cc1 100919669 FKNGYYDVLVQTNP-QNGOZBTKSA-N 411.936 3.557 50 1 HHGF CCNC(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1 148930438 ZDZAYVGYYOPWJW-XNTDXEJSSA-N 416.485 3.973 50 1 HHGF CCn1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c(=O)c2ccc(C)nc21 103202344 DHBZTGIXQDCOGF-LSFURLLWSA-N 403.269 3.796 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 587682139 BHSYHHKMMMALIY-YPMLDQLKSA-N 424.701 3.536 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)Br)[C@@H](C2)C3=O 587414209 LRJIECIXOYNBLJ-ZUZCIYMTSA-N 404.098 3.750 50 1 HHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCC(N)=O)cc1)CC2=O 587459221 HAWHAVGWRQWTTQ-JOCHJYFZSA-N 401.890 3.862 50 1 HHGF CCOC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98085635 HWMPXFDQSNIGMT-AHYAXSLGSA-N 413.424 3.739 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](Br)C2=O 587544289 NOSXMPUXIVIBRI-VRHCTWJESA-N 403.228 3.609 50 1 HHGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)[C@H]1CCCC1(C)C 64361419 YPSNZIMULHJLFE-LBPRGKRZSA-N 410.316 3.936 50 1 HHGF CC(=O)Oc1ccc(/C=C(\C#N)C(=O)OC/C=C/c2ccccc2)cc1OC(C)=O 103245104 WCSNFQUIWLOLKL-PDVUDHOGSA-N 405.406 3.701 50 1 HHGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C(\C)c3ccc(C)cc3)cc2s1 653783678 JVQJWBFZYSTQPD-YDZHTSKRSA-N 412.471 3.702 50 1 HHGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)cc(Cl)c1F 1857564447 VEQKDIUCYNOCDU-UHFFFAOYSA-N 404.850 3.769 50 1 HHGF CC(C)CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@@H](c3nccs3)N2C1=O 2356805821 ZXZYMZDXGVCRAD-RFQIPJPRSA-N 418.390 3.872 50 1 HHGF COc1cc2cc(C(=O)Nc3cc(O)ccc3CCCl)[nH]c2c(OC)c1OC 28356950 MXUGFYRNNNMOSQ-UHFFFAOYSA-N 404.850 3.933 50 1 HHGF CC(C)CN(Cc1cc(Cl)ccc1OS(C)(=O)=O)C(=O)/C=C/[C@H](C)Cl 103286651 QHYBXXXCUIXNJA-LJLILKBBSA-N 408.347 3.847 50 1 HHGF COc1ccc2c(c1)cc(C(C)=NNC(=O)c1cc(Br)ccc1O)n2C 254085992 CAASQYNYHBPDKC-UHFFFAOYSA-N 416.275 3.809 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 587728654 FUBWRAPYWZNEBQ-GIGQVBGESA-N 406.226 3.980 50 1 HHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2ccc(F)c(F)c2)N1 962978547 RQIMLUVJSOKULM-DYVFJYSZSA-N 408.178 3.978 50 1 HHGF COc1cccc(OC)c1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587370413 BCLVYZRKAJNNHA-LJQANCHMSA-N 406.276 3.850 50 1 HHGF COc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587415617 VTWUKVPAABSSKG-QRWLVFNGSA-N 419.271 3.750 50 1 HHGF CCOC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587669612 FLVCSWJAXJIPED-KEMUVXCRSA-N 423.120 3.664 50 1 HHGF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C/[C@](C)(OO)CC[C@H]2OC(C)=O 200462116 FAHUDUVWJUBJRS-BRKJLZHYSA-N 408.491 3.722 50 1 HHGF O=C(N/N=C/c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@]1(O)C(F)(F)F 1857773785 WIJJUYZYESBNJO-MNPVBQOISA-N 416.812 3.806 50 1 HHGF COc1cc(OC)c(/C=N\NC(=O)c2cc3c(cn2)[nH]c2ccccc23)c(OC)c1 103185182 QRXSGTYCHZRXLV-MYKKPKGFSA-N 404.426 3.506 50 1 HHGF Cc1c(O)ccc2c1[C@](CBr)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963490555 KTGVYYGYXYEQQP-HRAATJIYSA-N 416.315 3.622 50 1 HHGF O=C(Nc1ccccc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(F)cc32)cc1 1857618800 SEFKUURHBJZLNL-UHFFFAOYSA-N 417.400 3.556 50 1 HHGF CSCC[C@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O 101512714 NBXSYKFEHWPSFM-UFSZVFTQSA-N 418.478 3.773 50 1 HHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416708 CQUROCAILMAOGU-SPLOXXLWSA-N 403.862 3.699 50 1 HHGF N#CSC[C@@]1(c2sccc2Br)c2ccsc2CCN1C(N)=O 962713894 PWGYFIXERBUANJ-AWEZNQCLSA-N 414.375 3.967 50 1 HHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587412875 DNIODWNLQKCKLC-SCLBCKFNSA-N 404.216 3.641 50 1 HHGF COc1cc(C(=O)N(C)CCSSCCN(C)C)c(OC)c2ccccc12 618009866 LVBKRUVZMMAHIP-UHFFFAOYSA-N 408.589 3.872 50 1 HHGF NC(=O)c1cc(Cc2ccccc2)cc(C(=O)C(Br)Br)c1 29055656 FGHDUVPHISFKTE-UHFFFAOYSA-N 411.093 3.675 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)CC(=O)O)O2 587375918 WASCSSOJZKXHFT-VQIMIIECSA-N 404.260 3.676 50 1 HHGF COc1cc2c3c(c1)OC([C@@H](C)Br)([C@@H](C)Br)[C@@H](C2)C3=O 587414020 KARAFMKCQWKEQU-XLDPMVHQSA-N 404.098 3.748 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](Br)C2=O 587544292 NOSXMPUXIVIBRI-XFHNUULXSA-N 403.228 3.609 50 1 HHGF CCN(CC)c1ccc(/C=C(\C#N)c2nc(N)nc(N3N=C(C)CC3(C)C)n2)cc1 5582347 HDKGKNKKYRTMRT-SFQUDFHCSA-N 404.522 3.729 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)cs2)N1 587847884 MJLZAMAIHKTMQA-VPTHRUTESA-N 417.731 3.765 50 1 HHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1O 34341846 ITXNVMBWEBJRCO-HNNXBMFYSA-N 412.243 3.863 50 1 HHGF CN(CCO)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 254124444 IHTDBEGLCXULLT-WKILWMFISA-N 420.575 3.842 50 1 HHGF COc1ccc([C@@H]2C(C#N)=C(/N=C/OC(C)=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857775040 OGQAFHGQYNUXEW-HUHXJTTESA-N 413.437 3.969 50 1 HHGF C=C1[C@@H](CC=C2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O 2356535894 LNPKRCWKHZHXIZ-VQKYNOOZSA-N 407.938 3.907 50 1 HHGF C=C1CC[C@H](Cl)[C@](O)(COC(C)=O)C[C@@H]2O[C@]23[C@H](C(C)(C)O)CC[C@]3(C)CC1 2356795627 MHVLIPPDAODSCC-HLMGQEERSA-N 414.970 3.733 50 1 HHGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OC(C)(C)O[C@]1(C)CO 2356384538 UGXXUYXGMCGXKD-CAFLLTJSSA-N 404.620 3.725 50 1 HHGF CC(C)CN(NC(=O)c1ccc2occc2c1)c1nc(C#N)ncc1Br 58576593 YJQCMUFRRGECCZ-UHFFFAOYSA-N 414.263 3.664 50 1 HHGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587375416 RXUCEXQZXNQRKT-RTBURBONSA-N 410.308 3.800 50 1 HHGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(CC[C@H]3CCCCO3)c3cccc1c32 963027349 NVKRIQCORFYYGY-STXHMFSFSA-N 407.352 3.679 50 1 HHGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 44052507 FRBMHRPOABKXCU-FIRPJDEBSA-N 422.930 3.891 50 1 HHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 587845534 NDZABORAMMJQJD-MLCYQJTMSA-N 423.307 3.991 50 1 HHGF CC(C)(C)OC(=O)NN(C[C@@H]1CC=CCC1)c1nc(C#N)ncc1Br 64373216 VGFPSWFEMIWJMG-GFCCVEGCSA-N 408.300 3.713 50 1 HHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)cs2)N1 587847885 MJLZAMAIHKTMQA-ZKANADHPSA-N 417.731 3.765 50 1 HHGF CN(C)CCSSCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl 618017689 VQZCJNOLOJMZDY-UHFFFAOYSA-N 401.907 3.817 50 1 HHGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587086893 IEIWGPBAIPIIDU-ZDUSSCGKSA-N 406.321 3.778 50 1 HHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587412876 DNIODWNLQKCKLC-UGSOOPFHSA-N 404.216 3.641 50 1 HHGF CC[C@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@@H](Cl)[C@]1(C)OC 238786406 STJJUUHNLFNKIU-LDEAWATRSA-N 422.946 3.609 50 1 HHGF CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 1857623400 CLHOQFOFZHJBHD-UHDKDOJQSA-N 424.965 3.677 50 1 HHGF C=C1C[C@@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@@](C)(O)CC[C@H]12 38299288 JPCOLXANIJAXTB-IHRHECOVSA-N 401.385 3.795 50 1 HHGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415986 ZRFUUTHOVVKLQW-DKICVRJWSA-N 417.255 3.576 50 1 HHGF CCOC(=O)C[C@H](Br)[C@@]1(C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618715 DJOPNKYPSCUWRC-YFROIQMUSA-N 414.340 3.512 50 1 HHGF CCOC(=O)[C@@]1(CCBr)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587375415 RXUCEXQZXNQRKT-RBUKOAKNSA-N 410.308 3.800 50 1 HHGF O=C(O)[C@H](CC[S@](=O)c1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 2019939 AMJPXGQNYYTBKB-IIMAJNMQSA-N 422.506 3.945 50 1 HHGF in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCc3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84671944 RZHPDUNYCHIBFX-VXPQEUECSA-N 407.507 3.594 50 1 HHGF CCCCNS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587086960 KDHICPWVEPGMKD-ZDUSSCGKSA-N 406.321 3.825 50 1 HHGF N#CC(C#N)=C1Nc2ccccc2N1CCNCc1ccc(CN2CCCCC2)o1 13825546 LFWBAKOCTYKRQI-UHFFFAOYSA-N 402.502 3.546 50 1 HHGF Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O 26174109 RVZYLDOSYAWBKP-CNMKTADYSA-N 422.949 3.966 50 1 HHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 587686141 SRIRQAGLNDTDKV-ANRSDYALSA-N 402.651 3.841 50 1 HHGF CC=C(C=O)[C@@H]1[C@@H](OC(C)=O)[C@@H]2O[C@@]23[C@@H]2CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C 2356397503 CQIQFZVEWSZZEF-NNPWYTRDSA-N 416.558 3.824 50 1 HHGF O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1COc1ccccc1 28863614 AZTVEQHJXORGST-OEAKJJBVSA-N 405.410 3.703 50 1 HHGF COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H](C)Br)c2)cc1OC 28954542 DSDFZJXSZAVFDR-LLVKDONJSA-N 407.264 3.678 50 1 HHGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1 100086822 DGIBMRNSOVIYLQ-PJCCXHTNSA-N 403.891 3.824 50 1 HHGF COc1ccc(C2=NN(C(=O)[C@H](C)Br)[C@H](c3ccco3)C2)cc1OC 43022072 YCOBSAXFCFOFSB-FZMZJTMJSA-N 407.264 3.758 50 1 HHGF CN(C)c1ccc(/C=N/NC(=O)C(=O)CC2=NC3(CCCC3)Cc3ccccc32)cc1 169693817 YAUGGWCBHGLBCI-YZSQISJMSA-N 416.525 3.520 50 1 HHGF CO[C@]12C(C=O)=C[C@@H]3C[C@H](C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O 2356634799 MMEHDJNMDYANLN-NWESXGDRSA-N 400.471 3.528 50 1 HHGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(O)ccc2n1C 299815555 IDKUSVAEHGREHH-UHFFFAOYSA-N 402.248 3.506 50 1 HHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 587737122 YGQJWKXJIZZWQT-OVWNDWIMSA-N 406.226 3.980 50 1 HHGF O=C(O)c1ccc(/N=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2Cl)cc1 169720482 OBMWWSFXCPAKLH-HYGVVEGASA-N 410.735 3.657 50 1 HHGF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\NC(=O)c1ccc([N+](=O)[O-])cc1 103292357 QKAVUKHDSAPQPS-QQPRGAMSSA-N 409.398 3.688 50 1 HHGF COc1ccc2c(c1OC)[C@](CBr)(c1ccncc1F)N(C)[C@@H](C)C2 962631074 QGRVAQAOBMSFCM-BUXKBTBVSA-N 409.299 3.753 50 1 HHGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)COc2ccccc2)c1NC1CC1 13491843 ZOFFROQGAQVLFU-AWEZNQCLSA-N 414.893 3.869 50 1 HHGF C/C(=C/[C@]1(C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21)NNC(=O)CC#N 962661351 CFWADDRSTSIOKD-NALLFNBYSA-N 414.431 3.695 50 1 HHGF C=C1C[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@](C)(O)CC[C@H]12 2356450142 JPCOLXANIJAXTB-NEXNMDDUSA-N 401.385 3.795 50 1 HHGF CNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018794 VNBARLAVIJEIDT-RJGXRXQPSA-N 404.450 3.629 50 1 HHGF COc1cc2c(cc1OC)[C@@](CCl)(c1ccc3c(c1)CCC(=O)N3)N(C)[C@H](C)C2 962642727 ZPXUWWSWMNEWCO-QKFKETGDSA-N 414.933 3.947 50 1 HHGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Br)cc1 1857640304 BGWLQKKWIAVXDA-IUYLSVMLSA-N 422.273 3.713 50 1 HHGF CCOC(=O)[C@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@H]1c1cccs1 36023281 ZTARWFDZIIJOSM-HOTGVXAUSA-N 402.501 3.583 50 1 HHGF COc1ccc([C@H]2C(C#N)=C(/N=C/OC(C)=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857775041 OGQAFHGQYNUXEW-KTCKORJGSA-N 413.437 3.969 50 1 HHGF C#CC=CC[C@H](Br)[C@]1(OC)C[C@@H]2O[C@H](CC)[C@@H](Br)C[C@@H]2O1 2356634938 OWMHLDFUWHSEBI-KARBZBNUSA-N 422.157 3.792 50 1 HHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1nnc(-c2ccc(F)cc2)o1 963630096 BMIRQRIMTIURGV-QKVFXAPYSA-N 417.868 3.910 50 1 HHGF COc1cc(NC(=O)c2cccc(NC(=O)[C@H](C)Br)c2)cc(OC)c1 28954566 ITDJMUIXTBHNCC-NSHDSACASA-N 407.264 3.678 50 1 HHGF Cc1c(C(=O)NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)ccc2c1C[C@H](C)O2 103203122 KRDBQZILWBCTNZ-ZDUSSCGKSA-N 411.458 3.812 50 1 HHGF CC(=O)C1=C(O)/C(=C(\C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC1=O 169320172 XTJNMRSWVLNMAW-WDZFZDKYSA-N 423.265 3.895 50 1 HHGF O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1cc(O)c(O)c(O)c1 653914345 CZIZPWRCTZWVNJ-FOKLQQMPSA-N 412.829 3.800 50 1 HHGF COCCOc1nc(-c2cccc(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653862967 XWJDQBLNXDWAOW-UHFFFAOYSA-N 421.284 3.790 50 1 HHGF Cc1cc2c(cc1O)[C@]1(C[C@H]3CC[C@@]1(CBr)C3(C)C)N[C@H](C(=O)O)C2 963492084 QAIZVJUDGXBKCY-SWDCCWFVSA-N 408.336 3.716 50 1 HHGF CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415603 VLOPHLGJSFVICV-YJYMSZOUSA-N 411.292 3.556 50 1 HHGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587419641 FQIFWPFZVACHJI-SZNDQCEHSA-N 403.862 3.699 50 1 HHGF CCCCC[C@@H]1OO[C@H](CC(=O)OCC)[C@@H](Br)[C@@H]1Br 66258387 GPGJLHQEMSPBBI-XKAARJIMSA-N 402.123 3.746 50 1 HHGF COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O 587382333 PWJXHRMFQTXSQL-SFHVURJKSA-N 410.239 3.686 50 1 HHGF C=C([C@@H]1CC[C@](C)(O)[C@H](Br)C1)[C@@H]1[C@H](O)[C@@H]2[C@@H](CC[C@]2(C)O)C1(C)C 2356797634 OERZXAKPKLPTJX-AQUYJVJHSA-N 401.385 3.651 50 1 HHGF CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(OC)cc3)n2)c2ccccc21 73166079 SEOYKDBDZUPTAW-UHFFFAOYSA-N 403.486 3.575 50 1 HHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2c[nH]c3ccncc23)N1 962971217 SWIHYGDLHBDQHY-KDOFPFPSSA-N 412.223 3.576 50 1 HHGF COC1=CN(C)C(CCl)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587686418 VBDLWGGMLVDFKC-BMLIUANNSA-N 401.707 3.874 50 1 HHGF N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O 587883340 HLKDELKSZMOFGD-LICLKQGHSA-N 413.260 3.695 50 1 HHGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449001 CZJWVCWQSLZJER-AUJRIZCKSA-N 421.902 3.532 50 1 HHGF COc1ccc(/C=N\NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)cc1OC 13138599 VOADUCNXWYAILJ-CFRMEGHHSA-N 408.502 3.659 50 1 HHGF O=C1C(O)=C([C@H](NCCCCl)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 653913881 NHXDNISUOYGAOM-QGZVFWFLSA-N 400.818 3.746 50 1 HHGF COc1ccc(/C=C/C(=N\NC(=O)c2cccnc2)c2ccc(O)cc2)cc1OC 40873665 IUOKBWKXXCGHFN-KZFKZACUSA-N 403.438 3.652 50 1 HHGF COc1ccc(C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 68582056 VUHZWWHUVKEQAL-UHFFFAOYSA-N 405.410 3.794 50 1 HHGF biogenic CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1COc1ccc(F)cc1-2 139180938 TWNQYSOFMFDGQY-UHFFFAOYSA-N 417.418 3.580 50 1 HHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@@H](C)N4C(C)=O)[C@@H](C2)C3=O 587417489 NBMOFEWNEZYOII-DFFZLKDPSA-N 411.885 3.874 50 1 HHGF C[C@@H](C(=O)NNC(=O)NCCc1ccccc1)c1cccc(Cc2ccccc2)c1 84597035 ZXUVKNXDJOONRW-LJQANCHMSA-N 401.510 3.954 50 1 HHGF C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 238746733 DXNRKQZSDLZIAZ-QJUHQHJTSA-N 413.002 3.703 50 1 HHGF O=C(N/N=C/c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@]1(O)C(F)(F)F 1857773786 WIJJUYZYESBNJO-PZEXIZOFSA-N 416.812 3.806 50 1 HHGF COc1cc(NC(=O)c2cccc(NC(=O)[C@@H](C)Br)c2)cc(OC)c1 28954564 ITDJMUIXTBHNCC-LLVKDONJSA-N 407.264 3.678 50 1 HHGF O=C(O)Cc1cccc(CC[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 253780720 LULNMGLDEMLBSW-SZARQIBASA-N 421.497 3.847 50 1 HHGF Cc1[nH]nc2c1[C@@](c1cc(N3CCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772639731 LSEDFOBXCYEJLQ-HXUWFJFHSA-N 417.435 3.975 50 1 HHGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@H](O/C=C/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911572254 ZLNIHQITZBVPBD-GCHOXTPLSA-N 402.487 3.997 50 1 HHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587373648 RYBBGVOXYJZUHY-ASADDWESSA-N 408.292 3.566 50 1 HHGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C(=O)OC)c1 101459854 OUGUUUCKXPNNCF-ZCXUNETKSA-N 408.410 3.596 50 1 HHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)CCC[C@@H]2Br 587543286 KAPLNBUTPCNQGK-URLQWDBASA-N 403.228 3.609 50 1 HHGF N[C@H]1CC[C@H](NC(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 101866485 HTFWGWRZKSZPFZ-STTHNVOOSA-N 418.578 3.780 50 1 HHGF CC1=C2CC[C@](C)(O)[C@@H](O)C[C@H]2[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)C1 138701727 KFLSWWBZSRPSLX-KVAAXBNISA-N 401.385 3.940 50 1 HHGF