smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)COc2cccc(Cl)c2Cl)C1 618008651 IYRMQLXEQOYOJJ-HNNXBMFYSA-N 494.510 3.670 50 1 JHGF COc1ccc2c(c1)[C@](c1cnn(C)c1C)([C@@H](Cl)C(=O)c1cnn(C)c1C)N(C(C)C)CC2 962094935 URLPRCDIBOJRKQ-DQEYMECFSA-N 470.017 3.779 50 1 JHGF C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC(=O)COc1ccccc1 140054901 HQVHCYKHXCWAMC-CJOZULMCSA-N 460.548 3.730 50 1 JHGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(C#N)cc1 963142766 LSEVLRHMNOJYHI-YWZLYKJASA-N 478.368 3.900 50 1 JHGF Cc1nc(-c2ccccc2)ncc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br 66252226 LIAZKAIZRMTKCA-UHFFFAOYSA-N 466.343 3.684 50 1 JHGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(Br)c(-c3cccc(F)c3)c21 72180907 XABRGOUJLJFOAX-UHFFFAOYSA-N 468.282 3.976 50 1 JHGF CCCCNS(=O)(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009726 PEURFRHBOLBAMD-NRFANRHFSA-N 488.013 3.761 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)CBr)N1 587672836 IKFFMAOACGRXJD-WPPNPWJKSA-N 457.963 3.677 50 1 JHGF COc1ccc(-c2ccc(F)cc2F)cc1C(=O)NCCC(=O)NCCSSCCN(C)C 618017401 KDBGHZIQRNTZNI-UHFFFAOYSA-N 497.633 3.820 50 1 JHGF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(C)c3ccc(C(=O)CCl)cc32)c1C 621431449 IHZDOZIPDFBZPS-UYRXBGFRSA-N 471.001 3.642 50 1 JHGF CN(CCc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193945 JJSWVRYJXHRAHW-UHFFFAOYSA-N 455.518 3.590 50 1 JHGF COC(=O)CCCC#CC#C[C@@H](Br)[C@H](O)CCCCC#CC=CBr 2356387849 JJSKWMHHQMBMHV-QZTJIDSGSA-N 458.190 3.933 50 1 JHGF O=C(O)CNCCNCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587229466 XVZJTVGRELGLMF-UHFFFAOYSA-N 453.231 3.747 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cccc(C)c12 1857552955 YZNHTVYYNJSOJG-NRFANRHFSA-N 456.531 3.543 50 1 JHGF O=CC=CC(=O)Nc1c(F)c(F)c(-c2c(F)c(F)c(NC(=O)C=CC=O)c(F)c2F)c(F)c1F 2356455294 NYQNPCLXKZEQSY-UHFFFAOYSA-N 492.278 3.854 50 1 JHGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cc2cc(Br)ccc2nc1Cl)c1ccncc1 1772623736 UIKWRTCLCKVQJJ-HUUCEWRRSA-N 466.122 3.881 50 1 JHGF O=C1c2c(Br)sc(Br)c2[C@@H](NC(=O)C(F)(F)F)[C@H]1Br 1638255 IFSRPZREBSTVHH-QWWZWVQMSA-N 485.901 3.953 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 299812567 MUQNGPZZQDCDFT-WIDJSBTDSA-N 454.966 3.889 50 1 JHGF NNC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 587238085 UHJQFMZZLROFCY-UHFFFAOYSA-N 497.555 3.711 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)CBr)N1 587672835 IKFFMAOACGRXJD-UHLUBPPHSA-N 457.963 3.677 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 587323733 SRSLQMSBCOJOCU-RBBKRZOGSA-N 486.297 3.929 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616345 CAUGWKVTVNXBSW-XMSQKQJNSA-N 458.923 3.759 50 1 JHGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccccc1)c1ccccn1 618016697 AFQMDZLCZOGSAN-WTIAFYNJSA-N 486.707 3.857 50 1 JHGF CCOC(=O)[C@@]1(CBr)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963841146 IJRSBXSWURWIPQ-QVKFZJNVSA-N 470.360 3.785 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C 2356308257 GFHLPTYSQVDNKX-SRILVUPXSA-N 478.925 3.805 50 1 JHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587425278 AYJFMCNONMNWII-HXPMCKFVSA-N 452.232 3.789 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)CC2=O 587489719 VQYVLBRXPDFBDT-UXHICEINSA-N 453.354 3.971 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616344 CAUGWKVTVNXBSW-PGRDOPGGSA-N 458.923 3.759 50 1 JHGF NC(=O)c1csc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c1 963417883 QXKBWQBAPHZLNR-DFBJGRDBSA-N 493.972 3.962 50 1 JHGF C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(N=C)[C@@H](O)[C@H](O)C5(C)C 238732132 YHDIJLPLKAVAQV-OODLVNIASA-N 457.014 3.919 50 1 JHGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(N)=O 587329987 ZDJOVVMVVOIARM-VWNXMTODSA-N 456.901 3.928 50 1 JHGF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)CI)cc1)[C@@H](C2)C3=O 587426314 BDXGDVNYHOYEMS-MGPUTAFESA-N 463.271 3.732 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(C(C)(C)C)N1 587673089 KCUGSDJQVAZGRF-DYZYQPBXSA-N 450.190 3.875 50 1 JHGF COc1ccc(Br)cc1[C@]1(CBr)NCCc2c(C(=O)O)cccc21 963133788 SQLQZSOOGKKYEP-GOSISDBHSA-N 455.146 3.940 50 1 JHGF Cc1nc(C)c([C@]2(CBr)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963134062 CQMAATATFMLCHW-KPZWWZAWSA-N 472.361 3.633 50 1 JHGF COc1cc2c(cc1OC)[C@](C)([C@@H](Cl)C(=O)C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963153189 KIMMBPCDDQCCNZ-GHTZIAJQSA-N 470.875 3.939 50 1 JHGF CC1(C)[C@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356439972 JEVYNKSHGQMDPV-BZLSQUIXSA-N 461.747 3.706 50 1 JHGF COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(OC)c1C2=O 29333693 UBUWFJQBUFXBSR-UHFFFAOYSA-N 452.334 3.767 50 1 JHGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OC 84688400 XOEGUIYLTQDNMI-RTBURBONSA-N 461.305 3.583 50 1 JHGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)NC2CCCCC2)c1 1857539533 PJTKEASKVGRQBX-LYBHJNIJSA-N 461.971 3.737 50 1 JHGF CCOP(=O)(OCC)[C@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 1857564363 PVIOOFXSDUIFOE-IBGZPJMESA-N 495.473 3.949 50 1 JHGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)CCBr 587273296 JQWMYYCVYWYLNZ-ZETCQYMHSA-N 455.928 3.814 50 1 JHGF Cc1ccc(Br)cc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618008893 NSDAHSFRCHQPEU-UHFFFAOYSA-N 488.517 3.669 50 1 JHGF CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4c3C(=O)C=C(NCCCl)C4=O)cccc12 29396051 XCFGSIOZBWPKLX-UHFFFAOYSA-N 484.961 3.765 50 1 JHGF CN1CCN(C2CCN(C(=O)CC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)CC2)CC1 72118326 OGUOSTRJUVOVIF-UHFFFAOYSA-N 487.685 3.632 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)Cc1cccc2c1CCCC2)c1cccc(Cl)c1)B(O)O 195469226 NEHBOQPJHQYUPF-RPWUZVMVSA-N 484.833 3.552 50 1 JHGF CN(C)c1ccc(C(=O)n2cc(/C=N/NC(=O)c3ccc(O)c(C#N)c3)c3ccccc32)cc1 13492718 FPTUBRWHVIAXAG-RWPZCVJISA-N 451.486 3.737 50 1 JHGF C/C(=N\NC(N)=O)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 38807343 UZPOAUYHYVBDIG-DTAJQEOXSA-N 462.550 3.777 50 1 JHGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CNC(=O)CCl)c1ccccc1Br 961318381 GQTLHCVYQGTOJS-HSZRJFAPSA-N 495.845 3.951 50 1 JHGF COc1cc2c(cc1OC)[C@]1(C(C=O)=C(N)Oc3cc(C)c(C)cc31)N(C(=O)c1ccccc1N)CC2 963133358 BIBUXBCWVOWIJC-LJAQVGFWSA-N 499.567 3.607 50 1 JHGF N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCS1 45245776 CRHSKFMHHSVIQD-TUNPWDSISA-N 459.552 3.965 50 1 JHGF CCn1c2ccccc2c2cc(/C=N\NC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 64237769 HRFARLBNXZNAGH-MBTHVWNTSA-N 491.515 3.791 50 1 JHGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@H](CO)Cc1ccc(O)cc1 64560529 OHOBQHMUVODGTO-FQEVSTJZSA-N 453.410 3.719 50 1 JHGF O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1F)c1ccco1 473153290 ZWTZWLHTPFJURI-FOKLQQMPSA-N 464.369 3.852 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587849770 NQMQGKPBCNYQMT-BMLIUANNSA-N 492.208 3.559 50 1 JHGF COC(=O)CCCC#CC#C[C@H](Br)[C@@H](O)CCCCC#CC=CBr 2356387850 JJSKWMHHQMBMHV-ROUUACIJSA-N 458.190 3.933 50 1 JHGF C[C@@H]1[C@@H](OC(=O)N[C@@H]2C[C@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101851203 JAJGWMGTSWYVBH-VPWNAGDGSA-N 457.523 3.656 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587850271 PAFDKJIDEJSZBK-HXPMCKFVSA-N 469.401 3.984 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23c2ccsc2CCN3Cc2ccco2)[C@H]1c1ccncc1 962702595 FJYYFLQTUQSEFJ-BKMJKUGQSA-N 486.553 3.616 50 1 JHGF CS(=O)(=O)c1cc([C@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962764996 LSOQJQXUELZKNH-YJBOKZPZSA-N 494.304 3.513 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C3=O)[C@@]412 2356360234 AUOJMECYGGZYNA-RWFHZURMSA-N 461.697 3.890 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 587672051 CSCOCIFXDUIIBK-VVVCHXIZSA-N 472.156 3.509 50 1 JHGF CC[C@H](C)C=CCCCCC=CC=CC=CC(=O)N[C@@H]1CO[C@]2(O)C=C[C@H](Cl)[C@@H](O)[C@]2(O)C1 2356718738 FQBWNVBDQZRLFD-OSYPULLBSA-N 480.045 3.681 50 1 JHGF Cc1csc(C(=O)NNC(=O)CN2CC[C@@H](NCCC(c3ccccc3)c3ccccc3)C2)c1 28378228 XQVOPARIXZTIMM-HSZRJFAPSA-N 476.646 3.704 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 618007759 HODQIPKOGVOEGI-INIZCTEOSA-N 463.591 3.617 50 1 JHGF COc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962973216 JOSTUJXVKZMRAQ-ORAYPTAESA-N 476.701 3.873 50 1 JHGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 1857594433 RKGYPMGSTRMJJM-NRFANRHFSA-N 462.469 3.691 50 1 JHGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 72124912 IBCQPQAYWYKDGU-QFIPXVFZSA-N 478.508 3.521 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)CC1 618009357 WDKBCWMXOPZNSC-UHFFFAOYSA-N 480.483 3.610 50 1 JHGF O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NN=C1C(=O)Nc2ccc(Cl)cc21 1857605165 KNFKIDHPSROFTL-UHFFFAOYSA-N 473.872 3.965 50 1 JHGF CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C 194905526 KMFPKVCQFYEQTF-WOCWXWTJSA-N 495.787 3.669 50 1 JHGF C[C@@H](S[C@H](C)C(=O)NN=Cc1c[nH]c2ccccc12)C(=O)NN=Cc1c[nH]c2ccccc12 263609901 VOZVLRIHFOWAOG-HZPDHXFCSA-N 460.563 3.760 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 587673088 KCUGSDJQVAZGRF-BTDLBPIBSA-N 450.190 3.875 50 1 JHGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)/C(=C\c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963529163 VLVBRUOSEAZHMZ-BPKYVNGESA-N 476.916 3.573 50 1 JHGF COC(=O)Oc1ccc(/C=N\NC(=O)CSCc2ccccc2Br)cc1OC 33332184 PPGGAPXEUXGXFM-FBHDLOMBSA-N 467.341 3.986 50 1 JHGF C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]42CC3=O 85549517 DQNNONYJPZBYNN-MNZGIAECSA-N 495.755 3.657 50 1 JHGF biogenic,in-vitro C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 618017254 INQKETOVYYWYIP-IERDGZPVSA-N 480.675 3.536 50 1 JHGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NN=C1C(=O)Nc3ccc(Br)cc31)O2 1911570685 KINYPKVWYSVRRT-JOCHJYFZSA-N 472.339 3.636 50 1 JHGF COc1cc(OC)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(OC)c1 95809364 DISDUEZWMYZVFT-PCLIKHOPSA-N 457.527 3.847 50 1 JHGF CCC(Br)=CC=C[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@H]1O 2356405478 UTNSPXWSOISNAK-PFMYJXNGSA-N 487.026 3.938 50 1 JHGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N(C)C)c2)c1 13779109 KLDDFUIEMDGJMM-UHFFFAOYSA-N 486.532 3.777 50 1 JHGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](Br)CBr 95755001 MWBCSJGUOPXLDB-UONOGXRCSA-N 451.155 3.987 50 1 JHGF N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 102075891 LPRPHULGCMRTTA-LADGPHEKSA-N 471.561 3.816 50 1 JHGF COc1ccc2nccc([C@H](O)[C@@H]3C[C@H]4CCN3C[C@H]4[C@@H](C)I)c2c1 2356524200 UWVMXKAGINOCHU-TWOLOYTPSA-N 452.336 3.811 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccccc4O)c[nH]c3c12 103214636 VNHWCCRONWAZTC-QUCCMNQESA-N 483.311 3.579 50 1 JHGF NNC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 587087945 PTOPGXHAZBUKQK-IVBXAVHNSA-N 487.391 3.568 50 1 JHGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)CC2=O 587489724 VQYVLBRXPDFBDT-WOJBJXKFSA-N 453.354 3.971 50 1 JHGF COc1cc2c(cc1OC)[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)N(C)[C@@H](C)C2 962568758 LIPZYPQGIVRFNL-FPSMJMQUSA-N 455.393 3.790 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587849773 NQMQGKPBCNYQMT-QGHHPUGFSA-N 492.208 3.559 50 1 JHGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2F)N1 962630267 HZYLOBUOOKKSEZ-APPDUMDISA-N 493.207 3.870 50 1 JHGF Cc1cn([C@H]2C[C@@H](COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195500391 RLOKZRNNBSSAFD-LEWJYISDSA-N 475.662 3.588 50 1 JHGF COC(=O)[C@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587618870 XRWLWVQCCSMNAX-MRXNPFEDSA-N 467.887 3.647 50 1 JHGF CC(=O)c1ccc2c(c1)[C@@](CCl)(CNCc1ccco1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630333 JTRNYWPYISMZCI-GBXCKJPGSA-N 476.957 3.953 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 618008112 RQQLRSPXMPTELT-INIZCTEOSA-N 478.511 3.834 50 1 JHGF O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccnc1Nc1ccc(Cl)cc1Cl 28640789 XKMWCAVMZVIBGK-UHFFFAOYSA-N 455.298 3.894 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)Cc1cccc2c1CCCC2)c1cccc(Cl)c1)B(O)O 195469230 NEHBOQPJHQYUPF-ZEQRLZLVSA-N 484.833 3.552 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587678324 CGLSVPQRBHZEON-HOGDKLEQSA-N 482.147 3.890 50 1 JHGF C[C@]1(OC(=O)COc2ccccc2)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 140054748 HQVHCYKHXCWAMC-OPEMAFOOSA-N 460.548 3.730 50 1 JHGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(N2CCOCC2)cc1 963054592 IKQCFYDXMYURQD-DEOSSOPVSA-N 468.395 3.864 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138230 HVVHCMOTTZOPQX-LKBUQDJMSA-N 488.006 3.833 50 1 JHGF Cc1[nH]nc2c1[C@@](c1cc(N3CCCOCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772642159 WACZDTXADRENDX-JOCHJYFZSA-N 461.488 3.992 50 1 JHGF CCOP(=O)(OCC)[C@@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1 1857573881 DAFNBWQXWQSQGM-LJQANCHMSA-N 477.483 3.809 50 1 JHGF CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 82053234 VBXBPCPSEFTXDZ-LJQANCHMSA-N 476.413 3.762 50 1 JHGF CCO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(C)=O)C(=O)CCl 169302513 UHNZAFQVHFSWOX-RBWIMXSLSA-N 484.992 3.706 50 1 JHGF COCCN=c1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)[nH]1 1857638430 TUOZTMUFAYYYSH-UHFFFAOYSA-N 454.745 3.899 50 1 JHGF CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(O)cc2O)c2ccc(C)cc2)cc1 13677333 QKCMTBFQEFVQAF-NLRVBDNBSA-N 497.573 3.541 50 1 JHGF CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 587672517 GJHFNQXHJPERSA-HUTHGQBESA-N 472.156 3.509 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841936 SOASEDWBQSVXBT-RBZFPXEDSA-N 489.838 3.697 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Br)C1 587677494 ASOLXGIVTXWYGT-IGGJQXEISA-N 464.173 3.943 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 195481993 HRGRFZLKWPCHPI-CQDSOPIXSA-N 485.730 3.676 50 1 JHGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962630305 IEJGBJXTEOPKIN-JENIJYKNSA-N 472.257 3.756 50 1 JHGF O=C(CN1CCOCC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222652441 AOKRKGPIORMGCJ-UHFFFAOYSA-N 494.423 3.885 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587841924 SMYQXPJUAUESED-ADLMAVQZSA-N 461.784 3.976 50 1 JHGF N[P@](=O)(OCC1=C(Br)C(=O)c2ccccc2C1=O)N(CCCl)CCCl 26852006 KZFKSZKFQQLGMJ-VWLOTQADSA-N 470.087 3.578 50 1 JHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)cc2)o1 1911576523 WJYDZZBSVGZZTD-UHFFFAOYSA-N 484.921 3.689 50 1 JHGF Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)o1 667674 ABCXJIGKWRYVEV-DNTJNYDQSA-N 466.679 3.921 50 1 JHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963150351 DUOFDTROCHYQSM-XUZZJYLKSA-N 460.958 3.760 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@H]3CC=CC[C@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198853 ANJHMDUQQGXSIT-NKAPBBBESA-N 464.555 3.837 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841129 PVJLVQMAFNXQQW-RNODOKPDSA-N 489.838 3.697 50 1 JHGF CC1=C(C)[C@H](OO)[C@H]2C=CC[C@@H](C)[C@@H](O)[C@@H](C)C=CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]13 2356780553 YZMKUCUMIIGSIT-RHNKRQLZSA-N 465.590 3.873 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCONC(=O)c3ccccc3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158710 TVTPXHKWHYUDMG-DIXMLXDASA-N 477.554 3.668 50 1 JHGF COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C#N)cc2)c(OCc2ccccc2Cl)c1 1857541941 FOCAUVGSRYYCSL-IPPBACCNSA-N 476.920 3.679 50 1 JHGF O=C(CBr)NCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586971346 QRYGKZRVLUXLPW-UHFFFAOYSA-N 469.261 3.888 50 1 JHGF COc1cc2c(cc1OC)[C@](C)([C@H](Cl)C(=O)C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963153195 KIMMBPCDDQCCNZ-WIYYLYMNSA-N 470.875 3.939 50 1 JHGF N/C(=N\O)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 6013366 GJDCYHGXHQTSHH-UHFFFAOYSA-N 495.605 3.626 50 1 JHGF O=CC1=COc2c(Br)cc(Br)cc2[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962920876 MVHXFJJNZQGANB-KXBFYZLASA-N 497.114 3.668 50 1 JHGF CC[C@]12CCCN3C[C@@H](Br)[C@@]4(c5ccccc5N[C@H]4[C@@](Cl)(C(=O)OC)C1)[C@@H]32 38801312 DNVYCRHTAGNRCE-FBFBSROVSA-N 453.808 3.911 50 1 JHGF Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)s1 103238649 WKSWDVSTMXOQMI-FCDQGJHFSA-N 484.588 3.998 50 1 JHGF O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103282406 MSUZTFPOEONGOK-UONOGXRCSA-N 453.311 3.518 50 1 JHGF O=C(O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 95808747 DMPSOQMVYXNJNK-GIJQJNRQSA-N 450.127 3.793 50 1 JHGF N/C(CCl)=[N+](/N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 169685742 YKYDITUQZQFOQD-UHFFFAOYSA-O 489.144 3.518 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@@H](OC(=O)C(C)=CC)[C@@H]1O 2356457989 DGJSOBCOIVBILD-GHOFJMRBSA-N 485.017 3.605 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 36311368 OUKDLWAAMCMZEI-QDCHQJPGSA-N 450.604 3.884 50 1 JHGF COc1ccc2c(c1OC)[C@]1(C(C=O)=COc3ccc(F)cc31)N(C(=O)c1ccccc1N)CC2 963137023 HKLOKRQFGXRDSJ-HHHXNRCGSA-N 474.488 3.842 50 1 JHGF CNNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1 28353892 ZWPWFNBBOUREEZ-UHFFFAOYSA-N 458.515 3.735 50 1 JHGF C[C@H]1CCCCN1C(=O)N(Cc1cccc(C(=N)NO)c1)NS(=O)(=O)c1ccc2ccccc2c1 29346910 FJIYDNIQKFTEOQ-SFHVURJKSA-N 495.605 3.834 50 1 JHGF in-vivo CC(=O)OCC(=O)[C@@]1(OO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C 2356438015 OUZLVNAZQRKHBA-UPJXLQJGSA-N 492.540 3.535 50 1 JHGF COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC 96934082 PLIFESHMGLHTDZ-PRTQVNTJSA-N 455.419 3.715 50 1 JHGF Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccc(F)cc1 653887601 VLIVAUDPBFTQHP-KIBLKLHPSA-N 475.452 3.619 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609404 VJBJDKMITCJPAT-UGKGYDQZSA-N 493.990 3.641 50 1 JHGF Cc1nc(C)c([C@@]2(CBr)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963134073 CQMAATATFMLCHW-XIKOKIGWSA-N 472.361 3.633 50 1 JHGF O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103282422 UWGMWPDMZJIBPP-UONOGXRCSA-N 453.311 3.518 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609395 VJBJDKMITCJPAT-DENIHFKCSA-N 493.990 3.641 50 1 JHGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc21 962975648 XZCLBAUEZFFCTL-YCRPNKLZSA-N 455.288 3.929 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@H](OC(=O)C(C)=CC)[C@@H]1O 2356457994 DGJSOBCOIVBILD-TWLPEACMSA-N 485.017 3.605 50 1 JHGF C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]1/C(C)=C/C=O 38993455 AGFFLAGKMOJHPV-QJYPVFDVSA-N 490.549 3.532 50 1 JHGF COC[C@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC 195468300 OZEWPNYDUHPUBQ-CWTOASCOSA-N 451.523 3.772 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669964 HJHLLXLEPIXIJR-TZFGQJNGSA-N 499.174 3.872 50 1 JHGF COC(=O)[C@@H]1C[C@H](OC(=O)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 1857563969 OXYYJUKEPAWAMK-XOKLNVNFSA-N 452.887 3.812 50 1 JHGF COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1 1857744658 UMXWPDTUQZDIAA-UHFFFAOYSA-N 479.496 3.990 50 1 JHGF COc1cc(/C=N/NC(=O)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1O 473148706 HEXPQTCKZPBEJZ-MZJWZYIUSA-N 496.516 3.778 50 1 JHGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1 13779101 VXIHSHVUBBGLBI-UHFFFAOYSA-N 473.489 3.720 50 1 JHGF C/C(=N\NC(N)=O)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 38807341 UZPOAUYHYVBDIG-ZWGKKWKLSA-N 462.550 3.777 50 1 JHGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@@H]1O 2356860314 UDWHXJRDDKZCNF-JEZJVGMYSA-N 474.425 3.731 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587682248 KQNAHYFGUZFLQV-AYLIAGHASA-N 482.147 3.890 50 1 JHGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccc(OC(F)(F)F)cc1 103201133 JBOJTGOMHNXIHR-QGZVFWFLSA-N 492.845 3.688 50 1 JHGF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@@H](Br)[C@H]1CC[C@@]2(C)[C@]1(C)CS(=O)(=O)ON 963235018 FFNCRUVJUMVNQN-HWXFJBORSA-N 485.488 3.958 50 1 JHGF CN(C)CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Nc1ccc(/C=C/C#N)cc1 1857653602 JNKYJKAABQKCAF-ONEGZZNKSA-N 452.522 3.664 50 1 JHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2cccc(F)c2[N+](=O)[O-])N1 963222646 HCUHKPVDRWPWKK-FXAWDEMLSA-N 460.259 3.520 50 1 JHGF CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C 194905539 KMFPKVCQFYEQTF-PDOICOKGSA-N 495.787 3.669 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O 195509092 BJZZQJFYKQPUGO-KSZLIROESA-N 469.618 3.749 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)CI)cc1)O2 587387624 VKXFUVCTHAJCRU-LJQANCHMSA-N 450.276 3.831 50 1 JHGF CCOC(=O)[C@]1(OC(=O)C(Cl)Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356656979 QAIOVDNCIZSSSF-WIRGCBGVSA-N 485.404 3.914 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@@H](O)[C@H]1OC(=O)C(C)=CC 2356694860 LGDYOAVRXJYRRK-ZMKHKPBZSA-N 485.017 3.605 50 1 JHGF COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1OC 1772614064 BBXUQTLNFGDYEO-NRFANRHFSA-N 455.474 3.609 50 1 JHGF O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 73140588 FVZRTGVZBZSAHN-PGGKNCGUSA-N 467.894 3.837 50 1 JHGF CC(C)(C)OC(=O)N[C@@H](C(=O)[C@H](N)c1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765113 FVVYYVKMTMRURS-VLMIYVTRSA-N 452.467 3.550 50 1 JHGF CCOC(=O)CNC(=O)c1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103183659 JYBVSTQUFRPJRY-XFBYTGLDSA-N 489.565 3.566 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587673800 QBZVLVPRUHAVCV-XYZCENFISA-N 476.140 3.926 50 1 JHGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@@H](O)[C@@H](O)C5(C)C 2356555524 YHDIJLPLKAVAQV-QMIMNKRLSA-N 457.014 3.919 50 1 JHGF O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 29565336 XSYODUUPEOPEIR-HNNXBMFYSA-N 467.353 3.767 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1O 72107747 RKMYYEHDLLVNHB-YCHUCXOZSA-N 489.344 3.871 50 1 JHGF COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccc4)CC3)c12 33819757 VKIVEQAIBQDOFV-UHFFFAOYSA-N 478.512 3.811 50 1 JHGF in-vivo Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 1857568233 DIBRWMUXYZLYNO-RPPGKUMJSA-N 477.456 3.676 50 1 JHGF O=C(CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1)NNC(=O)c1ccccc1 299866849 POERVBWKFBNBJM-UHFFFAOYSA-N 478.961 3.652 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587684982 NIEUCYPSFGALFC-PRWKNARSSA-N 452.755 3.795 50 1 JHGF COc1cc2c3c(n(CCCBr)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 27206377 MCFNCDBNWGISTI-UHFFFAOYSA-N 472.291 3.744 50 1 JHGF CC1=C(C=O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 125581250 UZJYJCDYFRLVKM-CKNDUULBSA-N 468.590 3.560 50 1 JHGF O=C(NCCO)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71317678 IUXACOPAQGYKCC-UHFFFAOYSA-N 454.571 3.974 50 1 JHGF CCOc1ccc2nc(SC[C@]3(C)S[C@@H]4[C@@H](Cl)C(=O)N4[C@H]3C(=O)OC)sc2c1 473145472 VXBFJTXRDJBLBW-OVAAFMSASA-N 459.014 3.610 50 1 JHGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)CN(C)C(=O)CCl 587881359 VWTZLDMGBGZFEV-UHFFFAOYSA-N 494.806 3.648 50 1 JHGF CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C(\C#N)c1ccccc1)CC(=O)O 621485921 UCDKDPOYESYBND-MSZBQBDBSA-N 463.534 3.894 50 1 JHGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 962701241 AFNOJEOPFLGBOR-OAHLLOKOSA-N 475.162 3.994 50 1 JHGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)Cc4ccccc4)cccc2-3)cc1 14945680 VPYBDMKXOBHEPY-UHFFFAOYSA-N 467.485 3.692 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@H]21 253697346 FJSNMFMAHCSLAJ-ATLGKPOLSA-N 468.949 3.645 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CBr)(CN1C(=O)c3ccccc3C1=O)CC2=O 587456251 LMPUMIBUATYUCN-QFIPXVFZSA-N 458.308 3.740 50 1 JHGF Cc1cc2c(cc1O)[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)N[C@H](C(=O)O)C2 963529340 XCZSQQASJUXEQK-MAUKXSAKSA-N 460.246 3.837 50 1 JHGF CC(C)(C)[Si](OCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 170079165 OJOUHIKBDMPHTA-UHFFFAOYSA-N 450.655 3.674 50 1 JHGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(N)cc3)ccc21 1857641776 FPYQKZTXJZNSIB-MHZLTWQESA-N 476.552 3.598 50 1 JHGF Cc1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F 28345592 FIXFXORISVPLHI-UHFFFAOYSA-N 458.515 3.783 50 1 JHGF CN1CCN(C(=O)/C(C#N)=C/c2ccc(Nc3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)CC1 148914432 GXRCRISNWDNIOW-QGOAFFKASA-N 471.565 3.611 50 1 JHGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1 587855818 RXHAKPATUSSJNK-UHFFFAOYSA-N 454.701 3.596 50 1 JHGF Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618007933 NPAXDXREVDYKDY-IBGZPJMESA-N 476.668 3.561 50 1 JHGF Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccccc1F 653887614 WNEZPBRAVCWKLB-KIBLKLHPSA-N 475.452 3.619 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@H](C3=O)[C@@]412 2356360233 AUOJMECYGGZYNA-KGJNOIFKSA-N 461.697 3.890 50 1 JHGF CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@]31CC(=O)c2cc(C)cc(N)c2O1)C4(C)C 587409193 QLSDXJYGKKQCSX-RIQHJTHZSA-N 493.600 3.518 50 1 JHGF CN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587607562 NBSZOKWGLCUBQA-OFNKIYASSA-N 473.934 3.884 50 1 JHGF CC1(C)[C@H](Cl)C[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1cc(Br)ccc14 34827263 JEVYNKSHGQMDPV-SWEAUNLXSA-N 461.747 3.706 50 1 JHGF Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)CSSCCN(C)C)n[nH]2)cc1 618018353 ZCHWCXNQVAYKBO-XLIONFOSSA-N 475.684 3.894 50 1 JHGF COc1cccc2c1[C@@]1(N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)C(C=O)=CO2 963177566 OBUJFBXZTPAMGR-ZUOKHONESA-N 453.800 3.685 50 1 JHGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 1857594434 RKGYPMGSTRMJJM-OAQYLSRUSA-N 462.469 3.691 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 253665198 MUQNGPZZQDCDFT-ZDLKHGCSSA-N 454.966 3.889 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2ccc(F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504151416 ZSOFWGIDBCDDFY-MXIVNNKHSA-N 491.556 3.973 50 1 JHGF biogenic N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857753751 OTZMSWYMYPXLDS-OTASCSKISA-N 489.469 3.882 50 1 JHGF C[C@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 13779251 HNQDHHXMKWWUJH-WEKYPMTLSA-N 474.492 3.809 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(c2ccccc2)N1 587671926 BLGUBAYDGWOFHM-BLVKFPJESA-N 470.180 3.877 50 1 JHGF Cc1ccccc1C(=O)Nc1ccc(C(=O)NN/C=C2/C=CC(=O)C(Br)=C2)cc1 13126151 WPCXZUOAACKYIA-SQFISAMPSA-N 452.308 3.783 50 3 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 618007856 KUNFKEVHOZIYJN-INIZCTEOSA-N 478.511 3.834 50 1 JHGF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)CCl)cc32)c1C 621431541 NONHLAQTMYVZCX-PDGQHHTCSA-N 456.974 3.617 50 1 JHGF C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 195766596 NJJDZHDFBIIIAO-NQIIRXRSSA-N 457.643 3.929 50 1 JHGF Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2nnn(Cc3ccccc3)c2N)cc1 957999573 WYENDYLQDSBNIP-UHFFFAOYSA-N 476.544 3.834 50 1 JHGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962969345 DUPJFHJWLXFHSI-AOMKIAJQSA-N 469.315 3.999 50 1 JHGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc21 962975645 XZCLBAUEZFFCTL-VFNWGFHPSA-N 455.288 3.929 50 1 JHGF C#CCN1C(=O)/C(=N/NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 103189567 FJJPITGYAFNFMY-GKTNAJGXSA-N 450.709 3.914 50 1 JHGF OB(O)c1ccc(C(F)(F)F)cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816861 HYQFOMIOQHGTFL-HSZRJFAPSA-N 466.268 3.681 50 1 JHGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(C#N)cc1 963142760 LSEVLRHMNOJYHI-FOIQADDNSA-N 478.368 3.900 50 1 JHGF CCC[C@@H](C(=O)NN(CC(C)C)C(=O)OCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O 26251511 MBVXJKVSDUMKNK-YADHBBJMSA-N 466.667 3.852 50 1 JHGF COC(=O)[C@H]1CCCC[C@@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28136142 CCWMWRRLZHZSIW-VCOUNFBDSA-N 478.618 3.864 50 1 JHGF O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@@]1(Cc1ccc(O)cc1)OO 58660460 HOSWCJDTHOAORT-SANMLTNESA-N 455.470 3.763 50 1 JHGF biogenic,in-vivo COc1cc(CNNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 299872035 ZTJCJKFKUNRTQY-UHFFFAOYSA-N 470.323 3.850 50 1 JHGF O=C(N/N=C/c1ccc(Cl)cc1)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 84710947 NMMYJWXEPIQNME-VEMXNMSTSA-N 462.897 3.596 50 1 JHGF COc1ccc2c(c1)[C@@](c1cnn(C)c1C)([C@@H](Cl)C(=O)c1cnn(C)c1C)N(C(C)C)CC2 962094942 URLPRCDIBOJRKQ-LOSJGSFVSA-N 470.017 3.779 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963685255 GJASNCDANRZKOA-VABKMULXSA-N 484.669 3.782 50 1 JHGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(N3CCC(CC(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772579616 LNTOYLXMWSSXMA-XMMPIXPASA-N 453.518 3.577 50 1 JHGF Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C(=O)c2ccc(Cl)cc2)c1 103253547 RHLWOSBWKRTJGM-UHFFFAOYSA-N 490.899 3.826 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497464 CIVDSBOMPWXPCM-JTHBVZDNSA-N 457.320 3.932 50 1 JHGF CC1(C)C[C@@H](Cl)[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356722586 KYMPMBARXJWTMI-HJWMAQEXSA-N 461.747 3.706 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587846572 FAZLCXQVROSHRL-BMLIUANNSA-N 492.208 3.559 50 1 JHGF Cc1cc(N(CCCl)CCCl)ccc1C=NNC(=O)Cc1cc(=O)oc2cc(O)ccc12 261181027 WCRKUBGTWMEDDH-UHFFFAOYSA-N 476.360 3.784 50 3 JHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@@]13OO2 43328021 GWNVRBDHQSEZAV-JILMNHAFSA-N 491.581 3.568 50 1 JHGF CN(C)CCNc1nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c2cc1Cc1ccccc1 71318485 FHNYWNBNKIQHPM-LQKURTRISA-N 475.622 3.545 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1O 72109842 XWMAZVGWOIQOGT-OTXPQFFASA-N 489.344 3.871 50 1 JHGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962983742 ZHAZAQJTSXNTKG-KKSFZXQISA-N 475.319 3.681 50 1 JHGF O=C(Cc1cn2ccsc2n1)NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 9672151 PTIBNTPWKLVUIN-UHFFFAOYSA-N 460.441 3.557 50 1 JHGF CCC(=O)O[C@]1(C(=O)CC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 253849870 DRASCZVGXPOSFJ-MZOOHGCOSA-N 495.012 3.690 50 1 JHGF NC(=O)COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326757 MZVUOXBYTPQQNU-UPVQGACJSA-N 455.869 3.889 50 1 JHGF N#Cc1cnn2c(Nc3cccc(N(CCCl)CCCl)c3)cc(CN3CCC(O)CC3)nc12 1772607059 FYQTXZAOKGXXMT-UHFFFAOYSA-N 488.423 3.585 50 1 JHGF COc1ccc(NC(=S)NNC(=O)c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2C)cc1 1857555584 XRTATKQQVHKWON-UHFFFAOYSA-N 482.562 3.723 50 1 JHGF O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103284633 HNZKLPGDQWAHPN-UONOGXRCSA-N 453.311 3.518 50 1 JHGF C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@H](O)CCC/C=C/C(=O)O1 238752199 XKGDMUIDORFBTK-JPHBRGSDSA-N 489.609 3.834 50 1 JHGF C[C@@H]1CCCCN1C(=O)N(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1 29324021 GEBTZAHBWZLPGP-GOSISDBHSA-N 479.606 3.814 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]2N1 587684717 LTXYEFBENYZTTP-UUFIDDLGSA-N 456.787 3.772 50 1 JHGF CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857572750 IFUIEYVFOFRWTN-LKUDQCMESA-N 469.950 3.951 50 1 JHGF CC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40475127 WNTSIEPLTIQXKX-QZIXMDIESA-N 452.950 3.713 50 1 JHGF Cc1cn([C@@H]2C[C@@H](COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195500389 RLOKZRNNBSSAFD-SFTDATJTSA-N 475.662 3.588 50 1 JHGF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](N)[C@H]1O 253837921 YKMLLJFPFAASLT-ZDGIOXSASA-N 455.470 3.735 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[C@H]3ON3C(=O)c3ccccc3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158705 UCSLYNSOKNQJFW-XVADKNEBSA-N 475.538 3.720 50 1 JHGF COC(=O)Cc1ccc([C@@]2(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)s1 962656735 AZXYRCLTAGVWCR-XZOQPEGZSA-N 458.967 3.593 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@@H]4c4ccccc4)c[nH]c3c12 103210047 LNTWFSQEEIZRTJ-QUCCMNQESA-N 467.312 3.874 50 1 JHGF COc1cc(Br)cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O 95808906 FTZWNEZDINJDSB-YDZHTSKRSA-N 478.343 3.908 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccccc4)c[nH]c3c12 103210039 LNTWFSQEEIZRTJ-AZUAARDMSA-N 467.312 3.874 50 1 JHGF O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169719610 GMEIXEUMOKSTHZ-MRXNPFEDSA-N 454.639 3.942 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 618008138 SEGVGSGWUTZJPE-KRWDZBQOSA-N 477.618 3.546 50 1 JHGF COC1=C/C(=C\NNC(=O)c2ccc(OCc3cccc(Br)c3)cc2)C(=O)C=C1 13125693 CRZLYNUWKCDRSC-GHRIWEEISA-N 455.308 3.816 50 3 JHGF COC(=O)[C@@H]1CCCC[C@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28351380 CCWMWRRLZHZSIW-KAGYGMCKSA-N 478.618 3.864 50 1 JHGF CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N 66099312 KFTMZNIURYIOKI-KRWDZBQOSA-N 467.555 3.788 50 1 JHGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCSSCCC(=O)NN 587866907 SEYMBSZVNFVCAF-UHFFFAOYSA-N 462.519 3.759 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2ccc(O)cc2)c2ncccc2c1 1772616475 JQJFXXAIJNTJMQ-HNNXBMFYSA-N 452.515 3.566 50 1 JHGF C/C(=N/NC(=O)c1c(Br)cnn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 13108764 PKFHOEWXGMOZSQ-ROTLSHHCSA-N 458.291 3.728 50 1 JHGF Cc1cn([C@@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171181 JIMNASJSRXLXKJ-RTWAWAEBSA-N 488.657 3.761 50 1 JHGF O=C(NN=Cc1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 585656431 GPGJEJUNCOOXHD-XARADAHVSA-N 474.529 3.521 50 1 JHGF biogenic COc1cc(C(=O)NCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC 14953148 JJFPAWUNOIIHJP-UHFFFAOYSA-N 492.576 3.793 50 1 JHGF CCC(=O)O[C@]1(C(=O)CC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@]21C 253849866 DRASCZVGXPOSFJ-DEZZJMEMSA-N 495.012 3.690 50 1 JHGF CC1(C)OC2=C(C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)[C@@H]1n1cc(-c2ccccc2)nn1 1857577246 RWJICMCCKGBITN-BWDWYNRTSA-N 490.523 3.818 50 1 JHGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC 1651285 WYNJBJVUQJQDFP-AWEZNQCLSA-N 458.946 3.547 50 1 JHGF CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(NC(=O)CBr)cc2)c1 13446253 JGTOJVOQJSCFPI-UHFFFAOYSA-N 485.430 3.771 50 1 JHGF O=C(O)c1cccc(Cn2c(Cl)c(/C=N\NC(=O)c3ccccc3Cl)sc2=O)c1 15985438 PMDXGEQVRGTTOG-AFPJDJCSSA-N 450.303 3.727 50 1 JHGF Cc1csc(C(=O)NNC(=O)CN2CC[C@H](NCCC(c3ccccc3)c3ccccc3)C2)c1 28378235 XQVOPARIXZTIMM-QHCPKHFHSA-N 476.646 3.704 50 1 JHGF COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](OC)[C@H]1OC 254224425 OZEWPNYDUHPUBQ-GWMMUDDPSA-N 451.523 3.772 50 1 JHGF COC(=O)Cc1ccc([C@]2(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)s1 962656731 AZXYRCLTAGVWCR-PKTZIBPZSA-N 458.967 3.593 50 1 JHGF COc1ccc([C@]2(CBr)NCCc3cc4cccc(OC)c4nc32)cc1[N+](=O)[O-] 963057139 LPFCCGNSRWFMAM-NRFANRHFSA-N 458.312 3.944 50 1 JHGF O=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCCC2)c1O 14980209 ULMRFYRTIFUFNI-IPPBACCNSA-N 482.972 3.640 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 618010433 XBARNIUBBQSWGZ-ZDUSSCGKSA-N 480.483 3.610 50 1 JHGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)CCc4ccc(O)cc4)cccc2-3)cc1 14945667 UPSFNFYHUYDQAD-UHFFFAOYSA-N 497.511 3.788 50 1 JHGF CCCCN(NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)OCC 26183279 WJTSWJAUWANESO-YADHBBJMSA-N 466.667 3.996 50 1 JHGF CC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 58587267 WNTSIEPLTIQXKX-XAFPZKAOSA-N 452.950 3.713 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 299808305 PKRUHBYJBPPQKN-KKDWTMCGSA-N 452.975 3.731 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587672643 GUKFQMJWYPGCFX-LZVRBXCZSA-N 472.152 3.565 50 1 JHGF Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618009101 SEJNWVHWXWOFQK-INIZCTEOSA-N 488.517 3.669 50 1 JHGF CC/C(Br)=C\C=C\[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 202696212 UTNSPXWSOISNAK-OJZKZCODSA-N 487.026 3.938 50 1 JHGF CN(C)C(=O)c1csc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962695660 JJFQKRACEWIWCD-KDOFPFPSSA-N 464.868 3.689 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4ccc([N+](=O)[O-])cc4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857580163 JONCFTLNADVKEF-NHABRULGSA-N 486.525 3.900 50 1 JHGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1857608056 IOGWJNZRBRRTKZ-LYBHJNIJSA-N 461.971 3.737 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)c3cccc(Br)c3CCN2C)on1 963281212 QMGAALDWBJLLLC-KRWDZBQOSA-N 458.150 3.740 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C 2356308256 GFHLPTYSQVDNKX-JDIXMUAOSA-N 478.925 3.805 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610199 WVGXRHKKFGEJHI-ZJSXRUAMSA-N 487.961 3.580 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587851044 UPBAWBHQGYUKNB-BLVKFPJESA-N 469.401 3.984 50 1 JHGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2F)N1 962630272 HZYLOBUOOKKSEZ-GTNSWQLSSA-N 493.207 3.870 50 1 JHGF COc1ccccc1N1CCN(C(=O)CN(/N=C/c2ccc(Cl)cc2)C(=O)c2ccncc2)CC1 28339035 JKRVRURACJEGOM-RDRPBHBLSA-N 491.979 3.569 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(Br)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308360 HFPQPIOFTVSKLE-NIUNIBNWSA-N 479.371 3.788 50 1 JHGF CCOC(=O)CN(C)C(=O)[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C 195376179 GPHLSGVQVWWBHV-QGZVFWFLSA-N 456.656 3.923 50 1 JHGF CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43023722 FYDNCPWNCFLWDS-UHFFFAOYSA-N 478.593 3.988 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1cccc(C)c1O 72139899 JICVXGDRYSULBV-OTXPQFFASA-N 468.926 3.526 50 1 JHGF C[C@H](Br)[C@@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2[C@@H](Br)[C@@H](O)[C@H]2C[C@H]21 85639129 LTKZHUXYYQBMOW-RECMULQVSA-N 487.026 3.519 50 1 JHGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675382 WRVPQDWKGPLGOF-JWQCQUIFSA-N 481.936 3.503 50 1 JHGF O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@]1(Cc1ccc(O)cc1)OO 53683596 HOSWCJDTHOAORT-AREMUKBSSA-N 455.470 3.763 50 1 JHGF biogenic,in-vivo N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCCCBr)c1ccccc12 98082239 JVTAAAJPZUCLIR-XMMPIXPASA-N 492.329 3.687 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587672315 ZNAOMTOSJWVTMG-TZFGQJNGSA-N 499.174 3.872 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1)B(O)O 195464912 FEOICZCVVXIGEI-PKTZIBPZSA-N 466.774 3.897 50 1 JHGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13862988 UBKWNMZGLKKYKI-AWEZNQCLSA-N 451.310 3.812 50 1 JHGF COc1ccc(OC)c(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1 103247309 PXNVQXXWDISLIF-OGLMXYFKSA-N 481.984 3.568 50 1 JHGF N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2n2nnnc12 299829533 KEBDTWIJQBZJTD-OAQYLSRUSA-N 468.908 3.631 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587846941 FAZLCXQVROSHRL-DYZYQPBXSA-N 492.208 3.559 50 1 JHGF CCC[C@H](C[C@H](CBr)OC(C)=O)OC(=O)C(Br)Br 2356795294 LTYROPIECNPDNS-RKDXNWHRSA-N 452.965 3.531 50 1 JHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4cc(O)ccc4O)cc3)o2)c(OC)c1 473247737 GPBRUZAOWMCEQR-DHRITJCHSA-N 460.446 3.596 50 1 JHGF Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)cc1 15985703 MAOYSSCBXUUFQL-YSMPRRRNSA-N 466.607 3.936 50 1 JHGF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\CBr)nc1-2 586973636 MMQOEQAJGYXHDN-BAQGIRSFSA-N 479.317 3.894 50 1 JHGF Cc1c(O)ccc2c1[C@](CBr)(c1ccc(F)c(F)c1Br)N[C@H](C(=O)O)C2 963487897 FFGSZSOXEKVSCO-SGTLLEGYSA-N 491.126 3.979 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2cnc3ccccc3c2)cc(OC)c1Br 84725284 PJGNBOMULNQAOJ-DGPKFNOPSA-N 458.312 3.852 50 1 JHGF CC/C(NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)=C(\C#N)C(=O)OCCOC 103281015 QUPVCEOIOOFBHR-MSUUIHNZSA-N 465.959 3.851 50 1 JHGF O=C(N/N=C/c1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 13518609 UGLFLMFREBHQGD-IONSAMEVSA-N 453.546 3.771 50 1 JHGF COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccccc3C)cn(C3CC3)c12 64559302 RMDNJSFBWKXVGE-UHFFFAOYSA-N 458.490 3.563 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCCN1C(=O)c3ccccc3C1=O)O2 587371497 FBKVIHPGQFZCGS-QFIPXVFZSA-N 457.324 3.753 50 1 JHGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653764374 ROMMIIWWCDVVEC-UVHMKAGCSA-N 467.441 3.833 50 1 JHGF CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963840672 BMXOAXUGBWAPQW-SWWFSWNPSA-N 497.972 3.560 50 1 JHGF N#C[C@H](C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 38152820 CNKLTZSVJNRDCM-MRXNPFEDSA-N 465.362 3.521 50 1 JHGF C[C@]1(OC(=O)COc2ccccc2)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100834017 HQVHCYKHXCWAMC-ZKZIVCHGSA-N 460.548 3.730 50 1 JHGF O=C(CCc1ccccc1)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 299865840 ODCMEMWLMVJFGZ-UHFFFAOYSA-N 492.988 3.911 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2N1 587684712 LTXYEFBENYZTTP-HDZZMESHSA-N 456.787 3.772 50 1 JHGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962983737 ZHAZAQJTSXNTKG-HRAATJIYSA-N 475.319 3.681 50 1 JHGF C=C(CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]2[C@@H](O)C[C@@]1(C)O)[C@H](C[C@@H]1OC(=O)C=C1C)OO 238738480 RBGBBJUJCUEWTJ-FCDWHTQGSA-N 480.598 3.560 50 1 JHGF COc1cc2c(cc1OC)[C@@](C)([C@H](Cl)C(=O)C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963153191 KIMMBPCDDQCCNZ-NQIIRXRSSA-N 470.875 3.939 50 1 JHGF O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 43617367 MPKADGJNSOYYGR-UHFFFAOYSA-N 455.960 3.883 50 1 JHGF COC(=O)c1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(=O)OC)cc43)cc2c1 49088304 NXKHSBIBVSTGAH-CYBMUJFWSA-N 481.892 3.911 50 1 JHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587448899 MRFUEVMIVOUBNS-CVDCTZTESA-N 457.935 3.924 50 1 JHGF Cc1cccc(N2CCN(C(=O)CN(/N=C/c3cccc(Cl)c3)C(=O)c3ccncc3)CC2)c1 28334928 QJFLUFBRUPZGTM-RDRPBHBLSA-N 475.980 3.869 50 1 JHGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211564 GOVGUBPSAUTQQK-CTNGQTDRSA-N 497.338 3.882 50 1 JHGF COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)o2)cc1 618008681 XSMRKWOUSSBKBM-IBGZPJMESA-N 491.679 3.867 50 1 JHGF O=C(CSc1nnnn1-c1ccccc1)N/N=c1\scc(-c2ccccc2)n1-c1ccccc1 1857555233 NFQBLUTUTZYHPZ-RWEWTDSWSA-N 485.598 3.906 50 1 JHGF CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 587323734 SRSLQMSBCOJOCU-UNMCSNQZSA-N 486.297 3.929 50 1 JHGF CNC(=O)c1cc([C@]2(CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cn1C 963905117 WDCKJSWJSLZHSM-IQGLISFBSA-N 490.000 3.812 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587851046 UPBAWBHQGYUKNB-CWTRNNRKSA-N 469.401 3.984 50 1 JHGF O=C(NNC1=C[C@]2(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c2ccccc21)c1ccccc1 962640335 OLNDFRRVXCAIME-CLOONOSVSA-N 495.457 3.717 50 1 JHGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(O)cc3)ccc21 1857759254 QCKFRVLTTTYFIE-MHZLTWQESA-N 477.536 3.722 50 1 JHGF CCCc1nn(-c2ccccc2F)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857649298 KTSKGGBIFOAVNU-IBGZPJMESA-N 465.441 3.804 50 1 JHGF CCOP(=O)(OCC)/C(C#N)=C(\O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O 33488712 BRSOUEBWLIWNPM-QYODFPGHSA-N 479.514 3.824 50 1 JHGF CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(N)=O 113479000 RSERXDMOTMENJD-ULJHMMPZSA-N 458.510 3.797 50 1 JHGF N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(Cl)ccc2n2nnnc12 299829518 KEBDTWIJQBZJTD-NRFANRHFSA-N 468.908 3.631 50 1 JHGF C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618009012 OQJQBXVRUILXEA-UGKGYDQZSA-N 489.707 3.905 50 1 JHGF COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1OC 1772614065 BBXUQTLNFGDYEO-OAQYLSRUSA-N 455.474 3.609 50 1 JHGF COc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1857543695 JYGIOZRGLBDQEP-UHFFFAOYSA-N 452.536 3.714 50 1 JHGF CCO[C@@H](C(=O)N/N=C/c1cc(OC)c(Br)c(OC)c1)c1ccc(-n2cccn2)cc1 68198219 BZLLDUWCQPWMTL-JHXRPTDYSA-N 487.354 3.880 50 1 JHGF NNC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 587153631 WCKFIAXKSNEUDJ-UHFFFAOYSA-N 459.510 3.846 50 1 JHGF CCC(Br)=CC=C[C@H](O)[C@H](Br)[C@@H]1O[C@H](C=C=CBr)C[C@H]1O 2356405476 UTNSPXWSOISNAK-MQCLPBJOSA-N 487.026 3.938 50 1 JHGF CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)SC 103200527 TVGIEEDEGHUKIB-SAPNQHFASA-N 456.446 3.523 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2ccc(F)cc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504151408 ZSOFWGIDBCDDFY-BGHVXAJDSA-N 491.556 3.973 50 1 JHGF biogenic Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587008205 LUTWFXNLSZIYNK-OAHLLOKOSA-N 480.377 3.680 50 1 JHGF Cc1c(C(=O)NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1C[C@H](C)O2 103203927 JCPSVNBTGSVKFN-LBPRGKRZSA-N 456.455 3.721 50 1 JHGF CCCCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 299862378 JNZFNICQODUZFO-UHFFFAOYSA-N 458.971 3.528 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587846575 FAZLCXQVROSHRL-BTDLBPIBSA-N 492.208 3.559 50 1 JHGF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccc(C#N)cc4)cc32)c(C)c1CCC(=O)O 40896364 PQEBQUDONNQITA-MTJSOVHGSA-N 469.501 3.770 50 1 JHGF COc1cc(OC)nc([C@H](O[Si](C)(C)C)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 211432024 PLLVOOYDKZYTLM-OAHLLOKOSA-N 465.526 3.696 50 1 JHGF CCN=C(NNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)S[C@@H](C)C(=O)OCC 1857747119 AUGLVZPCHUUQBV-INIZCTEOSA-N 497.573 3.520 50 1 JHGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)cc1 103199325 BFPGYRHRSQTPCL-YADHBBJMSA-N 494.960 3.927 50 1 JHGF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)CCl 587618192 OJMKIBXWKAHSGL-UHFFFAOYSA-N 466.903 3.625 50 1 JHGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 963557533 XPKMJKUCHMASAS-XLDCRYFJSA-N 490.943 3.702 50 1 JHGF CCOP(=O)(OCC)[C@@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1cccs1 1857554115 HQOBEVHNWCNXJO-QGZVFWFLSA-N 483.512 3.871 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587673797 QBZVLVPRUHAVCV-HUTHGQBESA-N 476.140 3.926 50 1 JHGF NNC(=O)c1cccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 587886487 RMGKBGGQJYLKSP-UHFFFAOYSA-N 482.367 3.886 50 1 JHGF CN(C)CCNc1cc(Cc2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccn3C)sc2n1 71318477 BHVURFXNAGIQAR-LQKURTRISA-N 475.622 3.545 50 1 JHGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(N2CCOCC2)cc1 963054602 IKQCFYDXMYURQD-XMMPIXPASA-N 468.395 3.864 50 1 JHGF COc1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(=O)O)c1OC 15961106 AIZWDKPECDMNDR-ZMFRSBBQSA-N 465.437 3.557 50 1 JHGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13862989 UBKWNMZGLKKYKI-CQSZACIVSA-N 451.310 3.812 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587684978 NIEUCYPSFGALFC-BIBXISHDSA-N 452.755 3.795 50 1 JHGF CCC[C@H](C[C@@H](CBr)OC(C)=O)OC(=O)C(Br)Br 2356795291 LTYROPIECNPDNS-BDAKNGLRSA-N 452.965 3.531 50 1 JHGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 618009477 UKBAKSHRJHOHKZ-CYBMUJFWSA-N 480.483 3.610 50 1 JHGF CN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587607560 NBSZOKWGLCUBQA-NZQKXSOJSA-N 473.934 3.884 50 1 JHGF O=C1OC(=O)c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)ccc21 586906668 OZQSPGVGIKTAIU-UHFFFAOYSA-N 453.863 3.995 50 1 JHGF CCOc1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248314 RZQPNAYCOBSLPC-MTDXEUNCSA-N 465.985 3.949 50 1 JHGF O=C(NNC1=C[C@@]2(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c2ccccc21)c1ccccc1 962640347 OLNDFRRVXCAIME-UQBPGWFLSA-N 495.457 3.717 50 1 JHGF CC(C)N=c1nc(NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)[nH]c(=NC(C)C)[nH]1 1857767662 QBHLQXGXTGFNOV-UHFFFAOYSA-N 495.591 3.809 50 1 JHGF COc1cccc(Br)c1[C@]1(CBr)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911019 YCRRTWRGGLEROO-KBXCAEBGSA-N 473.136 3.834 50 1 JHGF CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)CCl 139137952 SMVFICSBIUXYHT-RVMXOQNASA-N 476.228 3.810 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 618008087 AHTLZLMZYZBDHQ-UHFFFAOYSA-N 488.119 3.795 50 1 JHGF NNC(=O)[C@@]1(NC(=O)c2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 6003608 XGTAMSXGRUCMLO-VAVYLYDRSA-N 475.552 3.811 50 1 JHGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1 13779099 XJZFZYQZLMGXDL-UHFFFAOYSA-N 473.489 3.720 50 1 JHGF O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26165179 SKIPWTBNIZVKIC-LUIAGQEUSA-N 456.326 3.535 50 1 JHGF CC(C)C[C@H](NC(=O)OCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 1857561007 UGSQOLBBEBNGCO-SFTDATJTSA-N 460.958 3.569 50 1 JHGF C=C(CCCC(C)=O)[C@@H]1[C@H](OC(C)=O)O[C@H](OC)C(=CC=CC(C)(C)OO)[C@@H]1CC(=O)O 2356513356 WSQOTVHJIKBSCQ-JKLQHZFJSA-N 454.516 3.652 50 1 JHGF C[C@@H]1CCCCN1C(=O)N(Cc1cccc(C(=N)NO)c1)NS(=O)(=O)c1ccc2ccccc2c1 29346906 FJIYDNIQKFTEOQ-GOSISDBHSA-N 495.605 3.834 50 1 JHGF in-vivo COC(=O)[C@@H]1CCCC[C@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 141257486 CCWMWRRLZHZSIW-SYYKKAFVSA-N 478.618 3.864 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587839911 JFHDOKDKTUBWSD-MPBGBICISA-N 487.822 3.927 50 1 JHGF N#CC1=C(N)N(c2nnc3c4ccccc4nc(Sc4ccc(Br)cc4)n23)C(=O)C1 1911582891 HCJNZWUXNUAJRZ-UHFFFAOYSA-N 478.335 3.622 50 1 JHGF O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 28129548 RPQGRAJGQLQEFE-STBIYBPSSA-N 479.943 3.699 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539904 YNDHGRRJFRNGRM-JKFKMHIGSA-N 497.297 3.755 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587673799 QBZVLVPRUHAVCV-XLFHBGCDSA-N 476.140 3.926 50 1 JHGF C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)c2ccoc2C)cc1 15989800 IHHVYBNVWIERER-KSEXSDGBSA-N 458.316 3.799 50 1 JHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(I)c1OC 13586112 KYYRWMXKBFTLSJ-SFHVURJKSA-N 477.302 3.593 50 1 JHGF N#C/C(=C\C1CC1)C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 149434819 RCZJEMPRLHUVEZ-XMHGGMMESA-N 465.517 3.844 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587839914 JFHDOKDKTUBWSD-YUNKPMOVSA-N 487.822 3.927 50 1 JHGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675386 WRVPQDWKGPLGOF-RPBOFIJWSA-N 481.936 3.503 50 1 JHGF CCOC(=O)[C@@]1([C@@H](C)Br)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963468717 IURVDOXFJCIKOJ-LTJBIVKBSA-N 499.361 3.861 50 1 JHGF Cc1ccnc(NCCCCC(=O)NNC(=O)N[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13472612 VNWMBEFZMNRHEI-KRWDZBQOSA-N 482.368 3.825 50 1 JHGF N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCS1 45245778 CRHSKFMHHSVIQD-GUMHCPJTSA-N 459.552 3.965 50 1 JHGF COc1cc(NC(=O)c2ccc(F)c(NC(=O)[C@@H](C)Br)c2)cc(OC)c1OC 28954497 VUSVDNGEKSNFPI-SNVBAGLBSA-N 455.280 3.826 50 1 JHGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@@H]3C2=C[C@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 26749188 ATTSGKXQLOBIQJ-XGMHDIFGSA-N 455.986 3.818 50 1 JHGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cccc([N+](=O)[O-])c1 28227775 GHCUMAGOOXAFRU-OPEKNORGSA-N 475.336 3.869 50 1 JHGF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3O)OOC(C)(C)OO2 42851802 XDIPEPBABHKXDO-CBPRZPMUSA-N 495.657 3.831 50 1 JHGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)C[C@H](OC(C)=O)[C@H]2CC[C@]21O 145334758 WPIOQMPNSKHZNV-ZZVUKNRKSA-N 499.442 3.519 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2cccs2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504815534 HXBCXXIMAVRSRY-RSFJKROQSA-N 479.595 3.896 50 1 JHGF biogenic CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 587672521 GJHFNQXHJPERSA-XLFHBGCDSA-N 472.156 3.509 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587840402 KUHOFLYHZRAWBT-YUNKPMOVSA-N 487.822 3.927 50 1 JHGF COc1ccccc1/C=N\NC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12 82157893 DTQLRGKCNICIRA-DICXZTSXSA-N 456.502 3.540 50 1 JHGF O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@@H]1c3ccccc3N(OOSc3ccccc3)[C@@H]12 66128606 DOUSUFJZMPSFKS-AXISIGTESA-N 473.554 3.829 50 3 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587672642 GUKFQMJWYPGCFX-DYBLOJMWSA-N 472.152 3.565 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)CBr)N1 587673954 RXEMKAYWPXMFDS-FUXBKTLASA-N 457.963 3.677 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587678322 CGLSVPQRBHZEON-AYLIAGHASA-N 482.147 3.890 50 1 JHGF CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2ccccc21 1857620824 MZKVKTMKPZKPPZ-MHZLTWQESA-N 463.449 3.514 50 1 JHGF N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 102075885 LPRPHULGCMRTTA-ISKFKSNPSA-N 471.561 3.816 50 1 JHGF CO[C@@H]1C[C@H](Cl)[C@H]2C[C@H](C=C=CBr)O[C@H](C)[C@@H](O)[C@@H](C[C@H]1Br)O2 2356418962 BWMXTENBOUZINM-MELBPEENSA-N 474.617 3.522 50 1 JHGF C=CCc1ccccc1OC[C@@H](O)CN[C@]1(C)CCC[C@H](C(C)(C)NC(=O)CBr)C1 4475092 RTYBGDQNUBLFSW-MZLICYQSSA-N 481.475 3.983 50 1 JHGF Cn1c(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cnc1[N+](=O)[O-] 44145922 DVZHVUHKRSLELR-UHFFFAOYSA-N 485.136 3.512 50 1 JHGF C#CCN1C(=O)/C(=N/NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 103189571 FJJPITGYAFNFMY-MNXJYXHMSA-N 450.709 3.914 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1cccc(Cl)c1 199891191 QSFKOWYCUOLQQQ-ZWKOTPCHSA-N 462.293 3.889 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 84614591 OUKDLWAAMCMZEI-QYTLNCCGSA-N 450.604 3.884 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587683190 FTGBLPDAJSRWSR-GIPWTMENSA-N 452.755 3.795 50 1 JHGF Cc1cc2nc3c(nc2cc1C)[C@@]1(C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-])c1ccccc1-3 1772638704 XGHROOZLNALGLN-MHZLTWQESA-N 479.544 3.598 50 1 JHGF Cc1cc2nc3c(nc2cc1C)[C@]1(C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-])c1ccccc1-3 1772638703 XGHROOZLNALGLN-HHHXNRCGSA-N 479.544 3.598 50 1 JHGF O=C1S/C(=C\c2ccc(/C=C/c3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 170143783 VGCXUZCCIRRGSB-QUHUWWOHSA-N 459.307 3.912 50 1 JHGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CCl)(CCC(=O)OC)N2C(=O)OC(C)(C)C 962713165 UFJRRCYJSPXZEZ-XZOQPEGZSA-N 469.937 3.864 50 1 JHGF CC[C@]1([C@H](Cl)C(=O)OC)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963470893 MFAMQGBKKFCBCB-GLDPYIMESA-N 454.910 3.705 50 1 JHGF Cc1ccc2c(c1)[C@]1(C(=O)N2C)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857600078 GGIIQZLCNAKJLX-NDEPHWFRSA-N 477.476 3.823 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 618009362 WFSNTAHDIAITBI-UHFFFAOYSA-N 458.093 3.570 50 1 JHGF COc1cc(C(=O)NNC2=C[C@]3(CCC2)NCCc2cc(C)c(F)cc23)cc(OC)c1OC 962148716 ULGOOAOBFPYIJF-VWLOTQADSA-N 455.530 3.503 50 1 JHGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189512 WXDBDWJJBYKTSU-VCAYMJSRSA-N 472.685 3.890 50 1 JHGF O=C(COc1ccc2ccc(=O)oc2c1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1857544833 HIUGFZLXIUBMMD-GNVQSUKOSA-N 487.899 3.893 50 1 JHGF CC[C@H](C)C=CCCCCC=CC=CC=CC(=O)N[C@@H]1CO[C@]2(O)C=C[C@H](Cl)[C@H](O)[C@]2(O)C1 2356718739 FQBWNVBDQZRLFD-SQCBEVASSA-N 480.045 3.681 50 1 JHGF CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@](=O)(F)OC)nn3)cc2c1 49761892 YWNRULVIKPDTBL-UUWRZZSWSA-N 493.476 3.750 50 1 JHGF CC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253637583 WNTSIEPLTIQXKX-UYKRSHHDSA-N 452.950 3.713 50 1 JHGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963636094 OWLPFRMNUYXAIB-FKIZINRSSA-N 451.317 3.793 50 1 JHGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1cc2cc(Br)ccc2nc1Cl)c1ccncc1 1772623735 UIKWRTCLCKVQJJ-GJZGRUSLSA-N 466.122 3.881 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587673283 MBHSUOTYOIDLHA-VVVCHXIZSA-N 476.140 3.926 50 1 JHGF O=C(N/N=C\c1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2cccs2)cc1 4515540 HBKMBQATFFHYLH-UUYOSTAYSA-N 451.476 3.914 50 1 JHGF O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 299856406 BTXOGBBGMDOREF-UHFFFAOYSA-N 463.837 3.587 50 1 JHGF CC(C)Oc1c(Br)cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1B(O)O 962660136 HDPYFQVJNOKGFR-QHCPKHFHSA-N 466.184 3.818 50 1 JHGF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 73142290 DICADKCCOJVKBS-DJJJIMSYSA-N 453.543 3.725 50 1 JHGF COc1ccc2c(c1OC)[C@@]1(C(C=O)=COc3ccc(F)cc31)N(C(=O)c1ccccc1N)CC2 963137030 HKLOKRQFGXRDSJ-MHZLTWQESA-N 474.488 3.842 50 1 JHGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 963557528 XPKMJKUCHMASAS-KWRBSRFISA-N 490.943 3.702 50 1 JHGF Cc1ccc(C(=O)NNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(-c3ccccc3)o2)cc1 1857770180 CBTVDNNQSFIZKO-QHCPKHFHSA-N 483.524 3.763 50 1 JHGF CC[C@@]12CCC[C@H]3[C@H](C(=O)NNCCN4CCCC4)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 27983111 CAKDOPIJMFXYGK-XOBMUCMJSA-N 464.610 3.560 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@]42CC3=O 2356767561 DQNNONYJPZBYNN-BNYDICNDSA-N 495.755 3.866 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1 199891092 HTLSKHWPRPPXGD-ROUUACIJSA-N 462.293 3.889 50 1 JHGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(C#N)cc1 963142762 LSEVLRHMNOJYHI-MGPUTAFESA-N 478.368 3.900 50 1 JHGF N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 6147350 CNKLTZSVJNRDCM-INIZCTEOSA-N 465.362 3.521 50 1 JHGF N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc2[nH]ccc2c1 14944886 OBKFTXZDEKYDTC-HOFJZWJUSA-N 462.513 3.786 50 1 JHGF COCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40449769 SARVWGYKGSYLTK-SOMXGXJRSA-N 497.003 3.730 50 1 JHGF COc1ccc(OC)c(CO[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@@]2(C)O)[C@]53OO4)c1 1911581845 JGMQXHOXDHLKHU-GEBIETCYSA-N 450.528 3.543 50 1 JHGF Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCCBr)c3ccccc31)C(C#N)=C(N)O2 98081984 GJSSYRUQEVZFLS-XMMPIXPASA-N 490.361 3.685 50 1 JHGF O=C(Nc1ccccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12)c1cccc(B(O)O)c1 1772620640 UKAFMIJFPBJYFU-UHFFFAOYSA-N 472.313 3.967 50 1 JHGF C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618009381 WTSPSLHAROWOKT-LJQANCHMSA-N 489.707 3.905 50 1 JHGF COc1cc2c(cc1[N+](=O)[O-])C(=O)N(CCCBr)[C@@H]1c3cc4c(cc3C(=O)[C@H]21)OCO4 40567152 ABWVGNCXLQPRRV-RTBURBONSA-N 489.278 3.594 50 1 JHGF CC(=O)Nc1ccc2c(c1)/C(=C(\C)NNC(=O)c1cccc(C(=O)O)c1)C(=O)N2c1ccc(C)cc1 58581619 DEUSKROZNNPJCJ-JLPGSUDCSA-N 484.512 3.996 50 1 JHGF Cc1cn([C@@H]2C[C@H](COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195500393 RLOKZRNNBSSAFD-RTWAWAEBSA-N 475.662 3.588 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl 199891396 KCWGODQZLSGRLG-MSOLQXFVSA-N 462.293 3.889 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2cccs2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504815532 HXBCXXIMAVRSRY-DYLLQWIPSA-N 479.595 3.896 50 1 JHGF biogenic COc1ccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(Br)cc43)cc2)cc1 1857562693 BVMQCPNVMDVRQM-UHFFFAOYSA-N 493.317 3.796 50 1 JHGF OCCN=c1nc2c(cnn2C[C@H](Cl)c2ccccc2)c(Nc2cc(O)ccc2Cl)[nH]1 1857772811 BSXZBINSNZUPHA-KRWDZBQOSA-N 459.337 3.735 50 1 JHGF CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCC(O)(C#N)CC2)C1 95092801 BOHOQFXTRZASLV-GPYWDQNKSA-N 478.559 3.967 50 1 JHGF investigational C[C@]1(OC(=O)COc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 140054441 HQVHCYKHXCWAMC-MHFNLWBJSA-N 460.548 3.730 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672309 ZNAOMTOSJWVTMG-CKBSFLJSSA-N 499.174 3.872 50 1 JHGF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1/C=N/NC(N)=O 1857747353 OMJZETYPKHVJNK-IPPBACCNSA-N 494.515 3.617 50 1 JHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3ccccc3Cl)cc2)o1 1911574339 UQKZRFSSTNPGDQ-UHFFFAOYSA-N 484.921 3.689 50 1 JHGF CN(N=O)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 17196927 UECJVBXQPAZMKG-HXUWFJFHSA-N 456.499 3.518 50 1 JHGF CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Br)C1 587546684 XFJPNLRLRRTRIX-WWMYMODYSA-N 462.296 3.718 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587850269 PAFDKJIDEJSZBK-CWTRNNRKSA-N 469.401 3.984 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963138090 HSFFOLYQTPWMKZ-IERDGZPVSA-N 465.959 3.830 50 1 JHGF CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCCOC)OCCOC)SC 103222795 HNWQPOBQGLKGQW-BDBAMQCISA-N 490.490 3.594 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962627504 GLQBPKJJUBYQJU-CLCXKQKWSA-N 464.868 3.628 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962627512 GLQBPKJJUBYQJU-SPYBWZPUSA-N 464.868 3.628 50 1 JHGF N#CC1=C(C#N)[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2cccc(N)c2C1=O 962963759 YZWUNGWLNKPDFA-DEOSSOPVSA-N 464.447 3.723 50 1 JHGF C[C@@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 13779250 HNQDHHXMKWWUJH-NOKIDGAYSA-N 474.492 3.809 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@H]4c4ccccc4O)c[nH]c3c12 103214627 VNHWCCRONWAZTC-AZUAARDMSA-N 483.311 3.579 50 1 JHGF O=C(CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1)NNC(=O)Cc1ccccc1 299859223 FNAIBPPMYSAHFJ-UHFFFAOYSA-N 492.988 3.580 50 1 JHGF O=CC1=COc2c(Br)cc(Br)cc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962920872 MVHXFJJNZQGANB-HNAYVOBHSA-N 497.114 3.668 50 1 JHGF Cc1[nH]nc2c1[C@](c1cc(N3CCCOCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772642160 WACZDTXADRENDX-QFIPXVFZSA-N 461.488 3.992 50 1 JHGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 40441873 MUQNGPZZQDCDFT-GPSQPDJPSA-N 454.966 3.889 50 3 JHGF in-man CC(=O)Nc1ccc(S/C(N)=C(C#N)/C(C#N)=C(\N)Sc2ccc(NC(C)=O)cc2)cc1 40461464 QRSCEZBRWDSYRJ-FLFKKZLDSA-N 464.576 3.876 50 1 JHGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 618017484 LGZDQUABWHCOKI-ZBFHGGJFSA-N 452.671 3.805 50 1 JHGF COc1ccc(Br)cc1[C@@]1(CBr)NCCc2c(C(=O)O)cccc21 963133795 SQLQZSOOGKKYEP-SFHVURJKSA-N 455.146 3.940 50 1 JHGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@@H]3C2=C[C@@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 26749178 ATTSGKXQLOBIQJ-XOLNUPGXSA-N 455.986 3.818 50 1 JHGF CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408094 FFPIUXFCRAEOOC-NRFANRHFSA-N 481.412 3.863 50 1 JHGF CC(C)C[C@H](N[C@@H](CCc1ccccc1)C1OO1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C1OO1 43871862 NOMIXJFPXCFDNP-HJOGWXRNSA-N 479.577 3.777 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587851047 UPBAWBHQGYUKNB-HXPMCKFVSA-N 469.401 3.984 50 1 JHGF O=C1COc2cc([C@]3(CCl)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c(Cl)cc2N1 962761994 IQDXNGPLHQJMTK-HNAYVOBHSA-N 459.251 3.799 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2ccccc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504643110 JOCSYNPDAMGNJA-SNOAKVLZSA-N 487.593 3.877 50 1 JHGF biogenic Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857582995 MJTXVFDSHJXYLW-HHHXNRCGSA-N 463.449 3.799 50 1 JHGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c1C)[C@@H](C2)C3=O 587450164 RSWPOXXZKKJCJY-RDPSFJRHSA-N 486.977 3.632 50 1 JHGF Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(C#N)cc3)n2-c2ccccc2)s1 103238662 KAEZMWYFPKJHDV-LKUDQCMESA-N 464.601 3.962 50 1 JHGF CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@H]2C[C@@H]1O 2356789915 DWJVGNLWBNHYRR-HWZOXYCHSA-N 480.985 3.576 50 1 JHGF C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 73156979 XKGDMUIDORFBTK-XWZBXYCWSA-N 489.609 3.834 50 1 JHGF COC(=O)CCCC#CC#C[C@@H](Br)[C@@H](O)CCCCC#C/C=C/Br 238757602 JJSKWMHHQMBMHV-QYWGPIJCSA-N 458.190 3.933 50 1 JHGF CC(=O)O[C@@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O 27874240 FSUCSZKGFXRWKL-KBUPBQIOSA-N 456.109 3.996 50 1 JHGF O=C(CCl)Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 29046521 WMOZWENEBSQTRU-XMMPIXPASA-N 499.905 3.762 50 1 JHGF N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 102075889 LPRPHULGCMRTTA-VWNXMTODSA-N 471.561 3.816 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](O)[C@@H](Br)C#C/C=C/Br 238785084 FDCPNRDPYOQPJY-JCZBNBMJSA-N 458.190 3.933 50 1 JHGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CBr)[nH]c4c3)cc2)CC1 586972563 WTNZJTYSNMEKCY-UHFFFAOYSA-N 456.388 3.500 50 1 JHGF C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](N)[C@@H]1O 43470210 YKMLLJFPFAASLT-MSJVDHAUSA-N 455.470 3.735 50 1 JHGF O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 2356732465 RAQQAYSKOLXPNE-BBPVLXATSA-N 495.576 3.863 50 1 JHGF Cc1[nH]nc2c1[C@](c1cc(F)cc(N3CCC(CCC(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772627832 MARQRCANXIMJDC-VWLOTQADSA-N 467.545 3.967 50 1 JHGF CC1=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@H]5OO[C@]52[C@H]1O)[C@@]31CC(=O)c2cc(C)cc(N)c2O1)C4(C)C 587409191 QLSDXJYGKKQCSX-AAIBUGQGSA-N 493.600 3.518 50 1 JHGF CS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587606049 GAUMHIDWIUQWOB-XUZZJYLKSA-N 485.945 3.810 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587852319 FKJLDZGZEXBDAZ-MLCYQJTMSA-N 460.800 3.876 50 1 JHGF COC(=O)[C@@H]1C[C@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 64528387 SHPQMCUDHJJTAU-CEFSSPBYSA-N 453.329 3.832 50 1 JHGF CCOC(=O)[C@@]1([C@H](C)Br)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963468714 IURVDOXFJCIKOJ-BSTGMLCMSA-N 499.361 3.861 50 1 JHGF O=C(NCC1CCNCC1)c1ccccc1SSc1ccccc1C(=O)NCC1CCNCC1 29469271 BAYQOIMFEVCLFD-UHFFFAOYSA-N 498.718 3.945 50 1 JHGF CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 66103284 UCIGILVYQNMDBL-UHFFFAOYSA-N 466.413 3.906 50 1 JHGF COc1ccc(-c2cc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)no2)cc1 66259277 XMXPBZPNUREWPG-UHFFFAOYSA-N 471.315 3.582 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539915 YNDHGRRJFRNGRM-RVSNTGDXSA-N 497.297 3.755 50 1 JHGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962969351 DUPJFHJWLXFHSI-OPAMFIHVSA-N 469.315 3.999 50 1 JHGF C=C(C)CN(NC(=O)NCCCN1CCN(c2ccccc2OC)CC1)c1ccc(OC)cc1 1857571481 DOOIOZMDLUKTNX-UHFFFAOYSA-N 467.614 3.513 50 1 JHGF CC(C)Oc1c(Br)cc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1B(O)O 962660132 HDPYFQVJNOKGFR-HSZRJFAPSA-N 466.184 3.818 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCN(C)CC4)n3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49723166 HBZUTAVATONYOZ-JSSMPDEPSA-N 459.631 3.696 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 58597187 PKRUHBYJBPPQKN-FHMSFIGDSA-N 452.975 3.731 50 1 JHGF CCn1c2ccccc2c2cc(C=NNC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 253676630 HRFARLBNXZNAGH-UHFFFAOYSA-N 491.515 3.791 50 1 JHGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccc(Br)c1 473124136 WGOOFENINKPGGD-ZMOGYAJESA-N 453.296 3.626 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)CBr)c1 587874551 BFHHNAABENQILW-UHFFFAOYSA-N 455.135 3.987 50 1 JHGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccc(Cl)nn2)N1 962707770 YFOIFACYOHMKBY-NHYWBVRUSA-N 468.632 3.525 50 1 JHGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@H](CC(=C)C=O)O[C@@H]4C[C@@H]3O[C@H]2CC[C@]1(C)O 2356646573 HINDCSLBLBWIIV-PSOLPHHWSA-N 490.637 3.566 50 1 JHGF CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cccc(NC(=O)CBr)c2)c1 17423929 UUTWGFLLDPMIJC-UHFFFAOYSA-N 485.430 3.771 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCc2ccccc2)c2ncccc2c1 205199544 AZOGTMSPTFNYPV-QGZVFWFLSA-N 450.543 3.538 50 1 JHGF C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](OC(=O)/C(C)=C\C)[C@H]1O 238742085 DGJSOBCOIVBILD-HJXYWPHLSA-N 485.017 3.605 50 1 JHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(N1)c1ccccc1OC[C@H]2Br 962641624 YAWAPKWCAJEBSP-LESCRADOSA-N 458.230 3.584 50 1 JHGF CCn1c([C@H](CCCNC(=N)CCl)NC(=O)c2ccccc2C(=O)O)nc2ccccc21 1857753733 LCDQYRDGOGPQBO-SFHVURJKSA-N 455.946 3.811 50 1 JHGF CC(C)CCn1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O 103687192 DAEYIPKVYWCUSU-UZYVYHOESA-N 457.490 3.969 50 1 JHGF O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103282412 MSUZTFPOEONGOK-KBPBESRZSA-N 453.311 3.518 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 587373860 TXEDPFOBEGBOGL-SPVCGCOMSA-N 481.184 3.519 50 1 JHGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1 103199323 BFPGYRHRSQTPCL-FGZHOGPDSA-N 494.960 3.927 50 1 JHGF Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 261158834 QLOZVFOLCJIVGA-IYARVYRRSA-N 485.631 3.756 50 1 JHGF CC/C(=N/NC(=O)c1ccc(Br)cc1)c1ccc(OCCN2CCOCC2)cc1 33291662 CRBYLIIRDNTBFF-FLFQWRMESA-N 460.372 3.704 50 3 JHGF O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 29560520 AGDLSQLJPDLHNV-INIZCTEOSA-N 468.341 3.517 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587684984 NIEUCYPSFGALFC-YBTHPKLGSA-N 452.755 3.795 50 1 JHGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1857753749 OTZMSWYMYPXLDS-NFVVUBBGSA-N 489.469 3.882 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2N1 587686423 VBEONEDYHWEYQD-JJFKOLPGSA-N 456.787 3.772 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 618009345 VVEJZHITIWPTOG-UHFFFAOYSA-N 494.510 3.670 50 1 JHGF CC1(C)C[C@@H](Cl)[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356722587 KYMPMBARXJWTMI-ZALBTGBISA-N 461.747 3.706 50 1 JHGF COC(=O)N/N=C(\C)[C@H](CN1CCOCC1)[C@H](c1ccccc1)c1cc2ccccc2oc1=O 38807368 PGQGAVVWIXPQMZ-RMDLFACRSA-N 463.534 3.605 50 1 JHGF CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2-c2ccccc2)cc1Cl 45314671 QMFIDDNCFJQAKU-UHFFFAOYSA-N 458.927 3.980 50 1 JHGF CCO[C@H](C(=O)N/N=C/c1cc(OC)c(Br)c(OC)c1)c1ccc(-n2cccn2)cc1 68198217 BZLLDUWCQPWMTL-GQBLCDNYSA-N 487.354 3.880 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587683193 FTGBLPDAJSRWSR-PRWKNARSSA-N 452.755 3.795 50 1 JHGF OB(O)c1cc(OCc2ccccc2)ccc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955977 NWJJZVHWAWBTHN-RUZDIDTESA-N 497.322 3.705 50 1 JHGF O=C1/C(=C/c2ccc3c(c2)OCO3)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc2c(c1)OCO2 1911581730 YJSGRMODJUBTNS-IAGONARPSA-N 474.296 3.826 50 1 JHGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](O)C[C@H]1C(=O)c1c(O)cc(O)cc1C2=O 2356789918 DWJVGNLWBNHYRR-YHVVQOCTSA-N 480.985 3.576 50 1 JHGF CN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587607563 NBSZOKWGLCUBQA-REWPJTCUSA-N 473.934 3.884 50 1 JHGF CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@@H]2C[C@@H]1O 2356789916 DWJVGNLWBNHYRR-JPZVHPGUSA-N 480.985 3.576 50 1 JHGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)NN)cc1)C2 64550029 AXQJJRVPBJDFFX-UHFFFAOYSA-N 454.958 3.636 50 1 JHGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@H](O)[C@@H](O)C5(C)C 2356555523 YHDIJLPLKAVAQV-OSDXSNNJSA-N 457.014 3.919 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@H]21 253697356 FJSNMFMAHCSLAJ-JCAJBDHUSA-N 468.949 3.645 50 1 JHGF Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc3ccc(=O)oc3c1)C(=O)N2Cc1ccccc1F 1857616535 YMYYMRCGXYEUKH-BXVZCJGGSA-N 485.471 3.687 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl 199891338 KCWGODQZLSGRLG-ROUUACIJSA-N 462.293 3.889 50 1 JHGF CN(C)C(=O)c1csc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962695661 JJFQKRACEWIWCD-KSSFIOAISA-N 464.868 3.689 50 1 JHGF C[C@@H]1N[C@@H](C(=O)NNC(=O)CCNc2ccnc3cc(Cl)ccc23)Cc2c1[nH]c1ccccc21 1911571264 CJROLKFZNMADTG-RCDICMHDSA-N 476.968 3.594 50 1 JHGF CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)C=C[C@H](C)[C@H](O)[C@H](C)CC=C[C@@H]3[C@@H]1OO 2356780554 YZMKUCUMIIGSIT-TWJFGJLOSA-N 465.590 3.873 50 1 JHGF CO[P@@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1 49762598 AWXFQBALFFHPIR-WJOKGBTCSA-N 483.506 3.565 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672313 ZNAOMTOSJWVTMG-SLIIYKDFSA-N 499.174 3.872 50 1 JHGF CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607548 NBIVODVHEAVFOH-KNQAVFIVSA-N 459.907 3.860 50 1 JHGF CC1=C([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 963095548 COKQCUSDVVPOIU-GJYHUBHWSA-N 456.521 3.950 50 1 JHGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccc(Br)cc1 473123838 VTIIGIRGSBNOIC-ZMOGYAJESA-N 453.296 3.626 50 1 JHGF COc1cc(C(=O)NN=Cc2ccc(N(CCCl)CCCl)cc2)cc(OC)c1OC 254128290 KLYSZBKELNHMBM-UHFFFAOYSA-N 454.354 3.760 50 3 JHGF COc1cccc(/C=N/NC(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c1 28228960 OOEHUNMWNUVTNP-RPPGKUMJSA-N 460.365 3.969 50 1 JHGF O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)CBr)[C@@H]1c1ccc(F)cc1 587322637 NQSNANPVXPWTFX-SJLPKXTDSA-N 472.104 3.988 50 1 JHGF CCC(=O)N[C@H](C[C@H](C)C(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@H]1C[C@H](C)C(Cl)Cl 2356383156 BWRBCPLQKLOCKU-NNYUYHANSA-N 476.228 3.809 50 1 JHGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccccc4OC)cccc2-3)cc1 14945677 VJHPFFNCLILCCX-UHFFFAOYSA-N 483.484 3.772 50 1 JHGF CC(C)C[C@H](C(=O)NN)N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 95555049 OIOVWRDLQWPEDX-GOSISDBHSA-N 477.936 3.954 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(C)cc1O 72109218 NYHZTTCRPCXIIO-IRCXXISZSA-N 468.926 3.526 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2cccc3ncccc23)cc(OC)c1Br 84726722 YWAKRPMWWLLQDG-BLTFUYFMSA-N 458.312 3.852 50 1 JHGF CC/C(Br)=C\C=C\[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 238760040 UTNSPXWSOISNAK-FHBUVJKLSA-N 487.026 3.938 50 1 JHGF COc1ccc2c(c1)CCN1O[C@@]3(C[C@H]21)[C@@H](OC)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@]41OO2 473150990 NYHUSDNLEVWZGE-UYVBGYTFSA-N 473.566 3.887 50 1 JHGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 618008218 VEHQOXIYHBNRLH-OAHLLOKOSA-N 464.484 3.905 50 1 JHGF O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103284639 HNZKLPGDQWAHPN-KGLIPLIRSA-N 453.311 3.518 50 1 JHGF COc1cc2c(cc1C(=O)Nc1ccc(C(N)=O)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857649742 MTHLZJWDCNEOIV-WXVAWEFUSA-N 457.530 3.925 50 1 JHGF C[C@@H]1[C@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O 85549455 ARLRMZJBOIITDX-USYIUDRZSA-N 463.713 3.919 50 1 JHGF biogenic,in-vitro COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CC[C@](C)(C=C[C@@H]3OC(=O)C=C3C)OO)[C@](C)(O)C[C@@H](O)[C@@H]21 2356410932 FWUBFQSZJNVEKR-RKHDFWKLSA-N 480.598 3.560 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1)B(O)O 195469219 SNSWZWXKTGMCIZ-IGKWTDBASA-N 484.833 3.941 50 1 JHGF O=C(CBr)NCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586971822 ZLENAKYHIWSFJO-UHFFFAOYSA-N 467.161 3.958 50 1 JHGF N#CCC(=O)NN/C(=C\[C@]1(C(F)(F)F)c2c(F)cccc2C[C@@H]2CCCN21)C(F)(F)F 963117311 YJLKOLMOJREDDF-IWXIUMPSSA-N 450.358 3.584 50 1 JHGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)/C(=C\c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963529169 VLVBRUOSEAZHMZ-WDTBKHKSSA-N 476.916 3.573 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 58587232 WWDZEXIJJNQHFV-ZDLKHGCSSA-N 452.950 3.665 50 1 JHGF N#Cc1ccc(C(=O)CCNCCSSCCNCCC(=O)c2ccc(C#N)cc2)cc1 66252556 AKGXRJMBHFIGMJ-UHFFFAOYSA-N 466.632 3.836 50 1 JHGF CCNC(=O)COc1ccc(Cl)cc1OC(=O)c1cc2cc(CCl)ccc2oc1=O 28703741 YIKIVYBNOKVJRO-UHFFFAOYSA-N 450.274 3.919 50 1 JHGF O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(I)cc1O 1857561224 AMGKKCAPKKIWRJ-UHFFFAOYSA-N 482.130 3.935 50 1 JHGF CCn1c(C)c(C(C)=O)s/c1=N\NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857752953 RDEDWHOXMFRYLJ-RFBIWTDZSA-N 477.542 3.865 50 1 JHGF O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103284635 HNZKLPGDQWAHPN-ZIAGYGMSSA-N 453.311 3.518 50 1 JHGF O=C(CN1CCOCC1)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 222653725 FPTREXUZPQRUQN-UHFFFAOYSA-N 494.423 3.885 50 1 JHGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(O)cc3)ccc21 1857759253 QCKFRVLTTTYFIE-HHHXNRCGSA-N 477.536 3.722 50 1 JHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2CO)cc(Br)c1OC 36412279 BNVXPQZDGJVZBC-GOSISDBHSA-N 456.296 3.589 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669955 HJHLLXLEPIXIJR-CKBSFLJSSA-N 499.174 3.872 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 618008287 DKNXPIBZBJNCIY-KRWDZBQOSA-N 488.119 3.795 50 1 JHGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@H]3C2=C[C@@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 26749183 ATTSGKXQLOBIQJ-MDLUHXDXSA-N 455.986 3.818 50 1 JHGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 100951148 OZTPEXGZPRICIF-GASCZTMLSA-N 477.633 3.509 50 1 JHGF O=C(N/N=C\c1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 4515541 HGMPIHXOLKOQSE-ZMFRSBBQSA-N 491.447 3.968 50 1 JHGF O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C1C(=O)Nc2ccc(Cl)cc21 1857549293 HKIYBUGGPYJRQZ-UHFFFAOYSA-N 489.944 3.604 50 1 JHGF COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)c2c1 72109097 JLVOGJOWNPAWPS-WYMPLXKRSA-N 455.536 3.820 50 1 JHGF CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(O)cc(-c2ccc(F)cc2F)c1 618017560 NPBUVZZQNVTZRK-UHFFFAOYSA-N 483.606 3.517 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841938 SOASEDWBQSVXBT-XCLFUZPHSA-N 489.838 3.697 50 1 JHGF Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587008200 LUTWFXNLSZIYNK-HNNXBMFYSA-N 480.377 3.680 50 1 JHGF CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 28369309 UTNLOOCRJDXVPI-UVAGCALHSA-N 457.659 3.711 50 1 JHGF COc1ccc(NC(=O)NNC(=O)c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2C)cc1 1857606648 HOUGDZIWDVREEX-UHFFFAOYSA-N 466.494 3.558 50 1 JHGF CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H](N)c1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765118 FVVYYVKMTMRURS-KKHWHHMASA-N 452.467 3.550 50 1 JHGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCl)C(=O)CCl 299806475 SBDOUSXMESRNJK-XPKLFVAYSA-N 487.395 3.932 50 1 JHGF NC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587319494 BWVCJAWOEHMZLU-REWPJTCUSA-N 486.293 3.985 50 1 JHGF COc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962973218 JOSTUJXVKZMRAQ-YJYMSZOUSA-N 476.701 3.873 50 1 JHGF CC1(C)C[C@H](Cl)[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356722585 KYMPMBARXJWTMI-FINPGKJESA-N 461.747 3.706 50 1 JHGF CC(=O)O[C@@H]1[C@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O 27874262 FSUCSZKGFXRWKL-GBJTYRQASA-N 456.109 3.996 50 1 JHGF Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587542090 FQGAABOUTHRNBP-GBXCKJPGSA-N 450.878 3.679 50 1 JHGF N#Cc1cnn2c(Nc3ccc(N(CCCl)CCCl)cc3)cc(CN3CCC(O)CC3)nc12 1772643581 JZAJQRFNOJYVOG-UHFFFAOYSA-N 488.423 3.585 50 1 JHGF CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](Cl)[C@H]2SC1 13765862 YFFNJWCMUGIYOE-PGRDOPGGSA-N 457.935 3.659 50 1 JHGF CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447433 ABGMQZJQQVLRNX-XMSQKQJNSA-N 494.407 3.764 50 1 JHGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCl)(c2ccc3nc(O)[nH]c3c2)N1 962929799 UHLGIQSMGKAJPH-URXFXBBRSA-N 465.893 3.848 50 1 JHGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc2c(c1)OCCO2 28230162 FYAAILWIPJYLHO-KKMKTNMSSA-N 488.375 3.732 50 1 JHGF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4[N+](=O)[O-])cc32)c(C)c1CCC(=O)O 40896002 ZTIOBQBKOVYRPF-PDGQHHTCSA-N 489.488 3.807 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)CBr)N1 587672834 IKFFMAOACGRXJD-FUXBKTLASA-N 457.963 3.677 50 1 JHGF COC(=O)C[C@@H]1[C@@H](Cl)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=N\NC(=O)c1ccncc1 1857581315 AOTUVEVKKXNPKA-NALGKMIZSA-N 454.043 3.994 50 1 JHGF CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1CC(C)C 1857630672 OXEOYTJUKNUGJH-UHFFFAOYSA-N 473.533 3.912 50 1 JHGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(C#N)cc1 963142764 LSEVLRHMNOJYHI-QRWLVFNGSA-N 478.368 3.900 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CN1C(=O)c2ccccc2C1=O 587539200 UURZSWNVCHNRKO-YADARESESA-N 494.297 3.784 50 1 JHGF C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]1C(C)=CC=O 2356377483 AGFFLAGKMOJHPV-BDVBWOLYSA-N 490.549 3.532 50 1 JHGF CC1=C(C=O)C(=O)O[C@@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356445972 UZJYJCDYFRLVKM-XKDMLICJSA-N 468.590 3.560 50 1 JHGF N#C/C(=C(/O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 101760826 RPDHUWLJRMPJDV-MNDPQUGUSA-N 465.362 3.981 50 1 JHGF O=C(NN=Cc1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 585656430 GPGJEJUNCOOXHD-QBRBXANFSA-N 474.529 3.521 50 1 JHGF biogenic Cc1ccc2c(c1)[C@@]1(C(=O)N2C)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857600077 GGIIQZLCNAKJLX-MUUNZHRXSA-N 477.476 3.823 50 1 JHGF O=C(NNC(=S)NCc1ccc(-c2ccccc2)cc1)[C@@H]1CNc2cc(Cl)ccc2O1 96285270 AMBNHRKSVDUTMT-NRFANRHFSA-N 452.967 3.875 50 1 JHGF O=C1C[C@](CBr)(CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500580 SNKQJEFOAFSBNG-QHCPKHFHSA-N 454.320 3.961 50 1 JHGF Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-] 653689429 MEWMDKQOKDBFDU-NDEPHWFRSA-N 492.539 3.630 50 1 JHGF CC(=O)[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 71789545 BGZLQUWXDWMXIR-RYRQIHONSA-N 454.941 3.935 50 1 JHGF C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccc(Cl)cc1 84671490 XPDWCQMOAYLTHH-BFWPAWLWSA-N 476.924 3.986 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)CC2=O 587488957 UAESPZHYEMMRGU-FQEVSTJZSA-N 458.001 3.597 50 1 JHGF Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 40914399 BWIWFZHJEXLDSF-UHFFFAOYSA-N 475.603 3.748 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CS(=O)(=O)c1ccccc1 587611173 ZLZIZKIIMQYWJC-KNQAVFIVSA-N 489.343 3.961 50 1 JHGF COc1ccc2nccc([C@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4[C@H](C)I)c2c1 2356524201 UWVMXKAGINOCHU-ZBJMZUNLSA-N 452.336 3.811 50 1 JHGF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCl)CC2 38381022 FDBGTRQUXLLWBF-KRWDZBQOSA-N 461.942 3.871 50 1 JHGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 103019282 SUQGDEQDNJUIEA-GFJKYASSSA-N 451.504 3.704 50 1 JHGF CCOC(=O)[C@]1([C@H](C)Br)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963468724 IURVDOXFJCIKOJ-ULNAFTNLSA-N 499.361 3.861 50 1 JHGF N#CC1=C(N)OC(c2ccccn2)=C([S@@](=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1857753750 OTZMSWYMYPXLDS-NVXHTHCOSA-N 489.469 3.882 50 1 JHGF Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2)cc1 1857572729 ZKAGYHBDRORNQC-KVSWJAHQSA-N 479.920 3.836 50 1 JHGF COc1ccc(OC)c(CO[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@@]2(C)O)[C@]53OO4)c1 1911581846 JGMQXHOXDHLKHU-LOTCWXBZSA-N 450.528 3.543 50 1 JHGF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C(/S)Nc3ccccc3)cc2)c1C 1911580330 HYLLZEIVAZJUCJ-DYTRJAOYSA-N 469.548 3.808 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCCCC3)nc2)cc(OC)c1Br 84725278 CQEVELXTQXXMML-LHXREVONSA-N 491.386 3.689 50 1 JHGF CC1=C(CO[P@](N)(=O)N(CCBr)CCBr)C(=O)c2ccccc2C1=O 100870346 SQVVKJQBBOHTRA-VWLOTQADSA-N 494.120 3.557 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)C(=O)C(=O)OC)CC2=O 587453964 SZDDOYDSZREVLJ-UNMCSNQZSA-N 461.308 3.711 50 1 JHGF CS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533253 RWTFSNOXCPKGSK-HXUWFJFHSA-N 450.354 3.620 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587684980 NIEUCYPSFGALFC-GIPWTMENSA-N 452.755 3.795 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587849771 NQMQGKPBCNYQMT-BTDLBPIBSA-N 492.208 3.559 50 1 JHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@@]13OO2 100830787 GWNVRBDHQSEZAV-UQCWTDEESA-N 491.581 3.568 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl 587879957 MQPUTQHLSANPJC-UHFFFAOYSA-N 454.697 3.789 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(C=O)=C[C@@H]2[C@@H]2C(C)(C)[C@@]12OC(=O)C(C)C 2356712061 OBNLKIYUNMSGTC-ADDYXAEISA-N 498.616 3.746 50 1 JHGF CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1 13804305 IKPLZAVNANYUMR-UHFFFAOYSA-O 467.615 3.679 50 1 JHGF NC(=O)COc1ccc([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962962740 XBJJFJRESVEXFH-JOCHJYFZSA-N 468.903 3.703 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)c3cccc(Br)c3CCN2C)on1 963281213 QMGAALDWBJLLLC-QGZVFWFLSA-N 458.150 3.740 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@@H]1CCCN1C(=O)C(F)(F)F 587544502 FENYGKMJYZWJFW-FTRWYGJKSA-N 455.816 3.885 50 1 JHGF CCOC(=O)[C@H](Cl)[C@]1(CC)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963150350 DUOFDTROCHYQSM-URXFXBBRSA-N 460.958 3.760 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587839741 ICAWJAPOAWQVPY-VOJFVSQTSA-N 495.867 3.758 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587846942 FAZLCXQVROSHRL-QGHHPUGFSA-N 492.208 3.559 50 1 JHGF COc1ccc(N2C(=O)c3ccccc3[C@@H](C=NNC(=O)c3ccc(C)cc3)C2=O)cc1OC 1857580075 YBMSTDLIYPNCFF-OAQYLSRUSA-N 457.486 3.699 50 1 JHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1 31500235 ZTDKWGJYVGKBGW-CQSZACIVSA-N 456.776 3.828 50 1 JHGF C[C@H](S[C@@H](C)C(=O)NN=Cc1c[nH]c2ccccc12)C(=O)NN=Cc1c[nH]c2ccccc12 263609900 VOZVLRIHFOWAOG-HOTGVXAUSA-N 460.563 3.760 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587840477 LKWWOAJTVCKCSR-ZMZPIMSZSA-N 461.784 3.976 50 1 JHGF Cc1ccc(-n2nc(C)c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)c2Oc2ccccc2)cc1 1857545230 VURMDJTYWYNTGZ-LGJNPRDNSA-N 473.493 3.845 50 1 JHGF C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 169373613 XKGDMUIDORFBTK-KPWBNNEJSA-N 489.609 3.834 50 1 JHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2cccc(F)c2[N+](=O)[O-])N1 963222662 HCUHKPVDRWPWKK-PXNSSMCTSA-N 460.259 3.520 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](C)[C@@]2(O)[C@H](C=C(C=O)C[C@H]3C(=O)C(C)=C[C@H]32)[C@H]2C(C)(C)[C@]21OC(=O)C(C)C 2356712064 OBNLKIYUNMSGTC-IHSOPDIASA-N 498.616 3.746 50 1 JHGF C#CCN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587189832 DNBRTBNRZUFOTJ-UHFFFAOYSA-N 465.513 3.551 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587851045 UPBAWBHQGYUKNB-BUXKBTBVSA-N 469.401 3.984 50 1 JHGF Cc1cc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4O)c(=O)c23)ccc1Cl 73237833 AKDNFFRXUWESHB-YCPBAFNGSA-N 452.923 3.943 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@@H](C)NC3=NC=N[C@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F 169700737 VVSYBPIXJIERDK-XNVILDLWSA-N 495.942 3.505 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195376315 DYJGGZRLTCJHGG-PSBWJHGTSA-N 481.742 3.986 50 1 JHGF CC1=C(C=O)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356445971 UZJYJCDYFRLVKM-QCJTWLLVSA-N 468.590 3.560 50 1 JHGF Cc1cccc(N2CCN(C(=O)CN(/N=C/c3ccccc3Cl)C(=O)c3ccncc3)CC2)c1 28345334 FXJYPIHGYGNPCR-RDRPBHBLSA-N 475.980 3.869 50 1 JHGF O=C(CN(/N=C/c1ccc(Cl)cc1)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 28345339 UOLAUQOMPZTEEU-STBIYBPSSA-N 479.943 3.699 50 1 JHGF CN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587607558 NBSZOKWGLCUBQA-NFBKMPQASA-N 473.934 3.884 50 1 JHGF CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963840676 BMXOAXUGBWAPQW-XKPFWTEKSA-N 497.972 3.560 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C 2356308255 GFHLPTYSQVDNKX-HFRKXTCESA-N 478.925 3.805 50 1 JHGF COC(=O)c1cccc(Cn2c(Cl)c(/C=N\NC(=O)c3ccccc3Cl)sc2=O)c1 15985574 DGTOGNZHXKNONK-RMORIDSASA-N 464.330 3.815 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@@H]4C(C(N)=O)=C[C@H](Cl)C=C34)c2)cc1F 261179974 VVSYBPIXJIERDK-UMLSUDCWSA-N 495.942 3.505 50 1 JHGF NNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43079837 PAOHRUBSNXNGIG-CHYBTZLKSA-N 484.600 3.739 50 1 JHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@]13OO2 43328020 GWNVRBDHQSEZAV-FPTDWKCBSA-N 491.581 3.568 50 1 JHGF CC(C)N(CCNCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(C)C 84711294 VXIZVJOTEZEHMX-HSLKOAHSSA-N 454.652 3.919 50 1 JHGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](Br)CBr 95754999 MWBCSJGUOPXLDB-KBPBESRZSA-N 451.155 3.987 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169728597 OUKDLWAAMCMZEI-SJKZBJCDSA-N 450.604 3.884 50 1 JHGF NNC(=O)c1ccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587878995 FHVVMSKEPQMSQL-UHFFFAOYSA-N 482.367 3.886 50 1 JHGF COc1cc(O)c2c(c1)C(=O)c1cc(C(Br)Br)cc(OC)c1C2=O 29343515 HQJRADRJHHXNRX-UHFFFAOYSA-N 456.086 3.973 50 1 JHGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cncs1 170101016 KWEAONYBPFXGPU-HXUWFJFHSA-N 451.357 3.580 50 1 JHGF NNC(=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1-c1ccccc1 28380602 NXZHOWKUTCTNKC-UHFFFAOYSA-N 458.485 3.672 50 1 JHGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@H](CC(=C)C=O)O[C@@H]4C[C@@H]3O[C@H]2CC[C@@]1(C)O 2356646571 HINDCSLBLBWIIV-HABWHNACSA-N 490.637 3.566 50 1 JHGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CCl)C(=O)CCl 299806474 SBDOUSXMESRNJK-BVZHLSAESA-N 487.395 3.932 50 1 JHGF Cc1ccc([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)s1 963663276 ABWKIIDCOUXYKM-WATLYSKOSA-N 485.005 3.652 50 1 JHGF CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]1(O)[C@]1(C)[C@H](O)C[C@H](Br)C1(C)C 140698933 YZHYAKQANFUWDQ-IIVKZSCBSA-N 490.660 3.765 50 1 JHGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543297 KBPSNPLSGUSUDW-YDHSSHFGSA-N 479.286 3.931 50 1 JHGF CS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587606050 GAUMHIDWIUQWOB-ZJSXRUAMSA-N 485.945 3.810 50 1 JHGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1nc[nH]n1 963174144 AXHKZEVASDSJRI-IFXJQAMLSA-N 488.297 3.966 50 1 JHGF NS(=O)(=O)c1ccc(N/N=C/c2cc(C(=O)N/N=C\C=C\c3ccccc3)c3ccccc3n2)cc1 95555332 FOSBQJPLHAAGFT-OMJPBHNBSA-N 498.568 3.757 50 1 JHGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545651 RYYLCVHCELSLRS-QLWBXOBMSA-N 462.889 3.788 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)CBr)N1 587673953 RXEMKAYWPXMFDS-CPFSXVBKSA-N 457.963 3.677 50 1 JHGF Cc1cn([C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171175 JIMNASJSRXLXKJ-SFTDATJTSA-N 488.657 3.761 50 1 JHGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccccc1Br 473121671 QNKOONNEQJVDCR-ZMOGYAJESA-N 453.296 3.626 50 1 JHGF C#CCN(N=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5722206 GGYJNTBHBHANPL-QFIPXVFZSA-N 480.521 3.521 50 1 JHGF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@H](N)[C@@H]1O 253837910 YKMLLJFPFAASLT-KSLNPTRESA-N 455.470 3.735 50 1 JHGF Nc1c([C@@]2(CCl)c3ccsc3CCN2Cc2ccco2)c(O)nc(=O)n1Cc1ccccc1 962713000 RWCTXUZERSCHAG-XMMPIXPASA-N 482.993 3.775 50 1 JHGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CBr)(c2cc(F)cc(Br)c2)N1 962896287 LVHRZHPICGZXGC-RDJZCZTQSA-N 461.100 3.965 50 1 JHGF N#C/C(=C(\O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 101833988 RPDHUWLJRMPJDV-KNTRCKAVSA-N 465.362 3.981 50 1 JHGF CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C(=O)OCc1ccccc1)B(O)O 195212166 MHKWVAKGEAIJFL-DQEYMECFSA-N 476.382 3.562 50 1 JHGF CC1=C([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 963095546 COKQCUSDVVPOIU-FIGSJOGKSA-N 456.521 3.950 50 1 JHGF COc1cc2c3c(c1)O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)[C@@H](C2)C3=O 587427037 GAGUOHPZSZPQDT-FLFMHRTKSA-N 468.912 3.826 50 1 JHGF O=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)NNC(=O)c1ccccc1 299864064 LTNPJELUSRJEQO-UHFFFAOYSA-N 464.934 3.592 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O 587485072 JCENFQIWGQQOJY-HXUWFJFHSA-N 484.368 3.677 50 1 JHGF N#CCC(=O)NN/C(=C/[C@]1(C(F)(F)F)c2c(F)cccc2C[C@@H]2CCCN21)C(F)(F)F 963117296 YJLKOLMOJREDDF-FBDKYHIWSA-N 450.358 3.584 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl 199891366 KCWGODQZLSGRLG-QZTJIDSGSA-N 462.293 3.889 50 1 JHGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543300 KBPSNPLSGUSUDW-YYDVJCTNSA-N 479.286 3.931 50 1 JHGF COc1ccc(/C=C/C(=O)NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)cc1 1857629393 ABIUZPKVTIHYSL-LVMGUKCRSA-N 477.565 3.876 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 36311366 OUKDLWAAMCMZEI-IRJDGNCZSA-N 450.604 3.884 50 1 JHGF CO[C@]12C=C[C@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 100660496 OUKDLWAAMCMZEI-WAEMBYQOSA-N 450.604 3.884 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O 587485070 JCENFQIWGQQOJY-FQEVSTJZSA-N 484.368 3.677 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@@H](C3=O)[C@@]412 2356360232 AUOJMECYGGZYNA-HEAPTOQCSA-N 461.697 3.890 50 1 JHGF CC1=C(C=O)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 2356445970 UZJYJCDYFRLVKM-NJDJVZGISA-N 468.590 3.560 50 1 JHGF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 587057006 NABVCTPFPCDREM-UHFFFAOYSA-N 465.897 3.756 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@H]1CCCN1C(=O)C(F)(F)F 587544514 FENYGKMJYZWJFW-GUXCAODWSA-N 455.816 3.885 50 1 JHGF Cc1[nH]nc2c1[C@@](c1cc(N3CCCCS3(=O)=O)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772609671 ZPTGJIIHSGCBDK-OAQYLSRUSA-N 495.527 3.695 50 1 JHGF O=C(NNC(=O)C(F)(F)[C@H](O)c1ccncc1)N1Cc2ccccc2Oc2ccc(Cl)cc21 1536585 GTIRMYPHIMCURB-LJQANCHMSA-N 474.851 3.957 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2N1 587686422 VBEONEDYHWEYQD-HDZZMESHSA-N 456.787 3.772 50 1 JHGF CC1=C(CO[P@@](N)(=O)N(CCBr)CCBr)C(=O)c2ccccc2C1=O 26850532 SQVVKJQBBOHTRA-RUZDIDTESA-N 494.120 3.557 50 1 JHGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)CBr)[C@H]1c1ccc(F)cc1 587322638 NQSNANPVXPWTFX-WMZOPIPTSA-N 472.104 3.988 50 1 JHGF CO[C@@H]1C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@@H](C[C@@H]2Br)[C@@H](OC(C)=O)C1 2356801264 QOBNGEOAQDBNHW-GJEAMRJLSA-N 480.193 3.651 50 1 JHGF CCOP(=O)(OCC)[C@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(O)cc1 1857574289 AAJGPOYNRBINMQ-IBGZPJMESA-N 493.482 3.515 50 1 JHGF Cc1cccc(-n2cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)nn2)c1 962634909 MZDVPZXVFYCXMF-QRWLVFNGSA-N 466.847 3.556 50 1 JHGF NC1CN(C(=O)c2ccc(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)C1 1857751517 AUOGUIWDIMYIKV-UHFFFAOYSA-N 454.567 3.886 50 1 JHGF O=C(CBr)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538900 RYXNPSSEQLQIKT-REWPJTCUSA-N 468.303 3.760 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587673330 MBHSUOTYOIDLHA-XYZCENFISA-N 476.140 3.926 50 1 JHGF O=C(O)CNC(=O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857602507 ZVGPCPLUBLNTGC-UHFFFAOYSA-N 471.550 3.751 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CN1C(=O)c2ccccc2C1=O 587539196 UURZSWNVCHNRKO-DVECYGJZSA-N 494.297 3.784 50 1 JHGF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)/C(=C\c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963528397 SFSPJOCNAZAYIF-ULIGDGLUSA-N 476.916 3.573 50 1 JHGF Cc1nc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 73140439 HDMFYZVVDOHHDU-SFHVURJKSA-N 453.543 3.725 50 1 JHGF CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103214061 FAGWOTLXNMKDDC-WOOAAIBNSA-N 486.527 3.845 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138235 HVVHCMOTTZOPQX-ZMOMAAQPSA-N 488.006 3.833 50 1 JHGF COc1ccc2c(c1OC)[C@@](CCl)(Cn1nnc3ccccc31)N(C(=O)c1ccccc1N)CC2 963138564 JTHWIZAMDZMSFJ-AREMUKBSSA-N 491.979 3.864 50 1 JHGF COc1cc(-c2ccc(C(=O)NNC(=S)Nc3ccccc3)c(C)n2)cc(OC)c1OC 1857614385 JCPZIJAWKPTPKI-UHFFFAOYSA-N 452.536 3.714 50 1 JHGF CN(C)CCNC(=O)c1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 66112310 CBBZBWGICKFARD-UHFFFAOYSA-N 466.413 3.906 50 1 JHGF CCOP(=O)(OCC)[C@@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 1857564364 PVIOOFXSDUIFOE-LJQANCHMSA-N 495.473 3.949 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C 2356308258 GFHLPTYSQVDNKX-XLXVEECESA-N 478.925 3.805 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1cccc(Cl)c1O 72107748 RKMYYEHDLLVNHB-VTXMHGDESA-N 489.344 3.871 50 1 JHGF COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3cc4c(cc3N2)OCO4)c1 13779256 DQCYPSWFLGWNBO-WGFUJVFUSA-N 486.528 3.679 50 1 JHGF N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCC3)cc21 40835217 RAEYMJUJEXDUSW-UHFFFAOYSA-N 473.341 3.735 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCCC3)cc2)cc(OC)c1Br 68198207 YZLBUJSLQHVHLJ-JHXRPTDYSA-N 476.371 3.904 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1)B(O)O 195469214 SNSWZWXKTGMCIZ-IEXUWNMDSA-N 484.833 3.941 50 1 JHGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(N)=O 587329986 ZDJOVVMVVOIARM-UPVQGACJSA-N 456.901 3.928 50 1 JHGF C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN 587341233 YAHWVSJFGVDLQI-STUVRUMRSA-N 450.466 3.563 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1 587881284 SIXLUFBGCCWDTP-UHFFFAOYSA-N 454.697 3.789 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2ccc(F)cc2)c2ncccc2c1 1772646378 CSFRIZALCDCTLN-OAHLLOKOSA-N 454.506 3.999 50 1 JHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587009756 QVDZTEUGUYIGJL-KRWDZBQOSA-N 484.887 3.977 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609402 VJBJDKMITCJPAT-SIKLNZKXSA-N 493.990 3.641 50 1 JHGF CSc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618007642 DBOSMJLRWWORRU-HNNXBMFYSA-N 476.133 3.973 50 1 JHGF Cc1cc(NS(=O)(=O)c2ccc(C(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)cc2)no1 473134386 BSBXQIZAPMLUEL-ZVBGSRNCSA-N 469.306 3.560 50 1 JHGF CCN1Cc2cccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4ccccc4[nH]3)c2C1=O 1857754541 SERABSVELSOHHG-IBGZPJMESA-N 466.973 3.596 50 1 JHGF Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 72123573 JTPLEUUEJMMMAK-JOCHJYFZSA-N 466.497 3.704 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539913 YNDHGRRJFRNGRM-OEOAZWSVSA-N 497.297 3.755 50 1 JHGF CC(=O)N1CCc2c(F)cc(C(=O)CCl)cc2[C@]1([C@@H](N)Cc1ccccc1)C(F)(F)F 962776032 ZVJUQZRNFICQSL-SFTDATJTSA-N 456.867 3.979 50 1 JHGF CCOC(=O)[C@]1(CBr)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963841147 IJRSBXSWURWIPQ-VFNWGFHPSA-N 470.360 3.785 50 1 JHGF CCCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O 142516740 OLRHPYWWMBUPGI-RWPZCVJISA-N 462.516 3.631 50 1 JHGF CC1(C)[C@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356439975 JEVYNKSHGQMDPV-NRSSNHDFSA-N 461.747 3.706 50 1 JHGF COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 64560112 BNRNBKNJBXCDOI-JOCHJYFZSA-N 481.420 3.899 50 1 JHGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ncccc2c1 95590665 DNDRADQJEOMFPB-ODCIPOBUSA-N 465.101 3.935 50 1 JHGF O=C(NC[C@H]1CN(c2ccc(NS(=O)(=O)CCCCl)cc2)C(=O)O1)c1ccc(Cl)s1 113066372 KGQZMGDQAHIPQC-AWEZNQCLSA-N 492.406 3.527 50 1 JHGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O)O[C@@H]1O 2356860313 UDWHXJRDDKZCNF-IWBZSMCQSA-N 474.425 3.731 50 1 JHGF COc1cc2c(cc1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCBr)C2=O 35079959 KEJJCINVWHYGSV-UHFFFAOYSA-N 473.279 3.923 50 1 JHGF O=C(NNC(=O)C(F)(F)[C@@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 1534909 YVINUMWCWLPWOX-IBGZPJMESA-N 474.851 3.957 50 1 JHGF CC[C@@H]1[C@H](Br)C[C@H](Br)[C@]2(O)O[C@@H]3C[C@H](C=C=CBr)O[C@H]3[C@@H]12 2356618933 OUMZHLOKCPXJMJ-QFUSYUKQSA-N 487.026 3.868 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587839739 ICAWJAPOAWQVPY-BBATYDOGSA-N 495.867 3.758 50 1 JHGF CO[C@H]1C[C@H](Cl)[C@@H]2C[C@H](C=C=CBr)O[C@H](C)[C@@H](O)[C@H](C[C@H]1Br)O2 238740627 BWMXTENBOUZINM-YXZTVWNDSA-N 474.617 3.522 50 1 JHGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)nn2)c1 962634904 MZDVPZXVFYCXMF-FOIQADDNSA-N 466.847 3.556 50 1 JHGF CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607545 NBIVODVHEAVFOH-DENIHFKCSA-N 459.907 3.860 50 1 JHGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2F)N1 962630269 HZYLOBUOOKKSEZ-DIFFPNOSSA-N 493.207 3.870 50 1 JHGF O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103282418 MSUZTFPOEONGOK-KGLIPLIRSA-N 453.311 3.518 50 1 JHGF COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccc(Cl)cc3)cn(C3CC3)c12 64559303 UZOIZSFFUPJYSH-UHFFFAOYSA-N 478.908 3.908 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1 199891121 HTLSKHWPRPPXGD-QZTJIDSGSA-N 462.293 3.889 50 1 JHGF CCOc1ccc2c(c1)SC1=NC(C)=C(C(=O)NNC(=O)c3ccncc3)[C@H](c3ccccn3)N12 1857534247 ZVHFXPTYCOEEDE-QFIPXVFZSA-N 486.557 3.634 50 1 JHGF CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607549 NBIVODVHEAVFOH-SIKLNZKXSA-N 459.907 3.860 50 1 JHGF CN(C)CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 1772595790 XEJJZYVTIYOJEQ-SRZZPIQSSA-N 485.176 3.622 50 1 JHGF C[C@H](NC(=O)C(=O)N/N=C1\C[C@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 13779253 HNQDHHXMKWWUJH-JOLNOINZSA-N 474.492 3.809 50 1 JHGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962983740 ZHAZAQJTSXNTKG-IERDGZPVSA-N 475.319 3.681 50 1 JHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2CO)cc(Br)c1OC 36412280 BNVXPQZDGJVZBC-SFHVURJKSA-N 456.296 3.589 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587682249 KQNAHYFGUZFLQV-HOGDKLEQSA-N 482.147 3.890 50 1 JHGF NS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1 1772580634 UGEYCAWQKPWDOT-UHFFFAOYSA-N 458.411 3.579 50 1 JHGF C[C@@H]1[C@@H](OC(=O)N[C@H]2C[C@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101851210 JAJGWMGTSWYVBH-KLBIXDHOSA-N 457.523 3.656 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587841926 SMYQXPJUAUESED-BBATYDOGSA-N 461.784 3.976 50 1 JHGF O=C1COc2cc([C@@]3(CCl)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c(Cl)cc2N1 962761995 IQDXNGPLHQJMTK-KXBFYZLASA-N 459.251 3.799 50 1 JHGF Cc1cc2c(cc1O)[C@@](CBr)(c1c(F)ccc(F)c1Br)N[C@H](C(=O)O)C2 963467745 HDYZVMRTDARDLX-UGSOOPFHSA-N 491.126 3.979 50 1 JHGF O=C1/C(=N/CCC2C[C@H](Br)C(O)[C@@H](Br)C2)C(Cl)=C(O)c2cccnc21 26576606 CUGPZFHZFZVIKF-KPFFJPBTSA-N 492.595 3.872 50 1 JHGF C[C@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](N)[C@@H]1O 169349052 YKMLLJFPFAASLT-DLKZWTJWSA-N 455.470 3.735 50 1 JHGF O=C1COc2cc([C@@]3(CCl)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c(Cl)cc2N1 962761990 IQDXNGPLHQJMTK-BEFAXECRSA-N 459.251 3.799 50 1 JHGF CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Br)C1 587546680 XFJPNLRLRRTRIX-FVJLSDCUSA-N 462.296 3.718 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(c2ccccc2)N1 587674192 UKEFPPSGYLJYHJ-BUXKBTBVSA-N 470.180 3.877 50 1 JHGF C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)/C(C#N)=C/c1cc(OC)ccc1OC)=CCC[C@@]1(C)O[C@@H]21 1857557675 SHMXGRDUBUBIQF-DXPOCFNCSA-N 479.529 3.910 50 1 JHGF O=C(NN/C=C1\C(=O)N2C=CC=CC2=NC1=Nc1cccc(C(F)(F)F)c1)c1ccccc1 263592191 WHNKOKGCVZFDJB-YEHASYTMSA-N 451.408 3.878 50 3 JHGF CC1(C)O[C@@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@H]5c3ccoc3)OO2)C[C@@H]1[C@]1(C)C=CC(=O)O1 238735204 KQCXXFDXAPESMC-LWSRYEASSA-N 454.475 3.688 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCCCC3)nc2)cc(OC)c1Br 84725273 CQEVELXTQXXMML-RNRKLAHPSA-N 491.386 3.689 50 1 JHGF COc1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248313 VVIKBSXJECDREF-WPWMEQJKSA-N 451.958 3.559 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CBr)(CN1C(=O)c3ccccc3C1=O)CC2=O 587456250 LMPUMIBUATYUCN-JOCHJYFZSA-N 458.308 3.740 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccsc2CCN3Cc2ccco2)[C@H]1c1ccncc1 962702599 FJYYFLQTUQSEFJ-NVQXNPDNSA-N 486.553 3.616 50 1 JHGF CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](Cl)[C@@H]2SC1 27096977 YFFNJWCMUGIYOE-AVRDEDQJSA-N 457.935 3.659 50 1 JHGF C/C1=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O[C@@H]([C@H](C)/C=C(\C)C=O)C1 169373614 XKGDMUIDORFBTK-BKPDPVKCSA-N 489.609 3.834 50 1 JHGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c1C)[C@@H](C2)C3=O 587450163 RSWPOXXZKKJCJY-GBXCKJPGSA-N 486.977 3.632 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138232 HVVHCMOTTZOPQX-PXIJXODZSA-N 488.006 3.833 50 1 JHGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)c(OC)c1OC 1772578586 YKWXKPNFZCAJGM-LJQANCHMSA-N 455.474 3.609 50 1 JHGF Cc1ccnc2c1CCNC2(C(Br)Br)C(Br)Br 963073046 PBTLYCNUJXJWDL-UHFFFAOYSA-N 491.847 3.963 50 1 JHGF C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@H]1C(C)=CC=O 2356377484 AGFFLAGKMOJHPV-KAPZOZIZSA-N 490.549 3.532 50 1 JHGF CC1(C)[C@@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356439973 JEVYNKSHGQMDPV-MGFDPJTISA-N 461.747 3.706 50 1 JHGF CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 653727899 IFLZDTXKMLHTAT-VYIQYICTSA-N 462.937 3.919 50 1 JHGF Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2cccc3ccccc23)cc1 13677348 JXIGIYONGSQKLR-UHFFFAOYSA-N 498.564 3.816 50 1 JHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3cccc(Cl)c3)cc2)o1 1911577138 GMXSABPXXOUCII-UHFFFAOYSA-N 484.921 3.689 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 195508845 OUKDLWAAMCMZEI-AVEDVRIZSA-N 450.604 3.884 50 1 JHGF Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-] 653689428 MEWMDKQOKDBFDU-MUUNZHRXSA-N 492.539 3.630 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101871365 PZDLECDNKNNTEH-KVOAJSAESA-N 464.580 3.801 50 1 JHGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)[C@@H](C2)C3=O 587418775 AWTGUKDYAHHLJE-RXFWQSSRSA-N 463.917 3.947 50 1 JHGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](O)C[C@@H]1C(=O)c1c(O)cc(O)cc1C2=O 2356789917 DWJVGNLWBNHYRR-WOLSZZLASA-N 480.985 3.576 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587678328 CGLSVPQRBHZEON-ZRNGKTOUSA-N 482.147 3.890 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587841927 SMYQXPJUAUESED-VOJFVSQTSA-N 461.784 3.976 50 1 JHGF COc1cc2c(cc1OC)[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)N(C)[C@@H](C)C2 962568819 LIPZYPQGIVRFNL-NVMYHKGLSA-N 455.393 3.790 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccsc2CCN3Cc2ccco2)[C@@H]1c1ccncc1 962702597 FJYYFLQTUQSEFJ-GJZUVCINSA-N 486.553 3.616 50 1 JHGF COc1cc(OC)nc([C@@H](O[Si](C)(C)C)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 211432108 PLLVOOYDKZYTLM-HNNXBMFYSA-N 465.526 3.696 50 1 JHGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(Cl)nn2)N1 962707769 YFOIFACYOHMKBY-IAQYHMDHSA-N 468.632 3.525 50 1 JHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2cccc(F)c2[N+](=O)[O-])N1 963223717 HCUHKPVDRWPWKK-XLIONFOSSA-N 460.259 3.520 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308362 KCNMCSAJYAMLMX-WAWSZWIOSA-N 458.599 3.928 50 1 JHGF CCOP(=O)(OCC)[C@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1cccs1 1857554114 HQOBEVHNWCNXJO-KRWDZBQOSA-N 483.512 3.871 50 1 JHGF NNC(=O)[C@]1(NC(=O)c2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 6003605 XGTAMSXGRUCMLO-SVEHJYQDSA-N 475.552 3.811 50 1 JHGF C[C@H](Br)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587008122 HRWVYULHLSLITF-JTQLQIEISA-N 467.306 3.942 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cc(Cl)ccc12 1857561431 BSVXAXDZBUCLAU-HXUWFJFHSA-N 476.949 3.888 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841937 SOASEDWBQSVXBT-RNODOKPDSA-N 489.838 3.697 50 1 JHGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2F)N1 962630274 HZYLOBUOOKKSEZ-PIGZYNQJSA-N 493.207 3.870 50 1 JHGF CS(=O)(=O)c1cc([C@@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962764989 LSOQJQXUELZKNH-CRAIPNDOSA-N 494.304 3.513 50 1 JHGF Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587009035 SQYXWDUACVGIMC-LBPRGKRZSA-N 490.383 3.617 50 1 JHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587852318 FKJLDZGZEXBDAZ-MGNBDDOMSA-N 460.800 3.876 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963138092 HSFFOLYQTPWMKZ-KKSFZXQISA-N 465.959 3.830 50 1 JHGF COc1cccc2c1[C@@]1(N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)C(C=O)=CO2 963177553 OBUJFBXZTPAMGR-RNODOKPDSA-N 453.800 3.685 50 1 JHGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1cccc(Br)c1 103210769 QXYMZZVBASVSPQ-QGZVFWFLSA-N 487.745 3.552 50 1 JHGF CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 587323732 SRSLQMSBCOJOCU-IRLDBZIGSA-N 486.297 3.929 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(c2ccccc2)N1 587674193 UKEFPPSGYLJYHJ-CWTRNNRKSA-N 470.180 3.877 50 1 JHGF O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)NNC(=O)c1ccccc1O 26099112 AOYKSEHJKBKOKX-UHFFFAOYSA-N 465.579 3.633 50 1 JHGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1cccc(Br)c1 103210771 QXYMZZVBASVSPQ-KRWDZBQOSA-N 487.745 3.552 50 1 JHGF NC(=O)COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326753 MZVUOXBYTPQQNU-ISKFKSNPSA-N 455.869 3.889 50 1 JHGF Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587542093 FQGAABOUTHRNBP-YKSBVNFPSA-N 450.878 3.679 50 1 JHGF Cc1c(O)ccc2c1[C@](CBr)(c1c(F)ccc(F)c1Br)N[C@H](C(=O)O)C2 963472133 PAGHRGVWOYZMOD-KPZWWZAWSA-N 491.126 3.979 50 1 JHGF COC[C@@H]1O[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC 95549926 OZEWPNYDUHPUBQ-WKAQUBQDSA-N 451.523 3.772 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CS(=O)(=O)c1ccccc1 587611176 ZLZIZKIIMQYWJC-UGKGYDQZSA-N 489.343 3.961 50 1 JHGF Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 100954771 QLOZVFOLCJIVGA-HDICACEKSA-N 485.631 3.756 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NCCCCl)cc1 587897354 YZEXLHONWJOPAG-UHFFFAOYSA-N 473.809 3.611 50 1 JHGF CCN1Cc2cccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4ccccc4n3C)c2C1=O 1857756297 OVKSTCIYVSUIHI-IBGZPJMESA-N 481.000 3.606 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@@H](OC(=O)C(C)=CC)[C@H]1O 2356457996 DGJSOBCOIVBILD-ZMKHKPBZSA-N 485.017 3.605 50 1 JHGF CN1CCN(Cc2csc(-c3ccc4c(c3)c(C(=O)N/N=C/c3ccc(F)cc3)cn4C)n2)CC1 1911579327 SNBFDOWXGDTBRT-CCVNUDIWSA-N 490.608 3.952 50 1 JHGF C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]1C(C)=CC=O 2356377485 AGFFLAGKMOJHPV-PKSHOOMXSA-N 490.549 3.532 50 1 JHGF CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CO)O1 2356695592 NJNWEGFJCGYWQT-GCFPHFQSSA-N 487.395 3.883 50 1 JHGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(O)c3)ccc21 1857754425 GKNNSIBJYVCFEP-MHZLTWQESA-N 477.536 3.722 50 1 JHGF O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103282409 MSUZTFPOEONGOK-ZIAGYGMSSA-N 453.311 3.518 50 1 JHGF Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 653834513 ANEKFYCMGSQWRF-UHFFFAOYSA-N 456.502 3.948 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cccc(Cl)c12 1857573451 MVMMBUCGYQUHRU-FQEVSTJZSA-N 476.949 3.888 50 1 JHGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 95808703 GHUSDHXLVDAAQS-VXLYETTFSA-N 464.154 3.881 50 1 JHGF COc1ccc([C@@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(OC)c1 962640102 NMWYCAIAEWMHRM-BJKOFHAPSA-N 485.378 3.989 50 1 JHGF C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O 149811177 WWVWTNLGJXLNDT-IPPBACCNSA-N 478.490 3.547 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O 587487102 MTDZADJEVLEUNO-OAQYLSRUSA-N 482.396 3.851 50 1 JHGF COc1ccc(C(=O)NNC(=O)/C=C/c2c(-c3ccccc3)n(C)c3ncccc23)cc1OC 1911577264 SLHSRXZYJSNSRE-WYMLVPIESA-N 456.502 3.732 50 1 JHGF O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26160384 SKIPWTBNIZVKIC-GBTCMZCFSA-N 456.326 3.535 50 1 JHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(NC(=O)[C@H](C)Cl)c2c1 587617282 CTTPGXGZSAONRQ-JTQLQIEISA-N 466.903 3.760 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCCO)[C@]42CC3=O 2356767564 DQNNONYJPZBYNN-MAWUIOKTSA-N 495.755 3.866 50 1 JHGF NNC(=O)[C@]1(NC(=O)c2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 6003603 XGTAMSXGRUCMLO-IRPSRAIASA-N 475.552 3.811 50 1 JHGF COc1ccccc1N1CCN(C(=O)CN(/N=C/c2ccccc2Cl)C(=O)c2ccncc2)CC1 28344904 GPKZAVPWDAYAJI-RDRPBHBLSA-N 491.979 3.569 50 1 JHGF COc1cccc(-c2nc(SC)nc3sc(C(=O)NNC(=O)OC(C)(C)C)c(N)c23)c1 40566944 UZMOAPIYTTWUSW-UHFFFAOYSA-N 461.569 3.841 50 1 JHGF O=C(CSc1nnnn1-c1ccccc1)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 103241817 NFQBLUTUTZYHPZ-WNAAXNPUSA-N 485.598 3.906 50 1 JHGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc(Br)c1O 299871158 XXUXBLAPIWSZSO-WYMPLXKRSA-N 469.295 3.575 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587678326 CGLSVPQRBHZEON-UGZDLDLSSA-N 482.147 3.890 50 1 JHGF O=C(N/N=C/c1ccc(Cl)cc1)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 84710945 NMMYJWXEPIQNME-GDQCRLHRSA-N 462.897 3.596 50 1 JHGF COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1/C=N/NC(=O)c1ccncc1 1857533578 SHTMCYHHLNIQBE-BLJICXDHSA-N 495.576 3.533 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(c2ccccc2)N1 587671928 BLGUBAYDGWOFHM-CWTRNNRKSA-N 470.180 3.877 50 1 JHGF C[C@H]1CCCCN1C(=O)N(Cc1ccc(C(=N)NO)cc1)NS(=O)(=O)c1ccc2ccccc2c1 29336352 BAHWCCUGNLIIBV-SFHVURJKSA-N 495.605 3.834 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2cnc3ccccc3c2)cc(OC)c1Br 84725280 PJGNBOMULNQAOJ-JVMMHGLMSA-N 458.312 3.852 50 1 JHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587009475 HHXNWMCHEINMBR-QFIPXVFZSA-N 451.958 3.515 50 1 JHGF C/C(=N\NC(=O)c1sc(C(=O)N/N=C(\C)c2cccs2)c2c1OCCO2)c1cccs1 45246034 ZWSFQBDDUCIKOU-XHQRYOPUSA-N 474.589 3.950 50 1 JHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)[C@]1(C)CS(=O)(=O)ON 962942552 FTUKENZNDUZHAN-VCYTUNCNSA-N 496.471 3.707 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587539214 UWHYKVXHUNRRMC-UWJYYQICSA-N 474.263 3.809 50 1 JHGF O=C1/C(=N/CCC2C[C@@H](Br)C(O)[C@H](Br)C2)C(Cl)=C(O)c2cccnc21 26576608 CUGPZFHZFZVIKF-XDUGBHMQSA-N 492.595 3.872 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587839910 JFHDOKDKTUBWSD-FKIZINRSSA-N 487.822 3.927 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587840476 LKWWOAJTVCKCSR-VOJFVSQTSA-N 461.784 3.976 50 1 JHGF CN1CCc2c(Br)cccc2[C@]1(CCl)c1ccc(CCNS(C)(=O)=O)cc1 963288868 GPACRBUEKSDWQQ-FQEVSTJZSA-N 471.848 3.511 50 1 JHGF O=S(=O)(c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1)N1CCNCC1 1772640710 UOXKSZJKMGIPJF-UHFFFAOYSA-N 488.650 3.765 50 1 JHGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc3c(c1)OCO3)NCC21CCOCC1 963188715 KWTLIABAIWFAMK-QHCPKHFHSA-N 476.367 3.722 50 1 JHGF Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/[c-]2cc(Cl)cc([N+](=O)[O-])c2=O)c1 169688385 PCKVHFRFPBIKSE-WYMPLXKRSA-N 451.846 3.652 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587672644 GUKFQMJWYPGCFX-NIVTXAMTSA-N 472.152 3.565 50 1 JHGF C=CCc1ccccc1OC[C@@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 8586488 RTYBGDQNUBLFSW-JXALWOEJSA-N 481.475 3.983 50 1 JHGF C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)c2cc3ccc(=O)oc3cc2OC1(C)C 15043582 GFHLPTYSQVDNKX-HBTBGPTKSA-N 478.925 3.805 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)CC2=O 587496354 WKCOYGFYRQQLAN-QHCPKHFHSA-N 463.983 3.907 50 1 JHGF CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O 618017554 NKKCGIPZRVCUDK-UHFFFAOYSA-N 483.606 3.517 50 1 JHGF CCC(CC)C(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618012516 KRJYUDZJXJSVES-SFHVURJKSA-N 482.716 3.545 50 1 JHGF CCC[C@H](C[C@@H](O)C(Br)Br)OC(=O)C(Br)Br 2356802718 SPQANOSXHQDVEP-PHDIDXHHSA-N 489.824 3.681 50 1 JHGF CN(N=O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5722204 UECJVBXQPAZMKG-FQEVSTJZSA-N 456.499 3.518 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]21C 253665665 QCTMFPZPZPCXRZ-OGGIIVJNSA-N 452.975 3.921 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)CBr)N1 587673956 RXEMKAYWPXMFDS-WPPNPWJKSA-N 457.963 3.677 50 1 JHGF COC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 72180051 AYHGVKILAOLGHV-NGVSTBRYSA-N 454.947 3.750 50 1 JHGF Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)no1 473135499 ITGUKIVZWSRLFE-OWBHPGMISA-N 457.899 3.895 50 1 JHGF COc1ccc(O)c(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc(OC)cc4OC)o3)cc2)c1 473249071 SPMOQCZAVSYYJC-VULFUBBASA-N 474.473 3.899 50 1 JHGF NC(=O)c1csc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c1 963417884 QXKBWQBAPHZLNR-UQBPGWFLSA-N 493.972 3.962 50 1 JHGF CCOC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C(=O)OC(C)(C)C 1857772548 VYVKWICQZFACAS-FQEVSTJZSA-N 451.401 3.874 50 1 JHGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 103019284 SUQGDEQDNJUIEA-XFSFLGPDSA-N 451.504 3.704 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Br)C1 587682090 MLDXWBRWTGMVJJ-GDKCJGSASA-N 464.173 3.943 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 618008002 PXNCHWLASMVDTI-UHFFFAOYSA-N 463.591 3.617 50 1 JHGF Nc1c([C@]2(CCl)c3ccsc3CCN2Cc2ccco2)c(O)nc(=O)n1Cc1ccccc1 962712999 RWCTXUZERSCHAG-DEOSSOPVSA-N 482.993 3.775 50 1 JHGF CC1(C)OC2=C(C[C@@H]1I)C(=O)/C(=N\NC(=O)c1ccncc1)c1ccccc12 1857613473 AFVJCGGYEIXLPA-JRATXJKFSA-N 487.297 3.512 50 1 JHGF COC1=CC(=CNNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C=C(OC)C1=O 13120166 XSTXUOMGIIJPRN-UHFFFAOYSA-N 481.508 3.762 50 3 JHGF CS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533251 RWTFSNOXCPKGSK-FQEVSTJZSA-N 450.354 3.620 50 1 JHGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@H](O)[C@H](O)C5(C)C 2356555521 YHDIJLPLKAVAQV-BPQUVTTQSA-N 457.014 3.919 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(C)cc1O 72109219 NYHZTTCRPCXIIO-RRRUWBTGSA-N 468.926 3.526 50 1 JHGF COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 72122946 OLBMOZNPDAOQDT-JOCHJYFZSA-N 460.534 3.531 50 1 JHGF CC/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(Br)cc12 1857557284 KOSMNXAMORWXHX-XLNRJJMWSA-N 463.357 3.732 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@H](O)[C@@H]1OC(=O)C(C)=CC 2356694859 LGDYOAVRXJYRRK-TWLPEACMSA-N 485.017 3.605 50 1 JHGF CC[C@@]1([C@@H](Cl)C(=O)OC)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963470888 MFAMQGBKKFCBCB-AXHZCLLHSA-N 454.910 3.705 50 1 JHGF CC(C)CN(NC(=O)c1cccc(-c2ccncc2)c1)c1nc(C#N)ncc1Br 58575684 JGPIHIGBRPSKCB-UHFFFAOYSA-N 451.328 3.980 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4)c[nH]c3c12 103210043 LNTWFSQEEIZRTJ-ICSRJNTNSA-N 467.312 3.874 50 1 JHGF Cc1cc(OCC(=O)NN)c(C(C)C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878237 SOSIVRSWYSDFSW-UHFFFAOYSA-N 462.377 3.504 50 1 JHGF O=C(Nc1ccccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12)c1ccc(B(O)O)cc1 1772594134 KCXUQFBAPZUDMU-UHFFFAOYSA-N 472.313 3.967 50 1 JHGF O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1cc2c(cc1Cl)OCO2 1857608959 ISOLAHGCFHOWMC-IPBVOBEMSA-N 483.883 3.667 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1O 72109841 XWMAZVGWOIQOGT-OZMIJRPQSA-N 489.344 3.871 50 1 JHGF COc1ccc(/C=C/C(=O)NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)cc1 1857629392 ABIUZPKVTIHYSL-HGZMWJMZSA-N 477.565 3.876 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)nc2)N1 587849772 NQMQGKPBCNYQMT-DYZYQPBXSA-N 492.208 3.559 50 1 JHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(N1)c1ccccc1OC[C@@H]2Br 962641640 YAWAPKWCAJEBSP-ZVZYQTTQSA-N 458.230 3.584 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cccc(Cl)c12 1857573452 MVMMBUCGYQUHRU-HXUWFJFHSA-N 476.949 3.888 50 1 JHGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211561 GOVGUBPSAUTQQK-TZIWHRDSSA-N 497.338 3.882 50 1 JHGF CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607550 NBIVODVHEAVFOH-UGKGYDQZSA-N 459.907 3.860 50 1 JHGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCl)C(=O)CCl 43620450 SBDOUSXMESRNJK-INZHXJBESA-N 487.395 3.932 50 1 JHGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 253637822 YNNURTVKPVJVEI-LIASLNQGSA-N 455.378 3.736 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841128 PVJLVQMAFNXQQW-RBZFPXEDSA-N 489.838 3.697 50 1 JHGF O=C(N/N=C/c1ccc(O)c(O)c1)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299836616 NVSAOAQSANOWRR-AFUMVMLFSA-N 490.545 3.762 50 1 JHGF COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC 195468295 OZEWPNYDUHPUBQ-RAVGUYNFSA-N 451.523 3.772 50 1 JHGF O=C(CBr)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538892 RYXNPSSEQLQIKT-NFBKMPQASA-N 468.303 3.760 50 1 JHGF Cc1cc2c(cc1O)[C@](CBr)(c1c(F)ccc(F)c1Br)N[C@H](C(=O)O)C2 963467744 HDYZVMRTDARDLX-SCLBCKFNSA-N 491.126 3.979 50 1 JHGF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CCCCBr)C3=O)cc1 95601170 LFAJGHQKPZRZOW-UHFFFAOYSA-N 451.342 3.567 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(C=O)=C[C@@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C 2356712063 OBNLKIYUNMSGTC-HGPFNMBBSA-N 498.616 3.746 50 1 JHGF Cc1onc(-c2ccccc2)c1C(=O)NNC=C1C=C(Br)C(=O)C(Br)=C1 15885154 VIHGSHGJYCUHMX-UHFFFAOYSA-N 479.128 3.909 50 3 JHGF CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Br)C1 587677496 ASOLXGIVTXWYGT-UDTVLSCZSA-N 464.173 3.943 50 1 JHGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2ccncc2Cl)N1 962979490 SLSCWGIJEVBANE-LRDDRELGSA-N 452.082 3.904 50 1 JHGF N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCS1 45245775 CRHSKFMHHSVIQD-NTFDOXNWSA-N 459.552 3.965 50 1 JHGF C[C@](O)(CS(=O)(=O)c1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970272 CEFRVXZOLNMWKD-KRWDZBQOSA-N 489.453 3.511 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587840716 MRHOWODOQUENEX-BBATYDOGSA-N 495.867 3.758 50 1 JHGF O=C(NNC1=C[C@]2(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c2ccccc21)c1ccccc1 962640339 OLNDFRRVXCAIME-DFBJGRDBSA-N 495.457 3.717 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](Br)[C@H](O)C#CC=CBr 2356388254 YBWFHQWNVOJUCX-QZTJIDSGSA-N 458.190 3.933 50 1 JHGF O=C(C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 49802253 QUGWQEXOEGIEED-LMFJKZNVSA-N 492.616 3.972 50 1 JHGF C[C@@H]1[C@@H](OC(=O)N[C@H]2C[C@@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101851197 JAJGWMGTSWYVBH-JDILANRMSA-N 457.523 3.656 50 1 JHGF CCCc1c(O)ccc2c1OC(c1ccc3c(c1)C(=O)OC3=O)(c1ccc3c(c1)C(=O)OC3=O)CC2=O 587479526 ILVMXFPJCMHVMF-UHFFFAOYSA-N 498.443 3.875 50 1 JHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616342 CAUGWKVTVNXBSW-AVRDEDQJSA-N 458.923 3.759 50 1 JHGF CCCCOc1cc(B(O)O)cc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961781375 XKGMXAKTHVCXNK-VWLOTQADSA-N 480.414 3.786 50 1 JHGF CCC(=O)O[C@]1(C(=O)CC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 58614340 DRASCZVGXPOSFJ-NDUHUWATSA-N 495.012 3.690 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 587408306 FPSJGHIZEWTALB-NRFANRHFSA-N 479.396 3.617 50 1 JHGF Cc1ccnc(NCCCCC(=O)NNC(=O)N[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13472613 VNWMBEFZMNRHEI-QGZVFWFLSA-N 482.368 3.825 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccc(F)cc2C[C@H]2CCCN23)[C@@H]1c1cccs1 963114580 UVDTYUCDWCNABU-RQYMNKHTSA-N 463.534 3.729 50 1 JHGF Cc1nc(C)c([C@@]2(CBr)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963134070 CQMAATATFMLCHW-SGTLLEGYSA-N 472.361 3.633 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccccc4)c[nH]c3c12 103210045 LNTWFSQEEIZRTJ-UYAOXDASSA-N 467.312 3.874 50 1 JHGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1nc[nH]n1 963174147 AXHKZEVASDSJRI-KUHUBIRLSA-N 488.297 3.966 50 1 JHGF CN(C)C(=O)c1cc2c[nH]c(=NNC(=O)CCCCCCCN=C=S)nc2n1C1CCCC1 1857579567 OXDJHETWPGFQKY-UHFFFAOYSA-N 471.631 3.557 50 1 JHGF NNC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 586984591 SZODHNWRYLKZEH-UHFFFAOYSA-N 450.296 3.848 50 1 JHGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(N)cc3)ccc21 1857641775 FPYQKZTXJZNSIB-HHHXNRCGSA-N 476.552 3.598 50 1 JHGF C=C(C=O)CC[C@@H]1C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]1C(C)=CC=O 2356377486 AGFFLAGKMOJHPV-UWNMQHKVSA-N 490.549 3.532 50 1 JHGF CCOP(=O)(OCC)/C(C#N)=C(\O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(C)=O 53070814 BRSOUEBWLIWNPM-XUOLYXIISA-N 479.514 3.824 50 1 JHGF Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccc(Br)cc1 72116362 VPEBTUBWCRSORE-QGMBQPNBSA-N 484.177 3.812 50 1 JHGF CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(c(O)c4C(=O)N[C@H]3[C@@H]2O1)OCO5 195363017 IIZKALCGNREVSF-NBPAUJCUSA-N 461.587 3.540 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2N1 587545914 SVPVWVQQDPMZCR-CTUHWIOQSA-N 454.910 3.547 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[C@@H]3ON3C(=O)c3ccccc3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158706 UCSLYNSOKNQJFW-XPVRLRBQSA-N 475.538 3.720 50 1 JHGF COc1cc2c(c(OC)c1OC)N[C@@H](C(=O)N1C[C@@H](CCl)c3c1cc(O)c1ncccc31)C2 55652228 PGHAETMEBBAZNN-UKRRQHHQSA-N 469.925 3.672 50 1 JHGF N#CCC(=O)NN/C(=C\[C@]1(C(F)(F)F)c2c(F)cccc2C[C@H]2CCCN21)C(F)(F)F 963117306 YJLKOLMOJREDDF-HLRZKSFWSA-N 450.358 3.584 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@@H](O)[C@@H]1OC(=O)C(C)=CC 2356694857 LGDYOAVRXJYRRK-GHOFJMRBSA-N 485.017 3.605 50 1 JHGF [C-]#[N+][C@@H]1C[C@H](C(=O)N2CC(C)(C)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 261110850 IAZUWFIILWAGON-NIKGAXFTSA-N 454.962 3.876 50 1 JHGF CC1(C)[C@@H](Br)C[C@@H](O)[C@@]1(C)[C@]1(O)CC[C@@]2(C)[C@H](Br)CC[C@](C)(O)[C@]2(O)C1 238767841 DNRSHPZOBKEHNQ-NXIGPSMHSA-N 498.296 3.508 50 1 JHGF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)N/N=C/c1ccc(Cl)cc1 653875517 GDULKQNKHCMYBA-JFLMPSFJSA-N 477.977 3.930 50 1 JHGF COc1cc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(Br)cc1O 95809777 JHSUHOPWZRSWGZ-YDZHTSKRSA-N 478.343 3.908 50 1 JHGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606892 JEDDJJPPQLSVLQ-NZQKXSOJSA-N 467.524 3.867 50 1 JHGF C=CCc1ccccc1OC[C@@H](O)CNC(C)(C)C1CCC(C)(NC(=O)CBr)CC1 29413177 GXGOSIPJZRPYAZ-VIHQBZHPSA-N 481.475 3.983 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1 199891060 HTLSKHWPRPPXGD-ZWKOTPCHSA-N 462.293 3.889 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 587408314 FPSJGHIZEWTALB-OAQYLSRUSA-N 479.396 3.617 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587673798 QBZVLVPRUHAVCV-VVVCHXIZSA-N 476.140 3.926 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2cccc(O)c2)c2ncccc2c1 1772611021 BYACXROQRDESQJ-HNNXBMFYSA-N 452.515 3.566 50 1 JHGF N#CC(=C(O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)c1nc2ccccc2[nH]1 1857609861 RPDHUWLJRMPJDV-UHFFFAOYSA-N 465.362 3.981 50 1 JHGF CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@@]21C 2356745387 VZKVPNVMKJHQHX-QBCFPHRZSA-N 488.577 3.689 50 1 JHGF CC(C)CN(NC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1)c1nc(C#N)ncc1Cl 58581837 AASQTOADJXPNNV-UHFFFAOYSA-N 454.943 3.867 50 1 JHGF O=C(CCl)Nc1ccc2c(c1NC(=O)Cc1ccc(F)cc1)C(=O)c1ccccc1C2=O 73197267 YTLOBUYZPQQKKA-UHFFFAOYSA-N 450.853 3.960 50 1 JHGF [C-]#[N+][C@H]1C[C@@H](C(=O)N2CC(C)(C)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 261110848 IAZUWFIILWAGON-JVPBZIDWSA-N 454.962 3.876 50 1 JHGF Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618008164 SYAGSHSYCBDBKZ-UHFFFAOYSA-N 476.668 3.561 50 1 JHGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 963557530 XPKMJKUCHMASAS-VKUOHJHSSA-N 490.943 3.702 50 1 JHGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccc(F)cc1 1857630000 QLRHFKMRLJFEEE-WGOQTCKBSA-N 465.506 3.797 50 1 JHGF O=C(NCCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2I)cc1 1857765375 ZIPZIDMCPROUIU-UHFFFAOYSA-N 494.738 3.809 50 1 JHGF COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)SC 98082141 ACNFXKHWFHSHOV-WUKNDPDISA-N 453.973 3.753 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F 169700738 VVSYBPIXJIERDK-IATAILRESA-N 495.942 3.505 50 1 JHGF CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@H]1C[C@H](C)CCl 2356486448 SMVFICSBIUXYHT-WUHRBBMRSA-N 476.228 3.810 50 1 JHGF CCC[C@@H](C[C@@H](O)C(Br)Br)OC(=O)C(Br)Br 2356802717 SPQANOSXHQDVEP-NTSWFWBYSA-N 489.824 3.681 50 1 JHGF COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@H]1OC 254224426 OZEWPNYDUHPUBQ-HVWQDESWSA-N 451.523 3.772 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2ccc(F)cc2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504151414 ZSOFWGIDBCDDFY-HMBDOCNNSA-N 491.556 3.973 50 1 JHGF biogenic COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)N(C)N=O)CC2 29230053 XMGDWNKNFDSIKQ-OAHLLOKOSA-N 459.524 3.772 50 1 JHGF O=C1OC(=O)c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)ccc21 586906496 MUWFLWSPZWLCGW-UHFFFAOYSA-N 453.863 3.995 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 618009233 UKBAKSHRJHOHKZ-ZDUSSCGKSA-N 480.483 3.610 50 1 JHGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 618017791 PQSOOHFXDVQTAB-VXLLPVPCSA-N 469.639 3.794 50 1 JHGF COc1ccc(C(=O)NNC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(OC)cc4)n[nH]c2-3)cc1 14945668 RKCYAQLWSYUIGW-UHFFFAOYSA-N 483.484 3.772 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 587614877 VMPWUFAOZZFWBP-DHLKQENFSA-N 499.972 3.951 50 1 JHGF COc1cccc([C@@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3cc4c(cc3N2)OCO4)c1 13779254 DQCYPSWFLGWNBO-YDOQBNPLSA-N 486.528 3.679 50 1 JHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC[C@](C)(/C=C/[C@@H]3OC(=O)C=C3C)OO)[C@](C)(O)C[C@H](O)[C@H]21 238737882 FWUBFQSZJNVEKR-HUPUQCSXSA-N 480.598 3.560 50 1 JHGF Cc1c(O)ccc2c1[C@@](CBr)(c1c(F)ccc(F)c1Br)N[C@H](C(=O)O)C2 963472135 PAGHRGVWOYZMOD-SGTLLEGYSA-N 491.126 3.979 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]2N1 587686424 VBEONEDYHWEYQD-UUFIDDLGSA-N 456.787 3.772 50 1 JHGF COc1ccc(Cl)cc1C#Cc1ccc(-n2c(SCC(=O)NN)nc3ccccc3c2=O)cc1 587919471 OZEURPVFIIXVKD-UHFFFAOYSA-N 490.972 3.530 50 1 JHGF NC(=O)COc1ccc([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962962744 XBJJFJRESVEXFH-QFIPXVFZSA-N 468.903 3.703 50 1 JHGF COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 66251906 HJVWORJBWMKBFM-BRJLIKDPSA-N 468.853 3.977 50 1 JHGF O=C1C[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500576 SNKQJEFOAFSBNG-HSZRJFAPSA-N 454.320 3.961 50 1 JHGF O=C(CCS(=O)(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 27559277 GFNLSKNIJUQMTI-UHFFFAOYSA-N 489.937 3.791 50 1 JHGF C[C@H]1CCCCN1C(=O)N(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1 29324026 GEBTZAHBWZLPGP-SFHVURJKSA-N 479.606 3.814 50 1 JHGF Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1 618007934 NPAXDXREVDYKDY-LJQANCHMSA-N 476.668 3.561 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccc(F)cc2C[C@H]2CCCN23)[C@H]1c1cccs1 963114582 UVDTYUCDWCNABU-YCEDGAFSSA-N 463.534 3.729 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccc(F)cc2C[C@@H]2CCCN23)[C@@H]1c1cccs1 963114583 UVDTYUCDWCNABU-YVPSIOQSSA-N 463.534 3.729 50 1 JHGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963840664 BMXOAXUGBWAPQW-LNZPYGSCSA-N 497.972 3.560 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C 40974979 LGDYOAVRXJYRRK-WRBVQICDSA-N 485.017 3.605 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cccc(C)c12 1857552956 YZNHTVYYNJSOJG-OAQYLSRUSA-N 456.531 3.543 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587840475 LKWWOAJTVCKCSR-BBATYDOGSA-N 461.784 3.976 50 1 JHGF O=C(O)CCCCCCC(=O)N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 95809003 SZRULTWNTNRGDL-LFVJCYFKSA-N 455.536 3.754 50 1 JHGF O=C(NNC(=S)NCc1ccc(-c2ccccc2)cc1)[C@H]1CNc2cc(Cl)ccc2O1 96285271 AMBNHRKSVDUTMT-OAQYLSRUSA-N 452.967 3.875 50 1 JHGF COC(=O)[C@@H]1CCCC[C@@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28351374 CCWMWRRLZHZSIW-CBQOVEMMSA-N 478.618 3.864 50 1 JHGF O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 29565332 XSYODUUPEOPEIR-OAHLLOKOSA-N 467.353 3.767 50 1 JHGF CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587009341 ANPVQYDMANSLSZ-UHFFFAOYSA-N 474.892 3.973 50 1 JHGF C=C(O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)OC)=CC[C@H]1NC(=O)OC(C)(C)C)C(=O)OC 205855431 IILRTLGYUHGMNL-SQNIBIBYSA-N 485.650 3.845 50 3 JHGF CC1CCN(C(=O)N(Cc2ccc(C(=N)NO)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 29321648 KXJCWRLQLZOYIQ-UHFFFAOYSA-N 495.605 3.691 50 1 JHGF CC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 40441821 WNTSIEPLTIQXKX-OJTUXORKSA-N 452.950 3.713 50 1 JHGF Cc1c(C(=O)N/N=C/c2ccc[nH]2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28368142 FQCYVMWBYXHWDL-RWPZCVJISA-N 473.500 3.802 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853109 KUNFDAYWQUUPJS-XTZNXHDOSA-N 460.800 3.876 50 1 JHGF COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 1857564295 FKJFAUSZKZYNCF-UHFFFAOYSA-N 477.584 3.877 50 1 JHGF CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618007645 DBOSMJLRWWORRU-OAHLLOKOSA-N 476.133 3.973 50 1 JHGF Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc3cccnc23)cc1 8683283 AMXYDRMRDOLNCY-MFKUBSTISA-N 464.572 3.950 50 1 JHGF CN1CCc2c(Br)cccc2[C@@]1(CCl)c1ccc(CCNS(C)(=O)=O)cc1 963288869 GPACRBUEKSDWQQ-HXUWFJFHSA-N 471.848 3.511 50 1 JHGF C#CCN(N=O)C(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 17196931 GGYJNTBHBHANPL-JOCHJYFZSA-N 480.521 3.521 50 1 JHGF Cc1c(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 40980440 AACCHUCVRBYCHN-NKFKGCMQSA-N 479.949 3.592 50 1 JHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587852321 FKJLDZGZEXBDAZ-YPMLDQLKSA-N 460.800 3.876 50 1 JHGF C[C@@H]1CCCCN1C(=O)N(Cc1ccc(C(=N)NO)cc1)NS(=O)(=O)c1ccc2ccccc2c1 29336348 BAHWCCUGNLIIBV-GOSISDBHSA-N 495.605 3.834 50 1 JHGF CC1=CC=CCC[C@H](OC(N)=O)[C@@H](O)C=C[C@@H](O)CCCC=CC(=O)O[C@@H]([C@H](C)/C=C(\C)C=O)C1 254129948 XKGDMUIDORFBTK-PSECXZJQSA-N 489.609 3.834 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(c2ccccc2)N1 587671929 BLGUBAYDGWOFHM-HXPMCKFVSA-N 470.180 3.877 50 1 JHGF CO[C@@H]1C[C@H](Cl)[C@H]2C[C@H](C=C=CBr)O[C@H](C)[C@@H](O)[C@@H](C[C@@H]1Br)O2 2356418961 BWMXTENBOUZINM-KEFWCQPWSA-N 474.617 3.522 50 1 JHGF CC1(C)[C@H](Br)C[C@H](O)[C@]1(C)[C@@]1(O)CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@]2(O)C1 42877273 DNRSHPZOBKEHNQ-AWJYIKAYSA-N 498.296 3.508 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2cccc(F)c2)c2ncccc2c1 1772585233 NJYSFWGKBXCKGM-OAHLLOKOSA-N 454.506 3.999 50 1 JHGF CC1CCN(C(=O)N(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 29321653 WXLILDXQUZIWFM-UHFFFAOYSA-N 479.606 3.671 50 1 JHGF in-vivo CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 82053232 VBXBPCPSEFTXDZ-IBGZPJMESA-N 476.413 3.762 50 1 JHGF O=C(CBr)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538897 RYXNPSSEQLQIKT-NZQKXSOJSA-N 468.303 3.760 50 1 JHGF CC(=O)O[C@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O 27874254 FSUCSZKGFXRWKL-LXTVHRRPSA-N 456.109 3.996 50 1 JHGF COC(=O)[C@@H]1CCCC[C@@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 141257695 CCWMWRRLZHZSIW-UZKOGDIHSA-N 478.618 3.864 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169728596 OUKDLWAAMCMZEI-YUWMNJNFSA-N 450.604 3.884 50 1 JHGF CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Br)C1 587546661 XFJPNLRLRRTRIX-FIKGOQFSSA-N 462.296 3.718 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2cccc(F)c2)c2ncccc2c1 1772585232 NJYSFWGKBXCKGM-HNNXBMFYSA-N 454.506 3.999 50 1 JHGF CC(=O)NC1C2CC3CC1CC(C2)C31OOC2(CCC(c3ccc(OCC(=O)O)cc3)CC2)O1 1857567738 CNIVNRMEVWEILT-UHFFFAOYSA-N 471.550 3.749 50 1 JHGF CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(/N=C/C(C#N)=C(\O)OCC)cc2)cc1 101063175 DRMYXGNKNZPWAV-DZHKAMCZSA-N 494.529 3.934 50 1 JHGF COC(=O)CCCC#CC#C[C@@H](Br)[C@H](O)CCCCC#C/C=C/Br 238777387 JJSKWMHHQMBMHV-AENFJUBXSA-N 458.190 3.933 50 1 JHGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962675380 WRVPQDWKGPLGOF-DQEYMECFSA-N 481.936 3.503 50 1 JHGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=S)Nc1ccccc1 28229472 ZFBFPTGJPDQLFW-UHFFFAOYSA-N 477.421 3.828 50 1 JHGF Cc1c(Sc2ccccc2)n(COCO)c(=O)n(CCCCCCCBr)c1=O 29396645 NIHNEXAGZIBWAU-UHFFFAOYSA-N 471.417 3.739 50 1 JHGF C[C@@]12CCCC(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])=C1C(=O)O[C@H]2c1ccoc1 103290889 ATGCHBRWDBUIQG-IWERERLVSA-N 454.395 3.597 50 1 JHGF NC(=O)c1cc([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)ccc1O 962996283 ONYUALSIWRHUSE-OAQYLSRUSA-N 458.381 3.644 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Br)C1 587677486 ASOLXGIVTXWYGT-GLZQIGESSA-N 464.173 3.943 50 1 JHGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)N1 962929800 UHLGIQSMGKAJPH-XUZZJYLKSA-N 465.893 3.848 50 1 JHGF O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1 66075299 PQJILTUZMJKAGC-UHFFFAOYSA-N 457.402 3.665 50 1 JHGF CCC(=O)O[C@]1(C(=O)CC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 253849875 DRASCZVGXPOSFJ-VZFUPCQASA-N 495.012 3.690 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 587614880 VMPWUFAOZZFWBP-WIOPSUGQSA-N 499.972 3.951 50 1 JHGF NNC(=O)c1cccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587879604 WEAHCOIRHQIVLC-UHFFFAOYSA-N 482.367 3.886 50 1 JHGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccccn1 618016696 AFQMDZLCZOGSAN-OIBXWCBGSA-N 486.707 3.857 50 1 JHGF O=C(NC[C@@H]1CN(c2ccc(NS(=O)(=O)CCCCl)cc2)C(=O)O1)c1ccc(Cl)s1 113066370 KGQZMGDQAHIPQC-CQSZACIVSA-N 492.406 3.527 50 1 JHGF C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 98083254 NRNXZRSGHVUQAA-FQEVSTJZSA-N 469.884 3.982 50 1 JHGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 45289013 MQGOONOUUVLECF-FQEVSTJZSA-N 489.384 3.946 50 1 JHGF O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCBr)cc3)c2c2ccsc12 215588313 YBMGQJJLOBQNFM-UHFFFAOYSA-N 479.377 3.789 50 1 JHGF O=C(CCl)Nc1ccc(SC[C@H](O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13581023 IPBNOTWUHVFALE-HNNXBMFYSA-N 477.848 3.883 50 1 JHGF O=C(N/N=C/c1ccc(OCCn2cc(COc3ccc(Cl)cc3)nn2)cc1)c1ccncc1 169346140 HIUXSLSGRWZJNR-JFLMPSFJSA-N 476.924 3.748 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Br)C1 587682094 MLDXWBRWTGMVJJ-PGQWDYDZSA-N 464.173 3.943 50 1 JHGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118934027 PGFABUSMKJULOA-GSLJADNHSA-N 457.394 3.960 50 1 JHGF CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 587672053 CSCOCIFXDUIIBK-XLFHBGCDSA-N 472.156 3.509 50 1 JHGF CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 587672054 CSCOCIFXDUIIBK-XYZCENFISA-N 472.156 3.509 50 1 JHGF COc1cc(C(=O)c2[nH]c3ccccc3c2NC(=O)CI)cc(OC)c1OC 653806390 YUFOQWDLGHGQTH-UHFFFAOYSA-N 494.285 3.798 50 1 JHGF CC1(C)[C@@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356439974 JEVYNKSHGQMDPV-MLGOKKRCSA-N 461.747 3.706 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@H](OC(=O)C(C)=CC)[C@H]1O 2356457992 DGJSOBCOIVBILD-KFGXZJHCSA-N 485.017 3.605 50 1 JHGF NC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587319486 BWVCJAWOEHMZLU-NFBKMPQASA-N 486.293 3.985 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(C(C)(C)C)N1 587673401 MOYWWZHMTVYBQP-BMLIUANNSA-N 450.190 3.875 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841130 PVJLVQMAFNXQQW-XCLFUZPHSA-N 489.838 3.697 50 1 JHGF CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)CCc1ccccc1 45389196 MEESNWIPVLGWFL-VWLOTQADSA-N 456.546 3.923 50 1 JHGF COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103211576 OZJKCCIOMYAYLJ-TZIWHRDSSA-N 497.338 3.882 50 1 JHGF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@H](N)[C@H]1O 253837915 YKMLLJFPFAASLT-NVVDGROLSA-N 455.470 3.735 50 1 JHGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc21 962975640 XZCLBAUEZFFCTL-QVKFZJNVSA-N 455.288 3.929 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2ccc(O)cc2)c2ncccc2c1 1772616476 JQJFXXAIJNTJMQ-OAHLLOKOSA-N 452.515 3.566 50 1 JHGF O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)cc1 1658713 YNZMEJUCGATQOO-OMUNZOLNSA-N 492.404 3.547 50 1 JHGF CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 118917278 MUQNGPZZQDCDFT-YTEJHVNCSA-N 454.966 3.889 50 1 JHGF C=C(CCCC(C)=O)[C@@H]1[C@H](OC(C)=O)O[C@H](OC)C(=CC=CC(C)(C)OO)[C@H]1CC(=O)O 2356513357 WSQOTVHJIKBSCQ-RYFAJOAYSA-N 454.516 3.652 50 1 JHGF C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)C(C)=CC)[C@@H]1C[C@H](Cl)[C@](C)(O)[C@H](O)[C@H]1OC(=O)C(C)=CC 2356694858 LGDYOAVRXJYRRK-KFGXZJHCSA-N 485.017 3.605 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669963 HJHLLXLEPIXIJR-SLIIYKDFSA-N 499.174 3.872 50 1 JHGF O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103282427 UWGMWPDMZJIBPP-KBPBESRZSA-N 453.311 3.518 50 1 JHGF CCOC(=O)CN(C)C(=O)[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C 195376172 GPHLSGVQVWWBHV-KRWDZBQOSA-N 456.656 3.923 50 1 JHGF CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1 13677321 LJGXREKFTOOZBM-MFKUBSTISA-N 487.965 3.790 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2ccc(F)cc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504151402 ZSOFWGIDBCDDFY-AFYKKZOBSA-N 491.556 3.973 50 1 JHGF biogenic Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587853107 KUNFDAYWQUUPJS-MGNBDDOMSA-N 460.800 3.876 50 1 JHGF CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606894 JEDDJJPPQLSVLQ-REWPJTCUSA-N 467.524 3.867 50 1 JHGF O=C(CCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2I)cc1 1857771178 TXWDJOLFVDREFL-UHFFFAOYSA-N 465.696 3.626 50 1 JHGF C[C@@H]1N[C@@H](C(=O)NNC(=O)CCCNc2ccnc3cc(Cl)ccc23)Cc2c1[nH]c1ccccc21 1911580970 WCZXATHLHWXOEN-NPMXOYFQSA-N 490.995 3.985 50 1 JHGF COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 35862225 SHPQMCUDHJJTAU-GKRPYSMHSA-N 453.329 3.832 50 1 JHGF COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497459 CIVDSBOMPWXPCM-FYYLOGMGSA-N 457.320 3.932 50 1 JHGF CC[C@H](C(=O)c1ccc(CS(=O)(=O)O)cc1)N1CCC(O)([C@H]2C=C(Cl)S[C@H]2Cl)CC1 2356738452 PDSZZDJAEOPYMI-FRQCXROJSA-N 494.462 3.871 50 1 JHGF CC1CCN(C(=O)N(Cc2cccc(C(=N)NO)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 29336403 GCPPMBSGYIARDA-UHFFFAOYSA-N 495.605 3.691 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@]21C 299808306 PKRUHBYJBPPQKN-KSXOBDICSA-N 452.975 3.731 50 1 JHGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587425262 AYJFMCNONMNWII-BUXKBTBVSA-N 452.232 3.789 50 1 JHGF C/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 169373615 XKGDMUIDORFBTK-ACDSZUPESA-N 489.609 3.834 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1cccc(Cl)c1 199891247 QSFKOWYCUOLQQQ-QZTJIDSGSA-N 462.293 3.889 50 1 JHGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O)O[C@H]1O 2356860312 UDWHXJRDDKZCNF-BZWCZKLZSA-N 474.425 3.731 50 1 JHGF COc1ccc2c(c1)C(=O)c1c-2n(CCCI)c(=O)c2cc([N+](=O)[O-])ccc12 28711251 UUJPBZJHYIEZMS-UHFFFAOYSA-N 490.253 3.955 50 1 JHGF COc1cc2c(cc1OC)[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)N(C)[C@H](C)C2 962568814 LIPZYPQGIVRFNL-MPKWNAGQSA-N 455.393 3.790 50 1 JHGF Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc3ccc(=O)oc3c1)C(=O)N2Cc1cccc(F)c1 1857589928 NKXZNILRKDZOED-BXVZCJGGSA-N 485.471 3.687 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198845 ANJHMDUQQGXSIT-RQYRRZSXSA-N 464.555 3.837 50 1 JHGF COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103211573 OZJKCCIOMYAYLJ-FPOVZHCZSA-N 497.338 3.882 50 1 JHGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)/C(=C/c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963529167 VLVBRUOSEAZHMZ-IEMLHUFESA-N 476.916 3.573 50 1 JHGF CCOC(=O)C/C=C(\C=O)[C@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118919951 YJOXEBSUFJMIHR-CAEQZVLHSA-N 488.621 3.805 50 1 JHGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675384 WRVPQDWKGPLGOF-LOSJGSFVSA-N 481.936 3.503 50 1 JHGF COc1ccc2nccc([C@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4[C@@H](C)I)c2c1 2356524199 UWVMXKAGINOCHU-SSXUBFBASA-N 452.336 3.811 50 1 JHGF COc1ccc([C@@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(OC)c1 962640107 NMWYCAIAEWMHRM-DNQXCXABSA-N 485.378 3.989 50 1 JHGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(N3CCC(CCC(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772627831 MARQRCANXIMJDC-RUZDIDTESA-N 467.545 3.967 50 1 JHGF O=C1/C(=N/CCC2C[C@H](Br)C(O)[C@H](Br)C2)C(Cl)=C(O)c2cccnc21 26576607 CUGPZFHZFZVIKF-NWIOUURVSA-N 492.595 3.872 50 1 JHGF CC[C@@H]1[C@H](Br)C[C@H](Br)[C@]2(O)O[C@@H]3C[C@H](C=C=CBr)O[C@@H]3[C@@H]12 2356618932 OUMZHLOKCPXJMJ-HYEWXHIGSA-N 487.026 3.868 50 1 JHGF CCn1c2ccccc2c2cc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)ccc21 27519284 HRFARLBNXZNAGH-RWPZCVJISA-N 491.515 3.791 50 1 JHGF CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1 66113753 VQKRNTTUZDCHOZ-SFHVURJKSA-N 466.567 3.738 50 1 JHGF CCC(Br)=CC=C[C@H](O)[C@H](Br)[C@@H]1O[C@H](C=C=CBr)C[C@@H]1O 2356405475 UTNSPXWSOISNAK-CUSWGACESA-N 487.026 3.938 50 1 JHGF Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857582996 MJTXVFDSHJXYLW-MHZLTWQESA-N 463.449 3.799 50 1 JHGF Cc1c(F)ccc2c1[C@@]1(NCC2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 962148842 VFUYYMQCFITPPQ-XJCJYPBBSA-N 469.192 3.713 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@H]4C(C(N)=O)=C[C@H](Cl)C=C34)c2)cc1F 261179971 VVSYBPIXJIERDK-ODIUBACGSA-N 495.942 3.505 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609998 WVGXRHKKFGEJHI-URXFXBBRSA-N 487.961 3.580 50 1 JHGF COCCOc1nc(-c2cccc(Br)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653863932 AVTXHOKDYDZHGV-UHFFFAOYSA-N 465.735 3.899 50 1 JHGF CCN1Cc2cccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4ccc(OC)cc4[nH]3)c2C1=O 1857638989 UJBNMIBDBOIZNC-IBGZPJMESA-N 496.999 3.604 50 1 JHGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 58568504 LPGYDCNHOYCKHI-UHFFFAOYSA-N 497.394 3.756 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 618008691 YQQBQGDUHVOUBP-IBGZPJMESA-N 451.702 3.896 50 1 JHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(OC)c(O)c4)cc3)o2)c(OC)c1 473247521 DZUMMOMCZBCJSX-VULFUBBASA-N 474.473 3.899 50 1 JHGF CC[C@]1([C@@H](Cl)C(=O)OC)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963470901 MFAMQGBKKFCBCB-JXQFQVJHSA-N 454.910 3.705 50 1 JHGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)c(OC)c1OC 1772578585 YKWXKPNFZCAJGM-IBGZPJMESA-N 455.474 3.609 50 1 JHGF C[C@@H](NC(=O)C(=O)N/N=C1\C[C@H](c2ccccc2F)Nc2cc3c(cc21)OCO3)c1ccccc1 13779252 HNQDHHXMKWWUJH-YDDDIIMSSA-N 474.492 3.809 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 587373857 TXEDPFOBEGBOGL-RIQWDQOCSA-N 481.184 3.519 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H](CCCCO)[C@]42CC3=O 2356767563 DQNNONYJPZBYNN-LGGQCDICSA-N 495.755 3.866 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]2N1 587686425 VBEONEDYHWEYQD-WWGWPZPMSA-N 456.787 3.772 50 1 JHGF COc1cc(NC(=O)c2ccc(F)c(NC(=O)[C@H](C)Br)c2)cc(OC)c1OC 28954501 VUSVDNGEKSNFPI-JTQLQIEISA-N 455.280 3.826 50 1 JHGF Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCCBr)c3ccccc31)C(C#N)=C(N)O2 98081983 GJSSYRUQEVZFLS-DEOSSOPVSA-N 490.361 3.685 50 1 JHGF CCOc1ccc2c(c1)SC1=NC(C)=C(C(=O)NNC(=O)c3ccncc3)[C@@H](c3ccccn3)N12 1857534246 ZVHFXPTYCOEEDE-JOCHJYFZSA-N 486.557 3.634 50 1 JHGF Cc1c(F)ccc2c1[C@@]1(NCC2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 962148838 VFUYYMQCFITPPQ-VQHIOQKTSA-N 469.192 3.713 50 1 JHGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 38562946 WWDZEXIJJNQHFV-JNQJZLCISA-N 452.950 3.665 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 299808307 PKRUHBYJBPPQKN-QFYSZGTGSA-N 452.975 3.731 50 1 JHGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl 587864194 DMCABJVNXRNBRG-UHFFFAOYSA-N 475.258 3.844 50 1 JHGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963026749 KDBHCNJTUYVFOM-VXOUBLIBSA-N 454.368 3.652 50 1 JHGF CC(=O)Nc1ccc([C@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963138091 HSFFOLYQTPWMKZ-IIBYNOLFSA-N 465.959 3.830 50 1 JHGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2ccncc2Cl)N1 962979488 SLSCWGIJEVBANE-BLLLJJGKSA-N 452.082 3.904 50 1 JHGF CCOC(=O)C/C=C(\C=O)[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299848967 YJOXEBSUFJMIHR-AOGZWFJCSA-N 488.621 3.805 50 1 JHGF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@H](Br)[C@H]1CC[C@@]2(C)[C@]1(C)CS(=O)(=O)ON 963235019 FFNCRUVJUMVNQN-KCRXAXGKSA-N 485.488 3.958 50 1 JHGF CNC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2OC)cc1 29126118 PADFWWFXEQVDOR-UVHMKAGCSA-N 467.909 3.757 50 1 JHGF COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CBr)c(OC)c1 43080291 ADAAPIYMLNRAOL-KRWDZBQOSA-N 463.328 3.794 50 1 JHGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N[C@@H](CO)Cc1ccc(O)cc1 64560391 OHOBQHMUVODGTO-HXUWFJFHSA-N 453.410 3.719 50 1 JHGF CO[C@@H]1C[C@H](Cl)[C@H]2C[C@H](C=C=CBr)O[C@H](C)[C@H](O)[C@@H](C[C@H]1Br)O2 2356418964 BWMXTENBOUZINM-YLNQMNQXSA-N 474.617 3.522 50 1 JHGF CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765506 ZYWYJDJKKOTRQU-QSBCZCASSA-N 464.522 3.666 50 1 JHGF Cc1cc(C(=O)NNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)n[nH]1 1772654541 RGJLYIHMAMLOCW-ZRDIBKRKSA-N 478.516 3.978 50 1 JHGF CCN(CC)Cc1c(O)ccc(/C=N/NC(=O)NCCNc2ccnc3cc(Cl)ccc23)c1O 14980207 ADJWHZIVAYREMY-IPPBACCNSA-N 484.988 3.886 50 1 JHGF NC(=O)COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326759 MZVUOXBYTPQQNU-VWNXMTODSA-N 455.869 3.889 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609993 WVGXRHKKFGEJHI-QPPBQGQZSA-N 487.961 3.580 50 1 JHGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962969352 DUPJFHJWLXFHSI-ZHRRBRCNSA-N 469.315 3.999 50 1 JHGF CCOC(=O)[C@]1([C@@H](C)Br)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963468719 IURVDOXFJCIKOJ-PBPZHQAMSA-N 499.361 3.861 50 1 JHGF COC(=O)[C@H](C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)OC(=O)[C@H]13 473248092 LKVSMHZQBFSAJT-WRUMHZJJSA-N 485.621 3.805 50 1 JHGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 962701240 AFNOJEOPFLGBOR-HNNXBMFYSA-N 475.162 3.994 50 1 JHGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(I)c1OC 13586113 KYYRWMXKBFTLSJ-GOSISDBHSA-N 477.302 3.593 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(c2ccccc2)N1 587674191 UKEFPPSGYLJYHJ-BLVKFPJESA-N 470.180 3.877 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587850119 PAFDKJIDEJSZBK-BLVKFPJESA-N 469.401 3.984 50 1 JHGF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CCl)O[C@@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 299808995 FSUCSZKGFXRWKL-XGUBFFRZSA-N 456.109 3.996 50 1 JHGF Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587542092 FQGAABOUTHRNBP-RDPSFJRHSA-N 450.878 3.679 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587674190 UJDXTUQJKLTUSP-YYSFKGJASA-N 472.152 3.565 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 618012351 BSLGGDXZJCYJIG-INIZCTEOSA-N 463.591 3.617 50 1 JHGF CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/C#N)[C@@H]2SC1 40700793 AOPBSHJSTFMTHH-KBXFHMSTSA-N 460.511 3.501 50 1 JHGF CC[C@@H]1[C@@H](Br)C[C@@H](Br)[C@]2(O)O[C@H]3C[C@H](C=C=CBr)O[C@H]3[C@H]12 238771520 OUMZHLOKCPXJMJ-WOGLUQIUSA-N 487.026 3.868 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@@H](C)NC3=NC=N[C@@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F 169700735 VVSYBPIXJIERDK-GGRMYQCBSA-N 495.942 3.505 50 1 JHGF CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1OO 238762400 YZMKUCUMIIGSIT-YHBIJTCLSA-N 465.590 3.873 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CS(=O)(=O)c1ccccc1 587611174 ZLZIZKIIMQYWJC-SIKLNZKXSA-N 489.343 3.961 50 1 JHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616343 CAUGWKVTVNXBSW-GCJKJVERSA-N 458.923 3.759 50 1 JHGF CC1=C(C)[C@H](OO)[C@@H]2C=CC[C@@H](C)[C@@H](O)[C@@H](C)C=CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]13 2356780552 YZMKUCUMIIGSIT-RCGODBJYSA-N 465.590 3.873 50 1 JHGF C=CCc1cc(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc(OC)c1O 8400357 XBOOVPTXLQVZPL-CVKSISIWSA-N 496.589 3.939 50 1 JHGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)[C@H]3C2=C[C@H](O)c2[nH]c(C)c(CN(C)C)c23)cc1 26749193 ATTSGKXQLOBIQJ-ZUCVKRLWSA-N 455.986 3.818 50 1 JHGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(N)=O 587329984 ZDJOVVMVVOIARM-ISKFKSNPSA-N 456.901 3.928 50 1 JHGF COOC(=O)[C@H]1C[C@H]2O[C@]1(C)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 195771104 JKEBWJSRGQOXNU-TUZCJGOLSA-N 499.479 3.883 50 1 JHGF in-vivo NC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587319488 BWVCJAWOEHMZLU-NZQKXSOJSA-N 486.293 3.985 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587673279 MBHSUOTYOIDLHA-HUTHGQBESA-N 476.140 3.926 50 1 JHGF O=C(N/N=C/c1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29557357 UGLFLMFREBHQGD-AKLYFZKISA-N 453.546 3.771 50 1 JHGF C[C@H](OP(=O)(NCCBr)NCCBr)c1ccc([N+](=O)[O-])s1 223582244 YGRSMPWCLPAZDB-QMMMGPOBSA-N 465.104 3.811 50 1 JHGF COc1cc2c(c(OC)c1OC)N[C@H](C(=O)N1C[C@H](CCl)c3c1cc(O)c1ncccc31)C2 55652222 PGHAETMEBBAZNN-ZFWWWQNUSA-N 469.925 3.672 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)CC2=O 587482311 CSOIQPZBWSBSAV-JOCHJYFZSA-N 451.972 3.536 50 1 JHGF CC1=C([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 963095550 COKQCUSDVVPOIU-WKMTVDICSA-N 456.521 3.950 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@H](Cl)[C@H]4c4ccccc4O)c[nH]c3c12 103214633 VNHWCCRONWAZTC-UYAOXDASSA-N 483.311 3.579 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)NC(=O)CCl)cc1 587886145 JJCMCXYCXNKLFE-UHFFFAOYSA-N 452.725 3.591 50 1 JHGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3N)ccc21 1857754519 MEJYJNPWPOLTPU-MHZLTWQESA-N 476.552 3.598 50 1 JHGF O=c1nc2oc(CCCCCCCCCOCCCCCl)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 27518597 GJBQFZOXNXIHIN-BHDDXSALSA-N 485.021 3.939 50 1 JHGF O=C(NNC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])o1 84741585 MCMQWIIWGLAXTB-NRFANRHFSA-N 483.912 3.603 50 1 JHGF O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc3cccc1c23 95583419 YMPSSVSGRBKQDK-UHFFFAOYSA-N 466.349 3.878 50 1 JHGF COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497461 CIVDSBOMPWXPCM-GGAORHGYSA-N 457.320 3.932 50 1 JHGF CCOC(=O)/C(C#N)=C1/Sc2c(ncn(/N=C/c3ccc(OC)cc3)c2=O)N1c1ccccc1 1633235 WSZRJYQCZHMVAK-TZZLTZKDSA-N 473.514 3.676 50 1 JHGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1 13779093 UGXATLNWGKUSNL-UHFFFAOYSA-N 461.453 3.850 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587840400 KUHOFLYHZRAWBT-MPBGBICISA-N 487.822 3.927 50 1 JHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CC[C@](C)(C=C[C@@H]3OC(=O)C=C3C)OO)[C@](C)(O)C[C@H](O)[C@H]21 2356410934 FWUBFQSZJNVEKR-ZNGQTOEZSA-N 480.598 3.560 50 1 JHGF COc1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1OC 103247297 PIXGHZHJJHQPPO-OGLMXYFKSA-N 481.984 3.568 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)CC2=O 587488961 UAESPZHYEMMRGU-HXUWFJFHSA-N 458.001 3.597 50 1 JHGF COCCCN1CCc2ccc(OC)cc2[C@]1(CNC(=O)CCl)c1ccccc1Br 961318385 GQTLHCVYQGTOJS-QHCPKHFHSA-N 495.845 3.951 50 1 JHGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccc(OCCN2CCOCC2)cc1 1857653968 QXKBHATUIPOBRB-BRNJCRMOSA-N 485.588 3.905 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O 587487052 MTDZADJEVLEUNO-NRFANRHFSA-N 482.396 3.851 50 1 JHGF COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 13492722 JDWHJNQGGZXHOV-MZJWZYIUSA-N 462.893 3.871 50 1 JHGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12 95597810 SYNBBJKIKWSXEW-INOOMSPWSA-N 466.626 3.718 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534200 XPHRNIPXAXBNFO-OAQYLSRUSA-N 454.013 3.818 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cc(C)ccc12 1857548507 AYSVGOCADYAHSK-NRFANRHFSA-N 456.531 3.543 50 1 JHGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 40394920 MYNBLXYCLGEETQ-LWROZRRASA-N 455.967 3.688 50 1 JHGF C[C@@H](OP(=O)(NCCBr)NCCBr)c1ccc([N+](=O)[O-])s1 223582295 YGRSMPWCLPAZDB-MRVPVSSYSA-N 465.104 3.811 50 1 JHGF CCC(Br)=CC=C[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 2356405477 UTNSPXWSOISNAK-OIHVRWOPSA-N 487.026 3.938 50 1 JHGF Cc1c(C(=O)N/N=C/c2cccn2C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28384549 DMEAQCCBNIIZOV-LQKURTRISA-N 487.527 3.812 50 1 JHGF COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)SC 103278009 ZTSAHMOCZDFEMI-OBGWFSINSA-N 483.999 3.761 50 1 JHGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(/C=C\CBr)[nH]c4c3)cc2)CC1 586972912 CPTNQLCROOXLNX-IHWYPQMZSA-N 468.399 3.971 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587683195 FTGBLPDAJSRWSR-YBTHPKLGSA-N 452.755 3.795 50 1 JHGF COc1ccc(/C=C(\C#N)C(=O)NCCCCCNC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 13676750 YXUIFJJBPHBDBY-LKNRODPVSA-N 472.545 3.621 50 1 JHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)OCCN(C)C)cc4)[C@]13OO2 102198245 GWNVRBDHQSEZAV-WYMBGIKYSA-N 491.581 3.568 50 1 JHGF C[C@]12CCSSC[C@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H]1CC=C[C@@H](C3=O)[C@@]412 85549521 AUOJMECYGGZYNA-YLDMDQPTSA-N 461.697 3.680 50 1 JHGF biogenic,in-vitro CN(C)CCN(C)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492714 FHVIJFGVYOLCCS-JVWAILMASA-N 466.969 3.525 50 1 JHGF N=C(N)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 29337700 SDAOBYDAFNNPLM-UHFFFAOYSA-N 479.606 3.815 50 1 JHGF CC1(C)[C@@H]([C@H](Br)C(Br)(Br)Br)[C@H]1C(=O)O 39321310 VSBCUTLTLUSECJ-WISUUJSJSA-N 457.782 3.945 50 1 JHGF in-vitro CCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(I)ccc21 40391507 XBFOCRDZKPDRQV-PYCFMQQDSA-N 461.303 3.962 50 1 JHGF CCCC[C@@](O)(C(=O)NCCCCCC(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 64633603 LYAVXWPXKIFHBU-RUZDIDTESA-N 455.555 3.729 50 1 JHGF in-vitro O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(Cl)c1)N[C@@H](CC1CCCCC1)B(O)O 195462315 QMIQWTSQZCNGIC-VXKWHMMOSA-N 456.779 3.668 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 587672048 CSCOCIFXDUIIBK-HUTHGQBESA-N 472.156 3.509 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587840401 KUHOFLYHZRAWBT-ODXCJYRJSA-N 487.822 3.927 50 1 JHGF CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCl)Cc2ccccc2)cc1 72113611 JYKUNFFLRLTEGP-DQEYMECFSA-N 477.992 3.952 50 1 JHGF COC(=O)[C@H]1CCCC[C@H]1NNC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28136149 CCWMWRRLZHZSIW-RCZSKKKRSA-N 478.618 3.864 50 1 JHGF Cc1c(F)ccc2c1[C@@]1(NCC2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 962148835 VFUYYMQCFITPPQ-DVQWLCMDSA-N 469.192 3.713 50 1 JHGF CC[C@H](C)C=CCCCCC=CC=CC=CC(=O)N[C@@H]1CO[C@]2(O)C=C[C@H](Cl)[C@H](O)[C@@]2(O)C1 2356718737 FQBWNVBDQZRLFD-FWQMOCORSA-N 480.045 3.681 50 1 JHGF C=CCN1C(=O)[C@@]2(C(C#N)=C(c3c[nH]c4ccccc34)OC(N)=C2C(=O)OCC)c2ccccc21 53242992 UNUNOKSEFKXTFM-HHHXNRCGSA-N 466.497 3.637 50 1 JHGF CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 2632063 RCPKWBHZMPPWCI-BUVRLJJBSA-N 473.986 3.629 50 3 JHGF O=C1c2cc3c(cc2[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCBr)OCO3 27187063 CSQJIIYGYVBEJH-QZTJIDSGSA-N 459.252 3.586 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 195482007 HRGRFZLKWPCHPI-ZTZLQUFHSA-N 485.730 3.676 50 1 JHGF CCN1Cc2cccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4cccc(OC)c4[nH]3)c2C1=O 1857646514 SUSCKKDAYSCSJK-SFHVURJKSA-N 496.999 3.604 50 1 JHGF CCOC(=O)c1cc(/C=N/NC(=O)Nc2ccccc2)c(O)c(/C=N/NC(=O)Nc2ccccc2)c1 95552488 VMRNBCWRNNFXRM-JQMRRPHZSA-N 488.504 3.880 50 1 JHGF Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)N/N=C/c2ccccc2Cl)SCCS3)cc1 653737502 PCLXIUKSLGIXPH-QMFLXTPQSA-N 496.079 3.738 50 1 JHGF O=C(NNC1=C[C@@]2(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c2ccccc21)c1ccccc1 962640343 OLNDFRRVXCAIME-KBMIEXCESA-N 495.457 3.717 50 1 JHGF Cc1ccc(OCc2cn(CCCOc3ccc(/C=N/NC(=O)c4ccncc4)cc3)nn2)cc1 169346150 SZTQUJIEGKZTHU-OGLMXYFKSA-N 470.533 3.794 50 1 JHGF Cc1cccc2c(CCNC(=O)[C@@H]3CCCN3C(=O)[C@H](C)CSSCCN(C)C)c[nH]c12 618017491 LIVICGAOOQYVNV-NQIIRXRSSA-N 476.712 3.705 50 1 JHGF CC(=O)Nc1ccc2c(c1)/C(=C(\C)NNC(=O)c1ccc(C(=O)O)cc1)C(=O)N2c1ccc(C)cc1 58590470 YHTRELSSQDBTON-JLPGSUDCSA-N 484.512 3.996 50 1 JHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1cccc(C)c1O 72139898 JICVXGDRYSULBV-OZMIJRPQSA-N 468.926 3.526 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 618018016 SCKQWCROOZYUQC-UHFFFAOYSA-N 494.510 3.670 50 1 JHGF CN(C)CCNc1nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c2cc1-c1ccccc1 71318071 OHFXRYKFUZBAAP-JFLMPSFJSA-N 461.595 3.621 50 1 JHGF N#CC1=C(N)OC(c2ccccn2)=C([S@@](=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857753748 OTZMSWYMYPXLDS-GOKJBEJGSA-N 489.469 3.882 50 1 JHGF O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 28332464 YJWTUFYVZFOAJE-MTDXEUNCSA-N 461.953 3.560 50 1 JHGF COc1cc2c(cc1OC)[C@@H]1[C@H](C2=O)c2ccc([N+](=O)[O-])cc2C(=O)N1CCCBr 35079990 NOFPBGDZYDLRCL-RTBURBONSA-N 475.295 3.874 50 1 JHGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962969349 DUPJFHJWLXFHSI-KSFYIVLOSA-N 469.315 3.999 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N 195375842 DYJGGZRLTCJHGG-QFHJOOASSA-N 481.742 3.986 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 587672522 GJHFNQXHJPERSA-XYZCENFISA-N 472.156 3.509 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CBr)(CS(=O)(=O)c1ccccc1)CC2=O 587489691 VNZVNWSKYBPOLL-HXUWFJFHSA-N 453.354 3.918 50 1 JHGF Cc1[nH]nc2c1[C@](c1cc(F)cc(N3CCC(CC(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772579615 LNTOYLXMWSSXMA-DEOSSOPVSA-N 453.518 3.577 50 1 JHGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(Cl)nn2)N1 962707772 YFOIFACYOHMKBY-XHDPSFHLSA-N 468.632 3.525 50 1 JHGF CC1(C)C[C@H](Cl)[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)ccc14 2356722584 KYMPMBARXJWTMI-DRVXKRDMSA-N 461.747 3.706 50 1 JHGF CCN(CC)c1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587667815 TZKOPWKVTSQHER-UHFFFAOYSA-N 493.608 3.976 50 1 JHGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 103019288 SUQGDEQDNJUIEA-KTBRYMIGSA-N 451.504 3.704 50 1 JHGF CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103214064 FAGWOTLXNMKDDC-LFVOPCPISA-N 486.527 3.845 50 1 JHGF CCOc1cccc2c1C(=O)c1c(OCC)cc(NC(=O)CI)cc1C2=O 206540246 KAKKQFWHQUGART-UHFFFAOYSA-N 479.270 3.633 50 1 JHGF O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)NNC(=O)c1ccccc1O 977069 ZBBDOANJFYXCEI-UHFFFAOYSA-N 493.976 3.770 50 1 JHGF O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCBr)c(F)c3)c2c2ccsc12 150185263 QRYMVHRIIQATTI-UHFFFAOYSA-N 497.367 3.928 50 1 JHGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543288 KBPSNPLSGUSUDW-SFYKDHMMSA-N 479.286 3.931 50 1 JHGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CO)O1 2356695593 NJNWEGFJCGYWQT-JQWWUKKISA-N 487.395 3.883 50 1 JHGF CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCCOC)OCCOC)SC 103222790 HNWQPOBQGLKGQW-CQGUWYRNSA-N 490.490 3.594 50 1 JHGF COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@@](c2ccc(N4CCOCC4)cc2)(C(F)(F)F)N3)cc1 621477878 SYWVXYOFTXOMCD-DEOSSOPVSA-N 496.493 3.929 50 1 JHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2ccncc2Cl)N1 962979493 SLSCWGIJEVBANE-WBMJQRKESA-N 452.082 3.904 50 1 JHGF O=C(CNC(=O)c1cccnc1Cl)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1857539859 QDIXWAYSMGDUJL-KKMKTNMSSA-N 457.317 3.848 50 1 JHGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 253756323 PGFABUSMKJULOA-WXLIAARGSA-N 457.394 3.960 50 1 JHGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc(Br)c1O 299858953 FHKBSNWMPSQGSF-BHGWPJFGSA-N 469.295 3.575 50 1 JHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)CC2=O 587496353 WKCOYGFYRQQLAN-HSZRJFAPSA-N 463.983 3.907 50 1 JHGF C[C@H]1C=CC(C#N)=C(Oc2nnc(SCC(=O)NC3CCCC3)n2CCCc2ccccc2)N1 1857591243 HWEDGRGKWOACCG-SFHVURJKSA-N 478.622 3.724 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Br)C1 587682092 MLDXWBRWTGMVJJ-JUKMUDQWSA-N 464.173 3.943 50 1 JHGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CBr)(c2cc(F)cc(Br)c2)N1 962896275 LVHRZHPICGZXGC-DOTOQJQBSA-N 461.100 3.965 50 1 JHGF C/C(=N/NC(=O)c1sc(=S)n(-c2ccccc2)c1N)c1ccc(N2CCOCC2)cc1 96927937 RTZJEGOZBVPCSQ-IWIPYMOSSA-N 453.593 3.841 50 1 JHGF NC(=O)c1cc([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)ccc1O 962996282 ONYUALSIWRHUSE-NRFANRHFSA-N 458.381 3.644 50 1 JHGF CCOC(=O)c1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618841 WSDDUFDLXCUMAW-UHFFFAOYSA-N 467.887 3.801 50 1 JHGF COc1cccc2c1[C@]1(N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)C(C=O)=CO2 963177548 OBUJFBXZTPAMGR-RBZFPXEDSA-N 453.800 3.685 50 1 JHGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@H]1O 2356860311 UDWHXJRDDKZCNF-ANCQCCSPSA-N 474.425 3.731 50 1 JHGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 95808681 NSGLERONMYUJSB-VXLYETTFSA-N 464.154 3.881 50 1 JHGF O=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)NNC(=O)Cc1ccccc1 299858912 FDDCJWKPGDRRCZ-UHFFFAOYSA-N 478.961 3.521 50 1 JHGF CCN=C(NNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)S[C@H](C)C(=O)OCC 1857747120 AUGLVZPCHUUQBV-MRXNPFEDSA-N 497.573 3.520 50 1 JHGF Cc1ccc(S(=O)(=O)C[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 45371152 PDNWKDZZKHGFBU-YNYZQSIGSA-N 464.543 3.507 50 1 JHGF Cc1cc2c(cc1O)[C@](CBr)(c1ccc(OC(F)(F)F)cc1)N[C@H](C(=O)O)C2 963529343 XCZSQQASJUXEQK-YJBOKZPZSA-N 460.246 3.837 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 299812566 MUQNGPZZQDCDFT-VJNAQKGUSA-N 454.966 3.889 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccnc3ccccc23)cc(OC)c1Br 84726733 VAJMNYFMYBAXAB-VWXZLZIGSA-N 458.312 3.852 50 1 JHGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4[C@@H](C)I)c2c1 238781591 UWVMXKAGINOCHU-BIXUVVFBSA-N 452.336 3.811 50 1 JHGF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CCCBr)C2=O)OCO4 26502245 RXOJDRYRMJQGTP-WOJBJXKFSA-N 474.307 3.695 50 1 JHGF O=C(N/N=C/c1ccc(Cl)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 1857644535 IRQCYRYDKBNENJ-AFUMVMLFSA-N 467.934 3.921 50 1 JHGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(O)c3)ccc21 1857754424 GKNNSIBJYVCFEP-HHHXNRCGSA-N 477.536 3.722 50 1 JHGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(Cl)c1)N[C@@H](CC1CCCCC1)B(O)O 195462312 QMIQWTSQZCNGIC-YADHBBJMSA-N 456.779 3.668 50 1 JHGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647768 YJNYOXLAJJILST-UZLBHIALSA-N 452.816 3.983 50 1 JHGF CO[C@@H]1C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@@H](C[C@H]2Br)[C@@H](OC(C)=O)C1 2356801262 QOBNGEOAQDBNHW-CFBDKLFDSA-N 480.193 3.651 50 1 JHGF COc1cccc(/C=C(\C#N)C(=O)NCCCCCNC(=O)/C(C#N)=C/c2cccc(OC)c2)c1 13676748 BGHOFKSYNOJVHT-HOFJZWJUSA-N 472.545 3.621 50 1 JHGF CSCC[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN 43010339 VQKSHCGACQWCPT-GUEZKQMUSA-N 452.624 3.544 50 1 JHGF NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@@H](F)[C@@H](Cl)C=C4)c3)ncnc12 166948422 RKZPJUYYKFXMLU-RBUKOAKNSA-N 451.889 3.721 50 1 JHGF NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@@H](F)[C@H](Cl)C=C4)c3)ncnc12 166948655 RKZPJUYYKFXMLU-RTBURBONSA-N 451.889 3.721 50 1 JHGF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)/C(=C/c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963528395 SFSPJOCNAZAYIF-LZYFDSDKSA-N 476.916 3.573 50 1 JHGF C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C 1857747981 OBNLKIYUNMSGTC-ZOTBZMMGSA-N 498.616 3.746 50 1 JHGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3O)ccc21 1857760339 IIFIKBRLGGIKBG-MHZLTWQESA-N 477.536 3.722 50 1 JHGF CCC[C@@H](C[C@H](CBr)OC(C)=O)OC(=O)C(Br)Br 2356795292 LTYROPIECNPDNS-DTWKUNHWSA-N 452.965 3.531 50 1 JHGF CN(CCCl)CCNc1ccc(NCCN(C)CCCl)c2c1C(=O)c1ccccc1C2=O 29489812 JWQGDHJFBTUKBF-UHFFFAOYSA-N 477.436 3.627 50 1 JHGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 253756313 PGFABUSMKJULOA-WIDHOSKQSA-N 457.394 3.960 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2N1 587545916 SVPVWVQQDPMZCR-WDJPJFJCSA-N 454.910 3.547 50 1 JHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)[C@]1(C)CS(=O)(=O)ON 962942550 FTUKENZNDUZHAN-QRQIRIDESA-N 496.471 3.707 50 1 JHGF CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C 194905498 KMFPKVCQFYEQTF-TVKQPGBESA-N 495.787 3.669 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587840398 KUHOFLYHZRAWBT-FKIZINRSSA-N 487.822 3.927 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3S(C)(=O)=O)N1 587839913 JFHDOKDKTUBWSD-ODXCJYRJSA-N 487.822 3.927 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138233 HVVHCMOTTZOPQX-QTCYRWPVSA-N 488.006 3.833 50 1 JHGF COc1ccc2c(c1OC)[C@@](CBr)([C@H]1CCOC1)N(C(=O)c1ccccc1N)CC2 963144915 VWPXKHNJNDZURY-QMHKHESXSA-N 475.383 3.611 50 1 JHGF CC(=O)O[C@@H]1[C@H](CCl)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O 38142686 FSUCSZKGFXRWKL-YJNKXOJESA-N 456.109 3.996 50 1 JHGF COc1c(O)ccc(/C=N/NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)c1[N+](=O)[O-] 103299253 PLMHTPGYPUVLOP-RPPGKUMJSA-N 475.457 3.878 50 1 JHGF CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CC(=O)OC3=O)[C@]12C 299847317 NIUXXERXOMLMMY-DXLZGUMWSA-N 484.589 3.539 50 1 JHGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc3c(c1)OCO3)NCC21CCOCC1 963188714 KWTLIABAIWFAMK-HSZRJFAPSA-N 476.367 3.722 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 587614878 VMPWUFAOZZFWBP-RCZVLFRGSA-N 499.972 3.951 50 1 JHGF O=C(NNc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1)c1ccc(Cl)cc1 1772622163 NPFLVFLEKVHWQE-UHFFFAOYSA-N 456.893 3.982 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl 199891309 KCWGODQZLSGRLG-ZWKOTPCHSA-N 462.293 3.889 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCCN1C(=O)c3ccccc3C1=O)O2 587371496 FBKVIHPGQFZCGS-JOCHJYFZSA-N 457.324 3.753 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841131 PVJLVQMAFNXQQW-ZUOKHONESA-N 489.838 3.697 50 1 JHGF CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@@](=O)(F)OC)nn3)cc2c1 49761894 YWNRULVIKPDTBL-UMSFTDKQSA-N 493.476 3.750 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1cccc(Cl)c1 199891218 QSFKOWYCUOLQQQ-ROUUACIJSA-N 462.293 3.889 50 1 JHGF COc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)Br 28954491 FMSAPLQSZMFMOR-NSHDSACASA-N 467.316 3.695 50 1 JHGF O=C(CCl)Nc1sc2c(c1Cc1nnc(S)n1NC(=O)c1ccccc1)CCCC2 72174937 MXABJFXBEHROMU-UHFFFAOYSA-N 462.000 3.659 50 1 JHGF CCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)CCC)c1ccc([N+](=O)[O-])cc1 1857629231 AYSPOJPQHXZSFF-RHSMWYFYSA-N 463.314 3.611 50 1 JHGF COc1ccc(C(=O)Nc2cccc([C@H](C)NC3=NC=N[C@@H]4C(C(N)=O)=C[C@@H](Cl)C=C34)c2)cc1F 169700736 VVSYBPIXJIERDK-JWCWZOIMSA-N 495.942 3.505 50 1 JHGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963026744 KDBHCNJTUYVFOM-HMFCALDFSA-N 454.368 3.652 50 1 JHGF CCCCOc1cc(B(O)O)cc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961781371 XKGMXAKTHVCXNK-RUZDIDTESA-N 480.414 3.786 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2cccc(O)c2)c2ncccc2c1 1772611022 BYACXROQRDESQJ-OAHLLOKOSA-N 452.515 3.566 50 1 JHGF COC(=O)CCCC#CC#C[C@H](Br)[C@H](O)CCCCC#CC=CBr 2356387851 JJSKWMHHQMBMHV-ZWKOTPCHSA-N 458.190 3.933 50 1 JHGF C/C(=N/NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 1021350 LBEGYEZODWZOCK-FPJJECCMSA-N 459.300 3.502 50 3 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587841928 SMYQXPJUAUESED-ZMZPIMSZSA-N 461.784 3.976 50 1 JHGF CCOc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 1857629736 VASAPHUPCKZKTH-WGOQTCKBSA-N 477.542 3.667 50 1 JHGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCCCBr)c1ccccc12 98082240 JVTAAAJPZUCLIR-DEOSSOPVSA-N 492.329 3.687 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4ccc(O)cc4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857601797 AXSCMUVOWLXWAS-NHABRULGSA-N 457.527 3.698 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 72180617 QCTMFPZPZPCXRZ-ZJUZSDNKSA-N 452.975 3.921 50 1 JHGF Nc1c([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)nc(=O)n1C1CC1 963832359 ORNBVVFXFIRDAK-SANMLTNESA-N 491.979 3.554 50 1 JHGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCC#N)C(=O)CCl 40455019 LVXPBEZHZZIQHO-SOMXGXJRSA-N 491.987 3.997 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)CC2=O 587482383 CSOIQPZBWSBSAV-QFIPXVFZSA-N 451.972 3.536 50 1 JHGF COc1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962973211 JOSTUJXVKZMRAQ-BFUOFWGJSA-N 476.701 3.873 50 1 JHGF O=C(CCl)Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 29046524 WMOZWENEBSQTRU-DEOSSOPVSA-N 499.905 3.762 50 1 JHGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 95808896 RNGJTVSBDGMOQZ-WSDLNYQXSA-N 493.314 3.808 50 1 JHGF O=C(N/N=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1cncc(Br)c1 33326702 ZQKDKPUKDQWJIB-OPVMPGTRSA-N 468.263 3.556 50 1 JHGF O=C(N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)c2ccccc12)[C@@H]1COc2ccccc2O1 169689475 KIPUJNJHRICKHG-IQFHQVDXSA-N 475.888 3.640 50 1 JHGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)[C@@H](C2)C3=O 587418756 AWTGUKDYAHHLJE-FNZWTVRRSA-N 463.917 3.947 50 1 JHGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1cc2cc(Br)ccc2nc1Cl)c1ccncc1 1772623734 UIKWRTCLCKVQJJ-CABCVRRESA-N 466.122 3.881 50 1 JHGF COc1c(Cl)cc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1Cl 618009519 DYBCEESMAWGPGC-AWEZNQCLSA-N 494.510 3.913 50 1 JHGF COc1cc(C(=O)NNC2=C[C@@]3(CCC2)NCCc2cc(C)c(F)cc23)cc(OC)c1OC 962148713 ULGOOAOBFPYIJF-RUZDIDTESA-N 455.530 3.503 50 1 JHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)NN4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4O)c[nH]c3c12 103214630 VNHWCCRONWAZTC-ICSRJNTNSA-N 483.311 3.579 50 1 JHGF O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21 1772606223 UXPURPRPVSKBPC-UHFFFAOYSA-N 451.241 3.856 50 1 JHGF CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100764064 HZPSEPBQAOPUBH-UUZBPDLYSA-N 466.494 3.640 50 1 JHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(N1)c1ccccc1OC[C@@H]2Br 962641629 YAWAPKWCAJEBSP-QILLFSRXSA-N 458.230 3.584 50 1 JHGF CO[C@]12C=C[C@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 100660498 OUKDLWAAMCMZEI-DIJXJKCHSA-N 450.604 3.884 50 1 JHGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962630289 IEJGBJXTEOPKIN-AOIWGVFYSA-N 472.257 3.756 50 1 JHGF C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@H](C(C)(C)NC(=O)CBr)C1 4475094 RTYBGDQNUBLFSW-DCLXLUIPSA-N 481.475 3.983 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)O2 587410361 REZUBBOQBRBUQP-HSZRJFAPSA-N 473.982 3.732 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587674187 UJDXTUQJKLTUSP-DYBLOJMWSA-N 472.152 3.565 50 1 JHGF CCOP(=O)(OCC)[C@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1 1857573880 DAFNBWQXWQSQGM-IBGZPJMESA-N 477.483 3.809 50 1 JHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CC[C@](C)(C=C[C@@H]3OC(=O)C=C3C)OO)[C@](C)(O)C[C@@H](O)[C@H]21 2356410930 FWUBFQSZJNVEKR-JGCRAHMVSA-N 480.598 3.560 50 1 JHGF C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C 40974976 LGDYOAVRXJYRRK-HJXYWPHLSA-N 485.017 3.605 50 1 JHGF CO[P@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1 49762600 AWXFQBALFFHPIR-HKBQPEDESA-N 483.506 3.565 50 1 JHGF CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/C#N)[C@H]2SC1 13765883 AOPBSHJSTFMTHH-WCNLKWBDSA-N 460.511 3.501 50 1 JHGF O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(Br)c(Br)[nH]1 261123586 JXKLBUICVOFNOR-UHFFFAOYSA-N 452.559 3.825 50 1 JHGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)CBr)[C@@H]1c1ccc(F)cc1 587322629 NQSNANPVXPWTFX-AEFFLSMTSA-N 472.104 3.988 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 618009838 LHNSUOMHPGMAIB-AWEZNQCLSA-N 464.484 3.905 50 1 JHGF CNC(=O)c1cc([C@@]2(CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cn1C 963905116 WDCKJSWJSLZHSM-CJAUYULYSA-N 490.000 3.812 50 1 JHGF C[C@@H]1N[C@H](C(=O)NNC(=O)CCCNc2ccnc3cc(Cl)ccc23)Cc2c1[nH]c1ccccc21 1911580971 WCZXATHLHWXOEN-WNSKOXEYSA-N 490.995 3.985 50 1 JHGF CC[C@H]1[C@H]2[C@H]3O[C@@H](C=C=CBr)C[C@H]3O[C@@]2(O)[C@@H](Br)C[C@H]1Br 2356618931 OUMZHLOKCPXJMJ-HLALWIANSA-N 487.026 3.868 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587839742 ICAWJAPOAWQVPY-ZMZPIMSZSA-N 495.867 3.758 50 1 JHGF COc1ccc(Oc2c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)c(C)nn2-c2ccccc2)cc1 1857602027 JHYFEJRGGVYJNM-LGJNPRDNSA-N 489.492 3.545 50 1 JHGF COc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](C)Br 28954489 FMSAPLQSZMFMOR-LLVKDONJSA-N 467.316 3.695 50 1 JHGF CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@H](C=NNC(=O)Cc3ccc(F)cc3)C2=O)cc1 1857580108 JIVRKNAPTDJJBG-HSZRJFAPSA-N 487.487 3.618 50 1 JHGF CCC(=O)N[C@H](C[C@H](C)C(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@@H](C)C(Cl)Cl 2356383157 BWRBCPLQKLOCKU-QCNOEVLYSA-N 476.228 3.809 50 1 JHGF C[C@H](CCC(=O)N/N=C/c1ccc[nH]1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 49853389 AFWJZHXJHAEETQ-ZXIDDYGHSA-N 499.696 3.843 50 1 JHGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 618007677 DYUMLKYMVHKDIX-OAHLLOKOSA-N 478.511 3.834 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962627509 GLQBPKJJUBYQJU-QMTMVMCOSA-N 464.868 3.628 50 1 JHGF CC(C)[C@@H]1C=C[C@H](O)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr 44387513 WQVRLEHPQYWZGE-VHXYLUBJSA-N 480.281 3.882 50 1 JHGF COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC 96934083 PLIFESHMGLHTDZ-RLBLXZPPSA-N 455.419 3.715 50 1 JHGF NCCS(=O)(=O)CCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 137713840 WDWHTIUQNCGPPC-UHFFFAOYSA-N 491.650 3.924 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NS(C)(=O)=O)cc2)N1 587840474 LKWWOAJTVCKCSR-ADLMAVQZSA-N 461.784 3.976 50 1 JHGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(N)=O 587329985 ZDJOVVMVVOIARM-LADGPHEKSA-N 456.901 3.928 50 1 JHGF O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)N=C[C@@H]2Cl)c1ccc(-n2ccccc2=O)cc1 100070616 FMRBJGZPJCJNLN-FDFHNCONSA-N 474.948 3.914 50 1 JHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(OC(C)=O)c2c1 587618407 PJKVMCAFWINBFB-UHFFFAOYSA-N 453.860 3.550 50 1 JHGF COc1cc2c(cc1OC)[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)N(C)[C@H](C)C2 962568812 LIPZYPQGIVRFNL-GIWSNZPPSA-N 455.393 3.790 50 1 JHGF N#CC1=C(NC(=O)c2ccccc2O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 102075896 LPRPHULGCMRTTA-UPVQGACJSA-N 471.561 3.816 50 1 JHGF COc1ccc2c(c1)[C@](c1cnn(C)c1C)([C@H](Cl)C(=O)c1cnn(C)c1C)N(C(C)C)CC2 962094945 URLPRCDIBOJRKQ-RPBOFIJWSA-N 470.017 3.779 50 1 JHGF CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)C=C[C@H](C)[C@H](O)[C@H](C)CC=C[C@H]3[C@@H]1OO 2356780551 YZMKUCUMIIGSIT-JNGYWMRZSA-N 465.590 3.873 50 1 JHGF COc1ccc([C@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(OC)c1 962640121 NMWYCAIAEWMHRM-ZEQRLZLVSA-N 485.378 3.989 50 1 JHGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 963557535 XPKMJKUCHMASAS-ZDLDCBDASA-N 490.943 3.702 50 1 JHGF CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@@]21C 2356745386 VZKVPNVMKJHQHX-HPTAFZNQSA-N 488.577 3.689 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2cccs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504815533 HXBCXXIMAVRSRY-RHRVOKPRSA-N 479.595 3.896 50 1 JHGF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587674188 UJDXTUQJKLTUSP-LZVRBXCZSA-N 472.152 3.565 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 26390402 OUKDLWAAMCMZEI-MWJCNPDSSA-N 450.604 3.884 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23c2ccsc2CCN3Cc2ccco2)[C@@H]1c1ccncc1 962702594 FJYYFLQTUQSEFJ-ATIYNZHBSA-N 486.553 3.616 50 1 JHGF Nc1c([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)nc(=O)n1C1CC1 963832358 ORNBVVFXFIRDAK-AREMUKBSSA-N 491.979 3.554 50 1 JHGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545643 RYYLCVHCELSLRS-DHTSOJEISA-N 462.889 3.788 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 253665670 QCTMFPZPZPCXRZ-ZVIPENHESA-N 452.975 3.921 50 1 JHGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 587323731 SRSLQMSBCOJOCU-IFMALSPDSA-N 486.297 3.929 50 1 JHGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 1772645222 HNLFZGRMBXILJO-VYIQYICTSA-N 474.502 3.887 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)CI)cc1)O2 587387620 VKXFUVCTHAJCRU-IBGZPJMESA-N 450.276 3.831 50 1 JHGF CC1(C)OC2=C(C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)[C@H]1n1cc(-c2ccccc2)nn1 1857577247 RWJICMCCKGBITN-JMUMNXGYSA-N 490.523 3.818 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 58666056 OUKDLWAAMCMZEI-RJZKAMRNSA-N 450.604 3.884 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](Br)[C@H](O)C#C/C=C/Br 238787424 YBWFHQWNVOJUCX-AENFJUBXSA-N 458.190 3.933 50 1 JHGF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/CBr)nc1-2 586973642 MMQOEQAJGYXHDN-FPYGCLRLSA-N 479.317 3.894 50 1 JHGF CO[C@@H]1C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@@H](C[C@@H]2Br)[C@H](OC(C)=O)C1 2356801263 QOBNGEOAQDBNHW-DYKLPSNISA-N 480.193 3.651 50 1 JHGF Cc1cn([C@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171183 JIMNASJSRXLXKJ-NHCUHLMSSA-N 488.657 3.761 50 1 JHGF COc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1OC 48999697 KXRXUHCMOCRQMD-UHFFFAOYSA-N 458.518 3.552 50 1 JHGF CC(C)CN(NC(=O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)c1ccnc(C#N)n1 169352984 KQKQJKHJFHZXJD-UHFFFAOYSA-N 497.596 3.791 50 1 JHGF C[C@H](S[C@H](C)C(=O)NN=Cc1c[nH]c2ccccc12)C(=O)NN=Cc1c[nH]c2ccccc12 263609902 VOZVLRIHFOWAOG-IYBDPMFKSA-N 460.563 3.760 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)O2 587410362 REZUBBOQBRBUQP-QHCPKHFHSA-N 473.982 3.732 50 1 JHGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](C)(C)CCCCl 194868238 LKFBKMRIVDBNNI-VWLOTQADSA-N 483.040 3.624 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1NC(=O)CCl)OCCO2 587886227 LYLBGUSMHHREFG-UHFFFAOYSA-N 467.736 3.652 50 1 JHGF Cc1ccc([C@@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)s1 963663256 ABWKIIDCOUXYKM-STWLZBDKSA-N 485.005 3.652 50 1 JHGF O=C(COc1c(Br)cc(Br)c2cccnc12)NNC(=O)Nc1ccccc1 96910075 AXMWCZWKGPDNDY-UHFFFAOYSA-N 494.143 3.992 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)CBr)N1 587673955 RXEMKAYWPXMFDS-UHLUBPPHSA-N 457.963 3.677 50 1 JHGF COC[C@@H]1O[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](OC)[C@@H]1OC 254224427 OZEWPNYDUHPUBQ-NFGXINMFSA-N 451.523 3.772 50 1 JHGF O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 29560517 AGDLSQLJPDLHNV-MRXNPFEDSA-N 468.341 3.517 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CN1C(=O)c2ccccc2C1=O 587539198 UURZSWNVCHNRKO-NTKDMRAZSA-N 494.297 3.784 50 1 JHGF O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccc(O)c(O)c1 73140008 CIZGCQNHCJHHEP-LUOAPIJWSA-N 470.510 3.840 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534189 XPHRNIPXAXBNFO-NRFANRHFSA-N 454.013 3.818 50 1 JHGF COc1ccc2c(c1OC)[C@@](CBr)([C@@H]1CCOC1)N(C(=O)c1ccccc1N)CC2 963144920 VWPXKHNJNDZURY-WAIKUNEKSA-N 475.383 3.611 50 1 JHGF COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c(OCc2ccccc2Cl)c1 1857585471 UMJUARJGFLOGDB-XODNFHPESA-N 469.900 3.947 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)c2ncccc2c1 1857633631 GZQUEQNNNPUORT-VMSUTVGLSA-N 491.548 3.597 50 1 JHGF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765504 ZYWYJDJKKOTRQU-DCGNSMTJSA-N 464.522 3.666 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 101617896 OUKDLWAAMCMZEI-WCSOUAOJSA-N 450.604 3.884 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587673329 MBHSUOTYOIDLHA-XLFHBGCDSA-N 476.140 3.926 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2cccc(Cl)c2Cl)CC1 618008405 FRXYIVGORWVHFI-UHFFFAOYSA-N 494.510 3.670 50 1 JHGF COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@](c2ccc(N4CCOCC4)cc2)(C(F)(F)F)N3)cc1 621477879 SYWVXYOFTXOMCD-XMMPIXPASA-N 496.493 3.929 50 1 JHGF C[C@]12CC[C@H](NC(=O)CCl)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 1857573263 AASZGOHWDFWGNU-JMVRGBSFSA-N 450.019 3.967 50 1 JHGF CC1=C(C)[C@H](OO)[C@H]2/C=C/C[C@@H](C)[C@H](O)[C@H](C)/C=C/C(=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 238766513 YZMKUCUMIIGSIT-BPPJWCPBSA-N 465.590 3.873 50 1 JHGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccccc2)CC1 618016713 AOUBDKMNGPTFHO-KNQAVFIVSA-N 479.712 3.627 50 1 JHGF CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2cccc(F)c2F)ccc1O 621485757 JRQHEYWSPMCAHT-UHFFFAOYSA-N 483.606 3.517 50 1 JHGF CC[C@H](C)C=CCCCCC=CC=CC=CC(=O)N[C@@H]1CO[C@]2(O)C=C[C@H](Cl)[C@@H](O)[C@@]2(O)C1 2356718740 FQBWNVBDQZRLFD-SQRMQMBQSA-N 480.045 3.681 50 1 JHGF O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 2356732466 RAQQAYSKOLXPNE-BKXWLNCVSA-N 495.576 3.863 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2cccc(N3CCCC3)c2)cc(OC)c1Br 84703565 NSMPJMMMVFWCLW-JHXRPTDYSA-N 476.371 3.904 50 1 JHGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3N)ccc21 1857754518 MEJYJNPWPOLTPU-HHHXNRCGSA-N 476.552 3.598 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 101617901 OUKDLWAAMCMZEI-NWPCRNTKSA-N 450.604 3.884 50 1 JHGF COc1ccc2nccc([C@H](O)[C@@H]3C[C@H]4CCN3C[C@H]4[C@H](C)I)c2c1 2356524198 UWVMXKAGINOCHU-DAIXNMQDSA-N 452.336 3.811 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2N1 587545917 SVPVWVQQDPMZCR-WUMKDDEVSA-N 454.910 3.547 50 1 JHGF O=C(CNC(=O)c1cccnc1Cl)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1857559780 BTWLIWWHGMPACJ-KKMKTNMSSA-N 457.317 3.848 50 1 JHGF CC/C(Br)=C/C=C/[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 225653210 UTNSPXWSOISNAK-ZEDNONATSA-N 487.026 3.938 50 1 JHGF Cc1ccc(-n2nc(C)c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)c2Oc2ccc(F)cc2)cc1 1857599336 CCDXYEFFZBTMPN-KKMKTNMSSA-N 491.483 3.984 50 1 JHGF CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 2356344073 YNNURTVKPVJVEI-UWYAYLEVSA-N 455.378 3.736 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 299804748 WWDZEXIJJNQHFV-NQMULQNMSA-N 452.950 3.665 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2N1 587684715 LTXYEFBENYZTTP-JJFKOLPGSA-N 456.787 3.772 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587840717 MRHOWODOQUENEX-VOJFVSQTSA-N 495.867 3.758 50 1 JHGF C[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](N)[C@@H]1O 43470208 YKMLLJFPFAASLT-UZZPKDHQSA-N 455.470 3.735 50 1 JHGF Cn1c([N+](=O)[O-])cnc1COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl 14279241 VAQNBGFTRJCIAZ-UHFFFAOYSA-N 485.136 3.512 50 1 JHGF CC1(C)[C@@H]([C@@H](Br)C(Br)(Br)Br)[C@H]1C(=O)O 39321316 VSBCUTLTLUSECJ-MROZADKFSA-N 457.782 3.945 50 1 JHGF in-vitro COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 45339149 BAIAJKCTBNBHFB-WGLQLPMYSA-N 451.910 3.546 50 1 JHGF C#C[C@@H](Br)[C@H]1C[C@H]2O[C@]3(C[C@H]2O1)O[C@H]([C@H](Br)CC)C[C@@H]3Br 145319335 ZDAHHEMGBUAIGE-OTLHJRDOSA-N 487.026 3.752 50 1 JHGF C=CCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 45321371 XLAXMGXLFFMTSA-DHIUTWEWSA-N 452.459 3.514 50 1 JHGF COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC 96934084 PLIFESHMGLHTDZ-SKWRMQMOSA-N 455.419 3.715 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587674189 UJDXTUQJKLTUSP-NIVTXAMTSA-N 472.152 3.565 50 1 JHGF CC(C)(C)OC(=O)/C(C#N)=C1\C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 587890754 CEKLLPGIANVBIQ-CZIZESTLSA-N 458.345 3.818 50 1 JHGF CC[C@H](C(=O)c1ccc(CS(=O)(=O)O)cc1)N1CCC(O)([C@@H]2C=C(Cl)S[C@H]2Cl)CC1 2356738453 PDSZZDJAEOPYMI-GPMSIDNRSA-N 494.462 3.871 50 1 JHGF COc1ccccc1N1CCN(C(=O)CN(/N=C/c2cccc(Cl)c2)C(=O)c2ccncc2)CC1 28334580 WTPSOSXPZSEINO-RDRPBHBLSA-N 491.979 3.569 50 1 JHGF CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O 149796159 SSLAZDHKHSZJAX-IPPBACCNSA-N 480.506 3.771 50 1 JHGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=O)Nc1ccccc1 28230537 DXUDGBRNJGXNFE-UHFFFAOYSA-N 461.353 3.663 50 1 JHGF COc1cc(NC(=O)c2cc(NC(=O)[C@@H](C)Br)ccc2F)cc(OC)c1OC 28954529 YOIOKXRYMCRWLS-SNVBAGLBSA-N 455.280 3.826 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587539201 UWHYKVXHUNRRMC-DYESRHJHSA-N 474.263 3.809 50 1 JHGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1 299863224 OXTGRPULCHZRRB-CVKSISIWSA-N 475.346 3.900 50 1 JHGF O=C(NN=Cc1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 585656429 GPGJEJUNCOOXHD-IUHILOBXSA-N 474.529 3.521 50 1 JHGF biogenic CN(CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)CCl 587886035 JBEJVMGKAMVXPT-UHFFFAOYSA-N 467.780 3.780 50 1 JHGF CN1CCN(c2ccc(Nc3ncc(Cl)c(=Nc4ccccc4NC(=O)CCl)[nH]3)cc2)CC1 1857751772 WBZOCZRWPUJYKP-UHFFFAOYSA-N 486.407 3.968 50 1 JHGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1nc[nH]n1 963174143 AXHKZEVASDSJRI-AUUYWEPGSA-N 488.297 3.966 50 1 JHGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)cccc2-3)cc1 3942136 OSCCTZDFBLPFFT-UHFFFAOYSA-N 498.455 3.671 50 1 JHGF COC(=O)Cc1ccc([C@@]2(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)s1 962656685 AZXYRCLTAGVWCR-DHIUTWEWSA-N 458.967 3.593 50 1 JHGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2ccncc2Cl)N1 962979492 SLSCWGIJEVBANE-MLGOLLRUSA-N 452.082 3.904 50 1 JHGF CCOC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C(=O)OC(C)(C)C 1857772549 VYVKWICQZFACAS-HXUWFJFHSA-N 451.401 3.874 50 1 JHGF O=C(N/N=C/c1cccn1CCN1CCOCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857773661 MFZVRFSTRNPNBQ-STBIYBPSSA-N 491.527 3.735 50 1 JHGF Cc1csc(C(=O)NNC(=O)CN[C@@H]2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 28385103 DASMXTQNHXWBJG-HSZRJFAPSA-N 476.646 3.704 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 253665656 QCTMFPZPZPCXRZ-ACPPDUFVSA-N 452.975 3.921 50 1 JHGF O=C(NN=Cc1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 585656428 GPGJEJUNCOOXHD-AIDNLNPPSA-N 474.529 3.521 50 1 JHGF biogenic C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@H](CC(=C)C=O)O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O 2356646570 HINDCSLBLBWIIV-CLBQLSOISA-N 490.637 3.566 50 1 JHGF COc1cc2c3c(c1)O[C@@](CBr)(CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587415776 XHBVFFGNHCYJLS-GAJHUEQPSA-N 470.319 3.653 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CS(=O)(=O)c1ccccc1 587611172 ZLZIZKIIMQYWJC-DENIHFKCSA-N 489.343 3.961 50 1 JHGF O=C(N/N=C/c1cccc(Br)c1)c1ccc(Cn2cc(Br)cn2)o1 1002199 XWEBCWAZGLYOIK-FBCYGCLPSA-N 452.106 3.813 50 3 JHGF COc1cc2c(c(OC)c1OC)N[C@@H](C(=O)N1C[C@H](CCl)c3c1cc(O)c1ncccc31)C2 55652224 PGHAETMEBBAZNN-DZGCQCFKSA-N 469.925 3.672 50 1 JHGF CC1(C)C[C@@H](Cl)[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1cc(Br)ccc14 238747403 KYMPMBARXJWTMI-ANFIAMTQSA-N 461.747 3.706 50 1 JHGF CS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587606048 GAUMHIDWIUQWOB-URXFXBBRSA-N 485.945 3.810 50 1 JHGF CC(=O)O[C@@H]1CCCN(Cc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)C1 1857748888 AMXJRFQHXMNGDU-HLQTZPMBSA-N 458.356 3.741 50 1 JHGF Cc1ccc(CSc2nnc(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)s2)cc1 15986513 DLINWODEDCCBKT-YVNNLAQVSA-N 488.616 3.845 50 1 JHGF Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587542091 FQGAABOUTHRNBP-HYBUGGRVSA-N 450.878 3.679 50 1 JHGF CCOCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1 103278006 CHGVVBNDUVZCNT-VKAVYKQESA-N 465.959 3.851 50 1 JHGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1)B(O)O 195464916 FEOICZCVVXIGEI-GOTSBHOMSA-N 466.774 3.897 50 1 JHGF CC1=C([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 963095540 COKQCUSDVVPOIU-FBYAJWIBSA-N 456.521 3.950 50 1 JHGF CC(=O)O[C@H]1[C@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O 27874270 FSUCSZKGFXRWKL-BYNSBNAKSA-N 456.109 3.996 50 1 JHGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 72123572 JTPLEUUEJMMMAK-QFIPXVFZSA-N 466.497 3.704 50 1 JHGF N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586940300 MKRNVXZLRSZVMF-UHFFFAOYSA-N 495.455 3.687 50 1 JHGF COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 25967532 UMXBZAMCPMNXFT-GOSISDBHSA-N 465.377 3.535 50 1 JHGF COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)c3cc4c(cc3N2)OCO4)c1 13779255 DQCYPSWFLGWNBO-ZNKVGILJSA-N 486.528 3.679 50 1 JHGF COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccc([N+](=O)[O-])cc2)O4)cc1OC 96934081 PLIFESHMGLHTDZ-JVSAHFFESA-N 455.419 3.715 50 1 JHGF CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C 194905510 KMFPKVCQFYEQTF-PFRQMTDMSA-N 495.787 3.669 50 1 JHGF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)NCC2 962918361 IJKCPFINHHOEFT-VWLOTQADSA-N 452.986 3.542 50 1 JHGF Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C(=O)c2cccc(Cl)c2)c1 103253558 SBZQICAKGSOXSX-UHFFFAOYSA-N 490.899 3.826 50 1 JHGF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(=O)NN)cc2[nH]1 586996468 OGHSNOMTMJCADT-MRXNPFEDSA-N 488.386 3.607 50 1 JHGF O=C1C(Br)=CC(=CNNC(=O)c2cccc(C(F)(F)F)c2)C=C1Br 13122733 CXZPNVKPJBUNAQ-UHFFFAOYSA-N 466.051 3.964 50 3 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 618009419 XTBMQBQDIUQZAR-HNNXBMFYSA-N 494.510 3.670 50 1 JHGF O=C(N/N=C/c1cccn1CCN1CCOCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857655362 AIQZSYCOYCVNJC-MTDXEUNCSA-N 473.537 3.596 50 1 JHGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cncs1 170101011 KWEAONYBPFXGPU-FQEVSTJZSA-N 451.357 3.580 50 1 JHGF Cc1cn([C@H]2C[C@H](COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195500396 RLOKZRNNBSSAFD-NHCUHLMSSA-N 475.662 3.588 50 1 JHGF C/C=C(\C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl 1911575295 LDXGVWMPOIOESR-DONKYKGPSA-N 469.018 3.923 50 1 JHGF COc1ccc(S/C(N)=C(C#N)/C(C#N)=C(\N)Sc2ccc(OC)c(OC)c2)cc1OC 40631621 MTFMTGSETDNJLV-YHARCJFQSA-N 470.576 3.993 50 1 JHGF CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3ccccc3)cc2F)ccn1 169345154 VUZGCTWESWLKJB-LQKURTRISA-N 488.527 3.989 50 1 JHGF CCOC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587539209 UWHYKVXHUNRRMC-UTKZUKDTSA-N 474.263 3.809 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cc(C)ccc12 1857548508 AYSVGOCADYAHSK-OAQYLSRUSA-N 456.531 3.543 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2N1 587545915 SVPVWVQQDPMZCR-VEXUSMLFSA-N 454.910 3.547 50 1 JHGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 253638468 OZTPEXGZPRICIF-SHTZXODSSA-N 477.633 3.509 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 587673402 MOYWWZHMTVYBQP-BTDLBPIBSA-N 450.190 3.875 50 1 JHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]2N1 587684720 LTXYEFBENYZTTP-WWGWPZPMSA-N 456.787 3.772 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198848 ANJHMDUQQGXSIT-FEKZFTHKSA-N 464.555 3.837 50 1 JHGF COc1cc(NC(=O)c2cc(NC(=O)[C@H](C)Br)ccc2F)cc(OC)c1OC 28954532 YOIOKXRYMCRWLS-JTQLQIEISA-N 455.280 3.826 50 1 JHGF COc1ccc(Oc2nc3ccc(C)cc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 169307239 ZLGNBZXKRMZDCF-RPPGKUMJSA-N 474.477 3.908 50 1 JHGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009826 VEXSFRIMIMMKLM-NRFANRHFSA-N 488.013 3.714 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669961 HJHLLXLEPIXIJR-PEECDGGASA-N 499.174 3.872 50 1 JHGF CC[C@@H](C)/C=C/CCCC/C=C/C=C/C=C/C(=O)N[C@@H]1CO[C@@]2(O)C=C[C@@H](Cl)[C@H](O)[C@@]2(O)C1 653794070 FQBWNVBDQZRLFD-PSUCEUSWSA-N 480.045 3.681 50 1 JHGF CC(C)CN(NC(=O)c1cncc(-c2ccccc2)c1)c1nc(C#N)ncc1Br 58592516 KLMYYNHAEAUPSF-UHFFFAOYSA-N 451.328 3.980 50 1 JHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(O)c4)cc3)o2)c(OC)c1 473247242 CERYJTKUVRSOBB-DHRITJCHSA-N 460.446 3.596 50 1 JHGF CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606893 JEDDJJPPQLSVLQ-OFNKIYASSA-N 467.524 3.867 50 1 JHGF Cc1cn([C@H]2C[C@H](Cc3ccc(O)c(O)c3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1772653608 GTBQPZIWPFRVEF-PWIZWCRZSA-N 462.619 3.837 50 1 JHGF COC(=O)[C@H]1CCCC[C@@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28343737 CCWMWRRLZHZSIW-DWLFOUALSA-N 478.618 3.864 50 1 JHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(F)cnc(Br)c2[nH]1 587009746 QHQSWGVJXQBBDL-ZDUSSCGKSA-N 450.699 3.980 50 1 JHGF C/C(=N/NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccoc2C)cc1 13108579 OQBDOAZKOJBAOB-KSEXSDGBSA-N 458.316 3.799 50 1 JHGF NNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1 14978426 OMNXIFNMZCZTDR-UHFFFAOYSA-N 474.542 3.706 50 1 JHGF COc1ccc(N2C(=O)c3ccccc3[C@H](C=NNC(=O)c3ccc(C)cc3)C2=O)cc1OC 1857580074 YBMSTDLIYPNCFF-NRFANRHFSA-N 457.486 3.699 50 1 JHGF CC1=C(C=O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857644653 UUOHYKQIMQCWTJ-TTWUVOALSA-N 466.574 3.768 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCc2ccccc2)c2ncccc2c1 1857749175 FARNVZYCSIPEAX-GOSISDBHSA-N 464.570 3.580 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCc2ccccc2)c2ncccc2c1 1857749176 FARNVZYCSIPEAX-SFHVURJKSA-N 464.570 3.580 50 1 JHGF N/C(=N\O)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 29324917 CDNXXXVILORSOE-UHFFFAOYSA-N 495.605 3.626 50 1 JHGF COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c([N+](=O)[O-])cc1OC 95809367 LBEWQLHETHVZHW-BUVRLJJBSA-N 472.498 3.747 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 587373847 TXEDPFOBEGBOGL-ADSSSQCUSA-N 481.184 3.519 50 1 JHGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CCC#N)C(=O)CCl 299804856 LVXPBEZHZZIQHO-OCTBHDBUSA-N 491.987 3.997 50 1 JHGF COC(=O)[C@@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587618867 XRWLWVQCCSMNAX-INIZCTEOSA-N 467.887 3.647 50 1 JHGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)NC[C@H]2CC(=O)N(C)c3cccc1c32 963026752 KDBHCNJTUYVFOM-WXQIDZRNSA-N 454.368 3.652 50 1 JHGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccnc3ccccc23)cc(OC)c1Br 84726729 VAJMNYFMYBAXAB-BLTFUYFMSA-N 458.312 3.852 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2ccccc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504643107 JOCSYNPDAMGNJA-OZHWUXDESA-N 487.593 3.877 50 1 JHGF biogenic COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(NC(=O)[C@@H](C)Cl)c2c1 587617288 CTTPGXGZSAONRQ-SNVBAGLBSA-N 466.903 3.760 50 1 JHGF Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 102082623 IBCQPQAYWYKDGU-JOCHJYFZSA-N 478.508 3.521 50 1 JHGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(/C=C/CBr)[nH]c4c3)cc2)CC1 586972915 CPTNQLCROOXLNX-NSCUHMNNSA-N 468.399 3.971 50 1 JHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1 31500238 ZTDKWGJYVGKBGW-AWEZNQCLSA-N 456.776 3.828 50 1 JHGF Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)nn2)c1 962634912 MZDVPZXVFYCXMF-YWZLYKJASA-N 466.847 3.556 50 1 JHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587448900 MRFUEVMIVOUBNS-WMZHIEFXSA-N 457.935 3.924 50 1 JHGF CC(=O)N1CCc2c(F)cc(C(=O)CCl)cc2[C@@]1([C@@H](N)Cc1ccccc1)C(F)(F)F 962776027 ZVJUQZRNFICQSL-LEWJYISDSA-N 456.867 3.979 50 1 JHGF C/C1=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O[C@@H]([C@H](C)/C=C(\C)C=O)C1 169373612 XKGDMUIDORFBTK-GYPMSLORSA-N 489.609 3.834 50 1 JHGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)nn2)c1 962634907 MZDVPZXVFYCXMF-MGPUTAFESA-N 466.847 3.556 50 1 JHGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189510 WXDBDWJJBYKTSU-LFZOIZTFSA-N 472.685 3.890 50 1 JHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O 587447729 DRTYMPPEDBEMAN-PGRDOPGGSA-N 492.391 3.518 50 1 JHGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647747 YJNYOXLAJJILST-JXFKEZNVSA-N 452.816 3.983 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)CC2=O 587489694 VQYVLBRXPDFBDT-PMACEKPBSA-N 453.354 3.971 50 1 JHGF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)NCC2 962918359 IJKCPFINHHOEFT-RUZDIDTESA-N 452.986 3.542 50 1 JHGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@@H](O)[C@H](O)C5(C)C 2356555522 YHDIJLPLKAVAQV-HGRRCTJHSA-N 457.014 3.919 50 1 JHGF COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 72122947 OLBMOZNPDAOQDT-QFIPXVFZSA-N 460.534 3.531 50 1 JHGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5ccc6c(c5)C(=O)OC6=O)[nH]c4c3)cc2)CC1 586907908 YMRHVCRUTNNCJB-UHFFFAOYSA-N 495.539 3.540 50 1 JHGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962983741 ZHAZAQJTSXNTKG-IIBYNOLFSA-N 475.319 3.681 50 1 JHGF COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3c(F)c(F)c(F)c(F)c3F)c2)cc1 33428409 PICLEYJOLJIOBY-NCAUGAEKSA-N 499.417 3.955 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Br)C1 587677495 ASOLXGIVTXWYGT-TYFHEEPYSA-N 464.173 3.943 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1 618008827 KWFTUAYKFNTVAN-UHFFFAOYSA-N 451.683 3.813 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2cccc(N3CCCC3)c2)cc(OC)c1Br 84703569 NSMPJMMMVFWCLW-GQBLCDNYSA-N 476.371 3.904 50 1 JHGF CC(C)n1c([C@H](CCCNC(=N)CCl)NC(=O)c2cccc3c2C(=O)NC3)nc2ccccc21 1857759180 RROOVQVHBLNQII-IBGZPJMESA-N 481.000 3.918 50 1 JHGF COC(=O)CCCC#CC#C[C@@H](Br)[C@@H](O)CCCCC#CC=CBr 2356387848 JJSKWMHHQMBMHV-MSOLQXFVSA-N 458.190 3.933 50 1 JHGF CC1=C(C=O)C(=O)O[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356445969 UZJYJCDYFRLVKM-AYZVUKBWSA-N 468.590 3.560 50 1 JHGF O=C(NNC(=O)C(F)(F)[C@H](O)c1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 1534908 YVINUMWCWLPWOX-LJQANCHMSA-N 474.851 3.957 50 1 JHGF CC(C)CN(NC(=O)c1ccc(-c2ccccc2)nc1)c1nc(C#N)ncc1Br 58583714 NHFRPBOYLOPGLO-UHFFFAOYSA-N 451.328 3.980 50 1 JHGF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)/C(=C/c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963528398 SFSPJOCNAZAYIF-XPOZTNAMSA-N 476.916 3.573 50 1 JHGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3O)ccc21 1857760338 IIFIKBRLGGIKBG-HHHXNRCGSA-N 477.536 3.722 50 1 JHGF C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 8034842 RTYBGDQNUBLFSW-YOSAUDMPSA-N 481.475 3.983 50 1 JHGF CC/C(Br)=C/C=C/[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 238789259 UTNSPXWSOISNAK-IPORJJPVSA-N 487.026 3.938 50 1 JHGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)/C(=C/c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963529171 VLVBRUOSEAZHMZ-ZUEVVPDTSA-N 476.916 3.573 50 1 JHGF CC[C@H]1[C@H]2[C@@H]3O[C@@H](C=C=CBr)C[C@H]3O[C@@]2(O)[C@@H](Br)C[C@H]1Br 2356618934 OUMZHLOKCPXJMJ-SJBWDGNQSA-N 487.026 3.868 50 1 JHGF CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 618009257 KFRICYPQULLKJH-UHFFFAOYSA-N 483.606 3.517 50 1 JHGF C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 103158244 NRNXZRSGHVUQAA-HXUWFJFHSA-N 469.884 3.982 50 1 JHGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962631497 IEJGBJXTEOPKIN-ZIFCJYIRSA-N 472.257 3.756 50 1 JHGF C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1cccc(Br)c1)c1cccc(Br)c1 40863724 NBAVZVQWZAYJHS-FKDRWTFESA-N 479.172 3.582 50 1 JHGF CC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 253637572 WNTSIEPLTIQXKX-UWBDBQSUSA-N 452.950 3.713 50 1 JHGF COc1ccc2c(c1OC)[C@](CCl)(Cn1nnc3ccccc31)N(C(=O)c1ccccc1N)CC2 963138571 JTHWIZAMDZMSFJ-SANMLTNESA-N 491.979 3.864 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43872294 PZDLECDNKNNTEH-BKAUZXKHSA-N 464.580 3.801 50 1 JHGF COc1cccc2c1[C@]1(N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)C(C=O)=CO2 963177560 OBUJFBXZTPAMGR-XCLFUZPHSA-N 453.800 3.685 50 1 JHGF CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccn3C)sc2n1 71318845 GMHODUMGTISCPG-JFLMPSFJSA-N 461.595 3.621 50 1 JHGF CCC(=O)O[C@]1(C(=O)CC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118922550 DRASCZVGXPOSFJ-PMWMQFKGSA-N 495.012 3.690 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 253665661 QCTMFPZPZPCXRZ-CXTUSZOASA-N 452.975 3.921 50 1 JHGF CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@H](C=NNC(=O)Cc3ccc(F)cc3)C2=O)cc1 1857580109 JIVRKNAPTDJJBG-QHCPKHFHSA-N 487.487 3.618 50 1 JHGF CCCc1nn(-c2ccccc2F)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857649299 KTSKGGBIFOAVNU-LJQANCHMSA-N 465.441 3.804 50 1 JHGF N#CCC(=O)NN/C(=C/[C@]1(C(F)(F)F)c2c(F)cccc2C[C@H]2CCCN21)C(F)(F)F 963117307 YJLKOLMOJREDDF-HPTJMVJTSA-N 450.358 3.584 50 1 JHGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963636098 OWLPFRMNUYXAIB-YUNKPMOVSA-N 451.317 3.793 50 1 JHGF CCC[C@@H](C[C@H](O)C(Br)Br)OC(=O)C(Br)Br 2356802720 SPQANOSXHQDVEP-WDSKDSINSA-N 489.824 3.681 50 1 JHGF COc1cc2c3c(c1)O[C@H](C(Br)(Br)CBr)[C@@H](C2)C3=O 587415623 VXAOCKHJHNODQR-UFBFGSQYSA-N 454.940 3.692 50 1 JHGF CS(=O)(=O)Nc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587533609 UHIBMQLBLABZGE-NRFANRHFSA-N 480.380 3.898 50 1 JHGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccc(Cl)nn2)N1 962707767 YFOIFACYOHMKBY-ABAIWWIYSA-N 468.632 3.525 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cc(Cl)ccc12 1857561430 BSVXAXDZBUCLAU-FQEVSTJZSA-N 476.949 3.888 50 1 JHGF CC1(C)OC2=C(C[C@H]1I)C(=O)/C(=N\NC(=O)c1ccncc1)c1ccccc12 1857613474 AFVJCGGYEIXLPA-KZTSJITJSA-N 487.297 3.512 50 1 JHGF CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(OS(=O)(=O)C=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C 195758590 KMFPKVCQFYEQTF-VIPLHTEESA-N 495.787 3.669 50 1 JHGF Cc1[nH]nc2c1[C@](c1cc(N3CCCCS3(=O)=O)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772609670 ZPTGJIIHSGCBDK-NRFANRHFSA-N 495.527 3.695 50 1 JHGF C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN 587341230 YAHWVSJFGVDLQI-HVKUTMBPSA-N 450.466 3.563 50 1 JHGF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c3c([nH]c12)CCN(C(=O)CCCl)C3 1772653175 JYTAJOIXFXQDLJ-UHFFFAOYSA-N 463.925 3.734 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](O)[C@H](Br)C#CC=CBr 2356469873 FDCPNRDPYOQPJY-QZTJIDSGSA-N 458.190 3.933 50 1 JHGF N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCS1 45245777 CRHSKFMHHSVIQD-GHBBCFCZSA-N 459.552 3.965 50 1 JHGF Cc1cn([C@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171178 JIMNASJSRXLXKJ-LEWJYISDSA-N 488.657 3.761 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C(CCl)[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118934034 RSPFLGNSMJQHEG-PJDINYKCSA-N 482.976 3.989 50 1 JHGF COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CBr)c(OC)c1 43080294 ADAAPIYMLNRAOL-QGZVFWFLSA-N 463.328 3.794 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@H](Br)[C@@H](O)C#CC=CBr 2356388255 YBWFHQWNVOJUCX-ROUUACIJSA-N 458.190 3.933 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587852320 FKJLDZGZEXBDAZ-XTZNXHDOSA-N 460.800 3.876 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(S(C)(=O)=O)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43872291 PZDLECDNKNNTEH-PZFKRUOTSA-N 464.580 3.801 50 1 JHGF O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 61887247 VCBBNVCMFCWCBV-YUMHPJSZSA-N 469.501 3.813 50 1 JHGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cscn1 195121163 KUBGFMGLBFHXJS-FQEVSTJZSA-N 451.357 3.580 50 1 JHGF Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2cc3c(cc2Cl)OCO3)cc1 1857555998 GCEMHXNBYLLLMW-KVSWJAHQSA-N 479.920 3.836 50 1 JHGF CN(N)C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1 28353985 LJWNBOUOTGSHEZ-UHFFFAOYSA-N 458.515 3.817 50 1 JHGF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587663202 XIDVDNDXAUNXMQ-UHFFFAOYSA-N 479.581 3.586 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(C(C)(C)C)N1 587673087 KCUGSDJQVAZGRF-BMLIUANNSA-N 450.190 3.875 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587839736 ICAWJAPOAWQVPY-ADLMAVQZSA-N 495.867 3.758 50 1 JHGF O=C(N/N=C/c1cccc(Cl)c1)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 1857635694 RYNXRGMOFYCQIY-AFUMVMLFSA-N 467.934 3.921 50 1 JHGF CCOC(=O)Cc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618483 RSPFZEFEYGVJAX-UHFFFAOYSA-N 481.914 3.730 50 1 JHGF COc1ccc([C@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(OC)c1 962640113 NMWYCAIAEWMHRM-RPWUZVMVSA-N 485.378 3.989 50 1 JHGF CCOC(=O)[C@@H](Cl)[C@]1(CC)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963150337 DUOFDTROCHYQSM-QPPBQGQZSA-N 460.958 3.760 50 1 JHGF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)/C(=C\c2cc(C(=O)CCl)c[nH]2)C(=O)c2ccccc21 963528396 SFSPJOCNAZAYIF-RSXVLHHISA-N 476.916 3.573 50 1 JHGF O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103282428 UWGMWPDMZJIBPP-KGLIPLIRSA-N 453.311 3.518 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539914 YNDHGRRJFRNGRM-OUOWLKGYSA-N 497.297 3.755 50 1 JHGF COc1ccc2c(c1)[C@@](c1cnn(C)c1C)([C@H](Cl)C(=O)c1cnn(C)c1C)N(C(C)C)CC2 962094939 URLPRCDIBOJRKQ-JWQCQUIFSA-N 470.017 3.779 50 1 JHGF O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)cc3cccc1c23 95581230 SEGASQFJPYASMO-UHFFFAOYSA-N 499.547 3.846 50 1 JHGF Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C(=O)c2ccccc2Cl)c1 103253545 PICUUNXBTCLNGA-UHFFFAOYSA-N 490.899 3.826 50 1 JHGF N#CC1=C(N)OC(c2ccccn2)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857753434 CUYQGQBFUJWGCV-HXUWFJFHSA-N 460.471 3.640 50 1 JHGF CCC[C@@H](C[C@@H](CBr)OC(C)=O)OC(=O)C(Br)Br 2356795293 LTYROPIECNPDNS-IUCAKERBSA-N 452.965 3.531 50 1 JHGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647762 YJNYOXLAJJILST-OXJNMPFZSA-N 452.816 3.983 50 1 JHGF COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)CCBr)C4)c3c2)cc1C#N 1857595090 PCDNLPUURWGHBR-SFHVURJKSA-N 495.381 3.760 50 1 JHGF C=C(CCCC(C)=O)[C@@H]1[C@H](OC(C)=O)O[C@@H](OC)C(=CC=CC(C)(C)OO)[C@@H]1CC(=O)O 2356513358 WSQOTVHJIKBSCQ-VXSCBNMQSA-N 454.516 3.652 50 1 JHGF COc1ccc(OC)c(S/C(N)=C(C#N)/C(C#N)=C(\N)Sc2cc(OC)ccc2OC)c1 40460557 KWDSVMHKXMILPA-YHARCJFQSA-N 470.576 3.993 50 1 JHGF CS(=O)(=O)c1cc([C@@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962764991 LSOQJQXUELZKNH-MAUKXSAKSA-N 494.304 3.513 50 1 JHGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963840669 BMXOAXUGBWAPQW-MTJJIEKYSA-N 497.972 3.560 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCCO)[C@]42CC3=O 2356767562 DQNNONYJPZBYNN-BZZMRDLJSA-N 495.755 3.866 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 195798253 HRGRFZLKWPCHPI-IDCSWQLWSA-N 485.730 3.676 50 1 JHGF COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103211568 OZJKCCIOMYAYLJ-PZJWPPBQSA-N 497.338 3.882 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2ccc(F)cc2)c2ncccc2c1 1772646377 CSFRIZALCDCTLN-HNNXBMFYSA-N 454.506 3.999 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CBr)(C(C)(C)C)N1 587673403 MOYWWZHMTVYBQP-DYZYQPBXSA-N 450.190 3.875 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2ccccc2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504643109 JOCSYNPDAMGNJA-SJUQIGKKSA-N 487.593 3.877 50 1 JHGF biogenic CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 587672519 GJHFNQXHJPERSA-VVVCHXIZSA-N 472.156 3.509 50 1 JHGF CC(C)(C)OC(=O)/C(C#N)=C1/C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 587890760 CEKLLPGIANVBIQ-ZZEZOPTASA-N 458.345 3.818 50 1 JHGF O=C(NNC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])o1 84741587 MCMQWIIWGLAXTB-OAQYLSRUSA-N 483.912 3.603 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757829 PVXUPGLGFNOIPN-XZQZFJHNSA-N 470.559 3.789 50 1 JHGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCC#N)C(=O)CCl 299804855 LVXPBEZHZZIQHO-HRPNYCIHSA-N 491.987 3.997 50 1 JHGF CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447429 ABGMQZJQQVLRNX-GCJKJVERSA-N 494.407 3.764 50 1 JHGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545649 RYYLCVHCELSLRS-IOZGHAEBSA-N 462.889 3.788 50 1 JHGF COc1ccc2c(c1OC)[C@](CBr)([C@@H]1CCOC1)N(C(=O)c1ccccc1N)CC2 963144913 VWPXKHNJNDZURY-MWTRTKDXSA-N 475.383 3.611 50 1 JHGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963636096 OWLPFRMNUYXAIB-MPBGBICISA-N 451.317 3.793 50 1 JHGF COCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253635605 SARVWGYKGSYLTK-OCTBHDBUSA-N 497.003 3.730 50 1 JHGF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586936252 OVQDVPUEORYPDO-UHFFFAOYSA-N 456.418 3.651 50 1 JHGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CCl)(CCC(=O)OC)N2C(=O)OC(C)(C)C 962713162 UFJRRCYJSPXZEZ-DHIUTWEWSA-N 469.937 3.864 50 1 JHGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 45289010 MQGOONOUUVLECF-HXUWFJFHSA-N 489.384 3.946 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198850 ANJHMDUQQGXSIT-OBHJPTKNSA-N 464.555 3.837 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610196 WVGXRHKKFGEJHI-XUZZJYLKSA-N 487.961 3.580 50 1 JHGF Cc1ncsc1[C@]1(CNC(=O)CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587853108 KUNFDAYWQUUPJS-MLCYQJTMSA-N 460.800 3.876 50 1 JHGF O=CC1=C(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)N2CCN=C2S1 587898018 AXHZDKKDTWHBAB-UHFFFAOYSA-N 470.381 3.990 50 1 JHGF C=C(CCCC(C)=O)[C@@H]1[C@H](OC(C)=O)O[C@@H](OC)C(=CC=CC(C)(C)OO)[C@H]1CC(=O)O 2356513355 WSQOTVHJIKBSCQ-FVTFTPSCSA-N 454.516 3.652 50 1 JHGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 103019286 SUQGDEQDNJUIEA-MNAQKMTRSA-N 451.504 3.704 50 1 JHGF COc1ccc2c(c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCBr)C2=O 35079983 ZPVICIUELJKGAD-UHFFFAOYSA-N 473.279 3.923 50 1 JHGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)CCBr 587273294 JQWMYYCVYWYLNZ-SSDOTTSWSA-N 455.928 3.814 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)C(=O)C(=O)OC)CC2=O 587453959 SZDDOYDSZREVLJ-IRLDBZIGSA-N 461.308 3.711 50 1 JHGF COC(=O)c1c2ccn(CCOCCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 377853454 IYOPFEQFCQVXML-UHFFFAOYSA-N 463.494 3.777 50 1 JHGF CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Br)C1 587546683 XFJPNLRLRRTRIX-LZJOCLMNSA-N 462.296 3.718 50 1 JHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)[C@@]1(C)CS(=O)(=O)ON 962942546 FTUKENZNDUZHAN-NSIGOFGRSA-N 496.471 3.707 50 1 JHGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC 3592414 WYNJBJVUQJQDFP-CQSZACIVSA-N 458.946 3.547 50 1 JHGF C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)NN 587341226 YAHWVSJFGVDLQI-GACAWOKJSA-N 450.466 3.563 50 1 JHGF CS(=O)(=O)NC(=O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857582508 BCBYQWUAYMNTTR-UHFFFAOYSA-N 491.606 3.626 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCONC(=O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158713 QROIWVJWVKYIGW-CLFBHSKXSA-N 461.555 3.963 50 1 JHGF C=C(CCCC(C)=O)[C@H]1[C@H](CC(=O)O)/C(=C\C=C\C(C)(C)OO)[C@@H](OC)O[C@@H]1OC(C)=O 207689839 WSQOTVHJIKBSCQ-LIEJKNTBSA-N 454.516 3.652 50 1 JHGF NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@H](F)[C@@H](Cl)C=C4)c3)ncnc12 166948541 RKZPJUYYKFXMLU-OALUTQOASA-N 451.889 3.721 50 1 JHGF Cc1c(O)ccc2c1[C@@](CBr)(c1ccc(F)c(F)c1Br)N[C@H](C(=O)O)C2 963487895 FFGSZSOXEKVSCO-KPZWWZAWSA-N 491.126 3.979 50 1 JHGF Cc1cn([C@H]2C[C@H](NC(=O)Nc3ccccc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473137654 YWNGKIFQKBXGGM-IPMKNSEASA-N 474.634 3.757 50 1 JHGF Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12732823 JSQRKBXDHZKOIA-QFEZKATASA-N 489.960 3.522 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1 199891153 HTLSKHWPRPPXGD-MSOLQXFVSA-N 462.293 3.889 50 1 JHGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963636097 OWLPFRMNUYXAIB-ODXCJYRJSA-N 451.317 3.793 50 1 JHGF O=C(N/N=C/c1cccn1CCCN1CCOCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857655564 CVMVEGAXLNBUJT-VUTHCHCSSA-N 487.564 3.986 50 1 JHGF C[C@@H]1[C@@H](OC(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101851192 JAJGWMGTSWYVBH-QRZZUGMSSA-N 457.523 3.656 50 1 JHGF Cc1cn([C@H]2C[C@H](NC(=O)c3c[nH]c4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473136338 QAOSFBXTWJJISY-PWRODBHTSA-N 498.656 3.847 50 1 JHGF CS(=O)(=O)Nc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587533616 UHIBMQLBLABZGE-OAQYLSRUSA-N 480.380 3.898 50 1 JHGF CCOC(=O)c1ccc(Nc2cc(CN(CCCl)CCCl)nc3c(C#N)cnn23)cc1 1772599132 BQCWIAOEMCGWEV-UHFFFAOYSA-N 461.353 3.801 50 1 JHGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1nc[nH]n1 963174149 AXHKZEVASDSJRI-LIRRHRJNSA-N 488.297 3.966 50 1 JHGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccccc4)cccc2-3)cc1 14945681 VABZZXKALNNIOQ-UHFFFAOYSA-N 453.458 3.763 50 1 JHGF CCCc1c(O)ccc2c1O[C@@](CBr)(CS(=O)(=O)c1ccccc1)CC2=O 587489687 VNZVNWSKYBPOLL-FQEVSTJZSA-N 453.354 3.918 50 1 JHGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545650 RYYLCVHCELSLRS-JYMRHQFYSA-N 462.889 3.788 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 253665192 MUQNGPZZQDCDFT-XPXAUWAFSA-N 454.966 3.889 50 1 JHGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc(Br)c1O 299868452 RJPDHKNJBQLOHZ-WYMPLXKRSA-N 469.295 3.575 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 618007550 DYUMLKYMVHKDIX-HNNXBMFYSA-N 478.511 3.834 50 1 JHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)[C@@]1(C)CS(=O)(=O)ON 962942544 FTUKENZNDUZHAN-DUHLRFRVSA-N 496.471 3.707 50 1 JHGF CCOc1ccccc1/C=N/NC(=O)CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 103248311 FRXBCEUEDRYQNC-MTDXEUNCSA-N 465.985 3.949 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C(CCl)[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 299809611 RSPFLGNSMJQHEG-UCDWWBAUSA-N 482.976 3.989 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963685252 GJASNCDANRZKOA-RJGXRXQPSA-N 484.669 3.782 50 1 JHGF Cc1ccc(Oc2c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)c(C)nn2-c2ccccc2)cc1 1857571819 MYYQIKOSRBPACA-LGJNPRDNSA-N 473.493 3.845 50 1 JHGF NNC(=O)[C@@]1(NC(=O)c2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 6003612 XGTAMSXGRUCMLO-ABYGYWHVSA-N 475.552 3.811 50 1 JHGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)cc1 103199322 BFPGYRHRSQTPCL-VXKWHMMOSA-N 494.960 3.927 50 1 JHGF CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C 103222254 OYVAGNCHSYGEAP-VLGSPTGOSA-N 452.433 3.858 50 1 JHGF C[C@](O)(COc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 3817266 WDGDXDBAGPYNGQ-SFHVURJKSA-N 475.807 3.559 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 96941722 OUKDLWAAMCMZEI-KFLIGQANSA-N 450.604 3.884 50 1 JHGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1F 103210759 NZJLUMBDOQBFPN-QGZVFWFLSA-N 461.284 3.582 50 1 JHGF O=C(N/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)c2ccccc12)[C@H]1COc2ccccc2O1 169689476 KIPUJNJHRICKHG-QCQFVGOUSA-N 475.888 3.640 50 1 JHGF COc1ccc2c(c1)CCN1O[C@]3(C[C@H]21)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@]4(C)OO[C@]21[C@H](O[C@H]3OC)O4 473150989 NYHUSDNLEVWZGE-BBUCYMHYSA-N 473.566 3.887 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587682250 KQNAHYFGUZFLQV-UGZDLDLSSA-N 482.147 3.890 50 1 JHGF CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356656978 QAIOVDNCIZSSSF-DQTBYFELSA-N 485.404 3.914 50 1 JHGF C=C([C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H](Cl)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C 40974974 LGDYOAVRXJYRRK-FLEZKLDCSA-N 485.017 3.605 50 1 JHGF O=NN(CCCl)C(=O)OCCCSSCCCOC(=O)N(CCCl)N=O 5663324 IACKYAGGLPHNLP-UHFFFAOYSA-N 451.354 3.866 50 1 JHGF O=C(N/N=C/c1ccc(O)cc1O)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299831565 DYKNEIVOXQCNAC-AFUMVMLFSA-N 490.545 3.762 50 1 JHGF CCOc1ccc(N2C(=O)CS/C2=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1772619574 RIGNPUAXJWFGNT-FCDQGJHFSA-N 454.335 3.938 50 1 JHGF Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 1857544233 ZXTYMZGCUJWETB-DHRITJCHSA-N 459.466 3.536 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCc2cccs2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504815535 HXBCXXIMAVRSRY-WVNIHAATSA-N 479.595 3.896 50 1 JHGF biogenic NC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587319491 BWVCJAWOEHMZLU-OFNKIYASSA-N 486.293 3.985 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)O2 587384713 NMROEZWQBMSJBR-SFPLQAFVSA-N 455.917 3.926 50 1 JHGF C/C(=N\NC(=O)c1sc2c(c1N)CCCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 66103304 CWGDIILFWVBVKK-BUVRLJJBSA-N 460.625 3.538 50 1 JHGF CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Br)C1 587682096 MLDXWBRWTGMVJJ-SVKFGRERSA-N 464.173 3.943 50 1 JHGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccc(F)cc2C[C@@H]2CCCN23)[C@H]1c1cccs1 963114579 UVDTYUCDWCNABU-LMNXFLSBSA-N 463.534 3.729 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4ccc(C#N)cc4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857543282 YXIYPBQMTHVCBK-QGJJHSLGSA-N 466.538 3.864 50 1 JHGF Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 103241792 IZRNXJWUMFPRKK-LKUDQCMESA-N 456.984 3.712 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 195482003 HRGRFZLKWPCHPI-OGTOMSIUSA-N 485.730 3.676 50 1 JHGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)cc1 103199319 BFPGYRHRSQTPCL-FCHUYYIVSA-N 494.960 3.927 50 1 JHGF O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@H]1c3ccccc3N(OOSc3ccccc3)[C@H]12 59796336 DOUSUFJZMPSFKS-FZZWXMEGSA-N 473.554 3.829 50 3 JHGF CCOP(=O)(OCC)[C@@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(O)cc1 1857574290 AAJGPOYNRBINMQ-LJQANCHMSA-N 493.482 3.515 50 1 JHGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)Nc2ccccc2)c1 1857593081 OWGJPVWICYQEIQ-LYBHJNIJSA-N 455.923 3.927 50 1 JHGF NNC(=O)c1cccc(COc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c1 587881967 HTRYQMVIBCDBQW-UHFFFAOYSA-N 482.367 3.886 50 1 JHGF OB(O)c1ccc(C(F)(F)F)cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816877 HYQFOMIOQHGTFL-QHCPKHFHSA-N 466.268 3.681 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC(=O)Nc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98083936 VJKHUMVJBWJRCC-YOGGEQNGSA-N 491.541 3.941 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 36311361 OUKDLWAAMCMZEI-YHIBVJDWSA-N 450.604 3.884 50 1 JHGF C[C@@]1(OC(=O)COc2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 140054585 HQVHCYKHXCWAMC-LJAMWKNPSA-N 460.548 3.730 50 1 JHGF Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)noc1-c1ccccc1 66259279 ORNTXROTGYISMC-UHFFFAOYSA-N 455.316 3.882 50 1 JHGF CC[C@@]1([C@H](Cl)C(=O)OC)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963470908 MFAMQGBKKFCBCB-XLNZFTOWSA-N 454.910 3.705 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2cccc3ncccc23)cc(OC)c1Br 84726725 YWAKRPMWWLLQDG-VWXZLZIGSA-N 458.312 3.852 50 1 JHGF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@H](Br)[C@H]1CC[C@@]2(C)[C@@]1(C)CS(=O)(=O)ON 963235020 FFNCRUVJUMVNQN-MNHZQJCVSA-N 485.488 3.958 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)cc2)N1 587841940 SOASEDWBQSVXBT-ZUOKHONESA-N 489.838 3.697 50 1 JHGF N#CC1=C(N)OC(c2ccccn2)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1857753433 CUYQGQBFUJWGCV-FQEVSTJZSA-N 460.471 3.640 50 1 JHGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586973237 GXZUYCQUPZTQMC-CQSZACIVSA-N 464.385 3.631 50 1 JHGF Cc1csc(C(=O)NNC(=O)CN[C@H]2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 28385109 DASMXTQNHXWBJG-QHCPKHFHSA-N 476.646 3.704 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(Br)cc12 587682251 KQNAHYFGUZFLQV-ZRNGKTOUSA-N 482.147 3.890 50 1 JHGF N[P@@](=O)(OCC1=C(Br)C(=O)c2ccccc2C1=O)N(CCCl)CCCl 26851999 KZFKSZKFQQLGMJ-RUZDIDTESA-N 470.087 3.578 50 1 JHGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1cc2cc(Br)ccc2nc1Cl)c1ccncc1 1772623737 UIKWRTCLCKVQJJ-LSDHHAIUSA-N 466.122 3.881 50 1 JHGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 195481999 HRGRFZLKWPCHPI-OBFGSCNYSA-N 485.730 3.676 50 1 JHGF COc1cc2c(c(OC)c1OC)N[C@H](C(=O)N1C[C@@H](CCl)c3c1cc(O)c1ncccc31)C2 55652226 PGHAETMEBBAZNN-HIFRSBDPSA-N 469.925 3.672 50 1 JHGF COC(=O)Cc1ccc([C@]2(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)s1 962656729 AZXYRCLTAGVWCR-GOTSBHOMSA-N 458.967 3.593 50 1 JHGF CS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587606047 GAUMHIDWIUQWOB-QPPBQGQZSA-N 485.945 3.810 50 1 JHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2cccc(F)c2[N+](=O)[O-])N1 963223718 HCUHKPVDRWPWKK-YLJYHZDGSA-N 460.259 3.520 50 1 JHGF O=C(CNC(=O)c1cccnc1Cl)N/N=C/c1ccccc1OCc1ccccc1Cl 1857561938 DMGCBEVJNDATTJ-KKMKTNMSSA-N 457.317 3.848 50 1 JHGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCCC3)cc2)cc(OC)c1Br 68198209 YZLBUJSLQHVHLJ-GQBLCDNYSA-N 476.371 3.904 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)CBr)N1 587672833 IKFFMAOACGRXJD-CPFSXVBKSA-N 457.963 3.677 50 1 JHGF CCCC[C@](O)(C(=O)NCCCCCC(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1 64633605 LYAVXWPXKIFHBU-VWLOTQADSA-N 455.555 3.729 50 1 JHGF in-vitro CCC(=O)O[C@]1(C(=O)O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C(CCl)[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 299809610 RSPFLGNSMJQHEG-QZNKWTHPSA-N 482.976 3.989 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587840718 MRHOWODOQUENEX-ZMZPIMSZSA-N 495.867 3.758 50 1 JHGF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)OCCCl 27084094 LFYJYUQISXBRBA-DLPLYFIVSA-N 490.892 3.664 50 1 JHGF O=C(CBr)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CBr)ccc1-2 653788019 LMUIJOQTFFMPLE-UHFFFAOYSA-N 452.102 3.565 50 1 JHGF CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C 195952645 KMFPKVCQFYEQTF-AXVVYFOYSA-N 495.787 3.669 50 1 JHGF C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618009011 OQJQBXVRUILXEA-KNQAVFIVSA-N 489.707 3.905 50 1 JHGF Cc1nc(C)c([C@]2(CBr)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963134067 CQMAATATFMLCHW-KZULUSFZSA-N 472.361 3.633 50 1 JHGF O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 103238668 NQXYVOUVKOAFKA-NJNXFGOHSA-N 464.532 3.628 50 1 JHGF CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)OC/C(O)=C(/C#N)C(C)=N)cc1 621477520 NCQNVHUGZPOXBT-IPWIJOCVSA-N 465.482 3.967 50 1 JHGF COc1cc2c(cc1OC)[C@@](C)([C@@H](Cl)C(=O)C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963153193 KIMMBPCDDQCCNZ-RXVVDRJESA-N 470.875 3.939 50 1 JHGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@H]3[C@@H](O)C[C@]21C 82056165 DMKSVUSAATWOCU-JZUZQBQSSA-N 466.958 3.917 50 1 JHGF CCC(=O)N[C@H](C[C@H](C)C(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)Cl 139292038 BWRBCPLQKLOCKU-YFKTTZPYSA-N 476.228 3.809 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)N(CCCl)C(=O)CO2 587884345 JGDIBPZWQNEVMK-UHFFFAOYSA-N 451.737 3.668 50 1 JHGF CN(C)C(=O)c1csc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962695662 JJFQKRACEWIWCD-RDTXWAMCSA-N 464.868 3.689 50 1 JHGF C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccc(Cl)cc1 84671489 XPDWCQMOAYLTHH-UETRGQPKSA-N 476.924 3.986 50 1 JHGF COc1ccc([C@@]2(CBr)NCCc3cc4cccc(OC)c4nc32)cc1[N+](=O)[O-] 963057140 LPFCCGNSRWFMAM-OAQYLSRUSA-N 458.312 3.944 50 1 JHGF CO[C@@H]1C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@@H](C[C@H]2Br)[C@H](OC(C)=O)C1 2356801365 QOBNGEOAQDBNHW-NBVANNOFSA-N 480.193 3.651 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](Br)[C@@H](O)C#CC=CBr 2356388253 YBWFHQWNVOJUCX-MSOLQXFVSA-N 458.190 3.933 50 1 JHGF CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408095 FFPIUXFCRAEOOC-OAQYLSRUSA-N 481.412 3.863 50 1 JHGF CC(=O)N1CCc2c(F)cc(C(=O)CCl)cc2[C@]1([C@H](N)Cc1ccccc1)C(F)(F)F 962776030 ZVJUQZRNFICQSL-RTWAWAEBSA-N 456.867 3.979 50 1 JHGF CCOC(=O)[C@@H](Cl)[C@@]1(CC)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963150353 DUOFDTROCHYQSM-ZJSXRUAMSA-N 460.958 3.760 50 1 JHGF NC(=O)COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326756 MZVUOXBYTPQQNU-LADGPHEKSA-N 455.869 3.889 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 618008387 FKMOAEUDKAWCSN-SFHVURJKSA-N 458.093 3.570 50 1 JHGF COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)o2)cc1 618008847 LVMWSJHLAZHZFA-UHFFFAOYSA-N 491.679 3.867 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)O2 587384712 NMROEZWQBMSJBR-DOMBRYFRSA-N 455.917 3.926 50 1 JHGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)N(C)N=O)CC2 29230060 XMGDWNKNFDSIKQ-HNNXBMFYSA-N 459.524 3.772 50 1 JHGF COCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253635604 SARVWGYKGSYLTK-GKYXRNOTSA-N 497.003 3.730 50 1 JHGF O=C(CCCC[C@H]1CCSS1)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169719611 GMEIXEUMOKSTHZ-INIZCTEOSA-N 454.639 3.942 50 1 JHGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543293 KBPSNPLSGUSUDW-YCRNBWNJSA-N 479.286 3.931 50 1 JHGF COc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1OC 962973215 JOSTUJXVKZMRAQ-DJJJIMSYSA-N 476.701 3.873 50 1 JHGF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 64549809 BNRNBKNJBXCDOI-QFIPXVFZSA-N 481.420 3.899 50 1 JHGF CC(=O)Nc1ccc([C@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963138088 HSFFOLYQTPWMKZ-HRAATJIYSA-N 465.959 3.830 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC(=O)CCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169324576 XFNDHSCGMHDKPD-NKHDUEHSSA-N 452.422 3.535 50 1 JHGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 618008217 VEHQOXIYHBNRLH-HNNXBMFYSA-N 464.484 3.905 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@H](O)[C@@H](Br)C#CC=CBr 2356469874 FDCPNRDPYOQPJY-ROUUACIJSA-N 458.190 3.933 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@H](O)[C@H](Br)C#CC=CBr 2356469872 FDCPNRDPYOQPJY-MSOLQXFVSA-N 458.190 3.933 50 1 JHGF O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103284637 HNZKLPGDQWAHPN-KBPBESRZSA-N 453.311 3.518 50 1 JHGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)CI)cc1)[C@@H](C2)C3=O 587426318 BDXGDVNYHOYEMS-YWZLYKJASA-N 463.271 3.732 50 1 JHGF COc1cc2c(cc1OC)[C@@]1(C(C=O)=C(N)Oc3cc(C)c(C)cc31)N(C(=O)c1ccccc1N)CC2 963133356 BIBUXBCWVOWIJC-GDLZYMKVSA-N 499.567 3.607 50 1 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C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1 587850267 PAFDKJIDEJSZBK-BUXKBTBVSA-N 469.401 3.984 50 1 JHGF CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccc(OCCN2CCOCC2)cc1 1857653967 QXKBHATUIPOBRB-AITIGTCKSA-N 485.588 3.905 50 1 JHGF N[C@@H](Cc1ccc(O)cc1)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43024289 RJIKIGXGESBUKP-ONYZCQJHSA-N 484.600 3.739 50 1 JHGF COc1ccc(Oc2nc3ccccc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 169311899 YGEZJZFYZRLJBC-BRJLIKDPSA-N 460.450 3.599 50 1 JHGF CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl 13386605 LUBDISRPOXFANL-PGQNDPHJSA-N 470.990 3.547 50 1 JHGF Cc1c(Br)cc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1Br 39775397 KFEPVFJQVOMODD-SCDVKCJHSA-N 486.120 3.696 50 1 JHGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211558 GOVGUBPSAUTQQK-FPOVZHCZSA-N 497.338 3.882 50 1 JHGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)C(=O)C(=O)OC)CC2=O 587453954 SZDDOYDSZREVLJ-IFMALSPDSA-N 461.308 3.711 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cc(C)c(C)cc12 1857557227 YTYYDZVJOUUOEG-JOCHJYFZSA-N 470.558 3.852 50 1 JHGF O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103282425 UWGMWPDMZJIBPP-ZIAGYGMSSA-N 453.311 3.518 50 1 JHGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2ccccc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504643108 JOCSYNPDAMGNJA-SJCATSOVSA-N 487.593 3.877 50 1 JHGF biogenic COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587672311 ZNAOMTOSJWVTMG-PEECDGGASA-N 499.174 3.872 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@@H](CCl)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118934021 PKRUHBYJBPPQKN-HVJKBTIESA-N 452.975 3.731 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)n(C)c(=O)n3C)N1 587683188 FTGBLPDAJSRWSR-BIBXISHDSA-N 452.755 3.795 50 1 JHGF COCCOc1nc(-c2ccc(Br)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653863931 AUZMPSMTKSQVOT-UHFFFAOYSA-N 465.735 3.899 50 1 JHGF CSCC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43123254 RWRBYBMFPFOWSP-ILGMOKPNSA-N 452.624 3.544 50 1 JHGF CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C 253645498 KMFPKVCQFYEQTF-YZLZLFLDSA-N 495.787 3.669 50 1 JHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CC[C@](C)(C=C[C@@H]3OC(=O)C=C3C)OO)[C@](C)(O)C[C@H](O)[C@@H]21 2356410928 FWUBFQSZJNVEKR-HQGGQGBDSA-N 480.598 3.560 50 1 JHGF COc1ccc2c(c1O)-c1cc(O)cc3c1[C@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 52955698 UMXBZAMCPMNXFT-SFHVURJKSA-N 465.377 3.535 50 1 JHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587009558 LDOLPZTYSMEPCW-SFHVURJKSA-N 475.940 3.742 50 1 JHGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189511 WXDBDWJJBYKTSU-OEODGHQXSA-N 472.685 3.890 50 1 JHGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)CC2=O 587489722 VQYVLBRXPDFBDT-VQTJNVASSA-N 453.354 3.971 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@H](Br)[C@H](O)C#CC=CBr 2356388256 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CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 58602098 PGFABUSMKJULOA-LIASLNQGSA-N 457.394 3.960 50 1 JHGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211555 GOVGUBPSAUTQQK-PZJWPPBQSA-N 497.338 3.882 50 1 JHGF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)O[C@H]1CCl 299808993 FSUCSZKGFXRWKL-LJISPDSOSA-N 456.109 3.996 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 587673404 MOYWWZHMTVYBQP-QGHHPUGFSA-N 450.190 3.875 50 1 JHGF CC(=O)O[C@H]1CCCN(Cc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)C1 1857748889 AMXJRFQHXMNGDU-UQQIOGDDSA-N 458.356 3.741 50 1 JHGF C[C@@H]1N[C@H](C(=O)NNC(=O)CCNc2ccnc3cc(Cl)ccc23)Cc2c1[nH]c1ccccc21 1911571263 CJROLKFZNMADTG-FPTDNZKUSA-N 476.968 3.594 50 1 JHGF COC[C@H]1O[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](OC)[C@@H]1OC 95549925 OZEWPNYDUHPUBQ-XDZXDJIYSA-N 451.523 3.772 50 1 JHGF CN(C)c1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248297 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COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103211579 OZJKCCIOMYAYLJ-CTNGQTDRSA-N 497.338 3.882 50 1 JHGF COc1cc2c3c(c1)O[C@@H](C(Br)(Br)CBr)[C@@H](C2)C3=O 587415622 VXAOCKHJHNODQR-QPUJVOFHSA-N 454.940 3.692 50 1 JHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)NCCCCl)c1 587896950 OGWWFZWMTIVNJF-UHFFFAOYSA-N 473.809 3.611 50 1 JHGF C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC(=O)COc1ccccc1 100834013 HQVHCYKHXCWAMC-DAQNBYSMSA-N 460.548 3.730 50 1 JHGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cscn1 195121149 KUBGFMGLBFHXJS-HXUWFJFHSA-N 451.357 3.580 50 1 JHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(I)cnc2[nH]1 587009998 YTKAWGBHSPWNHF-AWEZNQCLSA-N 479.709 3.683 50 1 JHGF C[C@@H]1C=CC(C#N)=C(Oc2nnc(SCC(=O)NC3CCCC3)n2CCCc2ccccc2)N1 1857591242 HWEDGRGKWOACCG-GOSISDBHSA-N 478.622 3.724 50 1 JHGF COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)NN)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 29477457 LKNJZITXBGHKQT-YSSKZCQZSA-N 481.596 3.550 50 1 JHGF COc1cc2c3c(c1)O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)[C@@H](C2)C3=O 587427038 GAGUOHPZSZPQDT-YRBZSLSDSA-N 468.912 3.826 50 1 JHGF CO[C@@H]1C[C@H](Cl)[C@H]2C[C@H](C=C=CBr)O[C@H](C)[C@H](O)[C@@H](C[C@@H]1Br)O2 2356418963 BWMXTENBOUZINM-VDMZZSAGSA-N 474.617 3.522 50 1 JHGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962631492 IEJGBJXTEOPKIN-LNLFQRSKSA-N 472.257 3.756 50 1 JHGF CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2)N(C#N)CCCc1ccccc1 96928206 CZTSNSSQZSVLLK-VWLOTQADSA-N 498.583 3.588 50 1 JHGF C#C[C@@H](Br)[C@H]1C[C@H]2O[C@@]3(CC[C@@H]([C@@H](Br)CC)O3)[C@H](Br)[C@H]2O1 145380400 PRWLVULCYHQOAW-LAVCKTHVSA-N 487.026 3.752 50 1 JHGF Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@H](C)CSSCCN(C)C)CC2)c1C 618017817 QNMJWIXMNLBGCT-OFNKIYASSA-N 492.755 3.522 50 1 JHGF COc1cccc(Br)c1[C@@]1(CBr)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911027 YCRRTWRGGLEROO-KSSFIOAISA-N 473.136 3.834 50 1 JHGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(C[C@H](O)CN2CCOCC2)c2ccccc12 95597807 SYNBBJKIKWSXEW-CAZPATRMSA-N 466.626 3.718 50 1 JHGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1ccc(OC(F)(F)F)cc1 103201136 JBOJTGOMHNXIHR-KRWDZBQOSA-N 492.845 3.688 50 1 JHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CBr)(C(C)(C)C)N1 587673090 KCUGSDJQVAZGRF-QGHHPUGFSA-N 450.190 3.875 50 1 JHGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 36311364 OUKDLWAAMCMZEI-TXKIYWPRSA-N 450.604 3.884 50 1 JHGF CC/C(Br)=C\C=C/[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 225653151 UTNSPXWSOISNAK-ZXAVNOFTSA-N 487.026 3.938 50 1 JHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 587373852 TXEDPFOBEGBOGL-OZILRDFVSA-N 481.184 3.519 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CN1C(=O)c2ccccc2C1=O 587539195 UURZSWNVCHNRKO-CYFREDJKSA-N 494.297 3.784 50 1 JHGF O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)CBr)[C@H]1c1ccc(F)cc1 587322635 NQSNANPVXPWTFX-FUHWJXTLSA-N 472.104 3.988 50 1 JHGF CCC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 71789479 BUEXOUZGIAHWIF-ZJUZSDNKSA-N 450.959 3.697 50 1 JHGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586973233 GXZUYCQUPZTQMC-AWEZNQCLSA-N 464.385 3.631 50 1 JHGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606891 JEDDJJPPQLSVLQ-NFBKMPQASA-N 467.524 3.867 50 1 JHGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 618007760 HODQIPKOGVOEGI-MRXNPFEDSA-N 463.591 3.617 50 1 JHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O 587447728 DRTYMPPEDBEMAN-AVRDEDQJSA-N 492.391 3.518 50 1 JHGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647765 YJNYOXLAJJILST-OXQOHEQNSA-N 452.816 3.983 50 1 JHGF O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 28339440 CDYWTUNCBKQYIE-MTDXEUNCSA-N 461.953 3.560 50 1 JHGF COC(=O)c1ccc(OC(=O)N(C)/N=N/c2nc(OCc3ccccc3)c3nc[nH]c3n2)cc1 28639071 ZYDKPPNGLJIXJJ-BYYHNAKLSA-N 461.438 3.848 50 1 JHGF COc1cc(CCc2ccc(O)cc2)cc(O)c1-c1c(OC)cc([C@@H]2OO[C@H]2CO)cc1OC 1857745449 WGWPVXGEAIXRAE-OZXSUGGESA-N 468.502 3.940 50 1 JHGF COc1cc2nc(N3CCN(C(=O)CCCC[C@H]4CCSS4)CC3)nc(N)c2cc1OC 13606739 TZIDXYRBHBHFBV-HNNXBMFYSA-N 477.656 3.592 50 1 JHGF Cc1c(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2Cl)nnn1-c1ccc([N+](=O)[O-])cc1 1857764928 PLWUFARAMAWSLJ-YSURURNPSA-N 485.291 3.945 50 1 JHGF COc1cc2nc(N3CCN(C(=O)CCCC[C@@H]4CCSS4)CC3)nc(N)c2cc1OC 13606736 TZIDXYRBHBHFBV-OAHLLOKOSA-N 477.656 3.592 50 1 JHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCc2ccccc2)c2ncccc2c1 205199530 AZOGTMSPTFNYPV-KRWDZBQOSA-N 450.543 3.538 50 1 JHGF COC(=O)CCCC#CC#CCCCC[C@@H](O)[C@@H](Br)C#CC=CBr 2356469875 FDCPNRDPYOQPJY-ZWKOTPCHSA-N 458.190 3.933 50 1 JHGF C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618009380 WTSPSLHAROWOKT-IBGZPJMESA-N 489.707 3.905 50 1 JHGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 40441864 WWDZEXIJJNQHFV-GPSQPDJPSA-N 452.950 3.665 50 1 JHGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1cccc(Cl)c1 199891272 QSFKOWYCUOLQQQ-MSOLQXFVSA-N 462.293 3.889 50 1 JHGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962627507 GLQBPKJJUBYQJU-KHYOSLBOSA-N 464.868 3.628 50 1 JHGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(OC)cc2)n1 1772588820 LLMDESAFMXAZLB-COOPMVRXSA-N 459.531 3.988 50 1 JHGF CCC(=O)O[C@]1(C(=O)O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C[C@H](CCl)[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 299808304 PKRUHBYJBPPQKN-AOZCPMFKSA-N 452.975 3.731 50 1 JHGF O=C1COc2cc([C@]3(CCl)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c(Cl)cc2N1 962761992 IQDXNGPLHQJMTK-DNVCBOLYSA-N 459.251 3.799 50 1 JHGF CCOC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587539207 UWHYKVXHUNRRMC-LAUBAEHRSA-N 474.263 3.809 50 1 JHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(CC(=O)N2CCOCC2)s1 587614879 VMPWUFAOZZFWBP-RDGATRHJSA-N 499.972 3.951 50 1 JHGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189508 WXDBDWJJBYKTSU-IJJSKAQYSA-N 472.685 3.890 50 1 JHGF CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2ccccc21 1857620823 MZKVKTMKPZKPPZ-HHHXNRCGSA-N 463.449 3.514 50 1 JHGF O=C(C(=C1N(Cc2ccc(Cl)nc2)CCN1Cc1ccc(Cl)nc1)[N+](=O)[O-])C(Cl)Cl 100548848 NDLFQDKIDJREOU-UHFFFAOYSA-N 491.162 3.920 50 3 JHGF COC(=O)[C@H]1CCCC[C@H]1NNC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(=N)N)cc12 28343743 CCWMWRRLZHZSIW-CZTZKLFOSA-N 478.618 3.864 50 1 JHGF COC(=O)N/N=C(\C)[C@@H](CN1CCOCC1)[C@H](c1ccccc1)c1cc2ccccc2oc1=O 38807367 PGQGAVVWIXPQMZ-NHDDBYMISA-N 463.534 3.605 50 1 JHGF Cc1c(C(=O)NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203930 JCPSVNBTGSVKFN-GFCCVEGCSA-N 456.455 3.721 50 1 JHGF CS(=O)(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609401 VJBJDKMITCJPAT-KNQAVFIVSA-N 493.990 3.641 50 1 JHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CBr)(c2ccccc2)N1 587674194 UKEFPPSGYLJYHJ-HXPMCKFVSA-N 470.180 3.877 50 1 JHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(N1)c1ccccc1OC[C@H]2Br 962641635 YAWAPKWCAJEBSP-YXJHDRRASA-N 458.230 3.584 50 1 JHGF COc1ccc2c(c1OC)[C@](CBr)([C@H]1CCOC1)N(C(=O)c1ccccc1N)CC2 963144908 VWPXKHNJNDZURY-HJPURHCSSA-N 475.383 3.611 50 1 JHGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NN=C1C(=O)Nc3ccc(Br)cc31)O2 1911570686 KINYPKVWYSVRRT-QFIPXVFZSA-N 472.339 3.636 50 1 JHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)[C@@H]1CCCN1C(=O)C(F)(F)F 587544516 FENYGKMJYZWJFW-TWOQFEAHSA-N 455.816 3.885 50 1 JHGF CCC[C@H](C[C@H](O)C(Br)Br)OC(=O)C(Br)Br 2356802719 SPQANOSXHQDVEP-RITPCOANSA-N 489.824 3.681 50 1 JHGF C#CCN(N=O)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 17197337 HYLVZGGUGPQKBU-JOCHJYFZSA-N 480.521 3.521 50 1 JHGF O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)N=C[C@H]2Cl)c1ccc(-n2ccccc2=O)cc1 100070621 FMRBJGZPJCJNLN-BHIFYINESA-N 474.948 3.914 50 1 JHGF NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=C[C@H](F)[C@H](Cl)C=C4)c3)ncnc12 166948779 RKZPJUYYKFXMLU-MOPGFXCFSA-N 451.889 3.721 50 1 JHGF CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)cc1 1857621325 MNSPKOTWEZIXHC-LKUDQCMESA-N 469.950 3.951 50 1 JHGF O=C(C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CC(=O)N2CCc3ccccc3[C@H]2C1 49802252 QUGWQEXOEGIEED-ZRTQOLTFSA-N 492.616 3.972 50 1 JHGF CC1(C)O[C@]2(C=C3[C@H](CC[C@]45C[C@]34C(=O)O[C@@H]5c3ccoc3)OO2)C[C@@H]1[C@]1(C)C=CC(=O)O1 238761917 KQCXXFDXAPESMC-JAEOJMDRSA-N 454.475 3.688 50 1 JHGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 618007594 BIXGLWMYVXGXOX-UHFFFAOYSA-N 464.484 3.905 50 1 JHGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cc(C)c(C)cc12 1857557228 YTYYDZVJOUUOEG-QFIPXVFZSA-N 470.558 3.852 50 1 JHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCNC(=O)Nc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98084944 VJKHUMVJBWJRCC-IEVQEGADSA-N 491.541 3.941 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CBr)(c2ccccc2)N1 587671927 BLGUBAYDGWOFHM-BUXKBTBVSA-N 470.180 3.877 50 1 JHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCNS(C)(=O)=O)s2)N1 587840715 MRHOWODOQUENEX-ADLMAVQZSA-N 495.867 3.758 50 1 JHGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H]1CC=C[C@@H](C3=O)[C@@]412 2356360235 AUOJMECYGGZYNA-YEBWICARSA-N 461.697 3.890 50 1 JHGF O=C(NNC(=O)C(F)(F)[C@@H](O)c1ccncc1)N1Cc2ccccc2Oc2ccc(Cl)cc21 13903059 GTIRMYPHIMCURB-IBGZPJMESA-N 474.851 3.957 50 1 JHGF COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497463 CIVDSBOMPWXPCM-GMAHTHKFSA-N 457.320 3.932 50 1 JHGF CC=C(C)C(=O)O[C@@H]1[C@H](C)[C@@]2(O)[C@H](C=C(C=O)C[C@H]3C(=O)C(C)=C[C@H]32)[C@H]2C(C)(C)[C@@]21OC(=O)C(C)C 2356712062 OBNLKIYUNMSGTC-CSTMVIFGSA-N 498.616 3.746 50 1 JHGF O=C(NN/C=C1\C(=O)N2C=CC=CC2=NC1=Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 263590627 CZNKMONRPVHISG-OZGJTJQNSA-N 496.405 3.786 50 3 JHGF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@@H](Br)[C@H]1CC[C@@]2(C)[C@@]1(C)CS(=O)(=O)ON 963235017 FFNCRUVJUMVNQN-BSFDQTSGSA-N 485.488 3.958 50 1 JHGF O=C(N/N=C\c1ccc(OC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 33412614 WQLFBMXATDXIJJ-UUYOSTAYSA-N 451.476 3.914 50 1 JHGF Cc1c(F)ccc2c1[C@@]1(NCC2)[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 962148829 VFUYYMQCFITPPQ-ABGSCLEMSA-N 469.192 3.713 50 1 JHGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc21 962975636 XZCLBAUEZFFCTL-BTYIYWSLSA-N 455.288 3.929 50 1 JHGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)C(=O)C(=O)OC)CC2=O 587453961 SZDDOYDSZREVLJ-RBBKRZOGSA-N 461.308 3.711 50 1 JHGF OB(O)c1cc(OCc2ccccc2)ccc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955983 NWJJZVHWAWBTHN-VWLOTQADSA-N 497.322 3.705 50 1 JHGF COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3cccc(C)c3)cn(C3CC3)c12 64559232 SCRIEZDDSGFEQR-UHFFFAOYSA-N 458.490 3.563 50 1 JHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)c2ncccc2c1 1857633630 GZQUEQNNNPUORT-SYJIQKIWSA-N 491.548 3.597 50 1 JHGF C#CCN(N=O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5722703 HYLVZGGUGPQKBU-QFIPXVFZSA-N 480.521 3.521 50 1 JHGF C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)NN 587341234 YAHWVSJFGVDLQI-YNLFQQRNSA-N 450.466 3.563 50 1 JHGF O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2356732467 RAQQAYSKOLXPNE-FYEJASGKSA-N 495.576 3.863 50 1 JHGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCCCCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13676793 KJLSCXWRGNSNDI-AYKLPDECSA-N 492.484 3.670 50 1 JHGF CC/C(Br)=C/C=C\[C@@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 225653182 UTNSPXWSOISNAK-JTYRJCLRSA-N 487.026 3.938 50 1 JHGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853111 KUNFDAYWQUUPJS-YPMLDQLKSA-N 460.800 3.876 50 1 JHGF N=C(N)c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1 603794 CEAMGXQGUYMUIE-UHFFFAOYSA-N 479.606 3.815 50 1 JHGF in-vivo C=CCc1ccccc1OC[C@H](O)CNC(C)(C)C1CCC(C)(NC(=O)CBr)CC1 29413174 GXGOSIPJZRPYAZ-ITGJCUMNSA-N 481.475 3.983 50 1 JHGF C#C[C@H](Br)[C@H]1C[C@H]2O[C@]3(C[C@H]2O1)O[C@H]([C@H](Br)CC)C[C@@H]3Br 145319514 ZDAHHEMGBUAIGE-AUBMDOSISA-N 487.026 3.752 50 1 JHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 299804749 WWDZEXIJJNQHFV-XPXAUWAFSA-N 452.950 3.665 50 1 JHGF O=C(CBr)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538899 RYXNPSSEQLQIKT-OFNKIYASSA-N 468.303 3.760 50 1 JHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C(N)=O)c2)N1 587672646 GUKFQMJWYPGCFX-YYSFKGJASA-N 472.152 3.565 50 1 JHGF O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 2356732468 RAQQAYSKOLXPNE-PPWDSJTCSA-N 495.576 3.863 50 1 JHGF N#CC1=C(C#N)[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2cccc(N)c2C1=O 962963769 YZWUNGWLNKPDFA-XMMPIXPASA-N 464.447 3.723 50 1 JHGF