smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587703945 HXQCIUWTNWEYCH-OUNZRGQNSA-N 428.651 4.467 50 1 IIGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)o1 1772607603 XJQBKVOIVAFNBN-ZVHZXABRSA-N 443.419 4.084 50 1 IIGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(C(=O)NC2CCCCC2)c1 1857563574 VTOYSXCLBLCJHQ-LGUFXXKBSA-N 425.916 4.188 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(O)cc1 587537319 CUAIMMFURVPPCS-GHTZIAJQSA-N 427.250 4.350 50 1 IIGF COc1cc2c(c(OC)c1C(Br)Br)C(=O)c1ccccc1C2=O 98085545 DZZHCWHSPZSGIU-UHFFFAOYSA-N 440.087 4.268 50 1 IIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2CCCCl 148244829 PACSAYNXHRWUOO-YVSFHVDLSA-N 447.744 4.030 50 1 IIGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1 195206580 YEXYQKWDNLBGGE-NRFANRHFSA-N 440.349 4.219 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587682158 BNUAIYAASGPFMR-UGZDLDLSSA-N 443.744 4.336 50 1 IIGF CC(C)(Cl)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(N=C=S)[C@@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)O1 2356545187 NZJBVTRZEMHWOO-CTHUFFSTSA-N 443.053 4.105 50 1 IIGF CCc1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248293 WOVHNNXGMJZBIM-MTDXEUNCSA-N 449.986 4.113 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2O)N1 587673914 RKYVUFBTGYKOLW-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587687327 ZYOYUNZLGAKBFE-YUNKPMOVSA-N 439.756 4.023 50 1 IIGF COc1ccc([C@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962731758 UGYOJFXMLSXSGT-YJBOKZPZSA-N 446.238 4.119 50 1 IIGF [C-]#[N+]/C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1F)C(=O)N(C)C 1772655530 KEMXNWSAWAIVGM-RQZCQDPDSA-N 434.475 4.418 50 1 IIGF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)CBr 587620718 FMUXXHHJRAEIKS-UHFFFAOYSA-N 428.128 4.438 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)c(F)c1 587894441 KFZVVOBAZKSARW-UHFFFAOYSA-N 427.690 4.020 50 1 IIGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccccc1 95596104 CXEDTQSCJALFCZ-XXJLXKPQSA-N 442.520 4.358 50 1 IIGF C[C@H](Oc1ccc(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)C(=O)O 103180551 QCCZQHVPNNVIBT-YXEWBSTKSA-N 448.512 4.125 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614853 VLRBXFWUKNXRTN-UGKGYDQZSA-N 443.908 4.186 50 1 IIGF Cc1cc(/C=C(\C#N)c2nc3c(O)nc(N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057089 UCIPYRYSRGBUMU-KPKJPENVSA-N 440.294 4.419 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CCC)[C@H](Br)[C@@H]1Cl)OC(C)=O 2356545767 ZISJSYRNBYDCQF-FHULIHMCSA-N 426.178 4.434 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587009561 LGYINTWHVPQSCV-IBGZPJMESA-N 436.878 4.008 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(O)c2)N1 587673582 ONLFFCJRCLXMCI-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF C/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@@H]2C[C@@H](Cl)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C 44220994 NUVPMECBNLBBBB-RGIDNKBKSA-N 439.036 4.233 50 1 IIGF CN(C)CCSSCCC(=O)NCc1ccccc1Sc1ccccc1CO 618007543 CNVSGIUBCSIISS-UHFFFAOYSA-N 436.668 4.279 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 587685411 QISVHNZKLIUMSA-XTZNXHDOSA-N 426.717 4.095 50 1 IIGF COc1ccc(/C=C2\CN(C(=O)C(Cl)Cl)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 1911573202 GLRGDJDDGNEWNR-JYFOCSDGSA-N 446.330 4.386 50 1 IIGF O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccco1 15986639 JHVTUHIKNZHLPF-QRVIBDJDSA-N 437.912 4.423 50 1 IIGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1ccccn1)[C@@]2(C)Br 195288495 GWMJXQKGFJSHTF-YAHJCKLWSA-N 439.350 4.219 50 1 IIGF N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606285 GVDPOTKGTBXWLO-SIKLNZKXSA-N 434.429 4.372 50 1 IIGF C[C@@]1(c2cccc3nc(CCl)oc23)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647674 YFSHOZGADOZSMV-DNVCBOLYSA-N 440.805 4.328 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587683241 GAEPSXDXLNNNIL-PRWKNARSSA-N 437.740 4.490 50 1 IIGF C[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CBr 2356495393 QJSUZHISHKPESJ-YBYCSUEDSA-N 427.423 4.331 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(CCl)c1O 587549223 YTYLMRKVIBMDJY-UWJYYQICSA-N 427.796 4.448 50 1 IIGF CS(=O)(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533319 SKNXPAWJEQSZHP-RTWAWAEBSA-N 449.366 4.192 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 587683948 IPLAQRUTLSOFGA-RBZFPXEDSA-N 449.755 4.494 50 1 IIGF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356434253 JRFQTWCRCSYLPZ-AJBKMYRLSA-N 434.532 4.471 50 1 IIGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 58482434 LFOHARSFANBVRQ-WNGCJKCESA-N 436.434 4.369 50 1 IIGF O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@H](CCl)c2c1cc(O)c1ccccc21 72110411 UEMUGINVCBKCRH-HNNXBMFYSA-N 436.895 4.381 50 1 IIGF C[C@H](C[C@@H]1[C@H](O)C(C)(C)C(=O)N1C(=O)C[C@@H](C)C(Cl)(Cl)Cl)C(Cl)Cl 85662461 WPKBEZAKAOZZQJ-CDLYGTGVSA-N 441.610 4.337 50 1 IIGF biogenic CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572594 SNHKJRATAZAYJB-SQTDXIJDSA-N 430.435 4.357 50 1 IIGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(O)cc4O)sc3c2)CC1 299833761 ZNAAZPHOQXXOJZ-FSJBWODESA-N 439.541 4.095 50 1 IIGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688643 MTVCSFRBXYNQOL-JVMOKEISSA-N 426.713 4.471 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccn(C)c32)cc(Br)c1OC 40614014 SNKICQQKZKOWSH-KRWDZBQOSA-N 440.297 4.176 50 1 IIGF N#CC(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962769339 SABJBMCCXWCULG-FXAWDEMLSA-N 432.833 4.039 50 1 IIGF Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OCCO)ccc2[nH]1 72108571 LTEZZQWNBHMMAS-HNNXBMFYSA-N 435.911 4.257 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587682156 BNUAIYAASGPFMR-AYLIAGHASA-N 443.744 4.336 50 1 IIGF C[C@@H](Oc1ccc(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)C(=O)O 103180555 QCCZQHVPNNVIBT-LNEVKRTPSA-N 448.512 4.125 50 1 IIGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)CC(=O)O)CC2=O 587450701 HJKGTROHHGAGBL-WIYYLYMNSA-N 433.298 4.444 50 1 IIGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C)[C@H](C)C2 962568755 LFYGESSSAAZAAM-WHEFHEQHSA-N 442.987 4.360 50 1 IIGF N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606275 GVDPOTKGTBXWLO-DENIHFKCSA-N 434.429 4.372 50 1 IIGF COc1ccc(-c2ccc(F)cc2F)cc1C(=O)NCCSSCCN(C)C 621477305 BNYSUKQRFDXYTG-UHFFFAOYSA-N 426.554 4.313 50 1 IIGF COc1ccc([C@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962731757 UGYOJFXMLSXSGT-QAPCUYQASA-N 446.238 4.119 50 1 IIGF CN1C(=O)CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587541477 BWXCFAFFHWYGRK-RCZVLFRGSA-N 449.890 4.397 50 1 IIGF COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 13837094 MUXRJLRPFWRNBH-BFFDIYQRSA-N 438.992 4.322 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587688590 MIVLRBJBGYZUMG-QQKBFRNYSA-N 443.744 4.222 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)c(O)cc1F)CC2=O 587465058 FVUUGIVPSNFPQI-FQEVSTJZSA-N 439.277 4.454 50 1 IIGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237190 WWAHSICWKIDMSH-BJWLPLICSA-N 447.279 4.139 50 1 IIGF COc1cc([C@H]2[C@@H](Cl)C(=O)N2Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 1772648612 HAWOKTVBTNWRMU-MOPGFXCFSA-N 448.306 4.432 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(F)cc(-c3cccc(CC(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772649864 CDHQAOOWCWLBPA-VWLOTQADSA-N 446.482 4.180 50 1 IIGF O=C(CCl)NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379661 ZFZQTNXBEZDGJU-UNMCSNQZSA-N 445.899 4.202 50 1 IIGF CCOC(=O)c1c2ccc(OCC(=O)N/N=C\c3ccc(C)cc3)cc2n2ccccc12 33337086 ULGZIELJJFJICI-YSMPRRRNSA-N 429.476 4.107 50 1 IIGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326446 LMPIFLWLYXRFTC-DENIHFKCSA-N 429.831 4.025 50 1 IIGF CC(C)OC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CCl)cc2)cc1 197952778 HSWKCZDEPXFBGJ-RTWAWAEBSA-N 436.976 4.156 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 587706224 PKMUZPLGQGZZQU-GUGWIMGPSA-N 428.651 4.467 50 1 IIGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236967 TVUCRRUFZGXKKY-ZWPURAAJSA-N 447.279 4.139 50 1 IIGF COc1ccc(/C(C)=N/NC(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 17213004 SUHGVDRUULOBLM-ZXVVBBHZSA-N 443.503 4.108 50 1 IIGF COC(=O)[C@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCCl 253688020 PACSAYNXHRWUOO-TWMKSMIVSA-N 447.744 4.030 50 1 IIGF COC(=O)c1ccc(CO[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 43242427 LMZFUTLREPSZGJ-NKBQRIFNSA-N 432.513 4.198 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)[C@@H](C2)C3=O 587449700 GNZRNQMIQPARBV-OYHNWAKOSA-N 433.957 4.301 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 587703944 HXQCIUWTNWEYCH-LNSLMCEBSA-N 428.651 4.467 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OC)s1)CC2=O 587492913 DBPDJEDPJJYMCI-IBGZPJMESA-N 439.327 4.448 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 587703859 HPBRGDJMYXATFO-DUZMKWQQSA-N 432.259 4.405 50 1 IIGF N#C/C(=C\c1ccccc1)C(=O)OC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477614 PLAYRDMHHLDUQF-PQFHHTBUSA-N 431.467 4.310 50 1 IIGF O=C(N/N=C/c1cccc(OCc2ccccc2C(F)(F)F)c1)c1cc(O)c(O)c(O)c1 653862859 PUMOQUPGLKIUGL-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236964 TVUCRRUFZGXKKY-BJUBFADDSA-N 447.279 4.139 50 1 IIGF C[C@@H]1C=CC[C@@H]2O[C@@H]2C[C@@H](Cl)[C@H]2C[C@@H](O1)[C@@H](C(Br)=CBr)O2 2356473681 NRMNKXJIZZEMND-MTNRZVOKSA-N 442.575 4.274 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@](C)([C@H](Br)Cc1ccc(F)cc1F)NCC2 962922775 HMWTUEANFGVUMK-TZIWHRDSSA-N 437.328 4.034 50 1 IIGF O=C(O)CN(/N=C/c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl 49045725 HHHUDHYQFQBYIZ-AFUMVMLFSA-N 437.883 4.159 50 1 IIGF in-vitro C=C(C)[C@H](CCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@H]3O2)O1)OO 2356335457 AFCSVFPVLSEQQA-UWMZSFRMSA-N 430.541 4.432 50 1 IIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 58591426 ZLTKDNJNPJOKGY-JWGURIENSA-N 427.460 4.037 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl 2356565782 KWJJPEZBNLGOFB-XPGFSTMJSA-N 448.943 4.220 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)O2 587373691 MYORBAVBMBHEJR-LPHOPBHVSA-N 438.705 4.330 50 1 IIGF COc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1CCl 962623594 BQTVDCDLHDVVLY-AUUYWEPGSA-N 429.822 4.195 50 1 IIGF CCOC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(CC)c1C 587416926 GHUAAUYSHKLINA-MWTRTKDXSA-N 431.916 4.192 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)CC2=O 587488376 QKCKRPLREJJTRN-YEJXKQKISA-N 437.945 4.204 50 1 IIGF CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1 33323471 ZCOCFRDIOWPFCZ-OYKKKHCWSA-N 438.505 4.204 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(O)c1 587538054 MODKMHHSYJDRBQ-RXVVDRJESA-N 427.250 4.350 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546824 YBVJXGKVUYTFEH-BSRJHKFKSA-N 445.899 4.341 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587687306 ZVZDAHPOHHYKMA-ODXCJYRJSA-N 437.740 4.124 50 1 IIGF O=C(Oc1ccccc1I)c1cc2cc(CCl)ccc2oc1=O 13676412 HAQYMJJMBINYSU-UHFFFAOYSA-N 440.620 4.356 50 1 IIGF Cc1cccc2c1[C@@](CCl)(c1ccn(C)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903814 HQKWBRDTYJIAOH-WZONZLPQSA-N 432.948 4.452 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[C@H]3Oc4cccc(O)c4O3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158717 VXYQFEXWPRANBG-ZJMNCFATSA-N 448.512 4.104 50 1 IIGF O=C(COc1ccccc1Cl)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285281 IKTKDMYIWKYBTE-UHFFFAOYSA-N 425.941 4.081 50 1 IIGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccccc1 170101002 QCMOMEOGDAWUFS-XMMPIXPASA-N 444.340 4.124 50 1 IIGF CC1(C)[C@H](Br)CC[C@@](C)(O)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 238751611 XFLNVXKHCNDMKZ-DHIIWHAXSA-N 432.624 4.223 50 1 IIGF C=C(C)[C@@H](CC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)OO 299824221 AFCSVFPVLSEQQA-PHNSNYLUSA-N 430.541 4.432 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587843773 JISUVDMCTXTFJO-ZMZPIMSZSA-N 436.306 4.488 50 1 IIGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(-c4ccc(CO)cc4)c3CC[C@H]12 1911574321 SVPMWWDMVSNFNX-KRLBWHOLSA-N 436.515 4.187 50 1 IIGF O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26165184 PNFMXOZDPUNHNN-ISRMBQKOSA-N 440.327 4.299 50 1 IIGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc3c(c2)OCCO3)c1 38145393 ZNNZRLKSXRRIAG-KBICDOOXSA-N 431.517 4.065 50 1 IIGF C[C@@]1(CC(=O)NCc2cccc(I)c2)CC2(CCCCC2)OO1 49680266 VSTFDSGFNLEVCK-QGZVFWFLSA-N 429.298 4.111 50 1 IIGF C[C@H]1/C=C/C[C@@H]2O[C@@H]2C[C@@H](Cl)[C@H]2C[C@H](O1)[C@@H](/C(Br)=C/Br)O2 140462820 NRMNKXJIZZEMND-VSPHBBFMSA-N 442.575 4.274 50 1 IIGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 40368854 LFOHARSFANBVRQ-UCKAWJCSSA-N 436.434 4.369 50 1 IIGF NNC(=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082985 XZOMKESNTGOZKV-UHFFFAOYSA-N 429.867 4.408 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 587685251 OUYLAFHDGVIHKQ-RNODOKPDSA-N 439.756 4.111 50 1 IIGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 962714862 WATQESLAETUONK-OAHLLOKOSA-N 437.256 4.481 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(Br)c1OC 40762249 RFVNLXAKNGXLLP-SFHVURJKSA-N 438.281 4.233 50 1 IIGF COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nn2Cc2ccc(Cl)nc2)cc1 40846407 RHXFXWDELGMTAZ-JFLMPSFJSA-N 445.910 4.419 50 1 IIGF COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(C#N)cc2)cc1 40875907 XXZRCNKKWKFDHQ-GWHCBLLMSA-N 447.498 4.443 50 1 IIGF CC(C)(F)[C@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 587087526 RGYBKVMGZCREDV-SSDOTTSWSA-N 432.462 4.400 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424633 QNFGXMSKKMGILE-ASCAZGACSA-N 449.169 4.429 50 1 IIGF COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n(Cc3ccccc3)n2)cc1 40380590 XQCISGHMXIYFAN-WGOQTCKBSA-N 426.476 4.077 50 1 IIGF COc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 102089135 IQFLGGBTHYBPQR-CENATWARSA-N 441.528 4.334 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(C#N)=C\N(C)C)(C(F)(F)F)N1 587705032 KPQQWQBDFZVWOT-TVBCEGRZSA-N 432.259 4.405 50 1 IIGF O=C(N/N=C/c1cccc(OCc2ccccc2C(F)(F)F)c1)c1cc(O)cc(O)c1 653890185 BBOQBAJIHZMURB-RPPGKUMJSA-N 430.382 4.460 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CCC)[C@@H](Br)[C@H]1Cl)OC(C)=O 2356545766 ZISJSYRNBYDCQF-DBWAAGBOSA-N 426.178 4.434 50 1 IIGF N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606286 GVDPOTKGTBXWLO-UGKGYDQZSA-N 434.429 4.372 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 587727220 BBFFIRZTTBSNOM-XDTBSMBKSA-N 432.312 4.474 50 1 IIGF FC(F)(F)COc1cccc([C@@]2(CBr)NCCc3nc4ccccn4c32)c1 962980159 BVXOQVCEZUZKSI-GOSISDBHSA-N 440.263 4.060 50 1 IIGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCC[C@@H]2CCBr 963156245 ZKGLNRFBXRAFNB-YNKQFZHNSA-N 445.379 4.170 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=C[C@H](C)C[C@H](C)CC)CC[C@H]2C(=O)O 2356388280 YWSUKYNHOWEDJX-JNDFUEEQSA-N 430.541 4.298 50 1 IIGF O=C=Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878680 OZYOFHSAGOXECN-UHFFFAOYSA-N 438.108 4.434 50 1 IIGF COc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1CCl 962623622 BQTVDCDLHDVVLY-KUHUBIRLSA-N 429.822 4.195 50 1 IIGF C[C@]1(c2cccc3nc(CCl)oc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962630731 FOZYHVPSWYAIHU-DNQXCXABSA-N 435.911 4.477 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)OCCO3)CC2=O 587456350 NNPGPMQFTXQVNP-NRFANRHFSA-N 433.298 4.372 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 587849593 UITJRMKGAUCXSZ-XLFHBGCDSA-N 432.742 4.293 50 1 IIGF C[C@@]1(c2ccc(-c3ccc(B(O)O)cc3)cc2)c2ccsc2CCN1Cc1ccco1 962703477 BXHUBOUTIAXRFM-RUZDIDTESA-N 429.350 4.010 50 1 IIGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(CF)cc1 1857609258 JYPZPNHHBKRMEY-UFWORHAWSA-N 430.071 4.151 50 1 IIGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 1911573250 JZVYENMHFKTIJY-FOQJLKNUSA-N 447.435 4.316 50 1 IIGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(NC=O)[C@@H](O)[C@@H]32)CC[C@@H]1Cl 2356414079 OTGGVCSATLYICT-DGUAWOKISA-N 443.053 4.105 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2)N1 587673132 KNCCNZFARDGQQX-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF N=C(CCl)NCCC[C@@H]1NC(=O)N(Cc2ccc(-c3ccccc3Cl)cc2)C1=O 1857656921 LSNAUHNJCBRBES-SFHVURJKSA-N 433.339 4.013 50 1 IIGF C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84653713 HNDLKCHJELJZRT-XXBNENTESA-N 426.396 4.086 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cc2noc(CCl)n2)cc1 587884077 FDUINRRXYMJKRK-UHFFFAOYSA-N 448.737 4.416 50 1 IIGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@H](O)[C@@H]32)CC[C@@H]1Cl 2356414081 OTGGVCSATLYICT-JBOZVZHXSA-N 443.053 4.105 50 1 IIGF C#C/C=C/C[C@@H](Cl)[C@H](C[C@H]1O[C@@H](CCC)[C@H](Br)[C@H]1Cl)OC(C)=O 95909815 ZISJSYRNBYDCQF-ZPSRKWADSA-N 426.178 4.434 50 1 IIGF biogenic,in-vitro O=C1c2ccc(O)cc2O[C@@](CCl)(Cn2nnc3ccccc32)[C@H]1c1ccc(F)cc1 587330014 ZNYWYKGKPJASGS-GMAHTHKFSA-N 437.858 4.313 50 1 IIGF Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2Cl 1772579446 UFJJQNQMSPBYPJ-LJQANCHMSA-N 444.938 4.328 50 1 IIGF CN(C)/C=C(\C#N)Oc1cc(F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894052 QJDHPHXCLJDGFR-XMHGGMMESA-N 446.309 4.148 50 1 IIGF CN(C)CCSSCCCNC(=O)[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 618009574 ZYSUVAGFPMGVEB-SFHVURJKSA-N 441.663 4.044 50 1 IIGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc1 474603515 CKAWWYUQUJZZEH-VEIXCPQQSA-N 433.851 4.008 50 1 IIGF Cc1c(O)ccc2c1[C@@](CCCCCCl)(c1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)C2 963512619 XNBSKYKYMQYMEI-PGRDOPGGSA-N 432.904 4.251 50 1 IIGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587407567 ARXNZZQJOXEFFS-QFIPXVFZSA-N 444.940 4.024 50 1 IIGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587948646 HEPZHFCMYIMADO-ULYRPOKDSA-N 434.540 4.451 50 1 IIGF COc1cc(/C=N/N(C)C(=O)CSc2cc(C)nc3ccccc23)cc(OC)c1OC 72109268 XOGNRAFJUFXOFP-ZMOGYAJESA-N 439.537 4.154 50 1 IIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCC(=O)NCc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101917948 BHEURBJFAOJJHD-VWHLPZOASA-N 429.557 4.334 50 1 IIGF ClC1CCN(c2ccnc(Nc3ccc(OCCCN4CCSCC4)cc3)n2)CC1 1857598168 OAOFIRLXMHCREE-UHFFFAOYSA-N 448.036 4.246 50 1 IIGF CCOc1cc(/C=N/N2C(=O)C(C#N)=CC23c2ccccc2Nc2ccccc23)ccc1O 1857764517 UMDSEHGIYIDVEP-LQKURTRISA-N 436.471 4.418 50 1 IIGF CN(C)CCSSCCCNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 618008727 KCNGWZFODZHSRT-UHFFFAOYSA-N 427.636 4.121 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2O)N1 587671990 CHCVBPATCHQSSW-BMLIUANNSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 587687214 ZDFXLVHTAHNDAE-WYRIXSBYSA-N 426.713 4.376 50 1 IIGF N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 98082107 CTHWWZOUKOEZSB-OAHLLOKOSA-N 445.332 4.157 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)CC2=O 587461872 UTDWIVMQIJTNLP-JOCHJYFZSA-N 431.872 4.131 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl 49114313 KWJJPEZBNLGOFB-RNNQDMPLSA-N 448.943 4.220 50 1 IIGF NC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587375664 NMRRQNMEZSPPBF-WIYYLYMNSA-N 431.872 4.185 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(-c3cccc(CC(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772649858 CDHQAOOWCWLBPA-RUZDIDTESA-N 446.482 4.180 50 1 IIGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 474609340 PPXORUJNSMEUTK-NUQVLIHRSA-N 433.851 4.008 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 587687204 YFVRMIYKCLDPDX-SWXJFYGISA-N 433.159 4.470 50 1 IIGF COC(=O)c1cccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689958 XZSBFQPENUYPFR-WYRIXSBYSA-N 426.713 4.391 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(C#N)=C\N(C)C)(C(F)(F)F)N1 587705026 KPQQWQBDFZVWOT-JSUVLYIYSA-N 432.259 4.405 50 1 IIGF COc1cccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccccc4OC)o3)cc2)c1 1772575716 RPQBISJSVIHFDN-MFKUBSTISA-N 428.448 4.185 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)CCCC)CC[C@@H]2C(=O)O 2356433773 UIXJDFDDMXCJCT-OPMJSYJTSA-N 430.541 4.442 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1OC 34894444 ZQNNHAWSCLTIPN-QGZVFWFLSA-N 426.270 4.166 50 1 IIGF COC(=O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612222 IXIZIRKHXPNRGJ-UGKGYDQZSA-N 444.892 4.265 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(C(F)(F)F)N1 963188017 UINDZDMGKKQTAD-ONGXEEELSA-N 440.565 4.110 50 1 IIGF CC(C)CN(NC(=O)c1cc2ccccc2s1)c1nc(C#N)ncc1Br 58592386 AIBMJCAFYVVHBP-UHFFFAOYSA-N 430.331 4.133 50 1 IIGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](NC=O)[C@@H]32)CC[C@@H]1Cl 200381797 JJCHVOBKBZMVBH-QJUHQHJTSA-N 443.053 4.105 50 1 IIGF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCC[C@@H]3Cl 206138107 HUXQSDVMBNLXGQ-GOEBONIOSA-N 428.876 4.193 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587687059 YPJXDZYCXXIZEW-GIGQVBGESA-N 439.712 4.050 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587834706 RYCBQNUAAXGGNT-RCDICMHDSA-N 444.300 4.489 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(F)nc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473118004 JTDIEPHBGJMOSF-JWLLMUSHSA-N 431.504 4.187 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 587682024 BCGVMEDEKITQGQ-LZVRBXCZSA-N 425.685 4.452 50 1 IIGF O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(O)c(O)c(O)c1 653865348 MVBQXOONTVCICP-VULFUBBASA-N 428.444 4.300 50 1 IIGF C[C@H](CO)[C@@H]1OC(C)(C)O[C@@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356762675 MKPDEFGGEITRIH-SEIBCYHCSA-N 442.672 4.102 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587685246 OUBJAOXBGPCJTP-FKIZINRSSA-N 439.756 4.023 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587705011 KKZPEEWJROHUER-JKNGDPHESA-N 428.651 4.467 50 1 IIGF COc1ccc2c(c1OC)[C@@H]([C@H](Br)C(C)C)N(C(=O)c1ccccc1N)CC2 963155553 HWJXYJLFFXPKKZ-UXHICEINSA-N 447.373 4.445 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=C[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 2356388279 YWSUKYNHOWEDJX-DZXVLBAMSA-N 430.541 4.298 50 1 IIGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236966 TVUCRRUFZGXKKY-MPZARTNMSA-N 447.279 4.139 50 1 IIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C 34802464 CBURXTDMVDBODC-FBNDGMMSSA-N 437.521 4.006 50 1 IIGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)cc1OC 587878338 YIQJXSLORKKGPX-UHFFFAOYSA-N 426.727 4.460 50 1 IIGF N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 40461339 RWCJRBAJVHXDSS-QFIPXVFZSA-N 425.400 4.156 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)CCC[C@@H]1C(=O)OCC 587460090 RKPNREVEEADXAD-LIVBEALHSA-N 425.319 4.175 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c3c(cccc3c1)C(=O)OC2=O 587886941 WMDKXSHOGXUNKO-UHFFFAOYSA-N 438.266 4.168 50 1 IIGF CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C\C(C)(C)OO)C1 238789856 WTBRDXOTECDHCP-STMQGAAJSA-N 430.541 4.432 50 1 IIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587457876 CRKKBNYRYNTTIW-PUZMVAROSA-N 437.330 4.333 50 1 IIGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1cccc(Br)c1)NCC2 962917089 ZBVLHPDKIPMOTE-QGZVFWFLSA-N 427.184 4.090 50 1 IIGF COc1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C 33333547 TXOLTAWOEMUYSV-DICXZTSXSA-N 448.567 4.383 50 3 IIGF CCOC(=O)CC[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CCC(=O)OCC)OO2 43706556 QYDAFWHVLUNFFB-OTXOEQGISA-N 428.522 4.356 50 1 IIGF CCOC(=O)C1([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587672011 CIVDVIOMCMTEEA-QGHHPUGFSA-N 449.158 4.056 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C(=O)OC)c1)CC2=O 587455965 IAZNBDYLGHPECK-NRFANRHFSA-N 433.298 4.387 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 587687285 ZPHYWMGMNSISJF-LDLUMPKVSA-N 435.765 4.470 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587687307 ZVZDAHPOHHYKMA-YUNKPMOVSA-N 437.740 4.124 50 1 IIGF CCCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCOCC1 13675549 MBCYTCXZHMTKRJ-HXUWFJFHSA-N 442.947 4.205 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614851 VLRBXFWUKNXRTN-KNQAVFIVSA-N 443.908 4.186 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2O)N1 587672696 HCTAZKJYLDYBRA-XLFHBGCDSA-N 445.126 4.172 50 1 IIGF CN(C)CCSSCCCNC(=O)[C@@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 618009572 ZYSUVAGFPMGVEB-GOSISDBHSA-N 441.663 4.044 50 1 IIGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Br)cc1 1772608736 BDUZYZFNSIKKIF-GOSISDBHSA-N 444.292 4.346 50 1 IIGF COc1ccc2c([C@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@@H](c3ccccc3)C4)cc(=O)oc2c1 95563493 KAHRTKLBPZHKNV-MYYSRTQBSA-N 440.455 4.010 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 587846571 ICLYVFRJVUBCBP-VVVCHXIZSA-N 432.742 4.293 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(Cc4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66112273 GXYAXTBLCQJRNE-RUSMICDBSA-N 442.600 4.012 50 1 IIGF COc1ccnc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587673190 LESZSMKMOFZMRO-BTDLBPIBSA-N 444.142 4.165 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587687057 YPJXDZYCXXIZEW-APBUJDDRSA-N 439.712 4.050 50 1 IIGF COc1cc2c(cc1OC)[C@]1(C(=O)[C@]3(C)CC[C@H]1[C@@]3(C)CBr)N(C)[C@H](C)C2 962619756 GENMREISWPWZGS-XFFQVUPRSA-N 436.390 4.176 50 1 IIGF CCOC(=O)[C@@]1(CCCCCCCl)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983750 ZHRFCGXRLQVRPO-KUHUBIRLSA-N 438.298 4.165 50 1 IIGF COc1ccc2[nH]cc(/C=N\NC(=O)c3cn(C)c4ccc(Br)cc34)c2c1 1857582952 ZGWALWSNZRJOHN-RMORIDSASA-N 425.286 4.195 50 1 IIGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC(C)=C[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 2356653087 AFLWRLGQCCNPSX-BTVHKFPCSA-N 428.525 4.218 50 1 IIGF O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 72110410 UEMUGINVCBKCRH-OAHLLOKOSA-N 436.895 4.381 50 1 IIGF COC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587327794 RPMNQYIBLZHEHK-UGKGYDQZSA-N 430.815 4.404 50 1 IIGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 1857574979 CEMHYCNJXWRLQH-CABCVRRESA-N 437.308 4.186 50 1 IIGF Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539698 XMWVOWXSVYKQMF-RXVVDRJESA-N 426.266 4.226 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544241 NHGJFVYXFUXRRY-GZOOOWMASA-N 433.888 4.245 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 587685413 QISVHNZKLIUMSA-YPMLDQLKSA-N 426.717 4.095 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685694 RGZWVBJDRBLMPP-FKIZINRSSA-N 439.756 4.241 50 1 IIGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C(\C)c3ccc(Cl)cc3)cc2s1 653792902 CVPMLENVLBWDLI-FOKLQQMPSA-N 432.889 4.047 50 1 IIGF O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587546383 WISWMCZYCLJICW-ZJSXRUAMSA-N 435.863 4.373 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccccc2)cc1 1857762577 QSTGQSHODLGTGW-BGOLNKOXSA-N 429.501 4.074 50 1 IIGF Cc1ccccc1C(=O)Nc1c(NC(=O)CCl)ccc2c1C(=O)c1ccccc1C2=O 73200205 IIRKKRQNCMYTLL-UHFFFAOYSA-N 432.863 4.200 50 1 IIGF COC(=O)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587500145 QUKXXBITGIYHEA-JOCHJYFZSA-N 445.309 4.313 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 253636258 FZEHYOZWPOWKSL-JZEBLYRGSA-N 435.524 4.238 50 1 IIGF CC(=O)NCCc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587502270 DEOJZYMEIRSVGN-DEOSSOPVSA-N 429.919 4.483 50 1 IIGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532908 QUFOXYQXUWHXEV-QFIPXVFZSA-N 427.547 4.044 50 1 IIGF O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169304294 JGVHSWXYIOECCL-AJZPPWIDSA-N 448.884 4.044 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 587685253 OUYLAFHDGVIHKQ-ZUOKHONESA-N 439.756 4.111 50 1 IIGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 84690578 NQJNENTVYKYSMM-IAGOWNOFSA-N 435.698 4.219 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544250 NHGJFVYXFUXRRY-SRMJIJMDSA-N 433.888 4.245 50 1 IIGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(c2cc(Cl)ccn2)N1)C(F)(F)F 962760106 CYFMVLIHCYOFLA-CJNGLKHVSA-N 433.655 4.019 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1OC 3990441 ZTKXVRYVYTZMPP-MRXNPFEDSA-N 426.270 4.166 50 1 IIGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccco1 103540780 CMQAUORCGZTGMO-PJCCXHTNSA-N 442.522 4.373 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541271 ALMAHVWXHPZDTF-QPPBQGQZSA-N 437.879 4.124 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 587684778 MJASBWNHOXADHN-XTZNXHDOSA-N 426.717 4.095 50 1 IIGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)NCCc3ccc(O)cc32)cc1 963341147 LSCJFVHGBOCTCA-LOSJGSFVSA-N 437.923 4.289 50 1 IIGF Cc1cc2c(cc1O)[C@@](CCCCl)(c1ccc(Br)s1)N[C@H](C(=O)O)C2 963556211 VWQFSMUROMSWFU-UGSOOPFHSA-N 444.778 4.386 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541969 FCFZTBSTRHEZAN-JPYJTQIMSA-N 441.867 4.220 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2Br 587683284 OJKXSZVXCVXSNZ-XDHFEDCHSA-N 439.122 4.326 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@@H](C)CC(C)C)CC[C@@H]2C(=O)O 2356501123 OLZZQQSRXUVXDD-GTAHPUGVSA-N 442.552 4.464 50 1 IIGF C[C@@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 95564538 SUWFUXWPCWQJNC-PUECVXPYSA-N 433.878 4.268 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 100652177 FZEHYOZWPOWKSL-WFAQEHJTSA-N 435.524 4.238 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N)cc2)N1 587674580 XQKOCYQXWUQCQT-QGHHPUGFSA-N 428.143 4.343 50 1 IIGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688644 MTVCSFRBXYNQOL-RDBACFOTSA-N 426.713 4.471 50 1 IIGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccccc4OC)o3)cc2)cc1 1772589356 IXFAHYSMLADLND-MFKUBSTISA-N 428.448 4.185 50 1 IIGF O=C(O)c1cccc2c1CCN[C@]2(CBr)c1cc(Br)ccc1F 963133703 RZMFYYFPPXCNMW-KRWDZBQOSA-N 443.110 4.071 50 1 IIGF CCCCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356527444 ABOHZFYYFSYIOC-OAUWFCSDSA-N 430.541 4.156 50 1 IIGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587670456 KPCMSODJWAROLS-XQJJYNOISA-N 437.147 4.054 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587847185 SFRAANVDTPGOQS-ZMZPIMSZSA-N 436.306 4.488 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2cccc(F)c21 58590842 HBVARPBFWPAWTP-QNGOZBTKSA-N 445.450 4.176 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587457869 CRKKBNYRYNTTIW-GJBMWOIVSA-N 437.330 4.333 50 1 IIGF CC(=O)OC[C@](O)(C#N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356708266 IWKJWDPJOZBJMZ-UKAMCHECSA-N 445.600 4.395 50 1 IIGF COC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C(C)C)c1C 587417772 QAMPWKXSWXAQER-MWTRTKDXSA-N 431.916 4.363 50 1 IIGF COc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 44361974 IQFLGGBTHYBPQR-SDIPRESRSA-N 441.528 4.334 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl 2356565780 KWJJPEZBNLGOFB-JWLYHUKBSA-N 448.943 4.220 50 1 IIGF CC1=C(C(=O)O)[C@H](c2cccc(Cl)c2)C(C(=O)OC/C=C/c2ccccc2)=C(C#N)N1 40835576 NXZVWKUAARNNIL-JLXBBBJOSA-N 434.879 4.420 50 1 IIGF COc1ccc(C2=NN(CCCCCBr)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 40934153 BKWWNLJWEVOUOL-IRXDYDNUSA-N 435.362 4.398 50 1 IIGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)s1 95808902 GWPBTJWFABSOHJ-UDWIEESQSA-N 438.347 4.256 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587688721 NKWMPOAYJIHSES-GIGQVBGESA-N 441.728 4.269 50 1 IIGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188485 RPQUHHKHOXVWJA-GHRIWEEISA-N 430.489 4.436 50 1 IIGF Cc1nc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587671707 AFMOSCSPLMBGFQ-ZKANADHPSA-N 432.131 4.366 50 1 IIGF COc1ccnc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587674046 SJEFLWKLDJAFHB-BMLIUANNSA-N 444.142 4.165 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCN2)cc(Br)c1OC 1857652723 JGWSBKBXAIVTFD-GOSISDBHSA-N 442.313 4.043 50 1 IIGF Cc1c(O)ccc2c1[C@](CCCCCCl)(c1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)C2 963512616 XNBSKYKYMQYMEI-AVRDEDQJSA-N 432.904 4.251 50 1 IIGF OCCNCc1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 1857637386 PGBBUQPISSCNIG-UHFFFAOYSA-N 429.557 4.185 50 1 IIGF Cc1ccsc1/C=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12733351 ILFFIBAPSBQSEU-MTJSOVHGSA-N 433.942 4.275 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 587683990 IUPWHPOUKYVNRL-NSPYISDASA-N 426.713 4.376 50 1 IIGF C[C@H](Cn1ccnc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32)O[Si](C)(C)C(C)(C)C 963017625 DAWOIFMGBDCKEQ-HYFFOGBASA-N 440.664 4.436 50 1 IIGF COc1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 60210818 OMHDYCUYJSXONL-QFEZKATASA-N 437.883 4.373 50 1 IIGF FC(F)(F)COc1cccc([C@]2(CBr)NCCc3nc4ccccn4c32)c1 962980166 BVXOQVCEZUZKSI-SFHVURJKSA-N 440.263 4.060 50 1 IIGF COc1cc([C@H]2[C@H](Cl)C(=O)N2Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 1772648613 HAWOKTVBTNWRMU-OALUTQOASA-N 448.306 4.432 50 1 IIGF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356434254 JRFQTWCRCSYLPZ-HFPNUPNFSA-N 434.532 4.471 50 1 IIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 169289973 LFOHARSFANBVRQ-HQTNTUHFSA-N 436.434 4.369 50 1 IIGF CCOC(=O)/C(C#N)=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587883710 UGDSZMBPLXKLLJ-UNOMPAQXSA-N 441.314 4.174 50 1 IIGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(C(F)(F)F)N1C(=O)c1ccccc1 963473094 QRVPWBQBVHOOIT-JXFKEZNVSA-N 436.817 4.316 50 1 IIGF [C-]#[N+]/C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C(=O)N1CCC1 1772648397 PJPQQYFDMMHUQV-LDADJPATSA-N 428.496 4.423 50 1 IIGF CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O 195483887 WNGMEQXERFPHIP-UBRACPCVSA-N 428.592 4.365 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 587686554 VTECBBKUWNMSBJ-RBZFPXEDSA-N 449.755 4.494 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 587704607 JUTGRUFKAVASBN-KVCLSLPCSA-N 432.259 4.405 50 1 IIGF CCCCOC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1 1857650506 WPGKSDDJAWCQNO-FQEVSTJZSA-N 432.904 4.175 50 1 IIGF Cc1cc(NC(=O)C[C@@]2(CCl)NCCc3c2sc(C)c3C)n(-c2ccccc2)n1 963010319 NGRQKHCMXGLSEJ-QFIPXVFZSA-N 428.989 4.468 50 1 IIGF COc1cc(CCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC 14953181 ZIHQIMALTYQRGD-UHFFFAOYSA-N 435.524 4.215 50 1 IIGF CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3c4cc5c(cc4CN[C@H]3[C@@H]2O1)OCO5 195134241 FDANMCRNUHBZGV-XTSANDPQSA-N 433.621 4.285 50 1 IIGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O 26403491 UIXJDFDDMXCJCT-DVRXSGNOSA-N 430.541 4.442 50 1 IIGF in-vitro CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)OC1 95809760 YNXLXJALHWCTIB-PCLIKHOPSA-N 447.576 4.343 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)O2 587370944 CUJFCRNDLZFGOA-QKVFXAPYSA-N 429.314 4.419 50 1 IIGF COc1ccnc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537626 JFRGJWOFRQNXGE-NQIIRXRSSA-N 442.265 4.048 50 1 IIGF CC[C@H](C)[C@@H]1[C@H]2C=C3[C@H](OC(=O)CCC(=O)OC)[C@H](C)C[C@@H](C)[C@H]3[C@@]1(C)C(=CC=O)O2 2356508123 CETRZRNQBVTCKB-ICZSKMQNSA-N 432.557 4.234 50 1 IIGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670075 IAXOKPSULPMAJU-XQJJYNOISA-N 437.147 4.054 50 1 IIGF Cc1c(F)ccc2c1[C@](CBr)(c1ccc(S(=O)(=O)C(C)C)cc1)NCC2 962092996 OTAQHWKVZQJGPN-FQEVSTJZSA-N 440.378 4.100 50 1 IIGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962720076 ZRPQANTVVCIVED-CEXJFXJFSA-N 432.992 4.176 50 1 IIGF COc1cc(C(=O)c2cc3cc(NC(=O)CCl)cc(OC)c3s2)cc(OC)c1OC 103233938 PYMYGMPCTNLGIL-UHFFFAOYSA-N 449.912 4.344 50 1 IIGF O=CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 587617025 OCTYQKMVDORSIQ-BVAGGSTKSA-N 442.423 4.264 50 1 IIGF COc1ccnc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587673189 LESZSMKMOFZMRO-BMLIUANNSA-N 444.142 4.165 50 1 IIGF Cc1cccc(NC(=O)Nc2ccccc2C(=O)NCCSSCCN(C)C)c1 618008859 MDEIMFYRNRMSME-UHFFFAOYSA-N 432.615 4.312 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C(=O)OC)c1)CC2=O 587455967 IAZNBDYLGHPECK-OAQYLSRUSA-N 433.298 4.387 50 1 IIGF Cc1nc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2cc1Br 587009762 REZVHUCZXRJWQO-HNNXBMFYSA-N 446.736 4.149 50 1 IIGF C[C@@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531983 KEFYYSFCUXWOLL-JLCFBVMHSA-N 433.957 4.425 50 1 IIGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84653714 HNDLKCHJELJZRT-WMZHIEFXSA-N 426.396 4.086 50 1 IIGF COc1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C)ccc1O 474609824 VUTWDTNPJGKDBX-WGOQTCKBSA-N 426.476 4.326 50 1 IIGF O=C1c2ccc(O)cc2OC(CBr)(CBr)[C@@H]1c1ccc(F)cc1 587320263 FCORWOJKRYMXMQ-OAHLLOKOSA-N 444.094 4.419 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 587684738 LWMSURJJSUOVGX-LDLUMPKVSA-N 435.765 4.470 50 1 IIGF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I 101423931 VNWRDBPBVSYXIU-OVFCLWGESA-N 426.338 4.437 50 1 IIGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372451 ITRPNBLNUAQWEE-HXUWFJFHSA-N 449.301 4.312 50 1 IIGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587670457 KPCMSODJWAROLS-YNHOBRIKSA-N 437.147 4.054 50 1 IIGF O=CN1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543117 IWPIBAWBAUKLFU-URXFXBBRSA-N 435.863 4.007 50 1 IIGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)c12 962638639 NIXMBNHCOCTOHL-FOIQADDNSA-N 438.833 4.456 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O 587412138 HLZMNLWDALOTEM-APPDUMDISA-N 429.097 4.388 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587546303 VMVTVPCKRZPHSG-RNXZCGPXSA-N 441.867 4.106 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 587684777 MJASBWNHOXADHN-MLCYQJTMSA-N 426.717 4.095 50 1 IIGF COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)n(CCCN(C)C)c3ccccc23)cc1 40429390 PJOBLXUFMFMZMN-LTGZKZEYSA-N 430.552 4.133 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587543874 MCCSNFYBOUFZMY-NFBKMPQASA-N 439.851 4.152 50 1 IIGF O=C(CCl)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1 13671605 LANYSJQMFCSMRS-UHFFFAOYSA-N 438.656 4.155 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(Br)c1)[C@@H](C2)C3=O 587415160 QGTROSVSHYBADK-KBXCAEBGSA-N 438.115 4.496 50 1 IIGF COc1cc(CCl)c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878071 NCWJYLSNNIMMJG-UHFFFAOYSA-N 426.727 4.460 50 1 IIGF COC(C)(C)[C@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 586970897 IBBBBLTVVPWDGR-MRVPVSSYSA-N 444.498 4.077 50 1 IIGF CC(=O)c1ccc(/N=N/N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)cc1 103294146 JYODEHSKFBROHL-QTJUSOIVSA-N 440.500 4.188 50 1 IIGF COc1ccc(C(=O)NNC(=S)Nc2csc(-c3ccc(C)cc3)c2)cc1OC 169350782 RIYWBWRWVJCDJE-UHFFFAOYSA-N 427.551 4.372 50 1 IIGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nnc(O)c2c1cnn2-c1ccccc1 1772634265 FXPPXTKWXLTHGH-SSDVNMTOSA-N 446.517 4.075 50 1 IIGF C[C@H](C(=O)N(C)CCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 618010556 ZYUIYNJMTVDMFF-INIZCTEOSA-N 436.668 4.484 50 1 IIGF C[C@@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 95564540 SUWFUXWPCWQJNC-NJAPINKUSA-N 433.878 4.268 50 1 IIGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1C(Cl)Cl 963069426 TVOPIGGTQOWUOD-GRDNDAEWSA-N 443.327 4.010 50 1 IIGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1[C@@]21c2c(cnn2C)CCN1C 963953519 AIOPGYUVUUMKQJ-YWEHKCAJSA-N 433.559 4.369 50 1 IIGF COc1ccnc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587673192 LESZSMKMOFZMRO-QGHHPUGFSA-N 444.142 4.165 50 1 IIGF COc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1CCl 962623628 BQTVDCDLHDVVLY-LIRRHRJNSA-N 429.822 4.195 50 1 IIGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688641 MTVCSFRBXYNQOL-AHYKXKOGSA-N 426.713 4.471 50 1 IIGF O=C(N/N=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1)c1cc(O)c(O)c(O)c1 653863975 RVOJHSVOMLDZSZ-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(N(C)C)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101867086 BYCITJJEUPZGNX-ODMJBKJSSA-N 429.557 4.464 50 1 IIGF COC(=O)c1ccc(CO[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 103187401 LMZFUTLREPSZGJ-AIPCJIFXSA-N 432.513 4.198 50 1 IIGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962772436 WEILBUJFGLZIPF-LWLIDHTLSA-N 442.275 4.368 50 1 IIGF COc1cc(/C=N\NC(=O)CSc2cc(C)nc3ccc(C)cc23)cc(OC)c1OC 33334374 MEXPJJKFKWPSRB-MSXFZWOLSA-N 439.537 4.120 50 1 IIGF C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@H]2N1c1cccc(F)c1 261170148 SUWFUXWPCWQJNC-BJOOFOGMSA-N 433.878 4.268 50 1 IIGF Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OCCO)ccc2[nH]1 72108570 LTEZZQWNBHMMAS-OAHLLOKOSA-N 435.911 4.257 50 1 IIGF C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934075 AFKFHAPDBCMRCM-MMKMLUHNSA-N 429.812 4.351 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)O2 587373720 NDKOYLLSSYBGSZ-XUSGNXJCSA-N 429.314 4.106 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3c(s1)CCN(C(C)=O)C3)CC2=O 587497959 XORJNWBVHKCYEA-JOCHJYFZSA-N 433.957 4.410 50 1 IIGF Cc1nc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587539874 YGUDDNXOVOWPKY-OXQOHEQNSA-N 430.254 4.249 50 1 IIGF COc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(OC)cc3)NCCc3ccc(O)cc32)cc1 963341146 LSCJFVHGBOCTCA-JWQCQUIFSA-N 437.923 4.289 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 96284139 JAQFIBNDPUALFZ-NRFANRHFSA-N 442.882 4.000 50 1 IIGF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C=O 98083537 KRUMCOBNKSUDTD-QFIPXVFZSA-N 432.303 4.265 50 1 IIGF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@H](Cl)C=C1)[C@H]([C@@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 299847618 JKVBVDTUNVROKD-SMKXESROSA-N 438.015 4.452 50 1 IIGF Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539696 XMWVOWXSVYKQMF-GHTZIAJQSA-N 426.266 4.226 50 1 IIGF O=C(O)c1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1 299836082 YNUXQDHAPUOIEM-UHFFFAOYSA-N 426.428 4.387 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(CCl)c1O 587549211 YTYLMRKVIBMDJY-DYESRHJHSA-N 427.796 4.448 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587834703 RYCBQNUAAXGGNT-FPTDNZKUSA-N 444.300 4.489 50 1 IIGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2F)n1 1772605911 LTMOXVIVLHTXLZ-NFFVHWSESA-N 447.495 4.118 50 1 IIGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653719 AMBNVINZMXRFTG-RDPSFJRHSA-N 440.423 4.476 50 1 IIGF C[C@H](Oc1cccc(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)c1)C(=O)O 299818052 BHQBSSXHCHYQFM-YXEWBSTKSA-N 448.512 4.125 50 1 IIGF CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C\C=C\c1ccccc1 15974553 XPOMMMRJNRNXPE-XHQOUIDXSA-N 429.520 4.175 50 1 IIGF CCOc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 38153933 FBHOBJXCWKLEEB-SFHVURJKSA-N 431.286 4.083 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 587683957 IPLAQRUTLSOFGA-RNODOKPDSA-N 449.755 4.494 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587687058 YPJXDZYCXXIZEW-DGIBIBHMSA-N 439.712 4.050 50 1 IIGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 618008496 HOYLAWRSUZAJDK-UHFFFAOYSA-N 426.554 4.400 50 1 IIGF C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43100688 QDIRWKHTZOWACV-KTQBOKQISA-N 430.282 4.174 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587686688 DGIYNEMXFXFKCY-GIGQVBGESA-N 441.728 4.269 50 1 IIGF COc1ccc2c(c1OC)[C@](CBr)(c1c(F)cccc1F)N(C)[C@H](C)C2 962633135 SUWLENNVWXMFMN-MPBGBICISA-N 426.301 4.497 50 1 IIGF C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CBr 2356495390 QJSUZHISHKPESJ-KURGMDPSSA-N 427.423 4.331 50 1 IIGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(OCc2ccccc2)c1 1484231 UWYGDMITVLKWAD-UHFFFAOYSA-N 429.520 4.118 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 58590612 KBQVGNQJVLREJE-QJOMJCCJSA-N 441.487 4.346 50 1 IIGF CC1(C)[C@@]2(Br)C=C[C@](C)(O)[C@@]13C[C@@H](Br)[C@](C)(Cl)C[C@H]3O2 238749974 WNGMEQXERFPHIP-WYSIXCFFSA-N 428.592 4.365 50 1 IIGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](OC(C)=O)[C@@H](CBr)[C@@H](CC)O1 2356665256 ZRNIGMYDZPOFHS-JQVOGXOBSA-N 426.178 4.291 50 1 IIGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H](Cl)CCl)[nH]c4c3)cc2)CC1 587009158 XSSQRUCCHFMYPI-SFHVURJKSA-N 446.382 4.081 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 587730112 IOHODCPMIFURGO-QAGGNYDDSA-N 432.312 4.474 50 1 IIGF CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 85951695 YYLQMEPEKFNFNL-NFWWODKKSA-N 430.608 4.239 50 1 IIGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)O2 587373715 NDKOYLLSSYBGSZ-GTJPDFRWSA-N 429.314 4.106 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 587730109 IOHODCPMIFURGO-NQQFHWGISA-N 432.312 4.474 50 1 IIGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3ccc([N+](=O)[O-])cc32)n(C)c1 1652655 ZDFHNKMHWNQKTB-OWNNVSBGSA-N 430.892 4.054 50 1 IIGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)CC[C@@H]1Cl 2356414083 OTGGVCSATLYICT-NOTVTWRDSA-N 443.053 4.105 50 1 IIGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCCl)cc1 587650095 WREMWEVPXRFGLM-UHFFFAOYSA-N 433.957 4.470 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 587687199 YFVRMIYKCLDPDX-CZEOPBCSSA-N 433.159 4.470 50 1 IIGF Cc1cc([C@@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962732071 WKBUMOBAZYHYMY-SJLPKXTDSA-N 430.239 4.418 50 1 IIGF CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12 13740083 XUXNEGDCCYQQNC-UHFFFAOYSA-N 438.578 4.189 50 1 IIGF N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 587875338 SEQNLFCUEJRWAQ-UHFFFAOYSA-N 436.136 4.470 50 1 IIGF C=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C(C)=C/[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 139980639 AFLWRLGQCCNPSX-ZBKREGGQSA-N 428.525 4.218 50 1 IIGF CC1=C(C(=O)O)[C@@H](c2cccc(Cl)c2)C(C(=O)OC/C=C/c2ccccc2)=C(C#N)N1 40835578 NXZVWKUAARNNIL-VHTFYLNKSA-N 434.879 4.420 50 1 IIGF O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 13151928 JGVHSWXYIOECCL-IEUYCALXSA-N 448.884 4.044 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(I)cc1)[C@@H](C2)C3=O 587428386 OHOMYMRQVJXQCR-KSSFIOAISA-N 440.664 4.182 50 1 IIGF C[C@@H]1C=CC[C@@H]2O[C@@H]2C[C@H](Cl)[C@H]2C[C@@H](O1)[C@@H](C(Br)=CBr)O2 2356473680 NRMNKXJIZZEMND-JALVAONISA-N 442.575 4.274 50 1 IIGF Cc1c(O)ccc2c1[C@](CCCCCCl)(c1cccc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963467600 GAAHYTUEKICIFH-AVRDEDQJSA-N 432.904 4.251 50 1 IIGF CC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1[C@]21c2c(cnn2C)CCN1C 963953517 AIOPGYUVUUMKQJ-RBJSKKJNSA-N 433.559 4.369 50 1 IIGF CC(=O)OC[C@@](O)(C#N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356708267 IWKJWDPJOZBJMZ-UTNQIMTRSA-N 445.600 4.395 50 1 IIGF N#C/C=C/c1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 73196585 LXPGWIGXHHBGJC-OWOJBTEDSA-N 444.274 4.251 50 1 IIGF in-vitro CN(NC(=S)NCc1ccc(-c2ccccc2)cc1)C(=O)COc1ccc(Cl)cc1 96285243 XMGFCUOQRQGPAT-UHFFFAOYSA-N 439.968 4.424 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(CC)(CC)C(=O)OC)CC2=O 587456473 PDLOEJQFMCWVIO-FQEVSTJZSA-N 427.335 4.423 50 1 IIGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(C(=O)NN)cc2s1 587867406 YOVYFXLXGMUMOJ-UHFFFAOYSA-N 447.442 4.170 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nnc(CCl)o1 587879678 ZJWWEAZDXAKXIT-UHFFFAOYSA-N 434.710 4.493 50 1 IIGF CC(C)CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 72116709 WWDAZEGADXQVGL-UHFFFAOYSA-N 446.632 4.194 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-n3cnc(C)c3)cc1)O2 587376597 XOZJFDZSOBRCQL-NRFANRHFSA-N 426.314 4.327 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3c(s1)CCN(C(C)=O)C3)CC2=O 587497962 XORJNWBVHKCYEA-QFIPXVFZSA-N 433.957 4.410 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(O)cc1 587537324 CUAIMMFURVPPCS-RXVVDRJESA-N 427.250 4.350 50 1 IIGF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@H]4[C@@H](C[C@H]21)[C@@]4(C)[C@H]3I 1772643511 VNWRDBPBVSYXIU-MJJUILSSSA-N 426.338 4.437 50 1 IIGF CCOC(=O)C1([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587674167 UDNSKRQIOUCQAD-BMLIUANNSA-N 449.158 4.056 50 1 IIGF CN(C)CCSSCCN(C)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 618009339 BLIVZPLMYCUIND-UHFFFAOYSA-N 427.636 4.073 50 1 IIGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccccc3)nc3ccccc3c2=O)c1 13779112 VYWMUHMYUXGNMQ-UHFFFAOYSA-N 429.480 4.322 50 1 IIGF COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587422694 RHLUPWCJHZMJEJ-DVECYGJZSA-N 440.879 4.401 50 1 IIGF COC(=O)CCCCCn1c(C)cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c1C 963118123 ABFVAXMSDNSMBV-XMMPIXPASA-N 446.975 4.165 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(-c3ccncn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1857628333 GQQJPYKQBYSFLI-NRFANRHFSA-N 440.429 4.222 50 1 IIGF CN(CCCC[C@@H]1CCSS1)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 40566837 MFXLDKPDPPKYMT-QZTJIDSGSA-N 440.656 4.215 50 1 IIGF COc1ccc(CO[C@]2(C)CC[C@H]3C[C@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 100834519 CARVDRVVWOJGKC-QVGHQYEOSA-N 446.565 4.334 50 1 IIGF COc1cccc([C@@]2(CBr)NCCc3cc4cccc(OC)c4nc32)c1F 963060258 RYKXWLNIRIPUBF-OAQYLSRUSA-N 431.305 4.175 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614852 VLRBXFWUKNXRTN-SIKLNZKXSA-N 443.908 4.186 50 1 IIGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc([N+](=O)[O-])cc1 29037375 RDAKLXUGSFQOKJ-UHFFFAOYSA-N 431.876 4.159 50 1 IIGF COC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)=C(C(SC)SC)[C@]1(O)c1ccccc1 34705240 GDWNVIPWNAMZDP-QMHWCDLVSA-N 425.575 4.333 50 1 IIGF biogenic COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(Br)c1OC 40781850 UWEXMNTVVCCKMY-GOSISDBHSA-N 440.297 4.176 50 1 IIGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)Cc1ccccc1 587272942 FAUGBDLUUBVIKF-LBPRGKRZSA-N 439.103 4.272 50 1 IIGF COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc(OC)c1OC 105678859 MMCUQBLACICGCA-CVKSISIWSA-N 447.491 4.037 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 587703860 HPBRGDJMYXATFO-QDPOBWBZSA-N 432.259 4.405 50 1 IIGF COc1cc(CCl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC 587877408 IYQDBQSMOKGCNP-UHFFFAOYSA-N 426.727 4.460 50 1 IIGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NN 1772583712 FDLLRDAMXNWHHT-ONEGZZNKSA-N 438.491 4.434 50 1 IIGF COC(C)(C)[C@@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 586970903 IBBBBLTVVPWDGR-QMMMGPOBSA-N 444.498 4.077 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)O2 587373716 NDKOYLLSSYBGSZ-LAJNKCICSA-N 429.314 4.106 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 587681728 AGGFWOFDQNUIIV-DYBLOJMWSA-N 425.685 4.452 50 1 IIGF COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 26160999 XJDMSHQBMRWTHV-NGTZFMKBSA-N 436.976 4.098 50 1 IIGF CCCc1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 33332661 HHWSFPWRVYCMEV-OYKKKHCWSA-N 437.452 4.492 50 1 IIGF Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1Br 72119709 KJYXMZAFOIKEKV-SSDVNMTOSA-N 447.720 4.126 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC(=O)N4)([C@H](C)Br)[C@@H](C2)C3=O 587415482 TZMBRPBPXPGSEB-DOCRCCHOSA-N 442.309 4.006 50 1 IIGF O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1 1857580043 KIZAWQDEVAMNHP-UHFFFAOYSA-N 433.855 4.070 50 1 IIGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(NC=O)[C@H](O)[C@@H]32)CC[C@@H]1Cl 2356414085 OTGGVCSATLYICT-OVPBJJRPSA-N 443.053 4.105 50 1 IIGF COc1ccc(C2=NN(CCCCCBr)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 40866170 BKWWNLJWEVOUOL-DLBZAZTESA-N 435.362 4.398 50 1 IIGF COC(=O)c1ccc(CO[C@H]2O[C@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 169339967 LMZFUTLREPSZGJ-TWERCMQVSA-N 432.513 4.198 50 1 IIGF CN(CCCC[C@H]1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169719603 RVLUBPRBBPABLW-KRWDZBQOSA-N 440.656 4.367 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587416002 ZWZYQTXACHTHCJ-VNBSIWGGSA-N 433.298 4.139 50 1 IIGF C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 253634172 QDIRWKHTZOWACV-MWTISTBLSA-N 430.282 4.174 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 587678471 COXYXIMTSJQTTG-SWXJFYGISA-N 433.159 4.470 50 1 IIGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](OC(C)=O)[C@@H](CBr)[C@H](CC)O1 2356665257 ZRNIGMYDZPOFHS-KBCNZALWSA-N 426.178 4.291 50 1 IIGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)CC[C@H]1Cl 169664639 OTGGVCSATLYICT-KRXHPCMFSA-N 443.053 4.105 50 1 IIGF COC(=O)c1cccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689955 XZSBFQPENUYPFR-JEOXALJRSA-N 426.713 4.391 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(Br)c1OC 38469687 CUYPVSYYTXGPQH-SFHVURJKSA-N 438.281 4.233 50 1 IIGF Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 1857556854 LAPLYEXIICSYDW-MZJWZYIUSA-N 435.911 4.108 50 1 IIGF NC(=O)c1coc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963818149 RKNSXCNZXJVOKR-XMMPIXPASA-N 435.911 4.067 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](C2CC2)([C@H](Cl)C(=O)C(F)F)N1 963175702 HFWDPQITKLMYGL-GHJWDPDVSA-N 446.199 4.005 50 1 IIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 40631787 WNTAWOKCXXOSLF-HQTNTUHFSA-N 434.418 4.145 50 1 IIGF Cn1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1-c1cccc(N=C=O)c1 587881589 RRNICVIFBAJBKN-UHFFFAOYSA-N 439.302 4.072 50 1 IIGF CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(O)c(C(C)(C)C)c1 49070652 UZVIKZONFWLPPY-ZMOGYAJESA-N 427.501 4.425 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587416001 ZWZYQTXACHTHCJ-JSKPFOEOSA-N 433.298 4.139 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962692412 BDSNYRBMAQTYQK-OYHNWAKOSA-N 436.980 4.403 50 1 IIGF COc1ccc(-c2csc(NNC(=O)c3cc(OC)ccc3Br)n2)cc1 28710112 KHMUFLSUIUXXFO-UHFFFAOYSA-N 434.315 4.347 50 1 IIGF CC(=O)N(C)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27320065 JIQGCSABFPLGNQ-JOCHJYFZSA-N 434.496 4.020 50 1 IIGF O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103284653 RSRXKXLIPZCCOJ-UONOGXRCSA-N 442.759 4.264 50 1 IIGF C[S@@](=O)(=NC=C(C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1857622388 RBGJCBMWVXZXSV-HKBQPEDESA-N 438.421 4.122 50 1 IIGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@](O)(C#CCCBr)[C@@]3(C)CC[C@H]12 26003691 LFOHARSFANBVRQ-ZQPKRWIZSA-N 436.434 4.369 50 1 IIGF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@H](Cl)C=C1)[C@H]([C@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 96940519 JKVBVDTUNVROKD-JRIVBUFDSA-N 438.015 4.452 50 1 IIGF COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(OC)c2)ccc1O 103191810 JATJEKVFECUQNF-PVBBERPISA-N 432.476 4.444 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546829 YBVJXGKVUYTFEH-PNCHPQGNSA-N 445.899 4.341 50 1 IIGF COC(=O)C=C1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 1857623177 VGARIQOMXRAOII-UBNNNESCSA-N 435.358 4.170 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 587411455 ZYVDNANDNQWOQB-JOCHJYFZSA-N 444.940 4.105 50 1 IIGF Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008855 LYYXIKSXIDGFLG-GOSISDBHSA-N 441.663 4.010 50 1 IIGF Cc1ccnc2c1CCN[C@]2(CBr)c1c(F)ccc(F)c1Br 963067325 JICLLRKDFVCTKC-MRXNPFEDSA-N 432.106 4.215 50 1 IIGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@@H]12 2356405254 MUXFWFVUPRRJJA-FGCOXFRFSA-N 430.497 4.094 50 1 IIGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)ccc21 586906715 GURRALPWBQQBSH-UHFFFAOYSA-N 427.132 4.202 50 1 IIGF COC(=O)CCCCCn1c(C)cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c1C 963118119 ABFVAXMSDNSMBV-DEOSSOPVSA-N 446.975 4.165 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(Cl)c2)cc1 96284138 JAQFIBNDPUALFZ-OAQYLSRUSA-N 442.882 4.000 50 1 IIGF C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653717 AMBNVINZMXRFTG-YKSBVNFPSA-N 440.423 4.476 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1Br)[C@@H](C2)C3=O 587414356 LXJIPNHDCCTDNL-SCLBCKFNSA-N 438.115 4.496 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(O)ccc2O)N1 587673186 LDGNERBXIAZVCI-VVVCHXIZSA-N 445.126 4.172 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(CBr)c1)(C(F)(F)F)NCC2 962920535 BQPUZKQHYZUTMO-LJQANCHMSA-N 441.291 4.235 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2C(CBr)(CBr)N1 587672072 CUHWJVPLZKNJSW-SSDOTTSWSA-N 429.953 4.108 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 587684737 LWMSURJJSUOVGX-FHGNATFXSA-N 435.765 4.470 50 1 IIGF O=C(N/N=C/c1ccc(OCc2ccccc2C(F)(F)F)cc1)c1ccc(O)c(O)c1 653890327 WAYZSZVOFONQIO-RPPGKUMJSA-N 430.382 4.460 50 1 IIGF Cc1cc2c(cc1Cl)[C@]1(C(C#N)=CO2)c2ccc(B3OC(C)(C)C(C)(C)O3)c3c2CCN31 963163040 ZBRQTLWWOXJBID-VWLOTQADSA-N 446.743 4.367 50 1 IIGF Cc1cc2c(cc1O)[C@](CCl)(c1ccc(NC(=O)OC(C)(C)C)cc1)N[C@H](C(=O)O)C2 963526270 OCEDMYFGPVYTBQ-MBSDFSHPSA-N 446.931 4.129 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546826 YBVJXGKVUYTFEH-IUKKYPGJSA-N 445.899 4.341 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(O)ccc2O)N1 587673188 LDGNERBXIAZVCI-XYZCENFISA-N 445.126 4.172 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587683760 HYOLDMQGZNCJGV-MPBGBICISA-N 437.740 4.124 50 1 IIGF Cc1c(O)ccc2c1[C@@]([C@H](C)Br)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963474985 YGNGWZLGKOHBOY-JKXTWKSPSA-N 430.342 4.010 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546831 YBVJXGKVUYTFEH-YZZKKUAISA-N 445.899 4.341 50 1 IIGF COc1cc2c(cc1C(=O)Nc1ccc(N)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857763973 NYMCFDCIDIKCSW-BKMJKUGQSA-N 429.520 4.409 50 1 IIGF O=C(N/N=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1)c1cc(O)c(O)c(O)c1 653863980 SSNCSACDGZVGDV-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495099 BSSKMMMHUSDBNQ-KNQAVFIVSA-N 439.309 4.108 50 1 IIGF Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc2ccccc2cc1O 3275215 NHUULTHHMBMAKS-WPWMEQJKSA-N 439.519 4.404 50 3 IIGF COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@]12C 254048085 VGARIQOMXRAOII-KEUWHARTSA-N 435.358 4.170 50 3 IIGF CC(C)(C)OC(=O)N1[C@H](C(Cl)Cl)c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963069432 TVOPIGGTQOWUOD-ZQIUZPCESA-N 443.327 4.010 50 1 IIGF COc1ccnc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537625 JFRGJWOFRQNXGE-GHTZIAJQSA-N 442.265 4.048 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546825 YBVJXGKVUYTFEH-IEGUWTFLSA-N 445.899 4.341 50 1 IIGF CN1C(=O)C[C@@H]2CN[C@@](CCCCCl)(c3ccc(C4OCCO4)s3)c3cccc1c32 963035053 WEPSVJFRTNTZSW-IQMFZBJNSA-N 447.000 4.500 50 1 IIGF C[C@](Br)(CBr)Cn1cc(Br)c(=O)c2ccccc21 103266907 DGNLLWCKUZZTME-ZDUSSCGKSA-N 437.957 4.313 50 1 IIGF OB(O)c1cccc(-c2nc3ccc4n[nH]cc4c3cc2-c2ccc(F)c(Cl)c2)c1F 1857606631 CZNAJMVWSHKOIO-UHFFFAOYSA-N 435.626 4.057 50 1 IIGF Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 1857646382 KBKZECSBWVJORL-UHFFFAOYSA-N 431.928 4.384 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cccc([N+](=O)[O-])c1 84616801 ATNQMFIQXDXHBR-OYKKKHCWSA-N 445.504 4.387 50 1 IIGF O=C(CCl)NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379658 ZFZQTNXBEZDGJU-IFMALSPDSA-N 445.899 4.202 50 1 IIGF O=C(NCC1CC1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018803 CIDCWYGJBMLXNV-KKUQBAQOSA-N 444.515 4.409 50 1 IIGF O=C(CCCl)Nc1ccc(SCC(=O)Nc2ccc(Br)cn2)cc1 96908527 MOSMRRPHXDXCHG-UHFFFAOYSA-N 428.739 4.142 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(O)cc1 587537325 CUAIMMFURVPPCS-WIYYLYMNSA-N 427.250 4.350 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687287 ZPHYWMGMNSISJF-LIBAHTEVSA-N 435.765 4.470 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587325982 IZZLSASIIRZTOL-FYYLOGMGSA-N 443.858 4.254 50 1 IIGF CN(C)C(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614616 SWOABRUWVWQKLY-PGRDOPGGSA-N 443.908 4.251 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 587704605 JUTGRUFKAVASBN-DDFPCUEESA-N 432.259 4.405 50 1 IIGF COc1ccc2c(c1OC)[C@@]1(C(C#N)=COc3cc(Br)ccc31)N(C)[C@H](C)C2 962619487 CYGNVIVIRHRGKA-DMZKTXOQSA-N 441.325 4.386 50 1 IIGF C[C@]12C=C3C(=O)O[C@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934069 CCWNFZNBBAIQRF-ZSXPUABSSA-N 429.812 4.351 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169371135 GWMJXQKGFJSHTF-SCFGZTCDSA-N 439.350 4.219 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCCN4)cc(Br)c1OC 1857775396 LCRZBAUAXKBOJA-IBGZPJMESA-N 442.313 4.043 50 1 IIGF CC1(C)C[C@@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@H]3O1 1622853 GVMCFABUMAZWFR-ATIYNZHBSA-N 435.487 4.296 50 1 IIGF O=C(CCl)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857606187 OWZGTMIQITVQFM-SFHVURJKSA-N 425.916 4.237 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587682551 CQXYYRVHDWBYLH-UGZDLDLSSA-N 443.744 4.336 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCCC[C@@H]2Br)N1 963181853 HTDWQLDEMBFSAP-YDHLFZDLSA-N 426.660 4.491 50 1 IIGF C[C@H](C(=O)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@@]35OO4)cc1 103179104 BNLIOPSAVGLUNR-MFGAFTBXSA-N 432.513 4.462 50 1 IIGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1ccccn1)[C@@]2(C)Br 195288504 GWMJXQKGFJSHTF-KOLGEOIKSA-N 439.350 4.219 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl 15115454 QETHRCCHQRWBIJ-MHDRBSDESA-N 448.943 4.220 50 1 IIGF endogenous,in-man COC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587327790 RPMNQYIBLZHEHK-KNQAVFIVSA-N 430.815 4.404 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N)cc2)N1 587674578 XQKOCYQXWUQCQT-BTDLBPIBSA-N 428.143 4.343 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 587686561 VTECBBKUWNMSBJ-ZUOKHONESA-N 449.755 4.494 50 1 IIGF Nc1ccc(SSCCNC(=O)[C@H](Cc2cccc(Br)c2)N=O)cc1 169717447 RWSXENRHGAVEJI-INIZCTEOSA-N 440.388 4.266 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2)N1 587673029 JRVGQWODAGVNKO-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587683753 HYOLDMQGZNCJGV-FKIZINRSSA-N 437.740 4.124 50 1 IIGF COc1ccccc1/C=N/NC(=O)Cn1c(CSc2ccccc2)nc2ccccc21 84620031 NGQBJNOHYJVQIH-MFKUBSTISA-N 430.533 4.488 50 1 IIGF O=C(CCl)N1N=C(c2ccc(C(F)(F)F)cc2)NN=C1c1ccc(C(F)(F)F)cc1 28469566 APFSUIJCYWVPGV-UHFFFAOYSA-N 448.754 4.418 50 1 IIGF CCOc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619010 YJLQSLBSQSENIX-UHFFFAOYSA-N 439.877 4.023 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587456581 RLFVSGKLHYMFKV-QFIPXVFZSA-N 444.325 4.485 50 1 IIGF Cc1nc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587671706 AFMOSCSPLMBGFQ-VPTHRUTESA-N 432.131 4.366 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2O)N1 587672698 HCTAZKJYLDYBRA-XYZCENFISA-N 445.126 4.172 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848695 PNZGWSGDAHFSQD-MLCYQJTMSA-N 445.785 4.302 50 1 IIGF O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169304296 JGVHSWXYIOECCL-PYKOXBGCSA-N 448.884 4.044 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26730219 FZEHYOZWPOWKSL-DAOGTRTGSA-N 435.524 4.238 50 1 IIGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@H](C)CC(C)C)CC[C@@H]2C(=O)O 238784843 OLZZQQSRXUVXDD-KITHDMGSSA-N 442.552 4.464 50 1 IIGF O=C(O)CNCc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857560110 PKCAOGKRQIZMCY-UHFFFAOYSA-N 427.541 4.346 50 1 IIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@H]3CC[C@@H]12 26003698 LFOHARSFANBVRQ-RFGFHXCZSA-N 436.434 4.369 50 1 IIGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccccc1[N+](=O)[O-] 29037370 CPJIKMHRIPJSDL-UHFFFAOYSA-N 431.876 4.159 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541973 FCFZTBSTRHEZAN-WZONZLPQSA-N 441.867 4.220 50 1 IIGF CN(C)CCSSCCN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 618009439 DBDDWMPZIMEDPC-UHFFFAOYSA-N 434.627 4.046 50 1 IIGF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)NN)cc5[nH]4)c23)cc1 587039266 SAQPZYWOEBNTSV-UHFFFAOYSA-N 446.561 4.439 50 1 IIGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587670074 IAXOKPSULPMAJU-XIZWVBILSA-N 437.147 4.054 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587844878 CLRDJIQWONYAIF-MGNBDDOMSA-N 445.785 4.302 50 1 IIGF CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@@H](Br)[C@@](C)(Cl)C[C@@H]3O2 238748304 WNGMEQXERFPHIP-SCDMIPDLSA-N 428.592 4.365 50 1 IIGF CCC[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473081493 CMSBSFIUOSFUQO-INIZCTEOSA-N 436.335 4.494 50 1 IIGF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(CCCl)CCCl)cc1Cl 102800594 IXSGEZBXNROPSE-VZHUHSAUSA-N 436.792 4.430 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(C#N)=C/N(C)C)(C(F)(F)F)N1 587707823 XJUJNHXCJDEYNU-DWFKKKJJSA-N 432.259 4.405 50 1 IIGF COc1ccc(Br)c(C(=O)NNc2nc(-c3ccnc(Cl)c3)cs2)c1 28710106 JGJSQFSHLAUCJS-UHFFFAOYSA-N 439.722 4.387 50 1 IIGF COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 40576942 SMBFAPSFSYETAF-VGOFMYFVSA-N 432.270 4.273 50 1 IIGF CC1=C(C(=O)NCc2ccc(F)c(F)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49793282 NEVLFMCSTIYWEY-YSMYBGBDSA-N 435.467 4.101 50 1 IIGF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(CCCl)CCCl)cc1Cl 102800596 IXSGEZBXNROPSE-RIBQPWQFSA-N 436.792 4.430 50 1 IIGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670077 IAXOKPSULPMAJU-YNHOBRIKSA-N 437.147 4.054 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 587681730 AGGFWOFDQNUIIV-NIVTXAMTSA-N 425.685 4.452 50 1 IIGF CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@H]3O2 137446155 WNGMEQXERFPHIP-MSMPLYEQSA-N 428.592 4.365 50 1 IIGF COC(=O)c1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C2CC2)c1C 587419270 XMJDDQQVMUDOSD-MWTRTKDXSA-N 429.900 4.117 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2O)N1 587674684 ZGQFEUXRQYHVGW-VVVCHXIZSA-N 445.126 4.172 50 1 IIGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(Cl)ccn2)N1)C(F)(F)F 962760103 CYFMVLIHCYOFLA-BBRMVZONSA-N 433.655 4.019 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1COc3ccccc3O1)CC2=O 587457332 XRRYGENKJADPMU-PZJWPPBQSA-N 433.298 4.284 50 1 IIGF CCOC(=O)[C@]1(CCCCCCCl)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983748 ZHRFCGXRLQVRPO-IFXJQAMLSA-N 438.298 4.165 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(O)cc1 587537322 CUAIMMFURVPPCS-NQIIRXRSSA-N 427.250 4.350 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587847184 SFRAANVDTPGOQS-VOJFVSQTSA-N 436.306 4.488 50 1 IIGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@@H](OC(C)=O)[C@@H]12 2356405256 MUXFWFVUPRRJJA-QDSKXPNFSA-N 430.497 4.094 50 1 IIGF COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383522 SLXQZPBOMZGPOT-LJQANCHMSA-N 442.256 4.443 50 1 IIGF CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572591 SNHKJRATAZAYJB-AZQZOLAGSA-N 430.435 4.357 50 1 IIGF Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587615958 YEYHYRUGICYLML-AVBTWRTFSA-N 426.881 4.404 50 1 IIGF C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84653712 HNDLKCHJELJZRT-AUSIDOKSSA-N 426.396 4.086 50 1 IIGF COc1ccc(-c2cnnn2[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 102074681 RFXGBPFKWXSAMB-CENATWARSA-N 441.528 4.334 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587834705 RYCBQNUAAXGGNT-PEBXRYMYSA-N 444.300 4.489 50 1 IIGF O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587878494 HNCNGRDGOCHROR-UHFFFAOYSA-N 438.108 4.434 50 1 IIGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC(C)=C[C@H](C)CC)CC[C@@H](C(=O)O)[C@]21C 2356653088 AFLWRLGQCCNPSX-OPMJSYJTSA-N 428.525 4.218 50 1 IIGF C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 253634175 QDIRWKHTZOWACV-PFPDTZPXSA-N 430.282 4.174 50 1 IIGF CCOC(=O)C1([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587672005 CIVDVIOMCMTEEA-BMLIUANNSA-N 449.158 4.056 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCCBr)c1 587875032 NBVOFEMPNYNZJM-UHFFFAOYSA-N 441.152 4.478 50 1 IIGF O=C(N/N=C(/Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 13472290 WADMZXUQWMURSF-QJOMJCCJSA-N 425.828 4.036 50 1 IIGF N#Cc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84617672 NDOTVYAEXBBLGO-CVKSISIWSA-N 425.517 4.351 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587843771 JISUVDMCTXTFJO-VOJFVSQTSA-N 436.306 4.488 50 1 IIGF CC1(C)C(Br)=C[C@@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 13449961 YYDCCCDZFWJKIO-SFUQCAKLSA-N 428.592 4.365 50 1 IIGF biogenic CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OC)cc1)CC2=O 587455856 GXYQAUQTVHNOOE-NRFANRHFSA-N 433.298 4.387 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@H]1Cl)OC(C)=O 2356498431 WLCJKJLAQCETBJ-HAEOWDPNSA-N 426.178 4.434 50 1 IIGF NC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(N)=O)[nH]c2ccccc12 13734665 HMHMZJJRNBZGQN-UHFFFAOYSA-N 438.578 4.284 50 1 IIGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 44431170 MRBZRDGTPZIYOC-IUROXWAKSA-N 436.545 4.048 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587687321 ZYOYUNZLGAKBFE-FKIZINRSSA-N 439.756 4.023 50 1 IIGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccc(F)cc1)C(=O)c1ccccc1C2=O 82149437 QVUDMNJDFVIYBV-UHFFFAOYSA-N 436.826 4.031 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587690172 ZTYBQUBFIVAEJX-ZDCWMAILSA-N 443.744 4.222 50 1 IIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(=O)Cl)ccc41)[C@@H](C2)C3=O 587419804 ZQYZCRMAINBFFN-UQBPGWFLSA-N 430.843 4.310 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(C#N)=C/N(C)C)(C(F)(F)F)N1 587705028 KPQQWQBDFZVWOT-NYNMEITLSA-N 432.259 4.405 50 1 IIGF O=C(N/N=C/c1cccc(O)c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653716065 ZIWDOSSPALQEEY-JFLMPSFJSA-N 435.443 4.421 50 1 IIGF O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1cc(Br)ccc1F 963133713 RZMFYYFPPXCNMW-QGZVFWFLSA-N 443.110 4.071 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)CBr)c1 587874626 DJVRXQNYVAILQZ-UHFFFAOYSA-N 439.136 4.281 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(-c3cncnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772602613 PMBUAVBVEXACLP-NRFANRHFSA-N 440.429 4.222 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2cc(F)ccc21 58591205 XHSMWOGLCQWMLY-JCMHNJIXSA-N 445.450 4.176 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCCN4)cc(Br)c1OC 1857775397 LCRZBAUAXKBOJA-LJQANCHMSA-N 442.313 4.043 50 1 IIGF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCC[C@H]3Cl 206138048 HUXQSDVMBNLXGQ-GDBMZVCRSA-N 428.876 4.193 50 1 IIGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)[C@H](O)[C@H]12 299857605 NYAOZNWYVPECJM-AXSMETJDSA-N 447.486 4.310 50 1 IIGF O=C1OC(=O)c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)ccc21 586907108 KJJQJNPOYFXHEM-UHFFFAOYSA-N 427.132 4.202 50 1 IIGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587323616 RZZPCCGDWFILIP-TZIWHRDSSA-N 435.289 4.451 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)O2 587373717 NDKOYLLSSYBGSZ-QKVFXAPYSA-N 429.314 4.106 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 587687232 ZGKNIUJDCFUYTO-HXPMCKFVSA-N 425.729 4.197 50 1 IIGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962650753 ZVIHZCXDPRXZEQ-CBAAJYMTSA-N 430.882 4.483 50 1 IIGF C=C(C)[C@H](CCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@@H]3O2)O1)OO 2356335458 AFCSVFPVLSEQQA-VOUCERIWSA-N 430.541 4.432 50 1 IIGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587323615 RZZPCCGDWFILIP-PZJWPPBQSA-N 435.289 4.451 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(I)cc1)O2 587387727 VZRLTNMFPXRMQB-KRWDZBQOSA-N 427.669 4.281 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418157 SAZOBIDXKCHLDA-VYYHULQYSA-N 435.303 4.498 50 1 IIGF CC(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507744 SBUBRCDVBNKFLQ-XMMPIXPASA-N 429.919 4.483 50 1 IIGF C[C@@H]1CC[C@H]2[C@H](CCCc3ccc(N(C)C)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43120994 BYCITJJEUPZGNX-MVYMRUIUSA-N 429.557 4.464 50 1 IIGF CC(=O)OC1=C(C[C@@H](Br)C(C)(C)Br)C(=O)c2ccccc2C1=O 35246733 KWFOVHSSVVRRNY-CYBMUJFWSA-N 444.119 4.210 50 1 IIGF C#C/C=C\C[C@@H]1O[C@@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1Cl 138208455 CGQNAFNBYGFLTH-MWKIHXOOSA-N 426.178 4.434 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857640110 YTEHBRXXCARVEK-GHRAFVERSA-N 443.528 4.383 50 1 IIGF CS(=O)(=O)N1C[C@H](CCl)c2cc(Br)c(OCc3ccccc3)cc21 27412176 JOUVCQGBSZJGTK-ZDUSSCGKSA-N 430.751 4.130 50 1 IIGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(Cl)c1OC 72108116 GZHOMJNJBWRWHI-FOKLQQMPSA-N 429.929 4.456 50 1 IIGF O=C(CCl)NC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379660 ZFZQTNXBEZDGJU-RBBKRZOGSA-N 445.899 4.202 50 1 IIGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689796 WIHIUFAGEHBFEG-UVARLRKDSA-N 439.756 4.110 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 587727219 BBFFIRZTTBSNOM-QAGGNYDDSA-N 432.312 4.474 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587845270 DEXNYTZXDQJTAK-XTZNXHDOSA-N 445.785 4.368 50 1 IIGF CNc1ccc2c(c1)N(C(=O)c1cc3cc(OC)c(OC)c(OC)c3[nH]1)C[C@@H]2CCl 1648693 ZWDCICQWTICBQY-ZDUSSCGKSA-N 429.904 4.218 50 1 IIGF CCO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13651530 ZMCGGWRJQVTFIY-FLIUJYPFSA-N 442.337 4.038 50 1 IIGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)c1ccccc1 587274354 TZSQMHGMCJASLZ-CQSZACIVSA-N 425.076 4.402 50 1 IIGF CC[C@H](C)[C@@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@H]2[C@H]1C=CC=CC=CC(=O)O 2356465133 HKYWSADNTBIHIQ-ROHYCMKWSA-N 426.553 4.402 50 1 IIGF Nc1ccccc1C(=O)[C@H](Br)[C@H](Br)c1ccc2c(c1)OCO2 1634570 VVNKQNLRCJLCRB-HUUCEWRRSA-N 427.092 4.080 50 1 IIGF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=C(C#N)C#N)CC[C@@H]12 40791244 LXWWGPKECZBFDO-KXXHFCIOSA-N 425.554 4.031 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4ccc(F)cc4)nn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102074829 PIVSJHSNHHNFEF-DLQZLCHUSA-N 429.492 4.465 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587495765 TWCWAILQCOHWDZ-LAUBAEHRSA-N 437.945 4.399 50 1 IIGF COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(O)cc2)cc1 40876852 DLLGVOVLWTZPCC-BMBVXPEGSA-N 438.487 4.277 50 1 IIGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccccc1 170100999 QCMOMEOGDAWUFS-DEOSSOPVSA-N 444.340 4.124 50 1 IIGF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972441 RGUQLWMMGWFFAW-UHFFFAOYSA-N 438.347 4.090 50 1 IIGF CC(C)(C)OC(=O)N1C[C@@H](Br)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500380 WPFGIDKOACYRNK-UTKZUKDTSA-N 436.346 4.284 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(N(C)C)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 38152988 BYCITJJEUPZGNX-CMKLKCLWSA-N 429.557 4.464 50 1 IIGF COc1ccnc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587674048 SJEFLWKLDJAFHB-BTDLBPIBSA-N 444.142 4.165 50 1 IIGF COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc3c(c2)CCC3)cc1 653786501 DAWFRGFGIAQWKS-UHFFFAOYSA-N 438.505 4.401 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)CC2=O 587465818 HSHZFMRTGOYYAH-QHCPKHFHSA-N 433.907 4.262 50 1 IIGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CBr)[C@@H]1c1ccccc1 169341705 SASPGZYNFQKABL-SLYNCCJLSA-N 446.341 4.263 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587418983 VPMVNHBWSGPLDW-AQDXNVIQSA-N 427.928 4.034 50 1 IIGF Cc1c(C(=O)NCCOc2ccccc2)cnc2c([C@@H]3CC[C@@H](Cl)[C@H](Cl)C3)cnn12 207685805 BHDJYYFELGTSTL-CDHQVMDDSA-N 447.366 4.329 50 1 IIGF in-vitro O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)cs1 95808755 RUOKIOVGQDQDCW-RGVLZGJSSA-N 438.347 4.256 50 1 IIGF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCC[C@H]2Cl 1772651280 ZMXMHHBSWXBDPL-LJQANCHMSA-N 443.016 4.205 50 1 IIGF CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15CC(c1ccc(Cl)cc1)=NO5)[C@]42OO3 473146818 DLNOJZOJEIBCBG-PCMDVGLVSA-N 449.931 4.422 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2O)N1 587672694 HCTAZKJYLDYBRA-VVVCHXIZSA-N 445.126 4.172 50 1 IIGF O=C(O)c1cccc2c1CCN[C@]2(CBr)c1c(F)cccc1C(F)(F)F 963132449 BCVOBZGHWMEOBF-KRWDZBQOSA-N 432.211 4.327 50 1 IIGF CN1C(=O)C[C@H]2CN[C@@](CCCCCl)(c3ccc(C4OCCO4)s3)c3cccc1c32 963035055 WEPSVJFRTNTZSW-NPMXOYFQSA-N 447.000 4.500 50 1 IIGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 584904654 JBCLOAAJLMUGLP-QOCHGBHMSA-N 449.532 4.224 50 1 IIGF in-vitro COc1cc2c3c(c1)O[C@](CCl)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O 587412146 HLZMNLWDALOTEM-GTNSWQLSSA-N 429.097 4.388 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587682553 CQXYYRVHDWBYLH-ZRNGKTOUSA-N 443.744 4.336 50 1 IIGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587686165 BVTXBEWJJXKRSG-UVARLRKDSA-N 439.756 4.110 50 1 IIGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)cc2)nc2ccccc21 1772643153 CLLWIPBKHOHGDG-OEAKJJBVSA-N 429.461 4.070 50 1 IIGF C[C@@](O)(COc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13581031 SJWMTXJQSDNMAN-QGZVFWFLSA-N 441.387 4.116 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 58582007 XNWKYXOLZCLRAY-JWGURIENSA-N 427.460 4.037 50 1 IIGF O=C(O)CCCc1ccccc1C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 253636257 FZEHYOZWPOWKSL-AEURAKRHSA-N 435.524 4.238 50 1 IIGF N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369474 IVORRYLVFKJZHE-FYYLOGMGSA-N 437.448 4.411 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587546294 VMVTVPCKRZPHSG-GQIHDASDSA-N 441.867 4.106 50 1 IIGF C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 95564537 SUWFUXWPCWQJNC-IWEFOYFVSA-N 433.878 4.268 50 1 IIGF C[C@H](NC(=O)CCl)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880126 RMUSNRUMFSPOTA-AWEZNQCLSA-N 437.754 4.120 50 1 IIGF Cc1c(C(=O)NCCOc2ccccc2)cnc2c([C@@H]3CC[C@H](Cl)[C@@H](Cl)C3)cnn12 914431326 BHDJYYFELGTSTL-XPGWFJOJSA-N 447.366 4.329 50 1 IIGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc2ccccc2nc1N1CCOCC1 72124792 HTLTVXLIJLGWPW-XMMPIXPASA-N 434.499 4.443 50 1 IIGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H](Cl)CCl)[nH]c4c3)cc2)CC1 587009157 XSSQRUCCHFMYPI-GOSISDBHSA-N 446.382 4.081 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 587686170 SVPZQMVSJBQJQT-RNODOKPDSA-N 439.756 4.111 50 1 IIGF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccc(C(=O)NN)o2)c(Cl)c1 587902100 JRBRPXREGYWDCH-UHFFFAOYSA-N 431.275 4.177 50 1 IIGF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356434255 JRFQTWCRCSYLPZ-JJSQPMQZSA-N 434.532 4.471 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1COc3ccccc3O1)CC2=O 587457330 XRRYGENKJADPMU-FPOVZHCZSA-N 433.298 4.284 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(CCl)n2)cc1 587883458 LVJGKLGYPZNZDE-UHFFFAOYSA-N 434.710 4.493 50 1 IIGF COc1ccc(Cl)cc1C#Cc1c(CBr)n(C)n(-c2ccccc2)c1=O 587899579 GCFOJSMNABPHGK-UHFFFAOYSA-N 431.717 4.133 50 1 IIGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653718 AMBNVINZMXRFTG-GBXCKJPGSA-N 440.423 4.476 50 1 IIGF C[C@@H](Oc1cccc(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)c1)C(=O)O 299818045 BHQBSSXHCHYQFM-ISCRBPEWSA-N 448.512 4.125 50 1 IIGF Cc1cc2c(cc1Cl)[C@@]1(C(C#N)=CO2)c2ccc(B3OC(C)(C)C(C)(C)O3)c3c2CCN31 963163033 ZBRQTLWWOXJBID-RUZDIDTESA-N 446.743 4.367 50 1 IIGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@@H](C)Cl)cc1 40975438 CGOQWYWCWRMMLL-MWTRTKDXSA-N 437.927 4.008 50 1 IIGF CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCC)OCC)SC 103202272 GCGTVQWIDMTTLS-WUVIJCSQSA-N 430.438 4.341 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC(=O)OC)c1C)CC2=O 587458961 GEXIKDVOXWWCHO-HSZRJFAPSA-N 433.932 4.426 50 1 IIGF Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 1857754695 KATYKXXGQBFJLO-UHFFFAOYSA-N 443.939 4.386 50 1 IIGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@](O)(C#CCCBr)[C@@]3(C)CC[C@H]12 26003706 LFOHARSFANBVRQ-DJAYXGLKSA-N 436.434 4.369 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587543877 MCCSNFYBOUFZMY-REWPJTCUSA-N 439.851 4.152 50 1 IIGF Cc1ccnc2c1CCN[C@@]2(CBr)c1c(F)cc(Br)cc1F 963072553 SWNUAVXDFKPRHY-INIZCTEOSA-N 432.106 4.215 50 1 IIGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@H](C)Cl)cc1 40975436 CGOQWYWCWRMMLL-HJPURHCSSA-N 437.927 4.008 50 1 IIGF COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 299867002 XFNVAYOOGJQGDE-CVKSISIWSA-N 447.491 4.037 50 1 IIGF O=C1NC(=O)C(c2cn3c4c(cccc24)C[C@@H](CCl)C3)=C1c1c[nH]c2cc(F)ccc12 26819250 FAVVMKDACQNELO-LBPRGKRZSA-N 433.870 4.240 50 1 IIGF CCc1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12 28711212 SXIWFXURQHLSTC-UHFFFAOYSA-N 441.281 4.469 50 1 IIGF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C=O 98083536 KRUMCOBNKSUDTD-JOCHJYFZSA-N 432.303 4.265 50 1 IIGF CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(N(CCCl)CCCl)cc2)cc1 1857603721 RQLHFFBAACFJLF-NYYWCZLTSA-N 426.365 4.270 50 1 IIGF O=C(COc1ccc(Cl)cc1)NNC(=S)NCc1cccc(-c2ccccc2)c1 96285268 DYYUPDMBNHMRLB-UHFFFAOYSA-N 425.941 4.081 50 1 IIGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587495879 AOKFIBHMHGFHMH-HSZRJFAPSA-N 427.884 4.352 50 1 IIGF Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 1857568724 RONLSGPYHHXHNW-MZJWZYIUSA-N 435.911 4.108 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(=O)oc2c1ccc1ccccc12 1857636050 NBESXPYHKJYPMA-NRFANRHFSA-N 434.407 4.271 50 1 IIGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326461 LMPIFLWLYXRFTC-SIKLNZKXSA-N 429.831 4.025 50 1 IIGF CCOCCNc1nc(SC)nc2c1cnn2C[C@@H](Br)c1ccccc1 40848583 CQSUZHXYLJSFSI-OAHLLOKOSA-N 436.379 4.133 50 1 IIGF C[C@]12C=C3C(=O)O[C@@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934072 CCWNFZNBBAIQRF-JYRKZWEQSA-N 429.812 4.351 50 1 IIGF O=C(NNC(=O)c1nc(-c2cccc3ccccc23)no1)Nc1cccc(C(F)(F)F)c1 40401365 RLYIUUMDMOYBLG-UHFFFAOYSA-N 441.369 4.375 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(O)ccc2O)N1 587673185 LDGNERBXIAZVCI-HUTHGQBESA-N 445.126 4.172 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)s1 587897654 NNUPALCAIIPZJB-UHFFFAOYSA-N 445.165 4.343 50 1 IIGF COc1ccc([C@@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962731755 UGYOJFXMLSXSGT-CRAIPNDOSA-N 446.238 4.119 50 1 IIGF CCc1ccc([C@@]2(CCBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963230979 RHMIQHLPAZRGEP-JTHBVZDNSA-N 439.353 4.425 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CC)[C@H](Br)C[C@@H]1Cl)OC(C)=O 2356498430 WLCJKJLAQCETBJ-GGUVTUNTSA-N 426.178 4.434 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccn(C)c32)cc(Br)c1OC 40614016 SNKICQQKZKOWSH-QGZVFWFLSA-N 440.297 4.176 50 1 IIGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CBr)[C@H]1c1ccccc1 254134048 SASPGZYNFQKABL-QFUCXCTJSA-N 446.341 4.263 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)O2 587381406 IKDLFQQELICPBI-IBGZPJMESA-N 436.821 4.276 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(I)cc1)O2 587387728 VZRLTNMFPXRMQB-QGZVFWFLSA-N 427.669 4.281 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546827 YBVJXGKVUYTFEH-IXFSTUDKSA-N 445.899 4.341 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587706254 PTBPVJSROJRPMJ-YOVFDNBUSA-N 428.651 4.467 50 1 IIGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688344 LLUYZHRIGMUPAU-JVMOKEISSA-N 426.713 4.471 50 1 IIGF COC(=O)C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@@]12C 1857623176 VGARIQOMXRAOII-QYBIJXIYSA-N 435.358 4.170 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587684092 KIUFLAAAYSPBHB-BIBXISHDSA-N 437.740 4.490 50 1 IIGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688342 LLUYZHRIGMUPAU-JPJOULJCSA-N 426.713 4.471 50 1 IIGF C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CBr 2356495392 QJSUZHISHKPESJ-RAMAQNDQSA-N 427.423 4.331 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCCl)(c2ccccc2)N1 587686175 SVPZQMVSJBQJQT-XCLFUZPHSA-N 439.756 4.111 50 1 IIGF C[C@@H](C(=O)N(C)CCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 618010557 ZYUIYNJMTVDMFF-MRXNPFEDSA-N 436.668 4.484 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCC(=O)N3)CC2=O 587456580 RLFVSGKLHYMFKV-JOCHJYFZSA-N 444.325 4.485 50 1 IIGF C[C@H](Oc1cccc(O[C@@H]2O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1)C(=O)O 103179115 BHQBSSXHCHYQFM-ZGMGLCBDSA-N 448.512 4.125 50 1 IIGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1)CC=CC(C)(C)OO 2356739394 WTBRDXOTECDHCP-RLOMUNTMSA-N 430.541 4.432 50 1 IIGF CC1=C[C@H](O)[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 2356818868 DXEYHWFMHUQAKH-JIGBKUHMSA-N 428.592 4.365 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587546297 VMVTVPCKRZPHSG-MXMTWJBOSA-N 441.867 4.106 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N)cc2)N1 587674579 XQKOCYQXWUQCQT-DYZYQPBXSA-N 428.143 4.343 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687282 ZPHYWMGMNSISJF-DDBGAENHSA-N 435.765 4.470 50 1 IIGF COc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1O 299816643 KTTHRIRCURRCDY-UHFFFAOYSA-N 446.532 4.193 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCCl)(c2ccccc2)N1 587685250 OUYLAFHDGVIHKQ-RBZFPXEDSA-N 439.756 4.111 50 1 IIGF O=C(CN1CCC(Cl)CC1)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 653721511 SRRZNTSQMBBURS-JOCHJYFZSA-N 449.938 4.174 50 1 IIGF Cc1cc2c(cc1F)[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1Br)NCC2 962370944 FRTZENBNNBFIGS-IRLDBZIGSA-N 447.348 4.281 50 1 IIGF COc1ccc2c(c1OC)[C@H]([C@H](Br)C(C)C)N(C(=O)c1ccccc1N)CC2 963155555 HWJXYJLFFXPKKZ-WOJBJXKFSA-N 447.373 4.445 50 1 IIGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 1772648614 HAWOKTVBTNWRMU-RBUKOAKNSA-N 448.306 4.432 50 1 IIGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1ccccc1Cl 1857552505 FIAKYLPANBUHCQ-AUEPDCJTSA-N 434.279 4.181 50 1 IIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495104 BSSKMMMHUSDBNQ-SIKLNZKXSA-N 439.309 4.108 50 1 IIGF COCCCN1CCc2ccc(OC)cc2[C@@]1([C@H](C)Br)[C@@H](C)Br 961327885 VQXXEJGDHNNOQQ-UOIKSKOESA-N 449.227 4.352 50 1 IIGF COc1cccc([C@]2(CBr)c3ccsc3CCN2Cc2cccn2C)n1 962378445 YJJLFDOUBLNSGV-FQEVSTJZSA-N 432.387 4.187 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544248 NHGJFVYXFUXRRY-OIAISFKWSA-N 433.888 4.245 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2)N1 587673133 KNCCNZFARDGQQX-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF O=C(O)c1ccc(-n2cc(/C=N/NC(=O)c3ccc(F)cc3)c(-c3ccccc3)n2)cc1 1772590470 JZIOLHYUVNJUDA-VULFUBBASA-N 428.423 4.141 50 1 IIGF C=C(C)[C@H](CC[C@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@H]1C=COC(=O)C=C(C)C)OO 2356530853 UJJUMNMPDZRFHA-MTQWNXOMSA-N 448.556 4.333 50 1 IIGF COc1cc([C@H]2C(C=O)=C(Cl)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 72171998 JOSKOAWVQLBTNZ-KRWDZBQOSA-N 434.872 4.033 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587843767 JISUVDMCTXTFJO-ADLMAVQZSA-N 436.306 4.488 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 84616803 ATNQMFIQXDXHBR-ZVHZXABRSA-N 445.504 4.387 50 1 IIGF CC(C)OCCOc1n[nH]c2ccc([C@@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@H]3C#N)cc12 169694602 XKLICQWRYRXPHA-BBRMVZONSA-N 449.408 4.353 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)cc1 587874841 IHXALCZSVNDQOJ-UHFFFAOYSA-N 439.136 4.281 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587706223 PKMUZPLGQGZZQU-CRPZRDSHSA-N 428.651 4.467 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587687305 ZVZDAHPOHHYKMA-MPBGBICISA-N 437.740 4.124 50 1 IIGF CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(cc4CN[C@H]3[C@@H]2O1)OCO5 195234340 PVKVQLPSYKSJFC-BQJUDKOJSA-N 431.605 4.195 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587683227 GAEPSXDXLNNNIL-BIBXISHDSA-N 437.740 4.490 50 1 IIGF O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103284662 RSRXKXLIPZCCOJ-KGLIPLIRSA-N 442.759 4.264 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)c1 587544531 OAOICVQAUJNMKX-URXFXBBRSA-N 447.878 4.377 50 1 IIGF O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587620775 GXBZOKPLUBBCDS-UHFFFAOYSA-N 443.688 4.342 50 1 IIGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)o1 1772615668 QWXMRSVRGHLYQZ-ZVHZXABRSA-N 443.419 4.084 50 1 IIGF COc1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(O)c(OC)c2)ccc1O 103191813 JATJEKVFECUQNF-MVLVPLOLSA-N 432.476 4.444 50 1 IIGF CN(C)c1cc[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)cc1 95596134 SJWBKFOWVMPQNF-JOCHJYFZSA-N 438.536 4.384 50 1 IIGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O 587410996 ASMHFJOZQKXAJF-NOHHUPRQSA-N 439.309 4.070 50 1 IIGF COc1ccnc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537628 JFRGJWOFRQNXGE-WIYYLYMNSA-N 442.265 4.048 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2)N1 587673134 KNCCNZFARDGQQX-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(C#N)=C/N(C)C)(C(F)(F)F)N1 587705030 KPQQWQBDFZVWOT-SRFSNDPISA-N 432.259 4.405 50 1 IIGF CC[C@H](C)[C@@H]1[C@H]2C=C3[C@H]([C@@H](C)C[C@@H](C)[C@H]3OC(=O)CCC(=O)OC)[C@@]1(C)C(=CC=O)O2 2356508124 CETRZRNQBVTCKB-NKSQHJLNSA-N 432.557 4.234 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2O)N1 587673916 RKYVUFBTGYKOLW-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF CCOC(=O)C1([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587674169 UDNSKRQIOUCQAD-DYZYQPBXSA-N 449.158 4.056 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587687304 ZVZDAHPOHHYKMA-FKIZINRSSA-N 437.740 4.124 50 1 IIGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C[S@@](=O)c2ccccc2)N1 40676847 JAISNYAJIFJKPM-RQZFFVEVSA-N 446.450 4.336 50 1 IIGF O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587546379 WISWMCZYCLJICW-URXFXBBRSA-N 435.863 4.373 50 1 IIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N2CCCC2)cc1 95809365 PAVHOEIDUYVOTF-LGUFXXKBSA-N 436.556 4.422 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 587727218 BBFFIRZTTBSNOM-NQQFHWGISA-N 432.312 4.474 50 1 IIGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962650756 ZVIHZCXDPRXZEQ-RMNNGRMQSA-N 430.882 4.483 50 1 IIGF Cc1ccc(-c2cs/c(=N/NC(=O)CSc3ncccn3)n2-c2ccccc2)cc1 103238670 IHEBHJRKQNWLQS-XTCLZLMSSA-N 433.562 4.028 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911570965 ZUBDSSJCRLZATJ-QFIPXVFZSA-N 438.439 4.392 50 1 IIGF CCc1ccc(N2C(=O)/C(=C(/C)NNC(=O)c3ccc(C(=O)O)cc3)c3ccccc32)cc1 58638748 FXLATQAVXOKVIL-KQWNVCNZSA-N 441.487 4.291 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)O2 587371572 GWEDRKXNVXOASP-RRBXVBTKSA-N 439.350 4.122 50 1 IIGF COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1 8683095 IDENMZZQOVIJOU-LSFURLLWSA-N 447.720 4.120 50 3 IIGF aggregator COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O 587412919 KIAPLORBNAFCMD-BTYIYWSLSA-N 426.266 4.388 50 1 IIGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C)ccc2[nH]1)C[C@H]3CCl 49115177 GKIXGBGZKFFKFT-CYBMUJFWSA-N 437.883 4.433 50 1 IIGF COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)C(C)C)cc1Cl 66136257 IYTRAPWDEQLLQK-NRFANRHFSA-N 437.367 4.304 50 1 IIGF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84671591 JRFQTWCRCSYLPZ-LNWMEUCHSA-N 434.532 4.471 50 1 IIGF CS(=O)(=O)c1cc(F)cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c12 96913717 MJRZMARXOJNZFK-LBPRGKRZSA-N 445.903 4.175 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC(=O)N4)([C@@H](C)Br)[C@@H](C2)C3=O 587415484 TZMBRPBPXPGSEB-VMLDOPRJSA-N 442.309 4.006 50 1 IIGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)CO)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@]12C 2356448063 NUVPMECBNLBBBB-PRKLRVOVSA-N 439.036 4.233 50 1 IIGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 40880226 PLSSLDXRSXJWNP-XZVFWACVSA-N 437.459 4.471 50 1 IIGF Cc1cc([C@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962732072 WKBUMOBAZYHYMY-WMZOPIPTSA-N 430.239 4.418 50 1 IIGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1ccc(CBr)cc1)NCC2 962919566 PVEGQFWUZOGRHJ-GOSISDBHSA-N 441.211 4.223 50 1 IIGF Cc1cc([C@@]2(CCl)NCCc3nc4ccccn4c32)c(C)n1-c1ccc2c(c1)OCCO2 962980037 BMGXACSWCHJCPU-RUZDIDTESA-N 448.954 4.141 50 1 IIGF CC(=O)O/C=C1\CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 238786628 MUXFWFVUPRRJJA-XXIAPEGBSA-N 430.497 4.094 50 1 IIGF COc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(OC)cc3)NCCc3ccc(O)cc32)cc1 963341148 LSCJFVHGBOCTCA-RPBOFIJWSA-N 437.923 4.289 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(-c3cccnn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772577731 MAMPFYQGULZHLK-NRFANRHFSA-N 440.429 4.222 50 1 IIGF COc1ccc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)cc1OC 29037306 GZCHUPYMRXJGCL-UHFFFAOYSA-N 446.931 4.268 50 1 IIGF COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)C(C)C)cc1Cl 66136258 IYTRAPWDEQLLQK-OAQYLSRUSA-N 437.367 4.304 50 1 IIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 58581675 UUMBYOQRAZEEKL-QJOMJCCJSA-N 441.487 4.346 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587850546 ZTEIAJODHYAWGC-XTZNXHDOSA-N 445.785 4.368 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962376161 USHYULYSOQRECW-QHCPKHFHSA-N 428.001 4.263 50 1 IIGF COc1cc2c3c(c1)O[C@](CCl)(c1cn(-c4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O 587418610 ACMYIQPAXISADM-YWZLYKJASA-N 449.816 4.176 50 1 IIGF COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@@]12C 254048094 VGARIQOMXRAOII-VDFFLTEBSA-N 435.358 4.170 50 3 IIGF COc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84619725 PWPZCKLWTGWMRV-MFKUBSTISA-N 430.533 4.488 50 1 IIGF O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103284648 IBWNRFBJYCBNFW-KBPBESRZSA-N 442.759 4.264 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(Br)c2[nH]1 587009423 FGGZJUKZDKNEGL-INIZCTEOSA-N 431.721 4.446 50 1 IIGF CC(C)(F)[C@@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 587087528 RGYBKVMGZCREDV-ZETCQYMHSA-N 432.462 4.400 50 1 IIGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc(C#N)cc3)c12 1772589319 HKSCHEZQJDHZNQ-XODNFHPESA-N 448.408 4.383 50 1 IIGF CC(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507740 SBUBRCDVBNKFLQ-DEOSSOPVSA-N 429.919 4.483 50 1 IIGF CCOC(=O)C1([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587674168 UDNSKRQIOUCQAD-BTDLBPIBSA-N 449.158 4.056 50 1 IIGF Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008856 LYYXIKSXIDGFLG-SFHVURJKSA-N 441.663 4.010 50 1 IIGF O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103284665 MOSLFDZZDYWVIW-UONOGXRCSA-N 442.759 4.264 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 587730105 IOHODCPMIFURGO-HUOXHTIJSA-N 432.312 4.474 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849858 WQVRMKZQCPRVTP-YPMLDQLKSA-N 446.769 4.382 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(O)c2)N1 587673586 ONLFFCJRCLXMCI-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587831204 HIOJWRXPTPIHRK-FPTDNZKUSA-N 444.300 4.489 50 1 IIGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1cccnc1 299827595 PITQIDWNJSZIQN-UHFFFAOYSA-N 426.520 4.172 50 1 IIGF C/C(=N\NC(=O)/C(C#N)=N/Nc1ccc(C)cc1)c1cc2c(ccc3ccccc32)oc1=O 103291526 PKPFLSVVFZXNGU-RVHDPJJVSA-N 437.459 4.087 50 1 IIGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)[C@@H](O)[C@H]12 299857607 NYAOZNWYVPECJM-CXASHAAWSA-N 447.486 4.310 50 1 IIGF O=C(CN1CCC(Cl)CC1)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 653721512 SRRZNTSQMBBURS-QFIPXVFZSA-N 449.938 4.174 50 1 IIGF O=C(COc1ccc(Cl)cc1)NNC(=S)NCc1ccccc1-c1ccccc1 96285256 FCDMQPRDNBHPGY-UHFFFAOYSA-N 425.941 4.081 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)NCCCl)cc1 587885765 DAOPOGSMRSIETP-UHFFFAOYSA-N 438.742 4.064 50 1 IIGF C=C(C)[C@H](CC[C@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@H]1C=COC(=O)C=C(C)C)OO 2356530851 UJJUMNMPDZRFHA-APDHKMKFSA-N 448.556 4.333 50 1 IIGF CCOc1ccc2sc(SCc3cc(/C=C(\C#N)C(N)=O)cc(OC)c3O)nc2c1 40719853 MBPCXTWLUUAEKF-AWNIVKPZSA-N 441.534 4.094 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587457871 CRKKBNYRYNTTIW-HYPSKJLKSA-N 437.330 4.333 50 1 IIGF C[C@@H]1CC[C@@H]2[C@](C)(Br)[C@H](Nc3nccs3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100862123 MLZKOJFIFLLJPG-LAEWIUEOSA-N 445.379 4.281 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2Br 587683273 OJKXSZVXCVXSNZ-AHBCHLHISA-N 439.122 4.326 50 1 IIGF CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C\C=C\c1ccccc1 15974552 XPOMMMRJNRNXPE-SWOKZOMYSA-N 429.520 4.175 50 1 IIGF O=C(NNC(=S)Nc1cccc(Cl)c1)c1cnc2c(C(F)(F)F)cccc2c1O 73139930 IFCAYSMZRPZLLC-UHFFFAOYSA-N 440.834 4.244 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2)N1 587673025 JRVGQWODAGVNKO-BMLIUANNSA-N 429.127 4.467 50 1 IIGF C[C@@H](C(=O)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@@]35OO4)cc1 103179096 BNLIOPSAVGLUNR-NPVBYKFBSA-N 432.513 4.462 50 1 IIGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1[C@]21c2c(cnn2C)CCN1C 963953518 AIOPGYUVUUMKQJ-UFHPHHKVSA-N 433.559 4.369 50 1 IIGF COc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1O 84618328 KTTHRIRCURRCDY-QFEZKATASA-N 446.532 4.193 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)O2 587373688 MYORBAVBMBHEJR-APWZRJJASA-N 438.705 4.330 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848896 PNZGWSGDAHFSQD-XTZNXHDOSA-N 445.785 4.302 50 1 IIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 962892932 HRCJYBQDEMVJJW-REWPJTCUSA-N 440.858 4.482 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OC)cc1)CC2=O 587455857 GXYQAUQTVHNOOE-OAQYLSRUSA-N 433.298 4.387 50 1 IIGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCC[C@H]2CCBr 963156237 ZKGLNRFBXRAFNB-RRUGBERISA-N 445.379 4.170 50 1 IIGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587670073 IAXOKPSULPMAJU-KCWFYHRYSA-N 437.147 4.054 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2O)N1 587674683 ZGQFEUXRQYHVGW-HUTHGQBESA-N 445.126 4.172 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2Br 587680301 IJMRKKHKDQAABP-AHBCHLHISA-N 439.122 4.326 50 1 IIGF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(CCCCCl)c21 45283632 SRZGOICFOXLMKD-UHFFFAOYSA-N 443.843 4.038 50 1 IIGF O=C(CCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328933 WQTWPXPIFXITIL-LADGPHEKSA-N 439.870 4.141 50 1 IIGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 38153928 XWEWYPHUCFKDHV-GOSISDBHSA-N 430.302 4.116 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCCl)(c2ccccc2)N1 587685252 OUYLAFHDGVIHKQ-XCLFUZPHSA-N 439.756 4.111 50 1 IIGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CBr)[C@H]1c1ccccc1 254134045 SASPGZYNFQKABL-LMNJBCLMSA-N 446.341 4.263 50 1 IIGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCCl)(c2ccc(Br)cc2F)N1 962914172 RZDIVSYJBPLWSI-WMZOPIPTSA-N 430.676 4.199 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](C2CC2)([C@H](Cl)C(=O)C(F)F)N1 963175705 HFWDPQITKLMYGL-NORZTCDRSA-N 446.199 4.005 50 1 IIGF NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 103220621 RTMCZBYNDGMETR-VULFUBBASA-N 441.447 4.102 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587682159 BNUAIYAASGPFMR-ZRNGKTOUSA-N 443.744 4.336 50 1 IIGF CC(C)(C)OC(=O)N1C[C@@H](Br)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500375 WPFGIDKOACYRNK-DYESRHJHSA-N 436.346 4.284 50 1 IIGF Cc1csc([C@H](C#N)[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587615959 YEYHYRUGICYLML-LFRPXUGBSA-N 426.881 4.404 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2O)N1 587673915 RKYVUFBTGYKOLW-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 587685407 QISVHNZKLIUMSA-MGNBDDOMSA-N 426.717 4.095 50 1 IIGF O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103284670 MOSLFDZZDYWVIW-KGLIPLIRSA-N 442.759 4.264 50 1 IIGF CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CBr)[C@@H]1c1ccccc1 169341704 SASPGZYNFQKABL-HFSMHLIXSA-N 446.341 4.263 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 587687228 ZGKNIUJDCFUYTO-BUXKBTBVSA-N 425.729 4.197 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 587687226 ZGKNIUJDCFUYTO-BLVKFPJESA-N 425.729 4.197 50 1 IIGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(NC=O)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@@H]1Cl 39034671 HOYYQIWHSWIVNZ-QJUHQHJTSA-N 443.053 4.105 50 1 IIGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C 254132366 NDFLJHPVBZAPPR-UHFFFAOYSA-N 440.219 4.218 50 1 IIGF O=C(CCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328931 WQTWPXPIFXITIL-ISKFKSNPSA-N 439.870 4.141 50 1 IIGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688345 LLUYZHRIGMUPAU-RDBACFOTSA-N 426.713 4.471 50 1 IIGF CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704742 JVRDJTHTPSGBCC-FDHQVAJDSA-N 432.639 4.051 50 1 IIGF Cc1c(O)ccc2c1[C@@]([C@@H](C)Br)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963474986 YGNGWZLGKOHBOY-UVQUFPMPSA-N 430.342 4.010 50 1 IIGF CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2N1 587104373 RWZHAEYALPOMLS-XMMPIXPASA-N 429.907 4.336 50 1 IIGF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@@H](Cl)C3)co2)cc1 40763381 IWBXEBVLFWZMSR-HXUWFJFHSA-N 437.927 4.044 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169371133 GWMJXQKGFJSHTF-WAAXHAEHSA-N 439.350 4.219 50 1 IIGF COc1ccc2c(c1OC)[C@]1(C(C#N)=COc3cc(Br)ccc31)N(C)[C@H](C)C2 962619490 CYGNVIVIRHRGKA-MCMMXHMISA-N 441.325 4.386 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3nccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169339957 MLZKOJFIFLLJPG-UEORGQEWSA-N 445.379 4.281 50 1 IIGF C[C@@]1(c2cccc3nc(CCl)oc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962630727 FOZYHVPSWYAIHU-BJKOFHAPSA-N 435.911 4.477 50 1 IIGF O=C(N/N=C\c1ccccc1C(=O)O)c1ccc(COc2cccc3cccnc23)cc1 12488277 SVRZMMNVGRMLOP-DICXZTSXSA-N 425.444 4.276 50 1 IIGF COc1ccc(C2=NN(CCCCCBr)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 40934154 BKWWNLJWEVOUOL-SJORKVTESA-N 435.362 4.398 50 1 IIGF O=C(Oc1ccc(I)cc1)c1cc2cc(CCl)ccc2oc1=O 13676416 FPQJQHKKHUJQKO-UHFFFAOYSA-N 440.620 4.356 50 1 IIGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cn2nnc3ccccc32)[C@@H]1c1ccc(F)cc1 587330013 ZNYWYKGKPJASGS-GGAORHGYSA-N 437.858 4.313 50 1 IIGF NS(=O)(=O)c1cc(-c2nnc(CCl)o2)c(Cl)cc1SCc1ccccc1 1772589431 NSSMUONXQDEUTA-UHFFFAOYSA-N 430.338 4.069 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)O2 587370943 CUJFCRNDLZFGOA-LAJNKCICSA-N 429.314 4.419 50 1 IIGF CCOC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(CC)c1C 587416927 GHUAAUYSHKLINA-WAIKUNEKSA-N 431.916 4.192 50 1 IIGF C[C@@H](C(=O)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 103179100 BNLIOPSAVGLUNR-LNEVKRTPSA-N 432.513 4.462 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587844881 CLRDJIQWONYAIF-YPMLDQLKSA-N 445.785 4.302 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NCc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101917953 BHEURBJFAOJJHD-MIVUQFJWSA-N 429.557 4.334 50 1 IIGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@@](C)(CC=CC(C)(C)OO)[C@H]1C=COC(=O)C=C(C)C 2356626772 IWBJGUXNIZBHTO-STWLZBDKSA-N 448.556 4.333 50 1 IIGF CCCCC(Br)(Br)[C@H](O)C(Br)Br 85922000 RWYRBXGJDAZXPL-RXMQYKEDSA-N 431.788 4.140 50 1 IIGF biogenic CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@]3(C)O 254239047 WNGMEQXERFPHIP-GTCSDELNSA-N 428.592 4.365 50 1 IIGF COC(=O)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587845246 DAPINZYKNFMGSA-YPMLDQLKSA-N 446.769 4.382 50 1 IIGF COC(=O)C1=CN(c2ccc(C(C)(C)C)cc2)C(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 95571323 FRFFSJHGRCPDKY-NRFANRHFSA-N 432.480 4.247 50 3 IIGF O=C(NCCCCBr)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O 299861199 KWMWOGVZDMJCGG-UHFFFAOYSA-N 431.305 4.094 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)cc(O)n4C)([C@H](C)Br)[C@@H](C2)C3=O 587415338 RFUGSNISEBABOP-PSIMQFQVSA-N 442.309 4.319 50 1 IIGF Cc1cc(NCCN(C)C)nc2sc(C(=O)N/N=C/c3cccc4ccccc34)c(N)c12 71317606 XFJRPFOPRPNCPR-MZJWZYIUSA-N 446.580 4.078 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OC)s1)CC2=O 587492919 DBPDJEDPJJYMCI-LJQANCHMSA-N 439.327 4.448 50 1 IIGF Cc1cc2c(cc1O)[C@@](CCl)(c1ccc(NC(=O)OC(C)(C)C)cc1)N[C@H](C(=O)O)C2 963526269 OCEDMYFGPVYTBQ-FDDCHVKYSA-N 446.931 4.129 50 1 IIGF CN1CCN(CC(=O)n2cc(/C(C#N)=C/c3cccc4cnccc34)c3ccccc32)CC1 1857576130 VRSUHMRVZBPINZ-PXLXIMEGSA-N 435.531 4.141 50 1 IIGF C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653716 AMBNVINZMXRFTG-HYBUGGRVSA-N 440.423 4.476 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(O)ccc2O)N1 587673802 QDQWLDGIBLTHLJ-VVVCHXIZSA-N 445.126 4.172 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3nccs3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43871604 MLZKOJFIFLLJPG-QWEGBGGGSA-N 445.379 4.281 50 1 IIGF O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2)cc1O 653838540 VIBDVXFQEOZHMH-ZMOGYAJESA-N 433.489 4.355 50 1 IIGF O=C(N/N=C/c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)c1cc(O)c(O)c(O)c1 653884738 CUERTSCVCSCXSN-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF CCc1ccccc1C(=O)N=c1[nH]n(C)c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12 1857619257 YNHDSQWURGMKPH-UHFFFAOYSA-N 436.519 4.092 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2C(CBr)(CBr)N1 587673863 QZHVLKPAOMHNPE-SSDOTTSWSA-N 429.953 4.108 50 1 IIGF C[C@H](Cn1ccnc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32)O[Si](C)(C)C(C)(C)C 963017626 DAWOIFMGBDCKEQ-JLHGSKIFSA-N 440.664 4.436 50 1 IIGF CC(=O)O/C=C1\CCC/C(C=O)=C/C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 238786629 MUXFWFVUPRRJJA-VBEDNODASA-N 430.497 4.094 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)cc(O)n4C)([C@@H](C)Br)[C@@H](C2)C3=O 587415340 RFUGSNISEBABOP-ZQNCNBDLSA-N 442.309 4.319 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418153 SAZOBIDXKCHLDA-HPUNGOCYSA-N 435.303 4.498 50 1 IIGF COc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1CCl 962623617 BQTVDCDLHDVVLY-IFXJQAMLSA-N 429.822 4.195 50 1 IIGF COC(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)=C(C(SC)SC)[C@]1(O)c1ccccc1 34705242 GDWNVIPWNAMZDP-GREBRCKQSA-N 425.575 4.333 50 1 IIGF biogenic CC(C)(C)OC(=O)NCCCNC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 73195751 CRMMJMBWQHTDBE-UHFFFAOYSA-N 436.593 4.261 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587690171 ZTYBQUBFIVAEJX-XCJKDKRRSA-N 443.744 4.222 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(Br)c1OC 40781852 UWEXMNTVVCCKMY-SFHVURJKSA-N 440.297 4.176 50 1 IIGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C 138038623 IWBJGUXNIZBHTO-TVMFGEKRSA-N 448.556 4.333 50 1 IIGF CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928427 AUTDVUKWXMFPIY-UHFFFAOYSA-N 428.408 4.436 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)c1 587544532 OAOICVQAUJNMKX-XUZZJYLKSA-N 447.878 4.377 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587843770 JISUVDMCTXTFJO-BBATYDOGSA-N 436.306 4.488 50 1 IIGF COc1ccnc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537627 JFRGJWOFRQNXGE-RXVVDRJESA-N 442.265 4.048 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)CC2=O 587465811 HSHZFMRTGOYYAH-HSZRJFAPSA-N 433.907 4.262 50 1 IIGF COC(=O)c1cccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587688771 OBNLAYZNNLAZIL-JEOXALJRSA-N 426.713 4.391 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc(Br)c1OC 34392445 OYSNFWFWWNCTSC-QGZVFWFLSA-N 438.281 4.233 50 1 IIGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C 95562296 NDFLJHPVBZAPPR-LIMNOBDPSA-N 440.219 4.218 50 1 IIGF N[C@@H](CP(=O)(O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586923343 RUKQAJQFYXSRGH-LURJTMIESA-N 446.132 4.160 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587686684 DGIYNEMXFXFKCY-APBUJDDRSA-N 441.728 4.269 50 1 IIGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 1857574981 CEMHYCNJXWRLQH-HUUCEWRRSA-N 437.308 4.186 50 1 IIGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN4CCC4=O)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 73197765 XTRSXYIHSDLQAO-GZMWBSFESA-N 425.617 4.446 50 1 IIGF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I 101423929 VNWRDBPBVSYXIU-FSXHZVNWSA-N 426.338 4.437 50 1 IIGF Cc1c(C(=O)NCCOc2ccccc2)cnc2c([C@@H]3CC[C@@H](Cl)[C@@H](Cl)C3)cnn12 914431327 BHDJYYFELGTSTL-YSGRDPCXSA-N 447.366 4.329 50 1 IIGF COc1cc(C(=O)N/N=C/C2=C(Cl)c3ccccc3CCC2)c([N+](=O)[O-])cc1OC 299825350 LVSRHKSHZFUFKF-FSJBWODESA-N 429.860 4.314 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682898 DZKSUWKIWMCZII-YUNKPMOVSA-N 439.756 4.241 50 1 IIGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NC2CCOCC2)cc(C(F)(F)F)c1 1857650792 FDINEBRHZFEHGZ-UHFFFAOYSA-N 434.886 4.232 50 1 IIGF C[C@@H]1C=CC[C@@H]2O[C@@H]2C[C@@H](Cl)[C@H]2C[C@@H](O1)[C@H](C(Br)=CBr)O2 2356473683 NRMNKXJIZZEMND-UWVXQSGVSA-N 442.575 4.274 50 1 IIGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 40631789 WNTAWOKCXXOSLF-WNGCJKCESA-N 434.418 4.145 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1Br 587458183 HHRFUSUCRNGSLZ-OXQOHEQNSA-N 440.334 4.063 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCCl)(c2ccccc2)N1 587686166 SVPZQMVSJBQJQT-RBZFPXEDSA-N 439.756 4.111 50 1 IIGF CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704741 JVRDJTHTPSGBCC-ATMGAIRJSA-N 432.639 4.051 50 1 IIGF CCOC(=O)[C@@H](Cl)[C@@]1(C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963854308 NOSZWQFLQWFVFV-YBOAYWMSSA-N 439.936 4.017 50 1 IIGF COC(=O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612220 IXIZIRKHXPNRGJ-KNQAVFIVSA-N 444.892 4.265 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 587687208 ZDFXLVHTAHNDAE-JEOXALJRSA-N 426.713 4.376 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@H]23)c(C)c1Cl 2356565781 KWJJPEZBNLGOFB-UDPUEKFFSA-N 448.943 4.220 50 1 IIGF COC(=O)c1ccc(CO[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 169339965 LMZFUTLREPSZGJ-SDIPRESRSA-N 432.513 4.198 50 1 IIGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Br)c(NC(=O)CCl)c2c1 587648515 GDVSRTZICRSQBK-UHFFFAOYSA-N 441.734 4.178 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2noc(CCl)n2)c1 587881801 BZVMBNMYBVYPRL-UHFFFAOYSA-N 434.710 4.493 50 1 IIGF O=C(CCCCl)Nc1ccc2c(c1NC(=O)CCCCl)C(=O)c1ccccc1C2=O 82151029 ALDIFNVKPRZJLA-UHFFFAOYSA-N 447.318 4.377 50 1 IIGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237191 WWAHSICWKIDMSH-MPZARTNMSA-N 447.279 4.139 50 1 IIGF COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl 85635055 QETHRCCHQRWBIJ-XZOARPSASA-N 448.943 4.220 50 1 IIGF in-man COC(=O)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849856 WQVRMKZQCPRVTP-MLCYQJTMSA-N 446.769 4.382 50 1 IIGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720082 ZRPQANTVVCIVED-XAEMIUIASA-N 432.992 4.176 50 1 IIGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(C(F)(F)F)N1C(=O)c1ccccc1 963473095 QRVPWBQBVHOOIT-OXJNMPFZSA-N 436.817 4.316 50 1 IIGF COc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84619722 PWPZCKLWTGWMRV-MYYYXRDXSA-N 430.533 4.488 50 1 IIGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CBr)[C@@H]1c1ccccc1 100102352 SASPGZYNFQKABL-YFVAEKQCSA-N 446.341 4.263 50 1 IIGF Cc1cc2c(cc1C)[C@]1(C(C=O)=C(N)O2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188197 AFXVCILJLXNTKH-LSYYVWMOSA-N 435.527 4.432 50 1 IIGF O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Cl)c(F)c1 73157910 OTIMRTFURBIUHD-YCPBAFNGSA-N 440.887 4.068 50 1 IIGF C[C@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884199 ICNKGRBVVOIAJH-AWEZNQCLSA-N 437.754 4.120 50 1 IIGF CN(C)c1ccc(/C=N/NC(=O)Cn2c(C3CC3)nc3cc(Cl)c(Cl)cc32)cc1 1772580539 NYZBLRXVQVPGGS-BHGWPJFGSA-N 430.339 4.437 50 1 IIGF Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326463 LMPIFLWLYXRFTC-UGKGYDQZSA-N 429.831 4.025 50 1 IIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc3c(c2)NC(=O)CO3)N1 962943253 GFVYXTIXGIIGQC-FPTDNZKUSA-N 440.341 4.062 50 1 IIGF CNc1ccc2c(c1)N(C(=O)c1cc3cc(OC)c(OC)c(OC)c3[nH]1)C[C@H]2CCl 5580287 ZWDCICQWTICBQY-CYBMUJFWSA-N 429.904 4.218 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424634 QNFGXMSKKMGILE-DCXZOGHSSA-N 449.169 4.429 50 1 IIGF O=C(N/N=C/c1cccs1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1 1857755961 WTRGOIFHWTUUOA-NSKAYECMSA-N 446.458 4.402 50 1 IIGF CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704743 JVRDJTHTPSGBCC-FMCKTDMXSA-N 432.639 4.051 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1OCCBr 587874601 CRVJKZLZMQMYMR-UHFFFAOYSA-N 441.152 4.478 50 1 IIGF O=C(CBr)N(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 53229868 XOLGJVQMYMQCNT-UHFFFAOYSA-N 429.144 4.172 50 1 IIGF C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccc(Br)cc1 73196703 WFLMNSXWKSYGNF-GJSJWPQCSA-N 435.119 4.391 50 1 IIGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)Cc1ccccc1 587272940 FAUGBDLUUBVIKF-GFCCVEGCSA-N 439.103 4.272 50 1 IIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@H](Cl)C[C@@H]1Cl 2356580856 CGQNAFNBYGFLTH-DZTUFKMZSA-N 426.178 4.434 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc([N+](=O)[O-])cc1 84587300 WXQWUKGLBRCFEX-OYKKKHCWSA-N 445.504 4.387 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1cc2c3c(c1)cc(O)n3CCC2 963049727 ALGICLIOKXYPSY-RUZDIDTESA-N 433.939 4.478 50 1 IIGF COC(=O)C1=CN(c2ccc(C(C)(C)C)cc2)C(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 95571322 FRFFSJHGRCPDKY-OAQYLSRUSA-N 432.480 4.247 50 3 IIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 58591022 GCEGBTCFMDYQBF-JCMHNJIXSA-N 445.450 4.176 50 1 IIGF C[C@@H]1O[C@H](C=C=CBr)C[C@@H]2O[C@@]3(CC[C@@H](O3)[C@H]1Cl)C[C@H]2Br 146202469 NDEGXLOZTNFBJT-XTGOFRAJSA-N 442.575 4.263 50 1 IIGF CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702437 DUHRAEXDXLZHFX-UEXBWHTRSA-N 432.639 4.051 50 1 IIGF C=C1C[C@@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 195371644 MRBZRDGTPZIYOC-MFPUESCJSA-N 436.545 4.048 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 587846560 ICLYVFRJVUBCBP-HUTHGQBESA-N 432.742 4.293 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(CBr)cc1)(C(F)(F)F)NCC2 962919603 BPMFYIMRMGWUHP-IBGZPJMESA-N 441.291 4.235 50 1 IIGF C[C@@H]1[C@@H](n2cc(-c3ccc(F)cc3)nn2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 102345940 PIVSJHSNHHNFEF-SWFQBYHISA-N 429.492 4.465 50 1 IIGF COC(=O)c1cccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689956 XZSBFQPENUYPFR-NSPYISDASA-N 426.713 4.391 50 1 IIGF C=C(C)[C@H](CCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)OO 2356335456 AFCSVFPVLSEQQA-QCTFRZATSA-N 430.541 4.432 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O 587412615 JFWNJQLGYSLUGQ-PGRDOPGGSA-N 428.326 4.333 50 1 IIGF COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CI)cc1 653810095 VGXSLMKOPYEMPR-UHFFFAOYSA-N 435.217 4.046 50 1 IIGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 962714857 WATQESLAETUONK-HNNXBMFYSA-N 437.256 4.481 50 1 IIGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(F)ccc2[nH]1)C[C@H]3CCl 49784472 SVTNEVYZIWULFL-LLVKDONJSA-N 441.846 4.263 50 1 IIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@H](Cl)C[C@H]1Cl 2356580857 CGQNAFNBYGFLTH-FFRIZKCHSA-N 426.178 4.434 50 1 IIGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccccc1F)C(=O)c1ccccc1C2=O 73200208 YJENEXYTTJYGAZ-UHFFFAOYSA-N 436.826 4.031 50 1 IIGF COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl 15115452 QETHRCCHQRWBIJ-RJPCOFTLSA-N 448.943 4.220 50 1 IIGF endogenous,in-man CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(CBr)c1)(C(F)(F)F)NCC2 962920532 BQPUZKQHYZUTMO-IBGZPJMESA-N 441.291 4.235 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587412834 CPZUBMLCEJEONE-JTSKRJEESA-N 439.309 4.227 50 1 IIGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 138714559 HWMNYSSRAMHIFI-UHFFFAOYSA-N 443.415 4.302 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685697 RGZWVBJDRBLMPP-MPBGBICISA-N 439.756 4.241 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(Br)c1OC 40762247 RFVNLXAKNGXLLP-GOSISDBHSA-N 438.281 4.233 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)cc2[nH]1 587009867 WJSUEHXRVGRSPW-KRWDZBQOSA-N 431.721 4.446 50 1 IIGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(OCc2cnc(Cl)s2)cc1 98082759 KFPYFFWRZMUGOU-HNENSFHCSA-N 449.960 4.232 50 1 IIGF O=C1C=C/C(=C/NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)C=C1O 13110665 VNIYOACZLKISNR-VKAVYKQESA-N 429.501 4.226 50 3 IIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1Br 587458181 HHRFUSUCRNGSLZ-JXFKEZNVSA-N 440.334 4.063 50 1 IIGF C[C@]1(c2cccc3nc(CCl)oc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962630734 FOZYHVPSWYAIHU-RPWUZVMVSA-N 435.911 4.477 50 1 IIGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 2356405253 MUXFWFVUPRRJJA-AGILITTLSA-N 430.497 4.094 50 1 IIGF CC(C)(Cl)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(N=C=S)[C@@H]3CC[C@](C)(NC=O)[C@H](O)[C@H]32)O1 2356545192 NZJBVTRZEMHWOO-PKZLQFGQSA-N 443.053 4.105 50 1 IIGF C[C@H](Oc1cccc(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)c1)C(=O)O 103179118 BHQBSSXHCHYQFM-HXBZRDPDSA-N 448.512 4.125 50 1 IIGF O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103284645 IBWNRFBJYCBNFW-ZIAGYGMSSA-N 442.759 4.264 50 1 IIGF NNC(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998703 NVLFEENAUNKUHY-UHFFFAOYSA-N 437.297 4.175 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cc2noc(CCl)n2)c1 587882925 NPQSWLNXJZKMGW-UHFFFAOYSA-N 448.737 4.416 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 587678469 COXYXIMTSJQTTG-GOGLXCQPSA-N 433.159 4.470 50 1 IIGF C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43100696 QDIRWKHTZOWACV-JWYNJWGYSA-N 430.282 4.174 50 1 IIGF COc1ccc(CO[C@]2(C)CC[C@@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 139348074 CARVDRVVWOJGKC-GOUWZUTHSA-N 446.565 4.334 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CCC)[C@H](Br)[C@H]1Cl)OC(C)=O 2356545768 ZISJSYRNBYDCQF-FQMQPWHVSA-N 426.178 4.434 50 1 IIGF C[C@](O)(CNc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970260 JWQHOPISDLFXKQ-KRWDZBQOSA-N 440.403 4.150 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl 15115450 QETHRCCHQRWBIJ-NXWVSEADSA-N 448.943 4.220 50 1 IIGF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 587370810 BSZSRDLLBHOKRP-VWLOTQADSA-N 446.890 4.208 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 587683991 IUPWHPOUKYVNRL-WLRWDXFRSA-N 426.713 4.376 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C(=O)CBr 587875344 SJEKANUNUDQBGQ-UHFFFAOYSA-N 439.136 4.281 50 1 IIGF C[C@@H]1C=CC[C@@H]2O[C@@H]2C[C@H](Cl)[C@H]2C[C@@H](O1)[C@H](C(Br)=CBr)O2 2356473682 NRMNKXJIZZEMND-SRUQWXTNSA-N 442.575 4.274 50 1 IIGF CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572593 SNHKJRATAZAYJB-JPHXOUIMSA-N 430.435 4.357 50 1 IIGF C[C@]12C=C3C(=O)O[C@@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934070 CCWNFZNBBAIQRF-UKAVVXHISA-N 429.812 4.351 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/C=C\N(C)C)(C(F)(F)F)N1 587703861 HPBRGDJMYXATFO-VLWAVEQVSA-N 432.259 4.405 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(O)nc2c3ccc3ccccc32)cc1OC 1857615989 VYIDDPQAWUXXDT-HXUWFJFHSA-N 425.444 4.329 50 1 IIGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c(OC)c1OC 5822620 AUXOUNCEXATLHW-GFCCVEGCSA-N 445.859 4.085 50 1 IIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)Cl)cc41)[C@@H](C2)C3=O 587416719 DAEPMAWWBCEBBJ-UQBPGWFLSA-N 430.843 4.310 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587845271 DEXNYTZXDQJTAK-YPMLDQLKSA-N 445.785 4.368 50 1 IIGF O=C(O)CCCc1ccccc1C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26730214 FZEHYOZWPOWKSL-ZATLHPBMSA-N 435.524 4.238 50 1 IIGF COc1cc(/C=N/NC(=O)CSc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 72109096 VLFWGQMARNLDQO-BHGWPJFGSA-N 445.928 4.156 50 1 IIGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)c12 962638643 NIXMBNHCOCTOHL-MGPUTAFESA-N 438.833 4.456 50 1 IIGF Cc1cc(NC(=O)C[C@]2(CCl)NCCc3c2sc(C)c3C)n(-c2ccccc2)n1 963010315 NGRQKHCMXGLSEJ-JOCHJYFZSA-N 428.989 4.468 50 1 IIGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)cc2)nc2ccccc21 1772579143 BILUOARHAHWMCX-WPWMEQJKSA-N 438.487 4.118 50 1 IIGF Cc1nn(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323260 QOLLGGMTEHEDGU-CTNGQTDRSA-N 445.288 4.223 50 1 IIGF C=CCc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618750 UAMRDQPSNDHMJC-UHFFFAOYSA-N 435.889 4.353 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541273 ALMAHVWXHPZDTF-XUZZJYLKSA-N 437.879 4.124 50 1 IIGF O=C(CCl)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857606186 OWZGTMIQITVQFM-GOSISDBHSA-N 425.916 4.237 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 96284124 AFUKIIUDBLKCEI-OAQYLSRUSA-N 442.882 4.000 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 587682030 BCGVMEDEKITQGQ-YYSFKGJASA-N 425.685 4.452 50 1 IIGF CCCOc1ccc(/C=N\NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC 61887859 UAGUEUDMZQXUQE-XKZIYDEJSA-N 431.514 4.166 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587703941 HXQCIUWTNWEYCH-CRPZRDSHSA-N 428.651 4.467 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(O)c2)N1 587673580 ONLFFCJRCLXMCI-BMLIUANNSA-N 429.127 4.467 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 587686559 VTECBBKUWNMSBJ-XCLFUZPHSA-N 449.755 4.494 50 1 IIGF CC1=C(C(=O)NCc2cc(F)cc(F)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784179 LFFGPNDWDLYSJT-XLONURFBSA-N 435.467 4.101 50 1 IIGF CCCC[C@H](Br)[C@H](O)C(Br)(Br)Br 225750716 WPOPCUWPWWFOMJ-WDSKDSINSA-N 431.788 4.140 50 1 IIGF CCOCOc1ccccc1C(=O)N/N=C(\C)c1cc2cc(Br)ccc2[nH]1 95563764 GJYBELLTVXOORM-YDZHTSKRSA-N 430.302 4.457 50 1 IIGF O=CN1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587543120 IWPIBAWBAUKLFU-ZJSXRUAMSA-N 435.863 4.007 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 587689797 WIHIUFAGEHBFEG-VFGMZZLHSA-N 439.756 4.110 50 1 IIGF CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCCCl)c1C 13820798 DRXBRPWKDUDMAX-NDEPHWFRSA-N 437.974 4.383 50 1 IIGF CCOc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 38153932 FBHOBJXCWKLEEB-GOSISDBHSA-N 431.286 4.083 50 1 IIGF Cc1c(C(=O)NCCOc2ccccc2)cnc2c([C@@H]3CC[C@H](Cl)[C@H](Cl)C3)cnn12 207685721 BHDJYYFELGTSTL-UIAACRFSSA-N 447.366 4.329 50 1 IIGF in-vitro CCO[C@@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)C=C[C@]2(OO3)[C@H]1C 64447326 DPAZQDMHDAGMAM-WVZBVPNGSA-N 430.541 4.279 50 1 IIGF C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@@H]2C=CC(Cl)=C[C@H]2N1c1cccc(F)c1 261170150 SUWFUXWPCWQJNC-ULFGMLNVSA-N 433.878 4.268 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cnn(-c3ccccc3)c1C)O2 587374775 QGPDFUKESJIFGQ-NRFANRHFSA-N 426.314 4.327 50 1 IIGF COc1ccnc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587673191 LESZSMKMOFZMRO-DYZYQPBXSA-N 444.142 4.165 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)cc(O)n4C)([C@@H](C)Br)[C@@H](C2)C3=O 587415339 RFUGSNISEBABOP-VMLDOPRJSA-N 442.309 4.319 50 1 IIGF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)NCC2 962376389 PHLBFQVBRHPFNN-RUZDIDTESA-N 438.930 4.132 50 1 IIGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccc(CNC(=O)CCl)o2)cc1 587905145 MXIDJAPQIANFCT-UHFFFAOYSA-N 442.298 4.427 50 1 IIGF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCC[C@@H]4C=C[C@H](c5ccccc5)OO4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356434256 JRFQTWCRCSYLPZ-MRABKCCDSA-N 434.532 4.471 50 1 IIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2cccc(Cl)c2Cl)N1 962894173 ICJRBUTWBHZDFW-GUYCJALGSA-N 433.104 4.370 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCCC[C@@H]2Br)N1 963181849 HTDWQLDEMBFSAP-KCQAQPDRSA-N 426.660 4.491 50 1 IIGF Cc1cc2c(cc1C)[C@@]1(C(C=O)=C(N)O2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188189 AFXVCILJLXNTKH-LBNVMWSVSA-N 435.527 4.432 50 1 IIGF COc1ccc2nc(NC(=O)c3cccc(NC(=O)[C@@H](C)Br)c3)sc2c1 28954605 ISKZXFDHNOXUAC-SNVBAGLBSA-N 434.315 4.279 50 1 IIGF CC(C)[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473082028 FJRXAKZQYQIXTM-IBGZPJMESA-N 436.335 4.350 50 1 IIGF O=C(O)CCCc1ccccc1C[C@@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195217674 FZEHYOZWPOWKSL-FOCFIKDUSA-N 435.524 4.238 50 1 IIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 962892928 HRCJYBQDEMVJJW-NZQKXSOJSA-N 440.858 4.482 50 1 IIGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@@H](C)Cl)cc1 40975442 CGOQWYWCWRMMLL-WAIKUNEKSA-N 437.927 4.008 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2O)N1 587673913 RKYVUFBTGYKOLW-BMLIUANNSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 587687200 YFVRMIYKCLDPDX-GOGLXCQPSA-N 433.159 4.470 50 1 IIGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 169703243 YZSPKSVHFQXFMN-IRLDBZIGSA-N 427.464 4.069 50 1 IIGF COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)cc3)c(C)n2)cc1OC 1857546359 MPXWVORZLMRSLU-UHFFFAOYSA-N 436.537 4.014 50 1 IIGF O=C(COc1ccc(Cl)cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285284 VMHMVVSNDAABQL-UHFFFAOYSA-N 425.941 4.081 50 1 IIGF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587121617 HMKIHGWERBTHON-UHFFFAOYSA-N 433.415 4.164 50 1 IIGF N#Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr 587875238 PNDAVFJSYDDHQX-UHFFFAOYSA-N 436.136 4.470 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(CBr)n1 587877218 YSGAKASAPHYVIC-UHFFFAOYSA-N 426.141 4.188 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1ccc(Cl)cc1Cl)NCC2 962932452 PKDOFDZDEKZPBM-LJQANCHMSA-N 442.184 4.479 50 1 IIGF O=C(O)C[C@@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586890900 PLXVLQWEFHLRLV-YFKPBYRVSA-N 425.173 4.361 50 1 IIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500377 WPFGIDKOACYRNK-LAUBAEHRSA-N 436.346 4.284 50 1 IIGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](OC(C)=O)[C@H](CBr)[C@H](CC)O1 238734803 ZRNIGMYDZPOFHS-PSEGXXMFSA-N 426.178 4.291 50 1 IIGF C[C@@]1(c2cccc3nc(CCl)oc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962630739 FOZYHVPSWYAIHU-ZEQRLZLVSA-N 435.911 4.477 50 1 IIGF NC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587375660 NMRRQNMEZSPPBF-NQIIRXRSSA-N 431.872 4.185 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587682549 CQXYYRVHDWBYLH-HOGDKLEQSA-N 443.744 4.336 50 1 IIGF Cc1cc2c(cc1F)[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1Br)NCC2 962370933 FRTZENBNNBFIGS-IFMALSPDSA-N 447.348 4.281 50 1 IIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 26003686 LFOHARSFANBVRQ-CHCWYRICSA-N 436.434 4.369 50 1 IIGF COc1ccc2c(c1)[C@@H](CCNC(=O)CI)C[C@H](c1ccccc1)C2 40423365 YPOSIXAVJCRBPF-ZWKOTPCHSA-N 449.332 4.450 50 1 IIGF COc1cc(OC)cc(C(=O)NNC(=S)Nc2csc(-c3ccc(C)cc3)c2)c1 169350780 MANNXEOGMXSGNN-UHFFFAOYSA-N 427.551 4.372 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587683523 HNXBSGRHAQLFRJ-DGIBIBHMSA-N 439.712 4.050 50 1 IIGF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@H]4C=C[C@@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84671588 JRFQTWCRCSYLPZ-HCGVFLRBSA-N 434.532 4.471 50 1 IIGF Cc1nn(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323272 QOLLGGMTEHEDGU-PZJWPPBQSA-N 445.288 4.223 50 1 IIGF CCOC(=O)/C(C#N)=C\c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879122 JZVXLPZFIQDHOA-UNOMPAQXSA-N 441.314 4.174 50 1 IIGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)c(Cl)c1OC 72109027 ZMBQDXJSHOMTCD-FOKLQQMPSA-N 429.929 4.456 50 1 IIGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531986 KEFYYSFCUXWOLL-RCDICMHDSA-N 433.957 4.425 50 1 IIGF O=C(CCCC[C@@H]1CCSS1)Oc1ccccc1C(=O)OCCCCO[N+](=O)[O-] 84758075 RONOJSOBVVSEJP-OAHLLOKOSA-N 443.543 4.451 50 1 IIGF CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543096 ITUZXHBTIHRXHM-URXFXBBRSA-N 438.863 4.499 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)c1 587544533 OAOICVQAUJNMKX-ZJSXRUAMSA-N 447.878 4.377 50 1 IIGF COc1ccc(CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC 587877257 AVXOENOGRYMGFG-UHFFFAOYSA-N 426.727 4.460 50 1 IIGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414961 PYTTVXUPXCFRSX-LZNRXBQRSA-N 444.325 4.470 50 1 IIGF CC1(C)[C@@]23C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@]3(C)O 169607138 WNGMEQXERFPHIP-IOVJWZCBSA-N 428.592 4.365 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2Br 587683281 OJKXSZVXCVXSNZ-LANCPOTRSA-N 439.122 4.326 50 1 IIGF CN(c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O 587532821 PPZKHTMFBWENCB-JOCHJYFZSA-N 433.957 4.061 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587671704 AFMOSCSPLMBGFQ-PWJLMRLQSA-N 432.131 4.366 50 1 IIGF COC(=O)c1ccc([C@@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145370 HRULFQZHAPPUHJ-UPPUFSLMSA-N 431.517 4.080 50 1 IIGF CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C/C(C)(C)OO)C1 238789857 WTBRDXOTECDHCP-NNLWHBIQSA-N 430.541 4.432 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(O)c2)N1 587673425 MQSHDBLGGOKEHO-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccc(F)cc2)N1 587727212 BBFFIRZTTBSNOM-HUOXHTIJSA-N 432.312 4.474 50 1 IIGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC=CC(C)(C)OO)[C@@H]1C=COC(=O)C=C(C)C 2356626770 IWBJGUXNIZBHTO-BKSPAHHJSA-N 448.556 4.333 50 1 IIGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 1857574982 CEMHYCNJXWRLQH-LSDHHAIUSA-N 437.308 4.186 50 1 IIGF OB(O)c1cccc(/N=N/c2ccc(/N=N/c3c(O)cc(O)c4ccccc34)cc2O)c1 170057381 SVJNWFARCLQYIC-OWUYFMIJSA-N 428.213 4.467 50 1 IIGF COc1ccc2c(c1)[C@@H](CCNC(=O)CI)C[C@@H](c1ccccc1)C2 40423367 YPOSIXAVJCRBPF-ROUUACIJSA-N 449.332 4.450 50 1 IIGF O=C(O)CCCc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 169336033 FZEHYOZWPOWKSL-FIWTUSFASA-N 435.524 4.238 50 1 IIGF CN(C)C(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614614 SWOABRUWVWQKLY-AVRDEDQJSA-N 443.908 4.251 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587850547 ZTEIAJODHYAWGC-YPMLDQLKSA-N 445.785 4.368 50 1 IIGF COc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 299816765 PWPZCKLWTGWMRV-UHFFFAOYSA-N 430.533 4.488 50 1 IIGF O=C(COc1ccc(C(F)(F)F)cc1)NNC(=S)NCCCCC1CCCCC1 96285254 VFHNZPCBNRDGLE-UHFFFAOYSA-N 431.524 4.330 50 1 IIGF O=C(c1ccccc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccncc1 653747936 FTYRBGCKCWZNMW-JFLMPSFJSA-N 429.867 4.442 50 1 IIGF O=C(O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613829 PHCNQJQCRIRWFW-RXVVDRJESA-N 430.865 4.177 50 1 IIGF c1ccc(-n2nnnc2OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857584771 OLRPNZWRHWUVST-UHFFFAOYSA-N 438.528 4.058 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)CC2=O 587488374 QKCKRPLREJJTRN-LRTDBIEQSA-N 437.945 4.204 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(C#N)=C\N(C)C)(C(F)(F)F)N1 587707821 XJUJNHXCJDEYNU-AOOWGWQHSA-N 432.259 4.405 50 1 IIGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34CCOC[C@H]4Cl)nc(Cl)nc21 963927761 DRUJYAISLOOYTI-IERDGZPVSA-N 448.354 4.052 50 1 IIGF CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(=O)Cc1ccc(OC)cc1 40895967 QDVXZDWBNPFQJT-UHFFFAOYSA-N 427.888 4.206 50 1 IIGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962772409 WEILBUJFGLZIPF-KHDYIWLOSA-N 442.275 4.368 50 1 IIGF O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(Cl)ccc1OCCBr 148026882 KSZDVULNGSMGNQ-UHFFFAOYSA-N 442.718 4.124 50 1 IIGF C[C@]1(CI)CCOO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 253634173 QDIRWKHTZOWACV-OGCZYDBJSA-N 430.282 4.174 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(-c3ccnnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772577091 QHOAAVGBFKIJEW-NRFANRHFSA-N 440.429 4.222 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)O2 587371570 GWEDRKXNVXOASP-QROBEVECSA-N 439.350 4.122 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1cc2c3c(c1)cc(O)n3CCC2 963049730 ALGICLIOKXYPSY-VWLOTQADSA-N 433.939 4.478 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@@](C)([C@H](Br)Cc1ccc(F)cc1F)NCC2 962922772 HMWTUEANFGVUMK-CTNGQTDRSA-N 437.328 4.034 50 1 IIGF COc1ccc2c(c1OC)[C@@](CCl)(CCCCl)N(C(=O)c1ccccc1N)CC2 963137283 HQGMEQOTQYQHBE-QFIPXVFZSA-N 437.367 4.438 50 1 IIGF CCOC(=O)[C@H](Cl)[C@@]1(C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963854305 NOSZWQFLQWFVFV-FXCLAUTBSA-N 439.936 4.017 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587688583 MIVLRBJBGYZUMG-ADWYPQAOSA-N 443.744 4.222 50 1 IIGF OB(O)c1ccc(-c2cc(-c3ccc(F)c(Cl)c3)c3c(ccc4n[nH]cc43)n2)cc1F 1857535324 PSNKRSUUGLOXJJ-UHFFFAOYSA-N 435.626 4.057 50 1 IIGF Cc1ccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)cc1 73200207 LYJYMKFVNDQMAF-UHFFFAOYSA-N 432.863 4.200 50 1 IIGF CN1C(=O)C[C@H]2CN[C@](CCCCCl)(c3ccc(C4OCCO4)s3)c3cccc1c32 963035056 WEPSVJFRTNTZSW-WNSKOXEYSA-N 447.000 4.500 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2cccc(Cl)c2)c1 96284125 AFUKIIUDBLKCEI-NRFANRHFSA-N 442.882 4.000 50 1 IIGF C[C@]1(CI)CCOO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 253634171 QDIRWKHTZOWACV-FUJDEKNSSA-N 430.282 4.174 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-n4cnc(C)c4)cc1)[C@@H](C2)C3=O 587414432 VHODCBSRXWQOTH-PGRDOPGGSA-N 439.309 4.227 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)([C@H](C)Br)[C@@H](C2)C3=O 587416000 ZWZYQTXACHTHCJ-DQLGPHAMSA-N 433.298 4.139 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587683525 HNXBSGRHAQLFRJ-GIGQVBGESA-N 439.712 4.050 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(N(C)C)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 38152986 BYCITJJEUPZGNX-SBONVDJZSA-N 429.557 4.464 50 1 IIGF CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2N1 587104370 RWZHAEYALPOMLS-DEOSSOPVSA-N 429.907 4.336 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC(=O)OC)c1C)CC2=O 587458963 GEXIKDVOXWWCHO-QHCPKHFHSA-N 433.932 4.426 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 587686167 BVTXBEWJJXKRSG-VFGMZZLHSA-N 439.756 4.110 50 1 IIGF COc1ccc2c(c1OC)[C@@](CBr)(c1c(F)cccc1F)N(C)[C@H](C)C2 962633141 SUWLENNVWXMFMN-ODXCJYRJSA-N 426.301 4.497 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 587686662 XCQSHFUSRWBOHB-BLVKFPJESA-N 425.729 4.197 50 1 IIGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720078 ZRPQANTVVCIVED-PRCFCKQXSA-N 432.992 4.176 50 1 IIGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(Br)cc1 1772608737 BDUZYZFNSIKKIF-SFHVURJKSA-N 444.292 4.346 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccc(F)cc2)N1 587730114 IOHODCPMIFURGO-XDTBSMBKSA-N 432.312 4.474 50 1 IIGF COc1ccc(C(=O)N/N=C/c2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1 1772580604 RHBTYQBEQXFUFD-CVKSISIWSA-N 440.459 4.010 50 1 IIGF COc1cc2c3c(n(CCCBr)c(=O)c2cc1OC)-c1ccc(F)cc1C3=O 28711256 YUACRRHCSGGWGA-UHFFFAOYSA-N 446.272 4.154 50 1 IIGF Cc1cc(Cl)cc(C(=O)NNCc2ccccc2F)c1NC(=O)C(C)(C)CCl 103208896 SBJRVZXAYKVTKX-UHFFFAOYSA-N 426.319 4.426 50 1 IIGF CN(CCCC[C@@H]1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169719602 RVLUBPRBBPABLW-QGZVFWFLSA-N 440.656 4.367 50 1 IIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 962894195 ICJRBUTWBHZDFW-SUMWQHHRSA-N 433.104 4.370 50 1 IIGF COc1cccc([C@@]2(CBr)NCCc3cnc4c(OC)cccc4c32)c1F 963054493 HIRFBGQJWSCYDY-OAQYLSRUSA-N 431.305 4.175 50 1 IIGF CCc1ccc(N2C(=O)/C(=C(/C)NNC(=O)c3cccc(C(=O)O)c3)c3ccccc32)cc1 58582502 RHNNGQVXQOKZKX-KQWNVCNZSA-N 441.487 4.291 50 1 IIGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)c1ccccc1 587274348 TZSQMHGMCJASLZ-AWEZNQCLSA-N 425.076 4.402 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](Br)CCC[C@H]1C(=O)OCC 587460095 RKPNREVEEADXAD-NQYLQCIDSA-N 425.319 4.175 50 1 IIGF O=C(N/N=C/c1ccc(COc2ccc(Br)cc2)o1)c1ccc2c(c1)OCO2 15994230 ZPYNAHTZNISFMM-LSHDLFTRSA-N 443.253 4.114 50 3 IIGF C[C@H](C(=O)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 103179107 BNLIOPSAVGLUNR-HBNMRKMWSA-N 432.513 4.462 50 1 IIGF Cc1nc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587673491 NFZDDKGFGUGYHW-VPTHRUTESA-N 432.131 4.366 50 1 IIGF CCCCOc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963511853 VIRAUHNQNSSMKB-AVRDEDQJSA-N 448.357 4.117 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587683244 GAEPSXDXLNNNIL-YBTHPKLGSA-N 437.740 4.490 50 1 IIGF N#Cc1ccc(CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875523 WQOVHVVVHQJBKK-UHFFFAOYSA-N 436.136 4.470 50 1 IIGF COc1ccc2c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc(=O)oc2c1 95563490 KAHRTKLBPZHKNV-IZHWHUGBSA-N 440.455 4.010 50 1 IIGF Cc1nn(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323271 QOLLGGMTEHEDGU-FPOVZHCZSA-N 445.288 4.223 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587673489 NFZDDKGFGUGYHW-BCTVWOGZSA-N 432.131 4.366 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 587703847 HPBRGDJMYXATFO-CUAJPGMWSA-N 432.259 4.405 50 1 IIGF CC(C)(C)[Si](C)(C)Oc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 195226044 WUOUPELNJWMAPV-UHFFFAOYSA-N 448.617 4.368 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)O2 587375050 BKYZUINLUPISGE-KGXYIWNSSA-N 426.314 4.170 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587831212 HIOJWRXPTPIHRK-RCDICMHDSA-N 444.300 4.489 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848694 PNZGWSGDAHFSQD-MGNBDDOMSA-N 445.785 4.302 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(-c3cccnn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772577733 MAMPFYQGULZHLK-OAQYLSRUSA-N 440.429 4.222 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 587683992 IUPWHPOUKYVNRL-WYRIXSBYSA-N 426.713 4.376 50 1 IIGF Cc1ccnc2c1CCN[C@@]2(CBr)c1c(F)ccc(F)c1Br 963067322 JICLLRKDFVCTKC-INIZCTEOSA-N 432.106 4.215 50 1 IIGF COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c(C)n2)cc1 1857607157 WZOABPJTLCACOG-UHFFFAOYSA-N 426.929 4.350 50 1 IIGF CN(CCCC[C@H]1CCSS1)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 40566838 MFXLDKPDPPKYMT-ZWKOTPCHSA-N 440.656 4.215 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 58591378 SHCHJHVHVPGZLN-JCMHNJIXSA-N 445.450 4.176 50 1 IIGF C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 195371650 MRBZRDGTPZIYOC-YHAOOCOUSA-N 436.545 4.048 50 1 IIGF COc1ccccc1C=NNC(=O)Cn1c(CSc2ccccc2)nc2ccccc21 299816713 NGQBJNOHYJVQIH-UHFFFAOYSA-N 430.533 4.488 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541962 FCFZTBSTRHEZAN-FDDCHVKYSA-N 441.867 4.220 50 1 IIGF CN(CCCC[C@H]1CCSS1)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 58562965 MFXLDKPDPPKYMT-ROUUACIJSA-N 440.656 4.215 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541971 FCFZTBSTRHEZAN-MBSDFSHPSA-N 441.867 4.220 50 1 IIGF CC(=O)O[C@H]1C[C@@H]([C@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br 98082338 JKJDNZFOACWTKF-DXEWYZGTSA-N 438.971 4.333 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CCC[C@@H]1[C@@]23OO4 103106646 OQLLNOQQNDZBSJ-CENATWARSA-N 432.513 4.500 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@@](C)([C@@H](Br)Cc1ccc(F)cc1F)NCC2 962922773 HMWTUEANFGVUMK-FPOVZHCZSA-N 437.328 4.034 50 1 IIGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237192 WWAHSICWKIDMSH-ZWPURAAJSA-N 447.279 4.139 50 1 IIGF CC1=C(CCCl)C(=O)N2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2N1 586985490 IORMCGJRPCWBCX-XMMPIXPASA-N 445.906 4.041 50 1 IIGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2cc(F)ccc2O)N1 963175913 CFUINRQQXUTNEV-SJKOYZFVSA-N 438.204 4.285 50 1 IIGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934076 AFKFHAPDBCMRCM-JYRKZWEQSA-N 429.812 4.351 50 1 IIGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O 96938621 OUNVTMYSIGQAQF-UXHIBOPISA-N 440.492 4.428 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587705016 KKZPEEWJROHUER-ZSTCXTCPSA-N 428.651 4.467 50 1 IIGF N=C(CCl)NCCC[C@H]1NC(=O)N(Cc2ccc(-c3ccccc3Cl)cc2)C1=O 1857656920 LSNAUHNJCBRBES-GOSISDBHSA-N 433.339 4.013 50 1 IIGF C[C@H](CO)[C@@H]1OC(C)(C)O[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356762676 MKPDEFGGEITRIH-UVWWXKGLSA-N 442.672 4.102 50 1 IIGF COc1cc(Cl)c(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC 72108975 ZDZGPXIPFIPVAB-FOKLQQMPSA-N 429.929 4.456 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614850 VLRBXFWUKNXRTN-DENIHFKCSA-N 443.908 4.186 50 1 IIGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)N(C)[C@@H](C)C2 962568694 LFYGESSSAAZAAM-DUOCMMSMSA-N 442.987 4.360 50 1 IIGF CCCc1c(O)ccc2c1O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)CC2=O 587488373 QKCKRPLREJJTRN-ASSNKEHSSA-N 437.945 4.204 50 1 IIGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587686161 BVTXBEWJJXKRSG-MTJIALIYSA-N 439.756 4.110 50 1 IIGF CCc1ccc(N2C(=O)CS/C2=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1772654173 ZUXFXWDXFWYXHI-FCDQGJHFSA-N 438.336 4.102 50 1 IIGF COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009521 JMUVEFIHTMAEGC-KRWDZBQOSA-N 445.306 4.123 50 1 IIGF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)CC2=O 587461874 UTDWIVMQIJTNLP-QFIPXVFZSA-N 431.872 4.131 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587546301 VMVTVPCKRZPHSG-QPTLAOIZSA-N 441.867 4.106 50 1 IIGF C[C@]12C[C@H](N3CCOCC3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)CCl)CC[C@H]12 2356664258 NZFNABGZEQPYBX-WACXKRHRSA-N 438.052 4.125 50 1 IIGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 169366500 WNTAWOKCXXOSLF-UCKAWJCSSA-N 434.418 4.145 50 1 IIGF Nc1ccccc1C(=O)[C@@H](Br)[C@H](Br)c1ccc2c(c1)OCO2 1634571 VVNKQNLRCJLCRB-CABCVRRESA-N 427.092 4.080 50 1 IIGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962772430 WEILBUJFGLZIPF-LLSQANQASA-N 442.275 4.368 50 1 IIGF O=C(N/N=C/c1cccs1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1 1857772083 BWVQWSSXRDXADR-PGGKNCGUSA-N 430.896 4.176 50 1 IIGF COc1ccc(O)c(/C=N/NC(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)c1 474608543 MNXYBELLVJBLLJ-HXEVDWITSA-N 447.878 4.311 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N)cc2)N1 587672858 IPRPTARYRQJQBX-BTDLBPIBSA-N 428.143 4.343 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587690173 ZTYBQUBFIVAEJX-ZHYXMNDGSA-N 443.744 4.222 50 1 IIGF COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1911576382 BHRLSQTXFVUGSG-JOCHJYFZSA-N 438.439 4.392 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587683527 HNXBSGRHAQLFRJ-OVWNDWIMSA-N 439.712 4.050 50 1 IIGF C[C@@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884204 ICNKGRBVVOIAJH-CQSZACIVSA-N 437.754 4.120 50 1 IIGF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@H](Cl)C3)co2)cc1 40763380 IWBXEBVLFWZMSR-FQEVSTJZSA-N 437.927 4.044 50 1 IIGF Cc1cc(CCC#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NN 95555726 CRZIZGXJVIBWDI-UHFFFAOYSA-N 440.507 4.353 50 1 IIGF COc1ccc2c(c1OC)[C@](CBr)(c1c(F)cccc1F)N(C)[C@@H](C)C2 962633129 SUWLENNVWXMFMN-FKIZINRSSA-N 426.301 4.497 50 1 IIGF COc1cccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(N=C=S)cc3)n2)c1 1772594336 WJJPRCLLRUIOGI-UHFFFAOYSA-N 428.477 4.325 50 1 IIGF COc1cc[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)cc1 95595426 WNFSEIBCHUWDCL-OAQYLSRUSA-N 425.493 4.327 50 1 IIGF CCOC(=O)/C(C#N)=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587883711 UGDSZMBPLXKLLJ-XDHOZWIPSA-N 441.314 4.174 50 1 IIGF C[C@@]1(CI)CCOO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43100700 QDIRWKHTZOWACV-ITWBUVANSA-N 430.282 4.174 50 1 IIGF CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 40753212 NGUUTPYNLCLTDM-JOCHJYFZSA-N 449.463 4.127 50 1 IIGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1c1ccc(Cl)cc1 1772596710 HUDLBZIQXDYIGE-OQKWZONESA-N 444.727 4.193 50 1 IIGF O=C(CCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328937 WQTWPXPIFXITIL-VWNXMTODSA-N 439.870 4.141 50 1 IIGF O=C(CCl)NC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379659 ZFZQTNXBEZDGJU-IRLDBZIGSA-N 445.899 4.202 50 1 IIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)[C@@H](C2)C3=O 587449698 GNZRNQMIQPARBV-NYHFZMIOSA-N 433.957 4.301 50 1 IIGF O=C(O)c1ccc(-n2cc(/C=N/NC(=O)c3ccccc3F)c(-c3ccccc3)n2)cc1 1772570924 PQOWDYSRFZOWND-VULFUBBASA-N 428.423 4.141 50 1 IIGF C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 101623721 MRBZRDGTPZIYOC-DFZSDLAFSA-N 436.545 4.048 50 1 IIGF Cc1nn(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323275 QOLLGGMTEHEDGU-TZIWHRDSSA-N 445.288 4.223 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(O)ccc2O)N1 587673187 LDGNERBXIAZVCI-XLFHBGCDSA-N 445.126 4.172 50 1 IIGF CN(C)CCSSCCCNC(=O)c1ccccc1COC(=O)c1ccccc1 618009131 SSWNWGFQRFIKBH-UHFFFAOYSA-N 432.611 4.107 50 1 IIGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O 2356611947 OUNVTMYSIGQAQF-NTKDMRAZSA-N 440.492 4.428 50 1 IIGF C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@H]1CC=C[C@@H](C3=O)[C@@]412 85549566 NBRWFTRZAMRYHY-CCVFMQMNSA-N 431.671 4.462 50 1 IIGF biogenic,in-vitro N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369477 IVORRYLVFKJZHE-JTHBVZDNSA-N 437.448 4.411 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 587703943 HXQCIUWTNWEYCH-GUGWIMGPSA-N 428.651 4.467 50 1 IIGF CC(=O)O/C=C1\CCCC(C=O)=CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@@H]12 1857535051 MUXFWFVUPRRJJA-MHWYHWBSSA-N 430.497 4.094 50 1 IIGF O=C(N/N=C/c1cc(Cl)ccc1O)c1nc(-c2cc3ccccc3oc2=O)cs1 1857560809 CSNPUNUNGVTJMF-LSFURLLWSA-N 425.853 4.039 50 1 IIGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587323614 RZZPCCGDWFILIP-FPOVZHCZSA-N 435.289 4.451 50 1 IIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1Cl 2356580858 CGQNAFNBYGFLTH-NQCBRMCBSA-N 426.178 4.434 50 1 IIGF CC(=O)Oc1ccc(C[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543098 ITUZXHBTIHRXHM-XUZZJYLKSA-N 438.863 4.499 50 1 IIGF COc1cc(C(=O)NNC(=S)Nc2csc(-c3ccccc3)c2)cc(OC)c1OC 169350772 KEHLGRGVSZGDOP-UHFFFAOYSA-N 443.550 4.072 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587847183 SFRAANVDTPGOQS-BBATYDOGSA-N 436.306 4.488 50 1 IIGF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCC[C@@H]3Cl 206138075 HUXQSDVMBNLXGQ-HOCLYGCPSA-N 428.876 4.193 50 1 IIGF CCOc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 653785874 GHBROVGRPKDFKC-UHFFFAOYSA-N 442.493 4.311 50 1 IIGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)NCCc3ccc(O)cc32)cc1 963341145 LSCJFVHGBOCTCA-DQEYMECFSA-N 437.923 4.289 50 1 IIGF C[C@]12C=C3C(=O)O[C@H](c4cccc(Cl)c4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934071 CCWNFZNBBAIQRF-MMKMLUHNSA-N 429.812 4.351 50 1 IIGF O=C1OC(=O)c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc21 586909280 XWQCCRGSBXTRIP-UHFFFAOYSA-N 427.132 4.202 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)CC(C)C)CC[C@@H]2C(=O)O 2356501122 OLZZQQSRXUVXDD-DWIMKPMMSA-N 442.552 4.464 50 1 IIGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@@H]3O2)O1)CC=CC(C)(C)OO 2356739392 WTBRDXOTECDHCP-AXISIGTESA-N 430.541 4.432 50 1 IIGF COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl 85635051 QETHRCCHQRWBIJ-UAMXUNQTSA-N 448.943 4.220 50 1 IIGF in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587706227 PKMUZPLGQGZZQU-OUNZRGQNSA-N 428.651 4.467 50 1 IIGF O=C(O)CCCc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 169336035 FZEHYOZWPOWKSL-SIGXWTDUSA-N 435.524 4.238 50 1 IIGF O=C1c2ccc(O)cc2O[C@](CCl)(Cn2nnc3ccccc32)[C@H]1c1ccc(F)cc1 587330015 ZNYWYKGKPJASGS-JTHBVZDNSA-N 437.858 4.313 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587705013 KKZPEEWJROHUER-XWKFFJDASA-N 428.651 4.467 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 587704606 JUTGRUFKAVASBN-HWYUTZHGSA-N 432.259 4.405 50 1 IIGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587407560 ARXNZZQJOXEFFS-JOCHJYFZSA-N 444.940 4.024 50 1 IIGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587412406 BURRGMWNZUHFFJ-LBBIBPJZSA-N 433.298 4.139 50 1 IIGF O=P(OCc1ccco1)(N(CCCl)CCCl)N(CCCl)CCCl 43260386 LYKHFOCEIXDDCK-UHFFFAOYSA-N 426.108 4.464 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587543875 MCCSNFYBOUFZMY-NZQKXSOJSA-N 439.851 4.152 50 1 IIGF O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653715969 ATMGQBFDJQMPHB-JFLMPSFJSA-N 435.443 4.421 50 1 IIGF Cn1cc(C2=C(C#N)[C@@]3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)O2)c2ccccc21 53294666 OBHRAALMZSQVCD-HHHXNRCGSA-N 428.451 4.425 50 1 IIGF COc1cccc2c1C(=O)c1c(OC)cc(C(Br)Br)cc1C2=O 29347808 BRNJKWZXMYBPKI-UHFFFAOYSA-N 440.087 4.268 50 1 IIGF CN(C)c1ccc(/C=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)cc1 53229069 PYIRDSSLAKKBLU-OYKKKHCWSA-N 430.468 4.023 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587419291 BSSIFUJUXAYVMS-LIRRHRJNSA-N 425.225 4.334 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc([N+](=O)[O-])c2)N1 587847182 SFRAANVDTPGOQS-ADLMAVQZSA-N 436.306 4.488 50 1 IIGF CC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1[C@@]21c2c(cnn2C)CCN1C 963953515 AIOPGYUVUUMKQJ-CUBQBAPOSA-N 433.559 4.369 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587418985 VPMVNHBWSGPLDW-QRUVEDRTSA-N 427.928 4.034 50 1 IIGF COc1ccnc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587674050 SJEFLWKLDJAFHB-QGHHPUGFSA-N 444.142 4.165 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)[C@H]1CCCN1C(=O)OC(C)(C)C 963045447 FRCOAIKYNKNXKY-JPYJTQIMSA-N 431.964 4.223 50 1 IIGF Cc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)NN 49051505 OMGZJXWBSYXWSP-UHFFFAOYSA-N 427.892 4.367 50 1 IIGF COc1cc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)cc(OC)c1 653757915 YVPGCVMQJGLJJI-CVKSISIWSA-N 428.444 4.241 50 1 IIGF Nc1ccccc1C(=O)[C@@H](Br)[C@@H](Br)c1ccc2c(c1)OCO2 1634573 VVNKQNLRCJLCRB-GJZGRUSLSA-N 427.092 4.080 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3nccs3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299820349 MLZKOJFIFLLJPG-RSIOEHJSSA-N 445.379 4.281 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(O)nc2c3ccc3ccccc32)cc1OC 1857615988 VYIDDPQAWUXXDT-FQEVSTJZSA-N 425.444 4.329 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2Br 587680304 IJMRKKHKDQAABP-CBUPOEEASA-N 439.122 4.326 50 1 IIGF O=C(N/N=C/c1ccccc1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653697858 WLEKPGZYOFEPRM-JFLMPSFJSA-N 435.443 4.421 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O 587412612 JFWNJQLGYSLUGQ-AVRDEDQJSA-N 428.326 4.333 50 1 IIGF O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587546381 WISWMCZYCLJICW-XUZZJYLKSA-N 435.863 4.373 50 1 IIGF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCCl 587618451 QJGFRVQRMSHCGR-UHFFFAOYSA-N 437.905 4.229 50 1 IIGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973136 FVCXWVZXPDQNED-UPHRSURJSA-N 426.723 4.425 50 1 IIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCl)c(C)c2c1 587619071 ZBYVGILQICXXHN-UHFFFAOYSA-N 437.905 4.365 50 1 IIGF CN(C)c1ccc(C(=NNC(=O)c2cc3ccccc3[nH]2)c2ccc(N(C)C)cc2)cc1 1658308 FVRMHXWKKOQTBZ-UHFFFAOYSA-N 425.536 4.482 50 1 IIGF CCCCC(Br)(Br)C(=O)C(Br)Br 85637559 YZLMJUDSGWUSTD-UHFFFAOYSA-N 429.772 4.348 50 1 IIGF biogenic COC(=O)c1c(C)[nH]c([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962692410 BDSNYRBMAQTYQK-NYHFZMIOSA-N 436.980 4.403 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)N1 587687284 ZPHYWMGMNSISJF-FHGNATFXSA-N 435.765 4.470 50 1 IIGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1ccncc1 299822742 CHSPTXQRALIJAG-UHFFFAOYSA-N 426.520 4.172 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587673490 NFZDDKGFGUGYHW-PWJLMRLQSA-N 432.131 4.366 50 1 IIGF COC(=O)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849857 WQVRMKZQCPRVTP-XTZNXHDOSA-N 446.769 4.382 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962692413 BDSNYRBMAQTYQK-QRQCRPRQSA-N 436.980 4.403 50 1 IIGF C/C(C=O)=C\Cc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 1857746774 DESPNTUGAPFHSX-YIXHJXPBSA-N 434.444 4.449 50 1 IIGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccccc4Cl)c[nH]c3c12 103168336 AVRGHBDTQFEMKO-YCPBAFNGSA-N 425.275 4.455 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587688722 NKWMPOAYJIHSES-OVWNDWIMSA-N 441.728 4.269 50 1 IIGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)CC(=O)O)CC2=O 587450694 HJKGTROHHGAGBL-GHTZIAJQSA-N 433.298 4.444 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682894 DZKSUWKIWMCZII-MPBGBICISA-N 439.756 4.241 50 1 IIGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCC[C@H]2CCBr 963156232 ZKGLNRFBXRAFNB-FNFWKMNBSA-N 445.379 4.170 50 1 IIGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 8670139 YIHKBLPGCULFOA-DICXZTSXSA-N 442.567 4.444 50 1 IIGF CCOC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538142 OCPVCYKEEBLEIL-HRAATJIYSA-N 449.297 4.077 50 1 IIGF CCOC(=O)C[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587670452 KPCMSODJWAROLS-KCWFYHRYSA-N 437.147 4.054 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849855 WQVRMKZQCPRVTP-MGNBDDOMSA-N 446.769 4.382 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1OC 1489417 ZTKXVRYVYTZMPP-INIZCTEOSA-N 426.270 4.166 50 1 IIGF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)c(Cl)cc12 587078263 MXTPNOJIAISSQV-LLVKDONJSA-N 440.887 4.019 50 1 IIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587457874 CRKKBNYRYNTTIW-IHQZYZBUSA-N 437.330 4.333 50 1 IIGF CC(=O)NCCc1ccc([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962377290 WLEOPHWLKAYCMT-XMMPIXPASA-N 442.028 4.306 50 1 IIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc3c(c2)NC(=O)CO3)N1 962943256 GFVYXTIXGIIGQC-PEBXRYMYSA-N 440.341 4.062 50 1 IIGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccc(Cl)cc4)c[nH]c3c12 103168334 CDKCTAOZDAIDGD-YCPBAFNGSA-N 425.275 4.455 50 1 IIGF Cc1csc([C@H](C#N)[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587615960 YEYHYRUGICYLML-OXTHUFEASA-N 426.881 4.404 50 1 IIGF COc1ccc2cc1Oc1ccc(cc1)C[C@H](I)COC(=O)CC2 26738247 QXYZGPIHWFQASX-HNNXBMFYSA-N 438.261 4.323 50 1 IIGF C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 44431164 MRBZRDGTPZIYOC-MNPXYECYSA-N 436.545 4.048 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/C=C/N(C)C)(C(F)(F)F)N1 587704608 JUTGRUFKAVASBN-XKBRWTRCSA-N 432.259 4.405 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)NCCCl)c1 587881764 ADYBJDGBGMHONU-UHFFFAOYSA-N 438.742 4.064 50 1 IIGF C[C@@H](C(=O)NCCCSSCCN(C)C)c1cccc(C(=O)c2ccccc2)c1 618012659 UZEWABAGSHSKPZ-GOSISDBHSA-N 430.639 4.470 50 1 IIGF CCOC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2Cc1ccccc1 1857774209 ZEHSLXIWVVFECC-QFIPXVFZSA-N 441.409 4.139 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23O)c(C)c1Cl 257520341 QETHRCCHQRWBIJ-UOOWTYDPSA-N 448.943 4.220 50 1 IIGF endogenous,in-man COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418155 SAZOBIDXKCHLDA-KAZFWXJGSA-N 435.303 4.498 50 1 IIGF CN1C(=O)CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587541478 BWXCFAFFHWYGRK-RDGATRHJSA-N 449.890 4.397 50 1 IIGF O=C(CCCCl)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCCCl)ccc1C2=O 49867667 OWZXQHSZHVLBPE-UHFFFAOYSA-N 447.318 4.377 50 1 IIGF in-vivo COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 95809026 UHWVLQLZXMLBTF-IVTGQKOESA-N 439.512 4.201 50 1 IIGF CC1(C)[C@H](Br)[C@H](O)C[C@@]2(CO2)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 238773589 IMECRWKPGFVLJE-JIGBKUHMSA-N 430.608 4.241 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587688720 NKWMPOAYJIHSES-DGIBIBHMSA-N 441.728 4.269 50 1 IIGF CCOC(=O)/C(C#N)=C/c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879123 JZVXLPZFIQDHOA-XDHOZWIPSA-N 441.314 4.174 50 1 IIGF CC1(C)[C@@H](Br)C[C@@H](O)[C@@]1(C)[C@@]1(O)CC[C@](C)(Cl)[C@@H](Br)C1 138909500 DLURQEMMMGZLDY-UBHGWVTLSA-N 432.624 4.223 50 1 IIGF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)NCC2 962376414 PHLBFQVBRHPFNN-VWLOTQADSA-N 438.930 4.132 50 1 IIGF O=C1C[C@](CBr)(CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587530038 DDMYOPSYVPKWMU-NRFANRHFSA-N 449.366 4.138 50 1 IIGF Cc1nc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587539873 YGUDDNXOVOWPKY-OXJNMPFZSA-N 430.254 4.249 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684736 LWMSURJJSUOVGX-DDBGAENHSA-N 435.765 4.470 50 1 IIGF COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1 13474355 KPIYNDFSNQTDFP-UHFFFAOYSA-N 449.288 4.126 50 1 IIGF COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)C(C)C 98082756 PLXDOYVAQCTNLZ-HNENSFHCSA-N 449.960 4.088 50 1 IIGF C[C@H](CCl)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165468279 DCSLGXRZLNYZLY-LLVKDONJSA-N 448.953 4.021 50 1 IIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccc4F)cc3)o2)c(OC)c1 473248546 OODIWUYQRZQNIM-VULFUBBASA-N 446.438 4.324 50 1 IIGF N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369475 IVORRYLVFKJZHE-GGAORHGYSA-N 437.448 4.411 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(O)c1 587538052 MODKMHHSYJDRBQ-GHTZIAJQSA-N 427.250 4.350 50 1 IIGF CN(C)CCSSCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 618009525 ZGQYLZXMZJBFFU-SFHVURJKSA-N 447.711 4.299 50 1 IIGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(c2cc(Cl)ccn2)N1)C(F)(F)F 962760108 CYFMVLIHCYOFLA-XJKSGUPXSA-N 433.655 4.019 50 1 IIGF CCO[C@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)C=C[C@]2(OO3)[C@H]1C 64447330 DPAZQDMHDAGMAM-SVIFRFDISA-N 430.541 4.279 50 1 IIGF COc1ccc(C(=O)Cn2c(-c3ccccc3)c(/C=N/NC(N)=O)c3ccccc32)cc1 103224033 YERLSZYUECMRRF-JFLMPSFJSA-N 426.476 4.202 50 1 IIGF C[C@@H](C(=O)O)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)CC4=C[C@]5(C)CC[C@]4(OO5)[C@@]3(C)O2)OO1 238774511 WVXURYASZSQOJT-ZKZAXUMSSA-N 436.545 4.350 50 1 IIGF Cc1cc([C@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962732069 WKBUMOBAZYHYMY-AEFFLSMTSA-N 430.239 4.418 50 1 IIGF CC(C)OCCOc1n[nH]c2ccc([C@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@@H]3C#N)cc12 169694601 XKLICQWRYRXPHA-CZUORRHYSA-N 449.408 4.353 50 1 IIGF CCN(c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O 587531216 JSCABLCXVMQXQQ-QHCPKHFHSA-N 447.984 4.451 50 1 IIGF CN1C(=O)C[C@@H]2CN[C@](CCCCCl)(c3ccc(C4OCCO4)s3)c3cccc1c32 963035052 WEPSVJFRTNTZSW-CMJOXMDJSA-N 447.000 4.500 50 1 IIGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(O)c1 15115476 WHPFMJHURKAZFO-MAWYVKEGSA-N 428.525 4.221 50 1 IIGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 587371492 FXZYFLOXQGLXCV-VWLOTQADSA-N 446.890 4.208 50 1 IIGF CCc1ccc([C@]2(CCBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963230977 RHMIQHLPAZRGEP-GGAORHGYSA-N 439.353 4.425 50 1 IIGF COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1 15974223 IDENMZZQOVIJOU-UHFFFAOYSA-N 447.720 4.120 50 1 IIGF aggregator O=C(CCl)Nc1ccc2c(c1NC(=O)c1cccc(F)c1)C(=O)c1ccccc1C2=O 82149433 NDRXVGCTGWEXIO-UHFFFAOYSA-N 436.826 4.031 50 1 IIGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cc(O)ccc2O)cc1 474609963 YDEOCGYJXYGDLP-NUQVLIHRSA-N 433.851 4.008 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)O2 587370946 CUJFCRNDLZFGOA-XUSGNXJCSA-N 429.314 4.419 50 1 IIGF CN(C)C(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614615 SWOABRUWVWQKLY-GCJKJVERSA-N 443.908 4.251 50 1 IIGF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(Br)cc1Br 1857608050 HPHNKYFCAHFGSM-CNHKJKLMSA-N 432.499 4.335 50 1 IIGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962650754 ZVIHZCXDPRXZEQ-IXHHGASFSA-N 430.882 4.483 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 58583757 YOFCGUJKOBGGFD-QNGOZBTKSA-N 447.516 4.407 50 1 IIGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 169703240 YZSPKSVHFQXFMN-RBBKRZOGSA-N 427.464 4.069 50 1 IIGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cc(O)cc(O)c2)cc1 474602146 AMMYUWMZLSTWOO-JNNUNNRTSA-N 433.851 4.008 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587009343 APRYTTRKJHYCMB-HNNXBMFYSA-N 432.814 4.005 50 1 IIGF CC(C)S(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 27651577 MLZMDDDWPQZYHY-FSJBWODESA-N 430.913 4.145 50 1 IIGF CN(C)c1cc[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)cc1 95596133 SJWBKFOWVMPQNF-QFIPXVFZSA-N 438.536 4.384 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(O)c2)N1 587673423 MQSHDBLGGOKEHO-BMLIUANNSA-N 429.127 4.467 50 1 IIGF C[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CBr 2356495391 QJSUZHISHKPESJ-PDECEYSASA-N 427.423 4.331 50 1 IIGF CCOc1cccc(-n2c(NNC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)c1 13779082 QMBZYMRBSZEZSO-UHFFFAOYSA-N 429.480 4.241 50 1 IIGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)cc1 95809053 FFQHNUJJBALISF-HYARGMPZSA-N 432.318 4.194 50 1 IIGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1 1857543348 UAOKGHVBWBQLCZ-AUEPDCJTSA-N 434.279 4.181 50 1 IIGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC=CC(C)(C)OO)[C@H]1C=COC(=O)C=C(C)C 2356626773 IWBJGUXNIZBHTO-WATLYSKOSA-N 448.556 4.333 50 1 IIGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc(O)cc3)c12 1772586255 MPNXPEKTCVVOKL-RPPGKUMJSA-N 439.397 4.217 50 1 IIGF O=C1c2ccc(O)cc2OC(CBr)(CBr)[C@H]1c1ccc(F)cc1 587320260 FCORWOJKRYMXMQ-HNNXBMFYSA-N 444.094 4.419 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587412594 JCTFGMVZJBZGIT-KBXCAEBGSA-N 438.115 4.496 50 1 IIGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 98084888 HTRUBIXWGORRMZ-INIGBHMASA-N 440.532 4.237 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612218 IXIZIRKHXPNRGJ-DENIHFKCSA-N 444.892 4.265 50 1 IIGF O=C(O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613830 PHCNQJQCRIRWFW-WIYYLYMNSA-N 430.865 4.177 50 1 IIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495110 BSSKMMMHUSDBNQ-UGKGYDQZSA-N 439.309 4.108 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962692397 BDSNYRBMAQTYQK-IVZQSRNASA-N 436.980 4.403 50 1 IIGF O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103284667 MOSLFDZZDYWVIW-ZIAGYGMSSA-N 442.759 4.264 50 1 IIGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C[S@@](=O)c2ccccc2)N1 40676849 JAISNYAJIFJKPM-KKIUXKEOSA-N 446.450 4.336 50 1 IIGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1nccs1)[C@@]2(C)Br 195238963 MLZKOJFIFLLJPG-PWYPZUANSA-N 445.379 4.281 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)O2 587371566 GWEDRKXNVXOASP-APXLUKDGSA-N 439.350 4.122 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)O2 587373694 MYORBAVBMBHEJR-VQIMIIECSA-N 438.705 4.330 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587687060 YPJXDZYCXXIZEW-OVWNDWIMSA-N 439.712 4.050 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccccc2)cc1 1857762580 QSTGQSHODLGTGW-UKPGIYTDSA-N 429.501 4.074 50 1 IIGF CCCCC(Br)(Br)[C@@H](O)C(Br)Br 85922003 RWYRBXGJDAZXPL-YFKPBYRVSA-N 431.788 4.140 50 1 IIGF biogenic C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 95562228 OUUWGDMZZBFLFR-HCGXMYGOSA-N 426.192 4.207 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc([N+](=O)[O-])cc1 299815671 WXQWUKGLBRCFEX-UHFFFAOYSA-N 445.504 4.387 50 1 IIGF CN(C)C(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614617 SWOABRUWVWQKLY-XMSQKQJNSA-N 443.908 4.251 50 1 IIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc3c(c2)NC(=O)CO3)N1 962943255 GFVYXTIXGIIGQC-JLCFBVMHSA-N 440.341 4.062 50 1 IIGF COc1ccc2nc(NC(=O)c3cccc(NC(=O)[C@H](C)Br)c3)sc2c1 28954608 ISKZXFDHNOXUAC-JTQLQIEISA-N 434.315 4.279 50 1 IIGF CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538143 OCPVCYKEEBLEIL-IERDGZPVSA-N 449.297 4.077 50 1 IIGF O=C(N/N=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1O 95808634 AYRNWQCLJLMJIO-VFCFBJKWSA-O 439.475 4.102 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2)N1 587673031 JRVGQWODAGVNKO-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500382 WPFGIDKOACYRNK-UWJYYQICSA-N 436.346 4.284 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685699 RGZWVBJDRBLMPP-ODXCJYRJSA-N 439.756 4.241 50 1 IIGF C[C@@H](CCl)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165468153 DCSLGXRZLNYZLY-NSHDSACASA-N 448.953 4.021 50 1 IIGF CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 170117993 IQOBLYMQXROOIM-MYDTUXCISA-N 443.616 4.349 50 1 IIGF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)O2 587375052 BKYZUINLUPISGE-KXXOPMGUSA-N 426.314 4.170 50 1 IIGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34CCOC[C@@H]4Cl)nc(Cl)nc21 963927760 DRUJYAISLOOYTI-HRAATJIYSA-N 448.354 4.052 50 1 IIGF Cc1ccnc2c1CCN[C@@]2(CBr)c1ccc(Br)c(F)c1F 963069359 MEAHNLICKLCOPU-INIZCTEOSA-N 432.106 4.215 50 1 IIGF CC1(C)O[C@@](C)([C@H]2CC[C@@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](NC=O)[C@@H]32)CC[C@@H]1Cl 40875648 JJCHVOBKBZMVBH-JJAPNAJXSA-N 443.053 4.105 50 1 IIGF N#Cc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 299816711 NDOTVYAEXBBLGO-UHFFFAOYSA-N 425.517 4.351 50 1 IIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccc4C)cc3)o2)c(OC)c1 473248410 NSHDWTZZFBUHKZ-CVKSISIWSA-N 442.475 4.493 50 1 IIGF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6c(c5)C(=O)OC6=O)[nH]c4c3)o2)cc1 586907761 WPZSIOFWZNEZJP-UHFFFAOYSA-N 438.399 4.266 50 1 IIGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688642 MTVCSFRBXYNQOL-JPJOULJCSA-N 426.713 4.471 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](C2CC2)([C@@H](Cl)C(=O)C(F)F)N1 963175695 HFWDPQITKLMYGL-DETPVDSQSA-N 446.199 4.005 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCCC[C@H]2Br)N1 963181847 HTDWQLDEMBFSAP-GZBFAFLISA-N 426.660 4.491 50 1 IIGF CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(Cl)cc1 13119345 OSPZMQBCVMQUJV-NTCAYCPXSA-N 438.944 4.088 50 3 IIGF COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)n(Cc3ccc(Cl)nc3)n2)cc1 40380227 LNLIOCFAYCTDLK-DHRITJCHSA-N 435.871 4.012 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O 587412920 KIAPLORBNAFCMD-YCRPNKLZSA-N 426.266 4.388 50 1 IIGF CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702432 DUHRAEXDXLZHFX-FDHQVAJDSA-N 432.639 4.051 50 1 IIGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCBr 26006139 WNTAWOKCXXOSLF-ZQPKRWIZSA-N 434.418 4.145 50 1 IIGF Cc1cc(Cl)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)CCl 103213385 ISCJIXRUVIUQTI-UHFFFAOYSA-N 443.762 4.335 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccccc2)cc1 1857762579 QSTGQSHODLGTGW-ROTAYESASA-N 429.501 4.074 50 1 IIGF Cc1c(Br)cnc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc12 587009363 BRHXFSNKMZPALK-HNNXBMFYSA-N 446.736 4.149 50 1 IIGF COc1ccc2c(c1OC)[C@]1(C(C#N)=COc3cc(Br)ccc31)N(C)[C@@H](C)C2 962619492 CYGNVIVIRHRGKA-WHEQGISXSA-N 441.325 4.386 50 1 IIGF CC(=O)O[C@H]1C[C@H]([C@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br 98082334 JKJDNZFOACWTKF-OHUOHFELSA-N 438.971 4.333 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587687323 ZYOYUNZLGAKBFE-MPBGBICISA-N 439.756 4.023 50 1 IIGF CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 40753209 NGUUTPYNLCLTDM-QFIPXVFZSA-N 449.463 4.127 50 1 IIGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 169703241 YZSPKSVHFQXFMN-UNMCSNQZSA-N 427.464 4.069 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 587846577 ICLYVFRJVUBCBP-XYZCENFISA-N 432.742 4.293 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(CCl)o2)cc1 587883753 WLXVLGFLXAEGSO-UHFFFAOYSA-N 434.710 4.493 50 1 IIGF CC(C)(Cl)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(N=C=S)[C@@H]3CC[C@](C)(NC=O)[C@@H](O)[C@H]32)O1 2356545189 NZJBVTRZEMHWOO-JCNVZSPUSA-N 443.053 4.105 50 1 IIGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(-c3cncnc3)cc2)ccc1C(=O)O 219909786 HBKZSAPSQSEIJL-KVSWJAHQSA-N 439.475 4.013 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546830 YBVJXGKVUYTFEH-STSQHVNTSA-N 445.899 4.341 50 1 IIGF O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl 136238908 VRKITNLDCQGIJI-NSKAYECMSA-N 442.306 4.203 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 587686665 XCQSHFUSRWBOHB-CWTRNNRKSA-N 425.729 4.197 50 1 IIGF COc1cc2c(cc1OC)[C@]1(C(=O)[C@]3(C)CC[C@H]1[C@]3(C)CBr)N(C)[C@H](C)C2 962619748 GENMREISWPWZGS-HEERDSQZSA-N 436.390 4.176 50 1 IIGF CCOC(=O)/C(=N/NC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)o1)c1ccccc1 1857768675 PROAYAKQLFWLPK-FCDQGJHFSA-N 430.577 4.499 50 1 IIGF CCOc1ccccc1-c1cc(C(=O)NN/C=C2/C=CC(=O)C(OC)=C2)c2ccccc2n1 13126171 QCGMYBLOQDDNOP-MSUUIHNZSA-N 441.487 4.088 50 3 IIGF CN(CCCC[C@@H]1CCSS1)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 169294519 MFXLDKPDPPKYMT-MSOLQXFVSA-N 440.656 4.215 50 1 IIGF O=CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 587617027 OCTYQKMVDORSIQ-OZXSUGGESA-N 442.423 4.264 50 1 IIGF COC(C)(C)[C@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 586970464 FGYZWLWSKBDDFA-MRVPVSSYSA-N 441.949 4.344 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587671702 AFMOSCSPLMBGFQ-BCTVWOGZSA-N 432.131 4.366 50 1 IIGF O=C([C@H]1Cc2ccccc2[C@](CBr)(c2cc(Cl)ccn2)N1)C(F)(F)F 962760107 CYFMVLIHCYOFLA-CZUORRHYSA-N 433.655 4.019 50 1 IIGF CCOc1ccc2nc(SCc3cc(/C=C(\C#N)C(N)=O)cc(OC)c3O)sc2c1 13833856 FUUIMNFHXIGCNL-AWNIVKPZSA-N 441.534 4.094 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(C)c1Cl 199653323 QETHRCCHQRWBIJ-BDNLZIGVSA-N 448.943 4.220 50 1 IIGF endogenous,in-man COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCBr)[nH]c3c2)cc1 586972392 PEALXWVWUZNQIJ-UHFFFAOYSA-N 438.347 4.090 50 1 IIGF CN(C)CCSSCCN(C)C(=O)c1cc(-c2ccc(F)cc2F)ccc1O 621477553 NHFJFSDXAZNRJU-UHFFFAOYSA-N 426.554 4.352 50 1 IIGF C[C@]12C[C@H](N3CCOCC3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CCl)CC[C@H]12 2356664256 NZFNABGZEQPYBX-NGRJJPSNSA-N 438.052 4.125 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)CC(C)C)CC[C@H]2C(=O)O 2356501125 OLZZQQSRXUVXDD-ZWKGKOGBSA-N 442.552 4.464 50 1 IIGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1cccc([N+](=O)[O-])c1 29037372 QKYCQOJOIFJABA-UHFFFAOYSA-N 431.876 4.159 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)CC2=O 587450698 HJKGTROHHGAGBL-RXVVDRJESA-N 433.298 4.444 50 1 IIGF CN(C)/C=C(/C#N)Oc1cc(F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894051 QJDHPHXCLJDGFR-RGEXLXHISA-N 446.309 4.148 50 1 IIGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962650755 ZVIHZCXDPRXZEQ-PSVKNFIHSA-N 430.882 4.483 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC(=O)N4)([C@H](C)Br)[C@@H](C2)C3=O 587415483 TZMBRPBPXPGSEB-PSIMQFQVSA-N 442.309 4.006 50 1 IIGF CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538145 OCPVCYKEEBLEIL-KKSFZXQISA-N 449.297 4.077 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(N)=O)cc2)N1 587685410 QISVHNZKLIUMSA-MLCYQJTMSA-N 426.717 4.095 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCCl)(c2ccccc2)N1 587686179 SVPZQMVSJBQJQT-ZUOKHONESA-N 439.756 4.111 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(N3CCCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772604251 NOKJZHRLDAOFCV-NRFANRHFSA-N 431.462 4.366 50 1 IIGF Cc1cccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)c1 73198275 UXOUUOYUULMKTO-UHFFFAOYSA-N 432.863 4.200 50 1 IIGF CC1(C)[C@@H](Br)C[C@H]2O[C@@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O 238749093 YYLQMEPEKFNFNL-NDHVKVOBSA-N 430.608 4.239 50 1 IIGF COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383521 SLXQZPBOMZGPOT-IBGZPJMESA-N 442.256 4.443 50 1 IIGF N#Cc1ccc(CBr)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587874979 LSETWEKFTMRZNX-UHFFFAOYSA-N 436.136 4.470 50 1 IIGF CCc1ccc(-c2cc(C#C[C@@H](C)N(O)C(=O)CCl)nn2-c2ccc(OC)cc2)cc1 28110299 UYDJSLZWWLNFIO-QGZVFWFLSA-N 437.927 4.307 50 1 IIGF CC(=O)O/C=C1/CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 238786631 MUXFWFVUPRRJJA-MZZYDDKMSA-N 430.497 4.094 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418148 SAZOBIDXKCHLDA-BVCQHNCWSA-N 435.303 4.498 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)CC2=O 587467941 UWXXQDJMVLGUHT-HSZRJFAPSA-N 433.907 4.262 50 1 IIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(C(F)(F)F)N1 963188013 UINDZDMGKKQTAD-KOLCDFICSA-N 440.565 4.110 50 1 IIGF N#Cc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84617669 NDOTVYAEXBBLGO-YSMPRRRNSA-N 425.517 4.351 50 1 IIGF CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15CC(c1ccc(Cl)cc1)=NO5)[C@]42OO3 473146817 DLNOJZOJEIBCBG-MBUDHKBQSA-N 449.931 4.422 50 1 IIGF COC(=O)c1cccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587688772 OBNLAYZNNLAZIL-NSPYISDASA-N 426.713 4.391 50 1 IIGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@]3(CC[C@@H](O3)[C@H]1Br)C[C@@H]2Cl 2356313330 WPEZFVRVOYPLJW-BNWLOCQASA-N 442.575 4.263 50 1 IIGF COc1ccc([C@@]2([C@@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587412407 BURRGMWNZUHFFJ-OUHCHERESA-N 433.298 4.139 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)CC2=O 587467942 UWXXQDJMVLGUHT-QHCPKHFHSA-N 433.907 4.262 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(O)c1 587538055 MODKMHHSYJDRBQ-WIYYLYMNSA-N 427.250 4.350 50 1 IIGF CCOC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538144 OCPVCYKEEBLEIL-IIBYNOLFSA-N 449.297 4.077 50 1 IIGF CCOC(=O)[C@@H](Cl)[C@]1(C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963854306 NOSZWQFLQWFVFV-LDJQZATESA-N 439.936 4.017 50 1 IIGF CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572592 SNHKJRATAZAYJB-FTUMYFGPSA-N 430.435 4.357 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(c1ccc(Cl)cc1Cl)NCC2 962932450 PKDOFDZDEKZPBM-IBGZPJMESA-N 442.184 4.479 50 1 IIGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c(F)c1 205471422 HGQPQEVPXNRLAE-RIYZIHGNSA-N 434.475 4.065 50 1 IIGF COC(=O)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587500148 QUKXXBITGIYHEA-QFIPXVFZSA-N 445.309 4.313 50 1 IIGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C)C(=O)[C@H](C)Cl)cc1 40975440 CGOQWYWCWRMMLL-QMHKHESXSA-N 437.927 4.008 50 1 IIGF COC1=CC(=O)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C 197978852 PNKSYGXKIASTHZ-JOCHJYFZSA-N 438.640 4.435 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587683767 HYOLDMQGZNCJGV-YUNKPMOVSA-N 437.740 4.124 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587684094 KIUFLAAAYSPBHB-PRWKNARSSA-N 437.740 4.490 50 1 IIGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962720080 ZRPQANTVVCIVED-TXBYWVTISA-N 432.992 4.176 50 1 IIGF Cc1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12 28711213 LMJUNGCSONHLOB-UHFFFAOYSA-N 427.254 4.215 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccccn3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100036568 GWMJXQKGFJSHTF-WDLXEVJUSA-N 439.350 4.219 50 1 IIGF CC1(C)[C@@]23C[C@H](Br)[C@](C)(Cl)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O 195483883 WNGMEQXERFPHIP-MHMWMNNNSA-N 428.592 4.365 50 1 IIGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 1857574980 CEMHYCNJXWRLQH-GJZGRUSLSA-N 437.308 4.186 50 1 IIGF CCCCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356527445 ABOHZFYYFSYIOC-VQPAQMSKSA-N 430.541 4.156 50 1 IIGF COC(=O)CCc1ccc(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 103180561 JLFLRGQBPWCYHM-JKCRHASVSA-N 446.540 4.379 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848897 PNZGWSGDAHFSQD-YPMLDQLKSA-N 445.785 4.302 50 1 IIGF COc1cc2c(cc1OC)[C@]1(C(=O)[C@]3(C)CC[C@H]1[C@]3(C)CBr)N(C)[C@@H](C)C2 962619752 GENMREISWPWZGS-RNUSYGIZSA-N 436.390 4.176 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(c4ccc(F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857750508 CIUGTJDAPFQJON-RRXFZIEKSA-N 446.563 4.156 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cccc([N+](=O)[O-])c1 299816468 ATNQMFIQXDXHBR-UHFFFAOYSA-N 445.504 4.387 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)O2 587370938 CUJFCRNDLZFGOA-GTJPDFRWSA-N 429.314 4.419 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)O2 587375053 BKYZUINLUPISGE-OSJHKOOESA-N 426.314 4.170 50 1 IIGF CC1=C[C@H](O)[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 2356818869 DXEYHWFMHUQAKH-PAUVFPHUSA-N 428.592 4.365 50 1 IIGF Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1sc(=S)n(-c2ccccc2)c1N 1662934 RDIMAXBLZJLZKT-ZMOGYAJESA-N 448.577 4.417 50 1 IIGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C[S@](=O)c2ccccc2)N1 40676853 JAISNYAJIFJKPM-FZYZMVIOSA-N 446.450 4.336 50 1 IIGF C[C@H](Nc1ncnc2[nH]cnc12)C1=C(C#N)[C@H]2C=CC(Cl)=C[C@@H]2N1c1cccc(F)c1 95564539 SUWFUXWPCWQJNC-XZOAIXRZSA-N 433.878 4.268 50 1 IIGF C[S@](=O)(=NC=C(C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1857622389 RBGJCBMWVXZXSV-WJOKGBTCSA-N 438.421 4.122 50 1 IIGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](OC(C)=O)[C@H](CBr)[C@@H](CC)O1 2356665255 ZRNIGMYDZPOFHS-DYSFYUKASA-N 426.178 4.291 50 1 IIGF COc1ccc(/C=N/NC(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)c(O)c1 474609490 QLHMOFRESUSVIC-HXEVDWITSA-N 447.878 4.311 50 1 IIGF O=C1c2ccc(O)cc2O[C@](CCl)(Cn2nnc3ccccc32)[C@@H]1c1ccc(F)cc1 587330012 ZNYWYKGKPJASGS-FYYLOGMGSA-N 437.858 4.313 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)O2 587375054 BKYZUINLUPISGE-ZISLFAKRSA-N 426.314 4.170 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(C(=O)OC)c1)CC2=O 587457398 YLIQHJQNYHTORQ-NRFANRHFSA-N 449.297 4.093 50 1 IIGF C[C@H](CO)[C@H]1OC(C)(C)O[C@@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356762677 MKPDEFGGEITRIH-WIOYSNFSSA-N 442.672 4.102 50 1 IIGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4ccccc4)[nH]c3c2)cc1 587187089 CUZYQXRYINBTGR-LGMDPLHJSA-N 430.489 4.436 50 1 IIGF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1[C@@H]1CCCN(C(=O)CCl)C1 1857560348 UHGMPZJRDBIRKG-QGZVFWFLSA-N 439.899 4.443 50 1 IIGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)o1 1772601515 XMJXJTPBMDXMPJ-ZVHZXABRSA-N 443.419 4.084 50 1 IIGF CC(=O)OC1=C(C[C@H](Br)C(C)(C)Br)C(=O)c2ccccc2C1=O 35246731 KWFOVHSSVVRRNY-ZDUSSCGKSA-N 444.119 4.210 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 587370799 BSZSRDLLBHOKRP-RUZDIDTESA-N 446.890 4.208 50 1 IIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587418984 VPMVNHBWSGPLDW-OSZRXVRWSA-N 427.928 4.034 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 587684779 MJASBWNHOXADHN-YPMLDQLKSA-N 426.717 4.095 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC(=O)Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98082939 TWKXCDKUWPIBTI-DUAKQDELSA-N 446.544 4.033 50 1 IIGF CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@@H](Br)[C@](C)(Cl)C[C@@H]3O2 105365692 WNGMEQXERFPHIP-YWBRGDMXSA-N 428.592 4.365 50 1 IIGF COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCCl 253688025 PACSAYNXHRWUOO-YYIAUSFCSA-N 447.744 4.030 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)[C@@H]1CCCN1C(=O)OC(C)(C)C 963045446 FRCOAIKYNKNXKY-FDDCHVKYSA-N 431.964 4.223 50 1 IIGF CCc1ccc([C@@]2(CCBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963230976 RHMIQHLPAZRGEP-FYYLOGMGSA-N 439.353 4.425 50 1 IIGF CC(C)OCCOc1n[nH]c2ccc(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12 96174404 CLOFLMPDWITNJW-UHFFFAOYSA-N 449.408 4.139 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2O)N1 587672003 CHCVBPATCHQSSW-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1NC(=O)CCl 587893891 IYUWFCDJEHBOFW-UHFFFAOYSA-N 427.690 4.020 50 1 IIGF CN1CCN(C(=O)Cn2cc(/C(C#N)=C/c3cccc4cnccc34)c3ccccc32)CC1 1857598984 VCKNRAOKMBJBQE-PXLXIMEGSA-N 435.531 4.028 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cnn(-c3ccccc3)c1C)O2 587374776 QGPDFUKESJIFGQ-OAQYLSRUSA-N 426.314 4.327 50 1 IIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1Br 587458184 HHRFUSUCRNGSLZ-UZLBHIALSA-N 440.334 4.063 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)oc(=O)n3C)N1 587683521 HNXBSGRHAQLFRJ-APBUJDDRSA-N 439.712 4.050 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587688588 MIVLRBJBGYZUMG-FDMGOTLNSA-N 443.744 4.222 50 1 IIGF CS(=O)(=O)c1ccc([C@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532904 QUFOXYQXUWHXEV-JOCHJYFZSA-N 427.547 4.044 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(CBr)cc1)(C(F)(F)F)NCC2 962919622 BPMFYIMRMGWUHP-LJQANCHMSA-N 441.291 4.235 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2O)N1 587672001 CHCVBPATCHQSSW-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)cc2)N1 587673027 JRVGQWODAGVNKO-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF CN(C(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1)c1ccccc1 1857550686 YHRRELABTIVFSF-LHLOQNFPSA-N 433.895 4.403 50 1 IIGF O=C(CCNCCSSCCNCCC(=O)c1ccsc1)c1ccsc1 66252519 OXYLPDNMMGRVIV-UHFFFAOYSA-N 428.670 4.216 50 1 IIGF Cc1c(O)ccc2c1[C@]([C@@H](C)Br)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963474983 YGNGWZLGKOHBOY-AOSWFRPUSA-N 430.342 4.010 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587495767 TWCWAILQCOHWDZ-UWJYYQICSA-N 437.945 4.399 50 1 IIGF O=C(O)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613827 PHCNQJQCRIRWFW-NQIIRXRSSA-N 430.865 4.177 50 1 IIGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O 26403488 UIXJDFDDMXCJCT-CZPFJUSTSA-N 430.541 4.442 50 1 IIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCCl 100761622 PACSAYNXHRWUOO-QBPKDAKJSA-N 447.744 4.030 50 1 IIGF C[C@]1(c2cccc3nc(CCl)oc23)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647681 YFSHOZGADOZSMV-KXBFYZLASA-N 440.805 4.328 50 1 IIGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC 5580285 JCTJPWQWAMFGAX-CQSZACIVSA-N 443.931 4.243 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccccc1OCCBr 963065023 IBYQMIYZLISTDO-JOCHJYFZSA-N 427.342 4.426 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(-c3cnccn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772570888 OFPRAAWPVYFOGZ-NRFANRHFSA-N 440.429 4.222 50 1 IIGF N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 40461338 RWCJRBAJVHXDSS-JOCHJYFZSA-N 425.400 4.156 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](C2CC2)([C@@H](Cl)C(=O)C(F)F)N1 963175707 HFWDPQITKLMYGL-RBOXIYTFSA-N 446.199 4.005 50 1 IIGF CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)Cl)c2C(=O)c2ccccc2Cl)C1 13442670 MFBGLYQSZOUCBH-JTQLQIEISA-N 425.337 4.103 50 1 IIGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 44431168 MRBZRDGTPZIYOC-MPQGKLDXSA-N 436.545 4.048 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(-c3cnccn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772570889 OFPRAAWPVYFOGZ-OAQYLSRUSA-N 440.429 4.222 50 1 IIGF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@@H](Cl)C=C1)[C@H]([C@@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 169301710 JKVBVDTUNVROKD-NZFCUWSMSA-N 438.015 4.452 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587412597 JCTFGMVZJBZGIT-KSSFIOAISA-N 438.115 4.496 50 1 IIGF COC(=O)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587845241 DAPINZYKNFMGSA-MGNBDDOMSA-N 446.769 4.382 50 1 IIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(-n2ccnc2)cc1 95808887 UIHIFSHLKRDXIC-YZSQISJMSA-N 433.512 4.007 50 1 IIGF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(\C#N)C(=O)N4CCC4)cc3)nc12 148959721 CAAQGIUXHPPODF-LFIBNONCSA-N 428.496 4.070 50 1 IIGF CN(C)CCSSCCCNC(=O)COc1ccc(OCc2ccccc2)cc1 618012606 ROEDIMWQDVBGSV-UHFFFAOYSA-N 434.627 4.094 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169371134 GWMJXQKGFJSHTF-QKIVWASQSA-N 439.350 4.219 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N)cc2)N1 587672860 IPRPTARYRQJQBX-QGHHPUGFSA-N 428.143 4.343 50 1 IIGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1Cl 169655156 CGQNAFNBYGFLTH-GVVVCXPQSA-N 426.178 4.434 50 1 IIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(CCl)c1O 587549220 YTYLMRKVIBMDJY-LAUBAEHRSA-N 427.796 4.448 50 1 IIGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1nccs1)[C@@]2(C)Br 195238975 MLZKOJFIFLLJPG-OUNKRETISA-N 445.379 4.281 50 1 IIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCCCl)c2c1 587619008 YJCYZKHGQPYXMR-UHFFFAOYSA-N 437.905 4.365 50 1 IIGF C=C(C=O)[C@H](COC(=O)CC(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 1857603926 QOZYOXIIMYYKQL-IBGZPJMESA-N 442.508 4.208 50 1 IIGF COc1cc(OC)c(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c(OC)c1 299863736 PTLFMRUPSVLAJH-CVKSISIWSA-N 447.491 4.037 50 1 IIGF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 586971567 UTZKFBBRMQUUEV-GFCCVEGCSA-N 434.128 4.363 50 1 IIGF C=C(C)[C@@H](CC[C@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@H]1/C=C/OC(=O)C=C(C)C)OO 238738234 UJJUMNMPDZRFHA-UGQYKUETSA-N 448.556 4.333 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)cc(O)n4C)([C@H](C)Br)[C@@H](C2)C3=O 587415337 RFUGSNISEBABOP-DOCRCCHOSA-N 442.309 4.319 50 1 IIGF COc1ccc2c(c1OC)[C@H]([C@@H](Br)C(C)C)N(C(=O)c1ccccc1N)CC2 963155554 HWJXYJLFFXPKKZ-VQTJNVASSA-N 447.373 4.445 50 1 IIGF Cc1cc2c(cc1C)[C@]1(C(C=O)=C(N)O2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188200 AFXVCILJLXNTKH-NAKRPHOHSA-N 435.527 4.432 50 1 IIGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)[C@H](O)[C@H]12 299857609 NYAOZNWYVPECJM-WSKJNLASSA-N 447.486 4.310 50 1 IIGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC(=O)N4)([C@@H](C)Br)[C@@H](C2)C3=O 587415485 TZMBRPBPXPGSEB-ZQNCNBDLSA-N 442.309 4.006 50 1 IIGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962772440 WEILBUJFGLZIPF-WILYLXEWSA-N 442.275 4.368 50 1 IIGF COc1ccc(-c2cc(C#N)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 1772636953 MMJQXQBCPRKGOG-QHCPKHFHSA-N 431.521 4.355 50 1 IIGF COc1ccc(CO[C@]2(C)CC[C@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 139348206 CARVDRVVWOJGKC-LSUHJGNXSA-N 446.565 4.334 50 1 IIGF O=CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 587617026 OCTYQKMVDORSIQ-JYFHCDHNSA-N 442.423 4.264 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682892 DZKSUWKIWMCZII-FKIZINRSSA-N 439.756 4.241 50 1 IIGF C=C(C)[C@H](CC[C@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1C=COC(=O)C=C(C)C)OO 2356530852 UJJUMNMPDZRFHA-KXEAFHOWSA-N 448.556 4.333 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587009495 ILBRVICFJXXRDF-INIZCTEOSA-N 432.267 4.245 50 1 IIGF C#CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857636969 VJSXNMOUFYTLHT-UHFFFAOYSA-N 435.698 4.430 50 1 IIGF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 473097981 DWUOOXAVZKKYMV-CVKSISIWSA-N 449.511 4.240 50 1 IIGF CS(=O)(=O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531201 JLODCQXRJOVXGR-OAQYLSRUSA-N 449.366 4.225 50 1 IIGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O 2356611946 OUNVTMYSIGQAQF-DVECYGJZSA-N 440.492 4.428 50 1 IIGF COc1ccc2cc1Oc1ccc(cc1)C[C@@H](I)COC(=O)CC2 26738252 QXYZGPIHWFQASX-OAHLLOKOSA-N 438.261 4.323 50 1 IIGF O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cc(O)c(O)c(O)c1 653899240 VUJKMDGLWXGPOQ-VULFUBBASA-N 428.444 4.300 50 1 IIGF CC1(C)c2[nH]c(Br)nc2C=CNC(=O)Cc2c([nH]c3ccccc23)C[C@H]1Cl 2356836946 LFJOPHVFJZMZAO-MRXNPFEDSA-N 447.764 4.424 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587419272 BSSIFUJUXAYVMS-IFXJQAMLSA-N 425.225 4.334 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-n3cnc(C)c3)cc1)O2 587376601 XOZJFDZSOBRCQL-OAQYLSRUSA-N 426.314 4.327 50 1 IIGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(Br)cc1 1772590862 XYRFCBUWJWMBDX-MRXNPFEDSA-N 425.242 4.002 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100652175 FZEHYOZWPOWKSL-BDVJDTQKSA-N 435.524 4.238 50 1 IIGF C[C@@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531985 KEFYYSFCUXWOLL-PEBXRYMYSA-N 433.957 4.425 50 1 IIGF CCOC(=O)[C@@]1(CCCCCCCl)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983751 ZHRFCGXRLQVRPO-LIRRHRJNSA-N 438.298 4.165 50 1 IIGF C[C@H](Cn1ccnc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32)O[Si](C)(C)C(C)(C)C 963017628 DAWOIFMGBDCKEQ-YVHKJVDXSA-N 440.664 4.436 50 1 IIGF CC(=O)N(C)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27320059 JIQGCSABFPLGNQ-QFIPXVFZSA-N 434.496 4.020 50 1 IIGF CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533301 SKNXPAWJEQSZHP-LEWJYISDSA-N 449.366 4.192 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccccc1OCCBr 963065036 IBYQMIYZLISTDO-QFIPXVFZSA-N 427.342 4.426 50 1 IIGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587412405 BURRGMWNZUHFFJ-KAJFERSBSA-N 433.298 4.139 50 1 IIGF CC(=O)NCCc1ccc([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962377286 WLEOPHWLKAYCMT-DEOSSOPVSA-N 442.028 4.306 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587831208 HIOJWRXPTPIHRK-JLCFBVMHSA-N 444.300 4.489 50 1 IIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2CCCCl 169372847 PACSAYNXHRWUOO-VVLHAWIVSA-N 447.744 4.030 50 1 IIGF CCC[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473081553 CMSBSFIUOSFUQO-MRXNPFEDSA-N 436.335 4.494 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587539875 YGUDDNXOVOWPKY-UZLBHIALSA-N 430.254 4.249 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2O)N1 587672002 CHCVBPATCHQSSW-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)c12 962638645 NIXMBNHCOCTOHL-YWZLYKJASA-N 438.833 4.456 50 1 IIGF CC(C)c1nn(C)c2c1[C@](CBr)(c1ccc(CBr)cc1)NCC2 962919569 PVEGQFWUZOGRHJ-SFHVURJKSA-N 441.211 4.223 50 1 IIGF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)NN)cc2[nH]1 587088463 WYDOOJCSSXNTLS-VQHVLOKHSA-N 441.322 4.197 50 1 IIGF COc1ccc2c(c1OC)[C@](CCl)(CCCCl)N(C(=O)c1ccccc1N)CC2 963137280 HQGMEQOTQYQHBE-JOCHJYFZSA-N 437.367 4.438 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(C)c1Cl 71316654 QETHRCCHQRWBIJ-OXKPQTCESA-N 448.943 4.220 50 1 IIGF N[C@H](CCl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587011026 PZWCGDIIMLNZSP-MRXNPFEDSA-N 449.850 4.084 50 1 IIGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4ccccc4)[nH]c3c2)cc1 587187084 CUZYQXRYINBTGR-GHRIWEEISA-N 430.489 4.436 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1Br)[C@@H](C2)C3=O 587414358 LXJIPNHDCCTDNL-UGSOOPFHSA-N 438.115 4.496 50 1 IIGF CCCc1c(O)ccc2c1O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)CC2=O 587488378 QKCKRPLREJJTRN-ZSEKCTLFSA-N 437.945 4.204 50 1 IIGF CC(=O)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857752989 BTSFYFYWWSNJNV-UHFFFAOYSA-N 439.686 4.344 50 1 IIGF CC(=O)Nc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587688719 NKWMPOAYJIHSES-APBUJDDRSA-N 441.728 4.269 50 1 IIGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973135 FVCXWVZXPDQNED-OWOJBTEDSA-N 426.723 4.425 50 1 IIGF COC(=O)c1cccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587688773 OBNLAYZNNLAZIL-WLRWDXFRSA-N 426.713 4.391 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc(Br)c1OC 34392446 OYSNFWFWWNCTSC-KRWDZBQOSA-N 438.281 4.233 50 1 IIGF CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533321 SKNXPAWJEQSZHP-SFTDATJTSA-N 449.366 4.192 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 587682027 BCGVMEDEKITQGQ-NIVTXAMTSA-N 425.685 4.452 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587706256 PTBPVJSROJRPMJ-ZSTCXTCPSA-N 428.651 4.467 50 1 IIGF O=C(c1cccnc1Nc1nc2ccc(Cl)cc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103284669 MOSLFDZZDYWVIW-KBPBESRZSA-N 442.759 4.264 50 1 IIGF C=C(C)C[C@H](OC)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1 197978585 ZYZFSBDFEXEUIT-ZEQRLZLVSA-N 440.656 4.286 50 1 IIGF CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543094 ITUZXHBTIHRXHM-QPPBQGQZSA-N 438.863 4.499 50 1 IIGF Cc1ccnc2c1CCN[C@]2(CBr)c1ccc(Br)c(F)c1F 963069361 MEAHNLICKLCOPU-MRXNPFEDSA-N 432.106 4.215 50 1 IIGF CC(=O)NCCc1ccc([C@]2(CCl)c3cccc(Br)c3CCN2C)cc1 963279716 JGGXLRTUMGWKQS-OAQYLSRUSA-N 435.793 4.098 50 1 IIGF CC1=C[C@H](O)[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 2356818871 DXEYHWFMHUQAKH-VDYPAOQASA-N 428.592 4.365 50 1 IIGF COC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587327787 RPMNQYIBLZHEHK-DENIHFKCSA-N 430.815 4.404 50 1 IIGF CCOC(=O)C[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587670454 KPCMSODJWAROLS-XIZWVBILSA-N 437.147 4.054 50 1 IIGF C[C@H](Cn1ccnc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32)O[Si](C)(C)C(C)(C)C 963017620 DAWOIFMGBDCKEQ-DRSNIGMVSA-N 440.664 4.436 50 1 IIGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O 13833843 GGFWNDJYHSAUAY-NYYWCZLTSA-N 431.926 4.348 50 1 IIGF Cc1cc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)c(C)o1 73197271 LSZOLNRLIFNHPZ-UHFFFAOYSA-N 436.851 4.101 50 1 IIGF O=C(CSc1ccc(NC(=O)C(Cl)Cl)cc1)Nc1ccc(Br)cn1 96908533 XNEJVFXJEOJQPP-UHFFFAOYSA-N 449.157 4.317 50 1 IIGF CC(C)CS(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 27641482 YKFWOAOKLHCEAL-WYMPLXKRSA-N 444.940 4.392 50 1 IIGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccccc1 95596103 CXEDTQSCJALFCZ-LAYTVVDLSA-N 442.520 4.358 50 1 IIGF CC(C)(Cl)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@](C)(NC=O)[C@@H](O)[C@@H]32)O1 169664637 NZJBVTRZEMHWOO-ZQCUCNCGSA-N 443.053 4.105 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)C=O)cc2)N1 587686664 XCQSHFUSRWBOHB-BUXKBTBVSA-N 425.729 4.197 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CCC)[C@@H](Br)[C@@H]1Cl)OC(C)=O 2356545769 ZISJSYRNBYDCQF-RHJCGQNESA-N 426.178 4.434 50 1 IIGF COc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1O 84618332 KTTHRIRCURRCDY-AFUMVMLFSA-N 446.532 4.193 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(C#N)=C\N(C)C)(C(F)(F)F)N1 587707825 XJUJNHXCJDEYNU-MOBOYJSHSA-N 432.259 4.405 50 1 IIGF N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 98082106 CTHWWZOUKOEZSB-HNNXBMFYSA-N 445.332 4.157 50 1 IIGF CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414962 PYTTVXUPXCFRSX-SFGWALBWSA-N 444.325 4.470 50 1 IIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587418986 VPMVNHBWSGPLDW-WJDFUICOSA-N 427.928 4.034 50 1 IIGF CCN(c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O 587531211 JSCABLCXVMQXQQ-HSZRJFAPSA-N 447.984 4.451 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544252 NHGJFVYXFUXRRY-YOKWENHESA-N 433.888 4.245 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587686690 DGIYNEMXFXFKCY-OVWNDWIMSA-N 441.728 4.269 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587687325 ZYOYUNZLGAKBFE-ODXCJYRJSA-N 439.756 4.023 50 1 IIGF C[C@H](Oc1cccc(O[C@@H]2O[C@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1)C(=O)O 103179110 BHQBSSXHCHYQFM-LPDJQNKCSA-N 448.512 4.125 50 1 IIGF COc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 103229550 ICIJKJRUNGBZFZ-UBPKGZPWSA-N 436.514 4.178 50 1 IIGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@H]3O2)O1)CC=CC(C)(C)OO 2356739393 WTBRDXOTECDHCP-BEZYRKKYSA-N 430.541 4.432 50 1 IIGF COc1ccc2c(c1)[C@H](CCNC(=O)CI)C[C@@H](c1ccccc1)C2 40423366 YPOSIXAVJCRBPF-MSOLQXFVSA-N 449.332 4.450 50 1 IIGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531982 KEFYYSFCUXWOLL-FPTDNZKUSA-N 433.957 4.425 50 1 IIGF O=C(O)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 13151930 JGVHSWXYIOECCL-ATPBDYNCSA-N 448.884 4.044 50 1 IIGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587495882 AOKFIBHMHGFHMH-QHCPKHFHSA-N 427.884 4.352 50 1 IIGF CC(C)CN(NC(=O)c1ccc2sccc2c1)c1nc(C#N)ncc1Br 58581646 BHJRDXZLJRRZAA-UHFFFAOYSA-N 430.331 4.133 50 1 IIGF O=C(Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 68600546 SYAZPSFSOVDDCC-UHFFFAOYSA-N 443.395 4.453 50 1 IIGF biogenic O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@H]4C=C[C@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84671589 JRFQTWCRCSYLPZ-UTJOPDCWSA-N 434.532 4.471 50 1 IIGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1c1ccccc1Cl 1857628203 MUXXXKOVVCWJRU-OQKWZONESA-N 444.727 4.193 50 1 IIGF CC[C@H](C)[C@@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@@H]2[C@@H]1C=CC=CC=CC(=O)O 2356465131 HKYWSADNTBIHIQ-PFKJVCAQSA-N 426.553 4.402 50 1 IIGF COc1ccc2c(c1OC)[C@@](CBr)(c1c(F)cccc1F)N(C)[C@@H](C)C2 962633146 SUWLENNVWXMFMN-YUNKPMOVSA-N 426.301 4.497 50 1 IIGF CCOC(=O)C1([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587672010 CIVDVIOMCMTEEA-DYZYQPBXSA-N 449.158 4.056 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587543876 MCCSNFYBOUFZMY-OFNKIYASSA-N 439.851 4.152 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587685249 OUBJAOXBGPCJTP-YUNKPMOVSA-N 439.756 4.023 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 587687210 ZDFXLVHTAHNDAE-NSPYISDASA-N 426.713 4.376 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]1Cl)OC(C)=O 2356498433 WLCJKJLAQCETBJ-LTAJLKHCSA-N 426.178 4.434 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)cc2O)N1 587672688 HCTAZKJYLDYBRA-HUTHGQBESA-N 445.126 4.172 50 1 IIGF CCN(c1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O 587922863 HCXMXCWPLNITTB-MHWRWJLKSA-N 441.534 4.071 50 1 IIGF C=C(C)[C@H](CC[C@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@@H]1C=COC(=O)C=C(C)C)OO 2356530854 UJJUMNMPDZRFHA-UEOMBKFZSA-N 448.556 4.333 50 1 IIGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 238786181 YWSUKYNHOWEDJX-ZYXXIYIASA-N 430.541 4.298 50 1 IIGF CC(=O)O[C@H]1C[C@H]([C@@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br 98082335 JKJDNZFOACWTKF-PTYPJUEDSA-N 438.971 4.333 50 1 IIGF CC[C@H](C)[C@@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@H]2[C@@H]1C=CC=CC=CC(=O)O 2356465132 HKYWSADNTBIHIQ-PPFRDCARSA-N 426.553 4.402 50 1 IIGF O=C(COc1cccc(Cl)c1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285280 HWDOOKCFSPSPEX-UHFFFAOYSA-N 425.941 4.081 50 1 IIGF CC(=O)NCCc1ccc([C@@]2(CCl)c3cccc(Br)c3CCN2C)cc1 963279715 JGGXLRTUMGWKQS-NRFANRHFSA-N 435.793 4.098 50 1 IIGF Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539699 XMWVOWXSVYKQMF-WIYYLYMNSA-N 426.266 4.226 50 1 IIGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)CO)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@@]21C 2356448062 NUVPMECBNLBBBB-MCMLLFEOSA-N 439.036 4.233 50 1 IIGF NC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587375642 NMRRQNMEZSPPBF-GHTZIAJQSA-N 431.872 4.185 50 1 IIGF Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587615961 YEYHYRUGICYLML-XXHMAFKTSA-N 426.881 4.404 50 1 IIGF Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(OC(F)(F)F)ccc21 101635493 XEVWCBAXNOEVDC-BWAHOGKJSA-N 425.476 4.287 50 1 IIGF COc1ccc(Cc2ccc(OC(F)(F)F)c(/C=C(\C#N)S(C)(=O)=O)c2)cc1OC 1857620958 JJFVDIUAXHNLOL-LFIBNONCSA-N 441.427 4.102 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)O2 587371612 HBELYJIHWNFVCH-XMMPIXPASA-N 437.927 4.479 50 1 IIGF CC1(C)C[C@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@@H]3O1 1622854 GVMCFABUMAZWFR-NVQXNPDNSA-N 435.487 4.296 50 1 IIGF CCn1c(/C(C#N)=C(\NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 169689932 YCKSACLXGRSVLO-FXBPSFAMSA-N 434.546 4.488 50 1 IIGF CC(C)CN(NC(=O)c1ccc(-c2ccccc2)o1)c1nc(C#N)ncc1Br 58568812 KXONYPWSYJRFMW-UHFFFAOYSA-N 440.301 4.178 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCCC[C@H]2Br)N1 963181835 HTDWQLDEMBFSAP-GUTXKFCHSA-N 426.660 4.491 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)c1 587686557 VTECBBKUWNMSBJ-RNODOKPDSA-N 449.755 4.494 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H](Cl)C(=O)C(F)(F)F)N1 587706226 PKMUZPLGQGZZQU-LNSLMCEBSA-N 428.651 4.467 50 1 IIGF O=C(N/N=C/c1cc(Cl)ccc1O)c1cc(Br)ccc1Br 1857571732 SLCIMYLQDNLBSW-CNHKJKLMSA-N 432.499 4.335 50 1 IIGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)c1C(=O)NN 1857606812 MEMFPFWHDVZNRC-PFGXERJPSA-N 429.630 4.341 50 1 IIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCCl 13745906 PACSAYNXHRWUOO-HZMVEIRTSA-N 447.744 4.030 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587684095 KIUFLAAAYSPBHB-YBTHPKLGSA-N 437.740 4.490 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@@H](C)CCCC)CC[C@@H]2C(=O)O 2356433772 UIXJDFDDMXCJCT-OBJXTAANSA-N 430.541 4.442 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3nncc3-c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102145231 AYAMKYTUMJIURS-DLQZLCHUSA-N 429.492 4.465 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cc1noc(CCl)n1 587879033 GRPVGYAPNZKFID-UHFFFAOYSA-N 448.737 4.416 50 1 IIGF COc1ccc(CO[C@@]2(C)CC[C@@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 140064074 CARVDRVVWOJGKC-DLTYFMDKSA-N 446.565 4.334 50 1 IIGF COc1cccc(NC(=S)NNC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 1857573910 MSLKTRWMOSUZPL-UHFFFAOYSA-N 445.548 4.487 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@@H](C)CC(C)C)CC[C@H]2C(=O)O 2356501124 OLZZQQSRXUVXDD-SEGCKJIMSA-N 442.552 4.464 50 1 IIGF O=C1OC(=O)c2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc3cccc1c23 95584794 BQVJJSDSKHLTEQ-UHFFFAOYSA-N 428.274 4.320 50 1 IIGF CN(C)CCCn1cccc1/C=N/NC(=O)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857652740 NUBWRMBOYRNHRH-WPWMEQJKSA-N 445.527 4.216 50 1 IIGF Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)s1 103238647 UOJFYDJBFJNDKU-FCDQGJHFSA-N 439.591 4.090 50 1 IIGF CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 473168086 JWRPYDQUNPHLSO-NCJMRHMESA-N 432.307 4.154 50 1 IIGF Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539697 XMWVOWXSVYKQMF-NQIIRXRSSA-N 426.266 4.226 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(=O)Br)cc1 587875248 PUFGQZHUDFFAJX-UHFFFAOYSA-N 439.136 4.433 50 1 IIGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c(OC)c1OC 1648080 AUXOUNCEXATLHW-LBPRGKRZSA-N 445.859 4.085 50 1 IIGF O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@@H](Cl)[C@@H]1Cl 103284656 RSRXKXLIPZCCOJ-ZIAGYGMSSA-N 442.759 4.264 50 1 IIGF COc1cccc([C@@]2(CBr)c3ccsc3CCN2Cc2cccn2C)n1 962378449 YJJLFDOUBLNSGV-HXUWFJFHSA-N 432.387 4.187 50 1 IIGF N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 1857621625 XCJGPMPIRLSBSP-UHFFFAOYSA-N 442.910 4.050 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl 85635054 QETHRCCHQRWBIJ-QNUYODKPSA-N 448.943 4.220 50 1 IIGF in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 587687202 YFVRMIYKCLDPDX-LGAXPXOHSA-N 433.159 4.470 50 1 IIGF COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(C)c1Cl 15115456 QETHRCCHQRWBIJ-SFDMBBKTSA-N 448.943 4.220 50 1 IIGF endogenous,in-man C[C@@H](Oc1ccc(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)C(=O)O 103180553 QCCZQHVPNNVIBT-ISCRBPEWSA-N 448.512 4.125 50 1 IIGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)CC=CC(C)(C)OO 2356739395 WTBRDXOTECDHCP-VLOWTAQSSA-N 430.541 4.432 50 1 IIGF C[C@H](Oc1cccc(O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1)C(=O)O 103179113 BHQBSSXHCHYQFM-MHIHGQKISA-N 448.512 4.125 50 1 IIGF CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCC)OCC)SC 103202271 GCGTVQWIDMTTLS-WECAROLCSA-N 430.438 4.341 50 1 IIGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 621485903 SOMASQHQHGMUDI-UHFFFAOYSA-N 433.521 4.423 50 1 IIGF COc1cccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c1 84587360 LPZBWCMSXOHBLN-MFKUBSTISA-N 430.533 4.488 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541272 ALMAHVWXHPZDTF-URXFXBBRSA-N 437.879 4.124 50 1 IIGF Nc1ccccc1C(=O)[C@H](Br)[C@@H](Br)c1ccc2c(c1)OCO2 1634572 VVNKQNLRCJLCRB-LSDHHAIUSA-N 427.092 4.080 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]c(C)cc32)cc(Br)c1OC 40822648 MZQFRWCKYCIUPL-GOSISDBHSA-N 440.297 4.474 50 1 IIGF O=CN1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587543107 IWPIBAWBAUKLFU-QPPBQGQZSA-N 435.863 4.007 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)[C@@H]1CCCN1C(=O)OC(C)(C)C 963045448 FRCOAIKYNKNXKY-MBSDFSHPSA-N 431.964 4.223 50 1 IIGF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(Cl)CC3)co2)cc1 40566982 ZTSIZVQYCRBJBF-UHFFFAOYSA-N 437.927 4.044 50 1 IIGF CC(C)C[C@H](C(N)=O)N(Cc1ccc(CCl)cc1)S(=O)(=O)c1ccc(Cl)cc1 95556841 FYFNXWDYJNYCTI-LJQANCHMSA-N 443.396 4.170 50 1 IIGF COC(=O)C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 1857623175 VGARIQOMXRAOII-OIJAXXASSA-N 435.358 4.170 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2C(CBr)(CBr)N1 587672076 CUHWJVPLZKNJSW-ZETCQYMHSA-N 429.953 4.108 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(O)c2)N1 587673424 MQSHDBLGGOKEHO-BTDLBPIBSA-N 429.127 4.467 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3nccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169339954 MLZKOJFIFLLJPG-UFTOOPKASA-N 445.379 4.281 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587845243 DAPINZYKNFMGSA-MLCYQJTMSA-N 446.769 4.382 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=C[C@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 2356388282 YWSUKYNHOWEDJX-ZURVEWEESA-N 430.541 4.298 50 1 IIGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(=O)CC(C)C)ccc1O 2356611945 OUNVTMYSIGQAQF-CYFREDJKSA-N 440.492 4.428 50 1 IIGF O=C(NCC1CC1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829591 CIDCWYGJBMLXNV-CYXNTTPDSA-N 444.515 4.409 50 1 IIGF COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587422698 RHLUPWCJHZMJEJ-NTKDMRAZSA-N 440.879 4.401 50 1 IIGF CS(=O)(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533317 SKNXPAWJEQSZHP-NHCUHLMSSA-N 449.366 4.192 50 1 IIGF CCOC(=O)C1([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587674170 UDNSKRQIOUCQAD-QGHHPUGFSA-N 449.158 4.056 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587850545 ZTEIAJODHYAWGC-MLCYQJTMSA-N 445.785 4.368 50 1 IIGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)[C@@H](O)[C@H]12 221740335 NYAOZNWYVPECJM-QJSAOCQHSA-N 447.486 4.310 50 1 IIGF CCCCOc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963511854 VIRAUHNQNSSMKB-PGRDOPGGSA-N 448.357 4.117 50 1 IIGF CC[C@H](C)[C@@H]1[C@H]2C=C3[C@H](OC(=O)CCC(=O)OC)[C@H](C)C[C@H](C)[C@H]3[C@@]1(C)C(=CC=O)O2 2356508127 CETRZRNQBVTCKB-WHHQKHRCSA-N 432.557 4.234 50 1 IIGF CCOc1cc(C=C(C#N)C#N)cc(-c2cc(C=C(C#N)C#N)cc(OCC)c2O)c1O 44118067 JQYDDUCSELLVSU-UHFFFAOYSA-N 426.432 4.423 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195217663 FZEHYOZWPOWKSL-KARIVYHHSA-N 435.524 4.238 50 1 IIGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccc(OC)c3OC)cc2)nc2ccccc21 1772643063 ZDPSKWUPVMDZHJ-WPWMEQJKSA-N 438.487 4.118 50 1 IIGF COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1911576384 BHRLSQTXFVUGSG-QFIPXVFZSA-N 438.439 4.392 50 1 IIGF O=C(CSc1nnc(SCc2ccccc2)s1)NN/C=C1\C=Nc2ccccc21 13119325 VNXNSDPNQMUIND-RVDMUPIBSA-N 439.591 4.300 50 3 IIGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 169703242 YZSPKSVHFQXFMN-IFMALSPDSA-N 427.464 4.069 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)CCCC)CC[C@H]2C(=O)O 2356433774 UIXJDFDDMXCJCT-ZTBJBKCMSA-N 430.541 4.442 50 1 IIGF CCOC(=O)/C=C/[C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C 195491874 XKHONUBXOPIYFT-RFJJORBGSA-N 444.647 4.204 50 1 IIGF CN1C(=O)CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587541480 BWXCFAFFHWYGRK-WIOPSUGQSA-N 449.890 4.397 50 1 IIGF CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704744 JVRDJTHTPSGBCC-UEXBWHTRSA-N 432.639 4.051 50 1 IIGF Cc1cc([C@]2(CCl)NCCc3nc4ccccn4c32)c(C)n1-c1ccc2c(c1)OCCO2 962980048 BMGXACSWCHJCPU-VWLOTQADSA-N 448.954 4.141 50 1 IIGF COc1cc([C@@H]2[C@@H](Cl)C(=O)N2Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 1772648615 HAWOKTVBTNWRMU-RTBURBONSA-N 448.306 4.432 50 1 IIGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(S(C)(=O)=O)nc2n1 73312917 QCIGPOGXRDENML-UHFFFAOYSA-N 429.396 4.237 50 1 IIGF O=CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCc2ccccc2)=CO1 587617028 OCTYQKMVDORSIQ-ZEQKJWHPSA-N 442.423 4.264 50 1 IIGF COc1cccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c1 84587358 LPZBWCMSXOHBLN-MYYYXRDXSA-N 430.533 4.488 50 1 IIGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc3c(c2)NC(=O)CO3)N1 962943258 GFVYXTIXGIIGQC-RCDICMHDSA-N 440.341 4.062 50 1 IIGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCBr 26006153 WNTAWOKCXXOSLF-DJAYXGLKSA-N 434.418 4.145 50 1 IIGF COC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587327792 RPMNQYIBLZHEHK-SIKLNZKXSA-N 430.815 4.404 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(CCl)c1O 587549222 YTYLMRKVIBMDJY-UTKZUKDTSA-N 427.796 4.448 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 587689794 WIHIUFAGEHBFEG-IZDJOXEWSA-N 439.756 4.110 50 1 IIGF O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc2c(c1)OCO2 101637642 DXFBZFJQMFJHLK-FVDSYPCUSA-N 449.466 4.249 50 1 IIGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(C(C)(C)C)cc2)no1)SC 103220926 FJSYFBOISIMXPO-XUTLUUPISA-N 443.569 4.407 50 1 IIGF Cc1cc2c(cc1O)[C@](CCCCl)(c1ccc(Br)s1)N[C@H](C(=O)O)C2 963556210 VWQFSMUROMSWFU-SCLBCKFNSA-N 444.778 4.386 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2Cl)c1 96284129 JFBQWJVEPHLFPB-OAQYLSRUSA-N 442.882 4.000 50 1 IIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424939 YHYDHPJALMTHLP-IFXJQAMLSA-N 425.225 4.334 50 1 IIGF O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26169107 PNFMXOZDPUNHNN-NSNHACAGSA-N 440.327 4.299 50 1 IIGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1 29126244 YQAZLDAZUNTQJZ-DHRITJCHSA-N 440.883 4.406 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587495764 TWCWAILQCOHWDZ-DYESRHJHSA-N 437.945 4.399 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(F)c1NC(=O)CCl 587892767 YKJWTCJALCSFTF-UHFFFAOYSA-N 445.680 4.159 50 1 IIGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236965 TVUCRRUFZGXKKY-BJWLPLICSA-N 447.279 4.139 50 1 IIGF COC(=O)c1c2ccn(CCCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 136551131 CKSPMRKOYYPSMK-UHFFFAOYSA-N 433.468 4.151 50 1 IIGF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCCCCC(=O)NN 587862636 STIKVHYHDHZAJM-UHFFFAOYSA-N 440.466 4.328 50 1 IIGF C[C@]1(c2ccc(-c3ccc(B(O)O)cc3)cc2)c2ccsc2CCN1Cc1ccco1 962703479 BXHUBOUTIAXRFM-VWLOTQADSA-N 429.350 4.010 50 1 IIGF CC1(C)C(Br)=C[C@@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@](C)(Cl)C[C@@H]2O 238755087 YYDCCCDZFWJKIO-NCWRXGJMSA-N 428.592 4.365 50 1 IIGF NC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587375662 NMRRQNMEZSPPBF-RXVVDRJESA-N 431.872 4.185 50 1 IIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2cccc(C)c2)c2ccccc21 58590618 LUXFUIZWHUTCGH-JWGURIENSA-N 427.460 4.037 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)O2 587371569 GWEDRKXNVXOASP-KRYHZZBUSA-N 439.350 4.122 50 1 IIGF C[C@]1(c2cccc3nc(CCl)oc23)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647654 YFSHOZGADOZSMV-BEFAXECRSA-N 440.805 4.328 50 1 IIGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)c1C(=O)NN 1857606811 MEMFPFWHDVZNRC-NACPMUDASA-N 429.630 4.341 50 1 IIGF CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)Cl)c2C(=O)c2ccccc2Cl)C1 13442668 MFBGLYQSZOUCBH-SNVBAGLBSA-N 425.337 4.103 50 1 IIGF CCOCCNc1nc(SC)nc2c1cnn2C[C@H](Br)c1ccccc1 40848581 CQSUZHXYLJSFSI-HNNXBMFYSA-N 436.379 4.133 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(N)=O)cc2)N1 587684776 MJASBWNHOXADHN-MGNBDDOMSA-N 426.717 4.095 50 1 IIGF O=C(N/N=C/c1ccc(OCc2ccccc2C(F)(F)F)cc1)c1cc(O)cc(O)c1 653890351 ZNSZNGIZWKCULT-RPPGKUMJSA-N 430.382 4.460 50 1 IIGF Cc1cc([C@@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962732070 WKBUMOBAZYHYMY-FUHWJXTLSA-N 430.239 4.418 50 1 IIGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCCl)(c2ccc(Br)cc2F)N1 962914162 RZDIVSYJBPLWSI-FUHWJXTLSA-N 430.676 4.199 50 1 IIGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@]3(CC[C@@H](O3)[C@@H]1Br)C[C@@H]2Cl 2356313333 WPEZFVRVOYPLJW-FARDQHETSA-N 442.575 4.263 50 1 IIGF COc1ccc2[nH]cc(/C=N/NC(=O)c3cnc4c(C(F)(F)F)cccc4c3O)c2c1 73195934 VBOMOOSVDDYMQO-OXUBWTJQSA-N 428.370 4.213 50 1 IIGF O=C(CCNCCSSCCNCCC(=O)c1cccs1)c1cccs1 66252071 UNYGVHGBAGRIIC-UHFFFAOYSA-N 428.670 4.216 50 1 IIGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688341 LLUYZHRIGMUPAU-AHYKXKOGSA-N 426.713 4.471 50 1 IIGF CC(=O)O/C=C1/CCC/C(C=O)=C/C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@H]12 238786633 MUXFWFVUPRRJJA-XLKYJIJZSA-N 430.497 4.094 50 1 IIGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O 587410993 ASMHFJOZQKXAJF-LCDZFQHCSA-N 439.309 4.070 50 1 IIGF COc1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1COc1ccc(F)cc1F 13144733 XQONTDLMUPBAQO-ZRGSRPPYSA-N 442.466 4.337 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587834704 RYCBQNUAAXGGNT-JLCFBVMHSA-N 444.300 4.489 50 1 IIGF O=C(N/N=C/c1cccc(OCc2ccccc2C(F)(F)F)c1)c1ccc(O)c(O)c1 653890332 XFNCLYSLFPMQKX-RPPGKUMJSA-N 430.382 4.460 50 1 IIGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C)[C@@H](C)C2 962568750 LFYGESSSAAZAAM-JAUXOLPYSA-N 442.987 4.360 50 1 IIGF CCc1ccc([C@]2(CCBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963230978 RHMIQHLPAZRGEP-GMAHTHKFSA-N 439.353 4.425 50 1 IIGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc2ccccc2nc1N1CCOCC1 72124791 HTLTVXLIJLGWPW-DEOSSOPVSA-N 434.499 4.443 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2Cl)cc1 96284147 CCDBAUDZNHBTLX-OAQYLSRUSA-N 442.882 4.000 50 1 IIGF COc1ccc(CO[C@@]2(C)CC[C@H]3C[C@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 100834521 CARVDRVVWOJGKC-UQAQOTMJSA-N 446.565 4.334 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cc2nc(CCl)no2)cc1 587885090 VLEGOZLUUPBMDX-UHFFFAOYSA-N 448.737 4.416 50 1 IIGF O=C(Cc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27632572 KBUHNGMKPULHCD-UHFFFAOYSA-N 436.689 4.401 50 1 IIGF CN(C)CCSSCCN(C)C(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1 618010359 VDDDZLUFNLKHDS-UHFFFAOYSA-N 434.675 4.244 50 1 IIGF O=C(N/N=C/c1ccc(OCc2ccccc2C(F)(F)F)cc1)c1cc(O)c(O)c(O)c1 653884737 CODAFGLBCMNABU-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF O=C(CCn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1c(O)ccc2ccccc12 96929693 YDCYRYOBXKNMCF-LGJNPRDNSA-N 426.398 4.454 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 98082108 BCRCQWFUHLSYEB-INIZCTEOSA-N 430.361 4.257 50 1 IIGF COc1ccccc1N1CCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)CC1 101507557 UQGKGDXIWTUHBK-QOCHGBHMSA-N 432.549 4.434 50 1 IIGF Cc1c(O)ccc2c1[C@]([C@H](C)Br)(C1(c3ccccc3)CC1)N[C@H](C(=O)O)C2 963474984 YGNGWZLGKOHBOY-ICSGCJEQSA-N 430.342 4.010 50 1 IIGF S=C(SSC(=S)N1CCO[C@H]2CCCC[C@@H]21)N1CCO[C@H]2CCCC[C@@H]21 1772581070 GTLRTGBGRYQSAJ-VGWMRTNUSA-N 432.702 4.224 50 1 IIGF CC(=O)Nc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1 29126443 DAZQBAMNGQYHNP-DHRITJCHSA-N 437.883 4.347 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587690170 ZTYBQUBFIVAEJX-RMDKCXRXSA-N 443.744 4.222 50 1 IIGF COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@]12C 254048090 VGARIQOMXRAOII-LUNPCJQFSA-N 435.358 4.170 50 3 IIGF CC(C)OCCOc1n[nH]c2ccc([C@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@H]3C#N)cc12 169694603 XKLICQWRYRXPHA-XJKSGUPXSA-N 449.408 4.353 50 1 IIGF Cc1ccc(-c2cnc(Cl)c(Cn3cc(/C=N/NC(=O)c4ccc(F)cc4)nn3)c2)cc1 299864263 RBRRYXZGPFLVBR-KKMKTNMSSA-N 448.889 4.253 50 1 IIGF O=C1C[C@@](CBr)(CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587530047 DDMYOPSYVPKWMU-OAQYLSRUSA-N 449.366 4.138 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(O)c2)N1 587673426 MQSHDBLGGOKEHO-QGHHPUGFSA-N 429.127 4.467 50 1 IIGF CCN(c1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O 587922867 HCXMXCWPLNITTB-YBEGLDIGSA-N 441.534 4.071 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587685248 OUBJAOXBGPCJTP-ODXCJYRJSA-N 439.756 4.023 50 1 IIGF CC1(C)C(Br)=C[C@H]2O[C@@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 13449965 YYDCCCDZFWJKIO-UBHGWVTLSA-N 428.592 4.365 50 1 IIGF biogenic C/C(=N\NC(=O)CC(C)C)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 13638577 CPRGVHNVBBZCNS-AUEPDCJTSA-N 425.436 4.093 50 1 IIGF O=C1c2cc(F)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr 28711217 ZWWTYVZYDXXIBG-UHFFFAOYSA-N 431.217 4.045 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587844880 CLRDJIQWONYAIF-XTZNXHDOSA-N 445.785 4.302 50 1 IIGF COCc1ccc(-c2cc(C#N)cc([C@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 1772612883 DRGJPMMQBOXCQB-XMMPIXPASA-N 445.548 4.493 50 1 IIGF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)c(Cl)cc12 587078264 MXTPNOJIAISSQV-NSHDSACASA-N 440.887 4.019 50 1 IIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(I)cc1)[C@@H](C2)C3=O 587428385 OHOMYMRQVJXQCR-KBXCAEBGSA-N 440.664 4.182 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(O)ccc2O)N1 587673801 QDQWLDGIBLTHLJ-HUTHGQBESA-N 445.126 4.172 50 1 IIGF O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1c(F)cccc1C(F)(F)F 963132450 BCVOBZGHWMEOBF-QGZVFWFLSA-N 432.211 4.327 50 1 IIGF C[C@H](Oc1ccc(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)C(=O)O 103180549 QCCZQHVPNNVIBT-HXBZRDPDSA-N 448.512 4.125 50 1 IIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4cccc(C)c4)cc3)o2)c(OC)c1 473248275 MSOQBQIWQAJRTN-CVKSISIWSA-N 442.475 4.493 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587412833 CPZUBMLCEJEONE-HTAPYJJXSA-N 439.309 4.227 50 1 IIGF COC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C(C)C)c1C 587417773 QAMPWKXSWXAQER-WAIKUNEKSA-N 431.916 4.363 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@H]2Br)N1 587678468 COXYXIMTSJQTTG-CZEOPBCSSA-N 433.159 4.470 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612221 IXIZIRKHXPNRGJ-SIKLNZKXSA-N 444.892 4.265 50 1 IIGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1cccc3ncccc13)=CCC[C@@]1(C)O[C@@H]21 1911571073 KSQRXEXFMMPQCN-PPWSSPBDSA-N 446.507 4.098 50 1 IIGF O=C(/N=C1\SSC2=NCCN21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 38399029 MBQARJUZHAIDEX-HMAPJEAMSA-N 431.852 4.107 50 1 IIGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1 195206588 YEXYQKWDNLBGGE-OAQYLSRUSA-N 440.349 4.219 50 1 IIGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCC[C@@H]2CCBr 963156240 ZKGLNRFBXRAFNB-SUFBMKPHSA-N 445.379 4.170 50 1 IIGF COc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccccc2)cc1 1857762578 QSTGQSHODLGTGW-JCOAXYOVSA-N 429.501 4.074 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(Br)c1)[C@@H](C2)C3=O 587415162 QGTROSVSHYBADK-KSSFIOAISA-N 438.115 4.496 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587845266 DEXNYTZXDQJTAK-MGNBDDOMSA-N 445.785 4.368 50 1 IIGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@@H](OC(C)=O)[C@H]12 2356405255 MUXFWFVUPRRJJA-HUVFLSCGSA-N 430.497 4.094 50 1 IIGF CCOC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702425 DUHRAEXDXLZHFX-ATMGAIRJSA-N 432.639 4.051 50 1 IIGF CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCCCl)c1C 13820800 DRXBRPWKDUDMAX-MUUNZHRXSA-N 437.974 4.383 50 1 IIGF C#C/C=C/C[C@@H](Cl)[C@H](C[C@H]1O[C@@H](CC)[C@H](Br)C[C@H]1Cl)OC(C)=O 197190316 WLCJKJLAQCETBJ-AVMGMTOHSA-N 426.178 4.434 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1COc3ccccc3O1)CC2=O 587457335 XRRYGENKJADPMU-TZIWHRDSSA-N 433.298 4.284 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2O)N1 587674686 ZGQFEUXRQYHVGW-XYZCENFISA-N 445.126 4.172 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962376156 USHYULYSOQRECW-HSZRJFAPSA-N 428.001 4.263 50 1 IIGF CC1CCN(Cc2ccc(NC(=O)NN=C(c3ccccn3)c3ccccn3)cc2)CC1 1857615107 XMRWGARWFIIWKZ-UHFFFAOYSA-N 428.540 4.283 50 1 IIGF C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc([N+](=O)[O-])cc1 53295293 HAGAYANLQQOWMM-OYKKKHCWSA-N 446.423 4.256 50 1 IIGF CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 653865349 MYMROICWUIACIG-VULFUBBASA-N 434.492 4.444 50 1 IIGF O=C(Oc1ccc2c(c1Br)CCCN2C(=O)C(Cl)Cl)c1ccco1 82226936 FLJRCQFSOBEUNG-UHFFFAOYSA-N 433.085 4.344 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424940 YHYDHPJALMTHLP-LIRRHRJNSA-N 425.225 4.334 50 1 IIGF O=C(c1ccccc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccncc1 653778061 MAZSDRZNIZLJAJ-JFLMPSFJSA-N 429.867 4.442 50 1 IIGF COCc1ccc(-c2cc(C#N)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 1772612881 DRGJPMMQBOXCQB-DEOSSOPVSA-N 445.548 4.493 50 1 IIGF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(Br)c(Br)c1 1857541928 ZGSSFXZRBGGPOB-CNHKJKLMSA-N 432.499 4.335 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2Br 587680305 IJMRKKHKDQAABP-LANCPOTRSA-N 439.122 4.326 50 1 IIGF COc1ccc([C@@]2([C@H](C)Br)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587412404 BURRGMWNZUHFFJ-AMTBQWDPSA-N 433.298 4.139 50 1 IIGF CCc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 653785940 RVPHILLSHMPXJC-UHFFFAOYSA-N 426.494 4.474 50 1 IIGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C 96903501 NDFLJHPVBZAPPR-NYAPKIOYSA-N 440.219 4.218 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@@H]2Br)N1 587678470 COXYXIMTSJQTTG-LGAXPXOHSA-N 433.159 4.470 50 1 IIGF Cc1cc2c(cc1F)[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1Br)NCC2 962370955 FRTZENBNNBFIGS-UNMCSNQZSA-N 447.348 4.281 50 1 IIGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34CCOC[C@H]4Cl)nc(Cl)nc21 963927762 DRUJYAISLOOYTI-IIBYNOLFSA-N 448.354 4.052 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1OC 34894445 ZQNNHAWSCLTIPN-KRWDZBQOSA-N 426.270 4.166 50 1 IIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2CCCCl 36271216 PACSAYNXHRWUOO-WCXIOVBPSA-N 447.744 4.030 50 1 IIGF COc1ccccc1/C=N\NC(=O)Cn1c(CSc2ccccc2)nc2ccccc21 84620028 NGQBJNOHYJVQIH-MYYYXRDXSA-N 430.533 4.488 50 1 IIGF Cc1cc2c(C(=O)NN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C(C)(C)C)cccc2o1 103215899 POIGNFZUCNCLAD-UHFFFAOYSA-N 440.412 4.143 50 1 IIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)c(O)c2[nH]1 587010005 ZALOXIBQWUJUFL-HNNXBMFYSA-N 447.720 4.151 50 1 IIGF COc1ccc2c(c1OC)[C@@]1(C(C#N)=COc3cc(Br)ccc31)N(C)[C@@H](C)C2 962619494 CYGNVIVIRHRGKA-XMHCIUCPSA-N 441.325 4.386 50 1 IIGF CN(c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)S(C)(=O)=O 587532825 PPZKHTMFBWENCB-QFIPXVFZSA-N 433.957 4.061 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CCC(N)=O)cc2)N1 587685247 OUBJAOXBGPCJTP-MPBGBICISA-N 439.756 4.023 50 1 IIGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccco1 103540775 CMQAUORCGZTGMO-FDCFBWIESA-N 442.522 4.373 50 1 IIGF CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C\C(C)(C)OO)C1 238774206 WTBRDXOTECDHCP-JPQDSVBTSA-N 430.541 4.432 50 1 IIGF CN(C)C(=O)c1ccc2c(c1)[C@](C)([C@@H](Br)Cc1ccc(F)cc1F)NCC2 962922774 HMWTUEANFGVUMK-PZJWPPBQSA-N 437.328 4.034 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN3C=O)N1 587683764 HYOLDMQGZNCJGV-ODXCJYRJSA-N 437.740 4.124 50 1 IIGF COc1cc2c(cc1OC)[C@]1(C(=O)[C@]3(C)CC[C@H]1[C@@]3(C)CBr)N(C)[C@@H](C)C2 962619750 GENMREISWPWZGS-MTRXYEOHSA-N 436.390 4.176 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(-c3cncnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772602614 PMBUAVBVEXACLP-OAQYLSRUSA-N 440.429 4.222 50 1 IIGF CC(=O)Oc1ccc(C[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543099 ITUZXHBTIHRXHM-ZJSXRUAMSA-N 438.863 4.499 50 1 IIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CCl)c2c1 587617687 IRNCJIVPQWHKKJ-UHFFFAOYSA-N 444.296 4.363 50 1 IIGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cnc2ccccc2c1 1857610200 ADVPEORYBWKLSC-ZVBGSRNCSA-N 449.102 4.229 50 1 IIGF O=C(CCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328935 WQTWPXPIFXITIL-UPVQGACJSA-N 439.870 4.141 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)CCC[C@H]1C(=O)OCC 587460097 RKPNREVEEADXAD-VHFSOBRXSA-N 425.319 4.175 50 1 IIGF CN1C(=O)CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587541475 BWXCFAFFHWYGRK-DHLKQENFSA-N 449.890 4.397 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 587681729 AGGFWOFDQNUIIV-LZVRBXCZSA-N 425.685 4.452 50 1 IIGF COc1ccc(C2=NN(CCCCCBr)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 40934155 BKWWNLJWEVOUOL-IAGOWNOFSA-N 435.362 4.398 50 1 IIGF Cc1c(-c2ccccc2Cl)noc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Cl 66259113 UCDMCXUYENTIHC-UHFFFAOYSA-N 445.310 4.426 50 1 IIGF CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C/C(C)(C)OO)C1 205957708 WTBRDXOTECDHCP-VJWRZOPTSA-N 430.541 4.432 50 1 IIGF COC(=O)c1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c(F)c1Nc1ccccc1 586909648 ZRZSZNAWLLROAJ-UHFFFAOYSA-N 431.379 4.210 50 1 IIGF N#CC(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962769360 SABJBMCCXWCULG-PXNSSMCTSA-N 432.833 4.039 50 1 IIGF CC(C)Oc1cccc(-n2c(NNC(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 13779111 RVCBDQGLGFTAPC-UHFFFAOYSA-N 435.528 4.132 50 1 IIGF CC(=O)O[C@H]1C[C@@H]([C@@](C)(Br)CCl)O[C@@]1(C)/C(Cl)=C/Br 98082339 JKJDNZFOACWTKF-OULNIPKASA-N 438.971 4.333 50 1 IIGF C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 195371664 MRBZRDGTPZIYOC-NQXJGFPLSA-N 436.545 4.048 50 1 IIGF CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O 238768130 YYLQMEPEKFNFNL-CHHOVJGESA-N 430.608 4.239 50 1 IIGF COC(=O)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587845244 DAPINZYKNFMGSA-XTZNXHDOSA-N 446.769 4.382 50 1 IIGF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC[C@@H]4C=C[C@@H](c5ccccc5)OO4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84671590 JRFQTWCRCSYLPZ-WZMOBFAWSA-N 434.532 4.471 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587684093 KIUFLAAAYSPBHB-GIPWTMENSA-N 437.740 4.490 50 1 IIGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587688586 MIVLRBJBGYZUMG-BFKGZMGPSA-N 443.744 4.222 50 1 IIGF O=C(N/N=C/c1ccc(F)cc1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1 1857757372 LPKRURLLBKIHFQ-YPXUMCKCSA-N 442.857 4.254 50 1 IIGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC(C)=C[C@H](C)CC)CC[C@H](C(=O)O)[C@@]21C 2356653089 AFLWRLGQCCNPSX-TWWXECPLSA-N 428.525 4.218 50 1 IIGF C[C@H](CO)[C@H]1OC(C)(C)O[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356762674 MKPDEFGGEITRIH-ROSOWXQZSA-N 442.672 4.102 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541274 ALMAHVWXHPZDTF-ZJSXRUAMSA-N 437.879 4.124 50 1 IIGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(C(=O)NN)cc2s1 587861178 MALBXXLKCXPKKK-UHFFFAOYSA-N 448.335 4.458 50 1 IIGF COc1cccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1OC 15933867 JPBYUZXHZAXCDW-JFLMPSFJSA-N 435.455 4.249 50 3 IIGF COC(=O)c1ccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145369 HRULFQZHAPPUHJ-PPCHASGVSA-N 431.517 4.080 50 1 IIGF CC(C)(NC(=O)CCl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587008919 RTKFHAHUKWWPTE-UHFFFAOYSA-N 436.737 4.495 50 1 IIGF Cc1c(C(=O)NN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1CC(C)(C)O2 103205419 NDYVGNPCBKEDMQ-UHFFFAOYSA-N 425.485 4.202 50 1 IIGF COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O 146250941 WRJKILCSUXIMOP-UHFFFAOYSA-N 428.444 4.403 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)O2 587371607 HBELYJIHWNFVCH-DEOSSOPVSA-N 437.927 4.479 50 1 IIGF COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@@]12C 254048080 VGARIQOMXRAOII-IJOAQIKJSA-N 435.358 4.170 50 3 IIGF C[C@@H](C[C@@H]1[C@H](O)C(C)(C)C(=O)N1C(=O)C[C@@H](C)C(Cl)Cl)C(Cl)(Cl)Cl 85662472 YPWZUTUEUOEWPU-LOKLDPHHSA-N 441.610 4.337 50 1 IIGF COc1ccc(-c2cc(C#N)cc([C@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 1772636952 MMJQXQBCPRKGOG-HSZRJFAPSA-N 431.521 4.355 50 1 IIGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc3c(c2)OCCO3)c1 38145392 ZNNZRLKSXRRIAG-MPPWSMNASA-N 431.517 4.065 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)CC(=O)O)CC2=O 587450697 HJKGTROHHGAGBL-NQIIRXRSSA-N 433.298 4.444 50 1 IIGF Cc1c(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)ccc2c1CC(C)(C)O2 103204016 UKFRUHIAQFWPDY-UHFFFAOYSA-N 425.485 4.202 50 1 IIGF O=C(N/N=C/c1ccc2c(c1)OC(F)(F)O2)c1cc(-c2ccc(F)cc2F)ccc1O 221337960 QGJLTPYLEIJZPR-NSKAYECMSA-N 432.329 4.423 50 1 IIGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587682157 BNUAIYAASGPFMR-HOGDKLEQSA-N 443.744 4.336 50 1 IIGF COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O 587410997 ASMHFJOZQKXAJF-OBOWZKSISA-N 439.309 4.070 50 1 IIGF Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2Cl 1772579445 UFJJQNQMSPBYPJ-IBGZPJMESA-N 444.938 4.328 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4ccc(F)cc4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44361620 PIVSJHSNHHNFEF-DUFGVIJSSA-N 429.492 4.465 50 1 IIGF COc1ccc2c([C@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc(=O)oc2c1 95563491 KAHRTKLBPZHKNV-OWJWWREXSA-N 440.455 4.010 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 102139717 NXRNHYABFJVBBK-ZHZULCJRSA-N 433.489 4.099 50 1 IIGF Cc1cc(Cl)cc(C(=O)NNCc2ccc(F)cc2)c1NC(=O)C(C)(C)CCl 103211718 PYWIEQXALWZDJA-UHFFFAOYSA-N 426.319 4.426 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857762791 YTEHBRXXCARVEK-KCEHZKJRSA-N 443.528 4.383 50 1 IIGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84653715 HNDLKCHJELJZRT-CVDCTZTESA-N 426.396 4.086 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 587411456 ZYVDNANDNQWOQB-QFIPXVFZSA-N 444.940 4.105 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(O)cc1F)CC2=O 587465059 FVUUGIVPSNFPQI-HXUWFJFHSA-N 439.277 4.454 50 1 IIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(O)c1 587538053 MODKMHHSYJDRBQ-NQIIRXRSSA-N 427.250 4.350 50 1 IIGF COc1ccc(-c2cn([C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@]64OO5)nn2)cc1 102902251 IQFLGGBTHYBPQR-YAHUREORSA-N 441.528 4.334 50 1 IIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1Br 587458182 HHRFUSUCRNGSLZ-OXJNMPFZSA-N 440.334 4.063 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=C[C@H](C)C[C@@H](C)CC)CC[C@H]2C(=O)O 2356388281 YWSUKYNHOWEDJX-NUDMXAFQSA-N 430.541 4.298 50 1 IIGF C[C@@H]1CC[C@H]2[C@H](CCCc3ccc(N(C)C)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43120992 BYCITJJEUPZGNX-NULAWCAMSA-N 429.557 4.464 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl 85635048 QETHRCCHQRWBIJ-ZVBJSPBESA-N 448.943 4.220 50 1 IIGF in-man C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)cc2)N1 587673131 KNCCNZFARDGQQX-BMLIUANNSA-N 429.127 4.467 50 1 IIGF COc1ccnc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587674049 SJEFLWKLDJAFHB-DYZYQPBXSA-N 444.142 4.165 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccnnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772577092 QHOAAVGBFKIJEW-OAQYLSRUSA-N 440.429 4.222 50 1 IIGF CNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NC)cnc34)cccc2c1 1772632150 QNMAPJPZQPPOIL-UHFFFAOYSA-N 434.546 4.302 50 1 IIGF C[C@]12C[C@H](N3CCOCC3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)CCl 2356664257 NZFNABGZEQPYBX-UVLNBHRKSA-N 438.052 4.125 50 1 IIGF CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 13136153 UWCPMGXQZNUBJV-RJGXRXQPSA-N 436.511 4.481 50 1 IIGF CCCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCOCC1 13675551 MBCYTCXZHMTKRJ-FQEVSTJZSA-N 442.947 4.205 50 1 IIGF CC(C)(C)c1cc(/C=N/NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C(C)(C)C)c1O 28821125 XEYZVZBNMMRXSN-BHGWPJFGSA-N 441.484 4.388 50 1 IIGF in-vivo CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414960 PYTTVXUPXCFRSX-JUXOCIIHSA-N 444.325 4.470 50 1 IIGF CC(C)c1nn(C)c2c1[C@](CBr)(c1cccc(Br)c1)NCC2 962917084 ZBVLHPDKIPMOTE-KRWDZBQOSA-N 427.184 4.090 50 1 IIGF COc1cccc([C@]2(CBr)NCCc3cnc4c(OC)cccc4c32)c1F 963054491 HIRFBGQJWSCYDY-NRFANRHFSA-N 431.305 4.175 50 1 IIGF O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)nc1 40380117 KUQXOJYMJDURHU-VULFUBBASA-N 431.883 4.116 50 1 IIGF COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)[C@@H](C2)C3=O 587411000 ASMHFJOZQKXAJF-VMNGBIIPSA-N 439.309 4.070 50 1 IIGF Brc1ccc2ncccc2c1N1C[C@@H](Br)[C@H](Br)C1 299863032 KKJBVPXENGIDIN-GHMZBOCLSA-N 434.957 4.344 50 1 IIGF COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)([C@H](C)Br)[C@@H](C2)C3=O 587416003 ZWZYQTXACHTHCJ-XTNUZHGASA-N 433.298 4.139 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1COc3ccccc3O1)CC2=O 587457324 XRRYGENKJADPMU-CTNGQTDRSA-N 433.298 4.284 50 1 IIGF N#Cc1cnn2c(Nc3ccc(F)c(Cl)c3)cc(CN(CCCl)CCCl)nc12 1772656894 FVFDOODTZGIEFO-UHFFFAOYSA-N 441.725 4.417 50 1 IIGF Nc1ccc(SSCCNC(=O)[C@@H](Cc2cccc(Br)c2)N=O)cc1 169717446 RWSXENRHGAVEJI-MRXNPFEDSA-N 440.388 4.266 50 1 IIGF O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@H](Cl)[C@@H]1Cl 103284642 IBWNRFBJYCBNFW-UONOGXRCSA-N 442.759 4.264 50 1 IIGF C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)Cl)C(Cl)(Cl)Cl 238736164 WPKBEZAKAOZZQJ-LOKLDPHHSA-N 441.610 4.337 50 1 IIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546828 YBVJXGKVUYTFEH-PMAPCBKXSA-N 445.899 4.341 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)[C@@H](C)Cl)(c2ccccc2)N1 587686155 BVTXBEWJJXKRSG-IZDJOXEWSA-N 439.756 4.110 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCO3)N1 587687212 ZDFXLVHTAHNDAE-WLRWDXFRSA-N 426.713 4.376 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCN2)cc(Br)c1OC 1857652724 JGWSBKBXAIVTFD-SFHVURJKSA-N 442.313 4.043 50 1 IIGF C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 14970233 DZWXQPUTYGLGPD-SFHVURJKSA-N 439.390 4.219 50 1 IIGF CS(=O)(=O)c1cc(F)cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c12 96913718 MJRZMARXOJNZFK-GFCCVEGCSA-N 445.903 4.175 50 1 IIGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(C)c1Cl 199653303 QETHRCCHQRWBIJ-XYBAZBIISA-N 448.943 4.220 50 1 IIGF endogenous,in-man CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCC(=O)NN 587865042 SZOBJXPLOXXRIK-UHFFFAOYSA-N 440.466 4.328 50 1 IIGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3ccc([N+](=O)[O-])cc32)n(C)c1 1652653 ZDFHNKMHWNQKTB-IZPAUZPXSA-N 430.892 4.054 50 1 IIGF CC[C@@H](C)[C@H]1[C@@H]2C=C3[C@H]([C@H](C)C[C@H](C)[C@H]3OC(=O)CCC(=O)OC)[C@@]1(C)/C(=C\C=O)O2 238773553 CETRZRNQBVTCKB-IKWYFTSTSA-N 432.557 4.234 50 1 IIGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689795 WIHIUFAGEHBFEG-MTJIALIYSA-N 439.756 4.110 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 587849592 UITJRMKGAUCXSZ-VVVCHXIZSA-N 432.742 4.293 50 1 IIGF COc1ccc(CO[C@@]2(C)CC[C@H]3C[C@@H]2OO[C@@]3(C)CS(=O)(=O)c2ccccc2)cc1 58668697 CARVDRVVWOJGKC-HCUBDLJJSA-N 446.565 4.334 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(C(=O)OC)c1)CC2=O 587457399 YLIQHJQNYHTORQ-OAQYLSRUSA-N 449.297 4.093 50 1 IIGF Cc1nc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587539872 YGUDDNXOVOWPKY-JXFKEZNVSA-N 430.254 4.249 50 1 IIGF CCCCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356527443 ABOHZFYYFSYIOC-KAKDDGLXSA-N 430.541 4.156 50 1 IIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(Br)c1OC 38469686 CUYPVSYYTXGPQH-GOSISDBHSA-N 438.281 4.233 50 1 IIGF C[C@@H](NC(=O)CCl)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880128 RMUSNRUMFSPOTA-CQSZACIVSA-N 437.754 4.120 50 1 IIGF O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587546376 WISWMCZYCLJICW-QPPBQGQZSA-N 435.863 4.373 50 1 IIGF C=C(C)[C@H](CCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1)OO 2356335455 AFCSVFPVLSEQQA-GPXHLONLSA-N 430.541 4.432 50 1 IIGF COc1cccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1O 96937937 TWOGBXFKOOVUMV-RPPGKUMJSA-N 430.386 4.322 50 1 IIGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414963 PYTTVXUPXCFRSX-ZWCUEREDSA-N 444.325 4.470 50 1 IIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1 40913559 ZDMUFSJTENTNDA-NGYBGAFCSA-N 448.498 4.040 50 1 IIGF in-vivo CC1=C(c2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)NNC(=O)C1 586972896 CNIPFHOLQAWZCV-ZDUSSCGKSA-N 425.330 4.365 50 1 IIGF CC[C@H](C)[C@@H]1[C@H]2C=C3[C@H]([C@H](C)C[C@@H](C)[C@H]3OC(=O)CCC(=O)OC)[C@@]1(C)C(=CC=O)O2 2356508122 CETRZRNQBVTCKB-GZKVZNCOSA-N 432.557 4.234 50 1 IIGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84689794 NBGOKASADIFJMN-IAGOWNOFSA-N 435.698 4.219 50 1 IIGF C[C@@](Br)(CBr)Cn1cc(Br)c(=O)c2ccccc21 103266909 DGNLLWCKUZZTME-CYBMUJFWSA-N 437.957 4.313 50 1 IIGF C[C@H](C(=O)N(C)CCSSCCN(C)C)c1cccc(C(=O)c2ccccc2)c1 618010024 OGJOQNDPLMFGRJ-SFHVURJKSA-N 430.639 4.423 50 1 IIGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC 1648691 JCTJPWQWAMFGAX-AWEZNQCLSA-N 443.931 4.243 50 1 IIGF O=C(CNc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)N/N=C/c1ccncc1 34893359 QXRBEAPKMFMRIP-UVHMKAGCSA-N 430.386 4.335 50 1 IIGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 84587302 WXQWUKGLBRCFEX-ZVHZXABRSA-N 445.504 4.387 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccccc2Cl)c1 96284128 JFBQWJVEPHLFPB-NRFANRHFSA-N 442.882 4.000 50 1 IIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)Cl)cc41)[C@@H](C2)C3=O 587416718 DAEPMAWWBCEBBJ-DFBJGRDBSA-N 430.843 4.310 50 1 IIGF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)NN)cc2[nH]1 587088462 WYDOOJCSSXNTLS-CLFYSBASSA-N 441.322 4.197 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)O2 587373692 MYORBAVBMBHEJR-QFBILLFUSA-N 438.705 4.330 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587705015 KKZPEEWJROHUER-YOVFDNBUSA-N 428.651 4.467 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43284817 GWMJXQKGFJSHTF-USXXUOFKSA-N 439.350 4.219 50 1 IIGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587495766 TWCWAILQCOHWDZ-UTKZUKDTSA-N 437.945 4.399 50 1 IIGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C[S@](=O)c2ccccc2)N1 40676851 JAISNYAJIFJKPM-QPHCHLROSA-N 446.450 4.336 50 1 IIGF COC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587682546 CQXYYRVHDWBYLH-AYLIAGHASA-N 443.744 4.336 50 1 IIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C 34802465 CBURXTDMVDBODC-JSMIYBGHSA-N 437.521 4.006 50 1 IIGF C[C@@H](C(=O)N(C)CCSSCCN(C)C)c1cccc(C(=O)c2ccccc2)c1 618010023 OGJOQNDPLMFGRJ-GOSISDBHSA-N 430.639 4.423 50 1 IIGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4cccc(OC(F)(F)F)c43)c12 962638644 NIXMBNHCOCTOHL-QRWLVFNGSA-N 438.833 4.456 50 1 IIGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1Cl 2356580859 CGQNAFNBYGFLTH-XDKXFUCDSA-N 426.178 4.434 50 1 IIGF CC(=O)O/C=C1\CCC/C(C=O)=C\C[C@@H]2C(C(=O)CC=C(C)C)=CO[C@H](OC(C)=O)[C@@H]12 207007120 MUXFWFVUPRRJJA-FWCREMEASA-N 430.497 4.094 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N)cc2)N1 587672859 IPRPTARYRQJQBX-DYZYQPBXSA-N 428.143 4.343 50 1 IIGF Cc1cc2c(cc1C)[C@@]1(C(C=O)=C(N)O2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188193 AFXVCILJLXNTKH-LEAFIULHSA-N 435.527 4.432 50 1 IIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@@H]3CC[C@@H]12 26006133 WNTAWOKCXXOSLF-CHCWYRICSA-N 434.418 4.145 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CCC(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103183654 ZHAYKGUVRVEDFP-AIPCJIFXSA-N 432.513 4.291 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(C(CC)(CC)C(=O)OC)CC2=O 587456476 PDLOEJQFMCWVIO-HXUWFJFHSA-N 427.335 4.423 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2Br 587683277 OJKXSZVXCVXSNZ-CBUPOEEASA-N 439.122 4.326 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1C(=O)CBr 587896536 NZWNVVVLXOKROJ-UHFFFAOYSA-N 445.165 4.343 50 1 IIGF C[C@]1(CC(=O)NCc2cccc(I)c2)CC2(CCCCC2)OO1 49680264 VSTFDSGFNLEVCK-KRWDZBQOSA-N 429.298 4.111 50 1 IIGF C#CC(=O)O[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2C1 299855891 HAPINYRTRCZUBG-YSVGVQOKSA-N 432.636 4.297 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)c1 587544529 OAOICVQAUJNMKX-QPPBQGQZSA-N 447.878 4.377 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)O2 587381407 IKDLFQQELICPBI-LJQANCHMSA-N 436.821 4.276 50 1 IIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OCC)CCC[C@H]1Br 587460099 RKPNREVEEADXAD-ZTQAJYAQSA-N 425.319 4.175 50 1 IIGF COCCCN1CCc2ccc(OC)cc2C1([C@@H](C)Br)[C@@H](C)Br 961327888 VQXXEJGDHNNOQQ-ZIAGYGMSSA-N 449.227 4.352 50 1 IIGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587325985 IZZLSASIIRZTOL-JTHBVZDNSA-N 443.858 4.254 50 1 IIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-n4cnc(C)c4)cc1)[C@@H](C2)C3=O 587414428 VHODCBSRXWQOTH-AVRDEDQJSA-N 439.309 4.227 50 1 IIGF COc1ccc([C@@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1F 962731756 UGYOJFXMLSXSGT-MAUKXSAKSA-N 446.238 4.119 50 1 IIGF N#CC(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769363 SABJBMCCXWCULG-YLJYHZDGSA-N 432.833 4.039 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(N3CCCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772604252 NOKJZHRLDAOFCV-OAQYLSRUSA-N 431.462 4.366 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccncn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1857628334 GQQJPYKQBYSFLI-OAQYLSRUSA-N 440.429 4.222 50 1 IIGF CS(=O)(=O)N1C[C@@H](CCl)c2cc(Br)c(OCc3ccccc3)cc21 27412170 JOUVCQGBSZJGTK-CYBMUJFWSA-N 430.751 4.130 50 1 IIGF Cc1csc(C#C[C@]23C=C(C#N)C(=O)C=C2[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)n1 71318115 KESCZRFBJVJTAF-PNTFMKQHSA-N 427.529 4.224 50 1 IIGF CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@@H]3O2 32296187 WNGMEQXERFPHIP-OCFHUKCCSA-N 428.592 4.365 50 1 IIGF O=C(c1cccnc1Nc1nc2cc(Cl)ccc2s1)N1CCN[C@H](Cl)[C@H]1Cl 103284660 RSRXKXLIPZCCOJ-KBPBESRZSA-N 442.759 4.264 50 1 IIGF CC(C)[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473082029 FJRXAKZQYQIXTM-LJQANCHMSA-N 436.335 4.350 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587325983 IZZLSASIIRZTOL-GGAORHGYSA-N 443.858 4.254 50 1 IIGF N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495092 BSSKMMMHUSDBNQ-DENIHFKCSA-N 439.309 4.108 50 1 IIGF CC(C)OCCOc1n[nH]c2ccc([C@@H]3C(C#N)=C(C(F)F)N=C(C(F)F)[C@@H]3C#N)cc12 169694600 XKLICQWRYRXPHA-CJNGLKHVSA-N 449.408 4.353 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(O)ccc2O)N1 587673804 QDQWLDGIBLTHLJ-XYZCENFISA-N 445.126 4.172 50 1 IIGF CC1(C)c2[nH]c(Br)nc2C=CNC(=O)Cc2c([nH]c3ccccc23)C[C@@H]1Cl 2356836945 LFJOPHVFJZMZAO-INIZCTEOSA-N 447.764 4.424 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 587686667 XCQSHFUSRWBOHB-HXPMCKFVSA-N 425.729 4.197 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C=O)OC=C2OCc2ccccc2)N1 587831210 HIOJWRXPTPIHRK-PEBXRYMYSA-N 444.300 4.489 50 1 IIGF O=C(N/N=C/c1ccco1)c1ccc(Nc2ccccc2C(=O)N/N=C/c2ccco2)cc1 64527726 VDYGUFKBYHRTOA-RYQLWAFASA-N 441.447 4.144 50 1 IIGF CC(=O)C[C@H]1C(=O)C(CO)=CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C 95911274 IWBJGUXNIZBHTO-YYDJBVLTSA-N 448.556 4.333 50 1 IIGF biogenic,in-vitro CCOc1ccc(NC(=S)Nc2ccc(/C(C)=N\NC(=O)c3ccncc3)cc2)cc1 28570790 MRCDPYGKADMZPO-YUMHPJSZSA-N 433.537 4.443 50 1 IIGF CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O 138040654 HKYWSADNTBIHIQ-GUBPHPOBSA-N 426.553 4.402 50 1 IIGF Cc1nn(C)c2nc(NNC(=O)Nc3nc4cc(Cl)nc(Cl)c4[nH]3)cc(C(C)C)c12 1857754542 SSSBXZCHUNWTLJ-UHFFFAOYSA-N 448.318 4.127 50 1 IIGF C#C/C=C/C[C@@H]1O[C@@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1Cl 138070278 CGQNAFNBYGFLTH-SJMQMOBESA-N 426.178 4.434 50 1 IIGF COC(=O)c1cccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689957 XZSBFQPENUYPFR-WLRWDXFRSA-N 426.713 4.391 50 1 IIGF CCOC(=O)[C@]1(CCCCCCCl)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983744 ZHRFCGXRLQVRPO-AUUYWEPGSA-N 438.298 4.165 50 1 IIGF C[C@@H](Oc1cccc(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)c1)C(=O)O 299818048 BHQBSSXHCHYQFM-LNEVKRTPSA-N 448.512 4.125 50 1 IIGF CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1CC1=CC[C@@H](Cl)C=C1)[C@H]([C@H]1C=CC(C#N)=CC1)N1CCC[C@@H]21 299847616 JKVBVDTUNVROKD-KSNBFHMFSA-N 438.015 4.452 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(O)c2)N1 587673584 ONLFFCJRCLXMCI-DYZYQPBXSA-N 429.127 4.467 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N)cc2)N1 587674577 XQKOCYQXWUQCQT-BMLIUANNSA-N 428.143 4.343 50 1 IIGF CN(C)CCSSCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Cl)cc1 618008687 JQUJKAGRXFLVDG-QZTJIDSGSA-N 429.051 4.388 50 1 IIGF C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc(O)c1 19826302 ZNLWPSOZJQVYNF-STZFKDTASA-N 444.607 4.477 50 3 IIGF O=C(O)C[C@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586890898 PLXVLQWEFHLRLV-RXMQYKEDSA-N 425.173 4.361 50 1 IIGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\CBr)[nH]c2c1 586972728 AKRIQOXNTRZRSG-UTCJRWHESA-N 426.723 4.425 50 1 IIGF CC1=C(c2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)NNC(=O)C1 586972894 CNIPFHOLQAWZCV-CYBMUJFWSA-N 425.330 4.365 50 1 IIGF COc1ccc2c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@@H](c3ccccc3)C4)cc(=O)oc2c1 95563492 KAHRTKLBPZHKNV-OYLFLEFRSA-N 440.455 4.010 50 1 IIGF Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326460 LMPIFLWLYXRFTC-KNQAVFIVSA-N 429.831 4.025 50 1 IIGF C[C@H](C(=O)NCCCSSCCN(C)C)c1cccc(C(=O)c2ccccc2)c1 618012662 UZEWABAGSHSKPZ-SFHVURJKSA-N 430.639 4.470 50 1 IIGF CCc1ccc(-c2cc(C#C[C@H](C)N(O)C(=O)CCl)nn2-c2ccc(OC)cc2)cc1 28110306 UYDJSLZWWLNFIO-KRWDZBQOSA-N 437.927 4.307 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 98082109 BCRCQWFUHLSYEB-MRXNPFEDSA-N 430.361 4.257 50 1 IIGF C[C@@H]1CC[C@@H]2[C@](C)(Br)[C@H](Nc3ccccn3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100036564 GWMJXQKGFJSHTF-GJYFDDKQSA-N 439.350 4.219 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CC(=O)O)s2)N1 587849594 UITJRMKGAUCXSZ-XYZCENFISA-N 432.742 4.293 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)s1)=C1/C(=O)N(c2cccc(C)c2)c2ccccc21 58590619 PNQYKUYOSJPXJX-ZHZULCJRSA-N 433.489 4.099 50 1 IIGF COC(=O)c1ccc(CO[C@@H]2O[C@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 169339968 LMZFUTLREPSZGJ-ARCBJKJGSA-N 432.513 4.198 50 1 IIGF CS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534293 YREIBPDKRKXYFQ-OAQYLSRUSA-N 449.366 4.225 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCCl)c(F)c1 587894748 YJCNKCQQHPVAJH-UHFFFAOYSA-N 441.717 4.410 50 1 IIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(C(F)(F)F)N1 963188014 UINDZDMGKKQTAD-MWLCHTKSSA-N 440.565 4.110 50 1 IIGF COc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1Nc1ccnc(C(F)(F)F)c1 96938926 XEOTYKXIKLPAEO-KBKYJPHKSA-N 446.385 4.028 50 1 IIGF COc1cccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c1 254145283 LPZBWCMSXOHBLN-UHFFFAOYSA-N 430.533 4.488 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)C=O)cc2)N1 587687230 ZGKNIUJDCFUYTO-CWTRNNRKSA-N 425.729 4.197 50 1 IIGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34CCOC[C@@H]4Cl)nc(Cl)nc21 963927763 DRUJYAISLOOYTI-KKSFZXQISA-N 448.354 4.052 50 1 IIGF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCC[C@@H]2Cl 1772651277 ZMXMHHBSWXBDPL-IBGZPJMESA-N 443.016 4.205 50 1 IIGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)CO)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@]21C 2356448061 NUVPMECBNLBBBB-IYNRYGRNSA-N 439.036 4.233 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 587846574 ICLYVFRJVUBCBP-XLFHBGCDSA-N 432.742 4.293 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587706253 PTBPVJSROJRPMJ-XWKFFJDASA-N 428.651 4.467 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccccc2Cl)cc1 96284146 CCDBAUDZNHBTLX-NRFANRHFSA-N 442.882 4.000 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CC(=O)O)s2)N1 587849591 UITJRMKGAUCXSZ-HUTHGQBESA-N 432.742 4.293 50 1 IIGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@@H](C)CCCC)CC[C@H]2C(=O)O 2356433771 UIXJDFDDMXCJCT-BQVXNLPKSA-N 430.541 4.442 50 1 IIGF COC(=O)c1cccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587688774 OBNLAYZNNLAZIL-WYRIXSBYSA-N 426.713 4.391 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587844879 CLRDJIQWONYAIF-MLCYQJTMSA-N 445.785 4.302 50 1 IIGF Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 587683959 IPLAQRUTLSOFGA-XCLFUZPHSA-N 449.755 4.494 50 1 IIGF O=C(N/N=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1cc(O)c(O)c(O)c1 653884761 MLWJMZADTOMSIY-KBKYJPHKSA-N 446.381 4.165 50 1 IIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(F)cc4)cc3)o2)c(OC)c1 473248557 OPBOTIWSUDJAIS-VULFUBBASA-N 446.438 4.324 50 1 IIGF CC(=O)Nc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587686686 DGIYNEMXFXFKCY-DGIBIBHMSA-N 441.728 4.269 50 1 IIGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@@](C)(CC=CC(C)(C)OO)[C@@H]1C=COC(=O)C=C(C)C 2356626771 IWBJGUXNIZBHTO-BPYKYCOYSA-N 448.556 4.333 50 1 IIGF O=C1NC(=O)C(c2cn3c4c(cccc24)C[C@H](CCl)C3)=C1c1c[nH]c2cc(F)ccc12 26819245 FAVVMKDACQNELO-GFCCVEGCSA-N 433.870 4.240 50 1 IIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2CCCCl 36271214 PACSAYNXHRWUOO-NCOADZHNSA-N 447.744 4.030 50 1 IIGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 587371491 FXZYFLOXQGLXCV-RUZDIDTESA-N 446.890 4.208 50 1 IIGF COc1ccc2c(c1OC)[C@@H]([C@@H](Br)C(C)C)N(C(=O)c1ccccc1N)CC2 963155550 HWJXYJLFFXPKKZ-PMACEKPBSA-N 447.373 4.445 50 1 IIGF CC1(C)[C@@]23C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O 195483881 WNGMEQXERFPHIP-QLXZCNLWSA-N 428.592 4.365 50 1 IIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(C)cc4)cc3)o2)c(OC)c1 473247763 HODGHMGRUBAHHP-CVKSISIWSA-N 442.475 4.493 50 1 IIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(=O)Cl)ccc41)[C@@H](C2)C3=O 587419802 ZQYZCRMAINBFFN-DFBJGRDBSA-N 430.843 4.310 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3nc(O)oc3c2)N1 587682021 BCGVMEDEKITQGQ-DYBLOJMWSA-N 425.685 4.452 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587845268 DEXNYTZXDQJTAK-MLCYQJTMSA-N 445.785 4.368 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cnc1C(=O)CCl 587881461 MKHAFOBVRTVFSU-UHFFFAOYSA-N 430.118 4.174 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[C@@H]3Oc4cccc(O)c4O3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158716 VXYQFEXWPRANBG-LKGCNGGZSA-N 448.512 4.104 50 1 IIGF CC1(C)[C@@]23C[C@H](Br)[C@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O 195483877 WNGMEQXERFPHIP-NZRXLOQISA-N 428.592 4.365 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3nccs3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169339955 MLZKOJFIFLLJPG-QYNKIFSMSA-N 445.379 4.281 50 1 IIGF Brc1c(N2C[C@@H](Br)[C@H](Br)C2)cnc2ccccc12 299869056 TWTQZXBDTDHIJM-NXEZZACHSA-N 434.957 4.344 50 1 IIGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CBr)[nH]c2c1 586972661 YPUXBDJTZJPUPD-UHFFFAOYSA-N 434.237 4.277 50 1 IIGF O=CN1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543119 IWPIBAWBAUKLFU-XUZZJYLKSA-N 435.863 4.007 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3c(cccc13)C(=O)OC2=O 587888666 LPTKVRZEZPHEAB-UHFFFAOYSA-N 438.266 4.168 50 1 IIGF Cc1cc2c(cc1F)[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1Br)NCC2 962370950 FRTZENBNNBFIGS-RBBKRZOGSA-N 447.348 4.281 50 1 IIGF CC(C)(C)c1ccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1 653914391 SMYIYFVXEARSRX-VULFUBBASA-N 434.492 4.444 50 1 IIGF COc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1 33332681 NPYRKPWGQDDCRN-IMRQLAEWSA-N 447.535 4.183 50 1 IIGF CC(C)CN(NC(=O)C1(c2ccccc2)CCCC1)c1nc(C#N)ncc1Br 58554415 MAOGRWNJUHXQOM-UHFFFAOYSA-N 442.361 4.116 50 1 IIGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@]3(CC[C@@H](O3)[C@H]1Br)C[C@H]2Cl 2356313336 WPEZFVRVOYPLJW-LDXNWASYSA-N 442.575 4.263 50 1 IIGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC(C)=C[C@H](C)CC)CC[C@H](C(=O)O)[C@]21C 2356653090 AFLWRLGQCCNPSX-WIEJPUQOSA-N 428.525 4.218 50 1 IIGF O=C(N/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl 13136393 WEPAXKKVVZDQLR-UCQKPKSFSA-N 426.929 4.064 50 1 IIGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934074 AFKFHAPDBCMRCM-UKAVVXHISA-N 429.812 4.351 50 1 IIGF CC1(C)C[C@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@H]3O1 1622855 GVMCFABUMAZWFR-GJZUVCINSA-N 435.487 4.296 50 1 IIGF COc1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 13108421 FRSZDEKUTBYYIR-QFEZKATASA-N 437.883 4.373 50 1 IIGF CCOC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2Cc1ccccc1 1857774207 ZEHSLXIWVVFECC-JOCHJYFZSA-N 441.409 4.139 50 1 IIGF COC(C)(C)[C@@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 586970467 FGYZWLWSKBDDFA-QMMMGPOBSA-N 441.949 4.344 50 1 IIGF O=C(N/N=C/c1cc(Cl)ccc1O)c1cc(Br)cc(Br)c1 1857540480 URSKPNCGGAMDHW-CNHKJKLMSA-N 432.499 4.335 50 1 IIGF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1[C@H]1CCCN(C(=O)CCl)C1 1857560347 UHGMPZJRDBIRKG-KRWDZBQOSA-N 439.899 4.443 50 1 IIGF O=C(Nc1ccccc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)cc1 1857598395 WNELHBSRIMRZIL-UHFFFAOYSA-N 433.855 4.070 50 1 IIGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911570964 ZUBDSSJCRLZATJ-JOCHJYFZSA-N 438.439 4.392 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nnc(CCl)o2)c1 587882173 NUXPFRXUVPDCPF-UHFFFAOYSA-N 434.710 4.493 50 1 IIGF CC1(C)[C@@]23C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O 169607136 WNGMEQXERFPHIP-MOTZAQPNSA-N 428.592 4.365 50 1 IIGF CC1=C(CCCl)C(=O)N2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2N1 586985489 IORMCGJRPCWBCX-DEOSSOPVSA-N 445.906 4.041 50 1 IIGF N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606284 GVDPOTKGTBXWLO-KNQAVFIVSA-N 434.429 4.372 50 1 IIGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684739 LWMSURJJSUOVGX-LIBAHTEVSA-N 435.765 4.470 50 1 IIGF Cc1c(C(=O)NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)ccc2c1CC(C)(C)O2 103205423 UBVKDPDUIBSXTA-UHFFFAOYSA-N 425.485 4.202 50 1 IIGF O=C(c1cccnc1Nc1nc2c(Cl)cccc2s1)N1CCN[C@@H](Cl)[C@H]1Cl 103284650 IBWNRFBJYCBNFW-KGLIPLIRSA-N 442.759 4.264 50 1 IIGF O=C(O)CCCc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 13824440 FZEHYOZWPOWKSL-QVFONWNESA-N 435.524 4.238 50 1 IIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)OCCO3)CC2=O 587456351 NNPGPMQFTXQVNP-OAQYLSRUSA-N 433.298 4.372 50 1 IIGF Cc1nc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587673492 NFZDDKGFGUGYHW-ZKANADHPSA-N 432.131 4.366 50 1 IIGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)c1 587683961 IPLAQRUTLSOFGA-ZUOKHONESA-N 449.755 4.494 50 1 IIGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)N(C)[C@H](C)C2 962568747 LFYGESSSAAZAAM-ITNZAGEZSA-N 442.987 4.360 50 1 IIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCBr)[C@H]3CC[C@@H]12 26006144 WNTAWOKCXXOSLF-RFGFHXCZSA-N 434.418 4.145 50 1 IIGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237189 WWAHSICWKIDMSH-BJUBFADDSA-N 447.279 4.139 50 1 IIGF CCOC(=O)C1([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587672009 CIVDVIOMCMTEEA-BTDLBPIBSA-N 449.158 4.056 50 1 IIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCO3)N1 587683989 IUPWHPOUKYVNRL-JEOXALJRSA-N 426.713 4.376 50 1 IIGF Cc1ccc2sc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2c1 58580972 DAZIBWIVXKMNIX-UHFFFAOYSA-N 444.358 4.441 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)cc2O)N1 587674685 ZGQFEUXRQYHVGW-XLFHBGCDSA-N 445.126 4.172 50 1 IIGF Nc1cccc(C(=O)NCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1772596756 AYHLUMHSXFOTCF-UHFFFAOYSA-O 439.519 4.383 50 1 IIGF COC(=O)c1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(C2CC2)c1C 587419277 XMJDDQQVMUDOSD-WAIKUNEKSA-N 429.900 4.117 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N)cc2)N1 587672857 IPRPTARYRQJQBX-BMLIUANNSA-N 428.143 4.343 50 1 IIGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 49762735 NWLAIESOUVEMID-UHFFFAOYSA-N 434.452 4.099 50 1 IIGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2cc(F)ccc2O)N1 963175903 CFUINRQQXUTNEV-PXAZEXFGSA-N 438.204 4.285 50 1 IIGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@]3(CC[C@@H](O3)[C@@H]1Br)C[C@H]2Cl 2356313334 WPEZFVRVOYPLJW-KTXYLBHESA-N 442.575 4.263 50 1 IIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]c(C)cc32)cc(Br)c1OC 40822651 MZQFRWCKYCIUPL-SFHVURJKSA-N 440.297 4.474 50 1 IIGF CCOC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702435 DUHRAEXDXLZHFX-FMCKTDMXSA-N 432.639 4.051 50 1 IIGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(-c3cccc(C(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772603929 HKTRJUZTDXUBCK-XMMPIXPASA-N 432.455 4.251 50 1 IIGF O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(O)ccc1Br 33336410 LORAIYRAEUJSOA-QRVIBDJDSA-N 425.282 4.351 50 1 IIGF N#CC(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769361 SABJBMCCXWCULG-XLIONFOSSA-N 432.833 4.039 50 1 IIGF C#CC=CC[C@H](Cl)[C@H](C[C@@H]1O[C@H](CC)[C@H](Br)C[C@H]1Cl)OC(C)=O 2356498434 WLCJKJLAQCETBJ-NEMWNAMBSA-N 426.178 4.434 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299818330 GWMJXQKGFJSHTF-JLOOICRCSA-N 439.350 4.219 50 1 IIGF CCOC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 586971569 UTZKFBBRMQUUEV-LBPRGKRZSA-N 434.128 4.363 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685702 RGZWVBJDRBLMPP-YUNKPMOVSA-N 439.756 4.241 50 1 IIGF COCCCN1CCc2ccc(OC)cc2C1([C@H](C)Br)[C@H](C)Br 961327871 VQXXEJGDHNNOQQ-KBPBESRZSA-N 449.227 4.352 50 1 IIGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)[C@H]1CCCN1C(=O)OC(C)(C)C 963045449 FRCOAIKYNKNXKY-WZONZLPQSA-N 431.964 4.223 50 1 IIGF Cc1ccnc2c1CCN[C@]2(CBr)c1c(F)cc(Br)cc1F 963072556 SWNUAVXDFKPRHY-MRXNPFEDSA-N 432.106 4.215 50 1 IIGF Cc1cccc2c1[C@](CCl)(c1ccn(C)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903813 HQKWBRDTYJIAOH-JPYJTQIMSA-N 432.948 4.452 50 1 IIGF NNC(=O)c1ccccc1Nc1nc(-c2cccs2)nc2ccc(Br)cc12 31910099 LOXZYULBBHJXCI-UHFFFAOYSA-N 440.326 4.468 50 1 IIGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3nccs3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100862124 MLZKOJFIFLLJPG-HUGFDHSFSA-N 445.379 4.281 50 1 IIGF Cc1[nH]nc2c1[C@](c1cc(F)cc(-c3cccc(C(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772603928 HKTRJUZTDXUBCK-DEOSSOPVSA-N 432.455 4.251 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2Br 587680306 IJMRKKHKDQAABP-XDHFEDCHSA-N 439.122 4.326 50 1 IIGF C[C@@]1(CI)CCOO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 43100692 QDIRWKHTZOWACV-SRVCANOKSA-N 430.282 4.174 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587325984 IZZLSASIIRZTOL-GMAHTHKFSA-N 443.858 4.254 50 1 IIGF CCCCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356527446 ABOHZFYYFSYIOC-ZUUNWQIRSA-N 430.541 4.156 50 1 IIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCCl 100761617 PACSAYNXHRWUOO-VQHPVUNQSA-N 447.744 4.030 50 1 IIGF C=C(C)[C@@H](CC[C@@]1(C)CC=C(CO)C(=O)[C@@H](CC(C)=O)[C@@H]1/C=C/OC(=O)C=C(C)C)OO 95919357 UJJUMNMPDZRFHA-YKJDISKGSA-N 448.556 4.333 50 1 IIGF biogenic,in-vitro O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2cc(F)ccc2O)N1 963175912 CFUINRQQXUTNEV-SJCJKPOMSA-N 438.204 4.285 50 1 IIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(C(F)(F)F)N1 963188012 UINDZDMGKKQTAD-GXSJLCMTSA-N 440.565 4.110 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3nc(O)oc3c2)N1 587681731 AGGFWOFDQNUIIV-YYSFKGJASA-N 425.685 4.452 50 1 IIGF COc1ccc2c(c1)[C@H](CCNC(=O)CI)C[C@H](c1ccccc1)C2 40423364 YPOSIXAVJCRBPF-QZTJIDSGSA-N 449.332 4.450 50 1 IIGF COc1cc[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)cc1 95595425 WNFSEIBCHUWDCL-NRFANRHFSA-N 425.493 4.327 50 1 IIGF C[C@@]1(c2cccc3nc(CCl)oc23)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962647678 YFSHOZGADOZSMV-HNAYVOBHSA-N 440.805 4.328 50 1 IIGF C[C@@H](CCCN=C=S)[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 1911578358 SJWIXNFJZNQHNX-GJKVSXDISA-N 435.674 4.467 50 1 IIGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372444 ITRPNBLNUAQWEE-FQEVSTJZSA-N 449.301 4.312 50 1 IIGF O=C1C=CC(=CNNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)C=C1 13122607 HPBKSAULEZJMIW-UHFFFAOYSA-N 434.293 4.411 50 3 IIGF CCOC(=O)[C@H](Cl)[C@]1(C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963854307 NOSZWQFLQWFVFV-QRFQSNJMSA-N 439.936 4.017 50 1 IIGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(Br)cc1 1772590859 XYRFCBUWJWMBDX-INIZCTEOSA-N 425.242 4.002 50 1 IIGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(=O)CC(C)C)ccc1O 2356611948 OUNVTMYSIGQAQF-YADARESESA-N 440.492 4.428 50 1 IIGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](OC(C)=O)[C@H](CBr)[C@H](CC)O1 2356665258 ZRNIGMYDZPOFHS-LGNVQCELSA-N 426.178 4.291 50 1 IIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCCl 27627959 PACSAYNXHRWUOO-YLFCFFPRSA-N 447.744 4.030 50 1 IIGF CS(=O)(=O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531197 JLODCQXRJOVXGR-NRFANRHFSA-N 449.366 4.225 50 1 IIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(O)ccc2O)N1 587673803 QDQWLDGIBLTHLJ-XLFHBGCDSA-N 445.126 4.172 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)N(C)C)cs2)N1 587850544 ZTEIAJODHYAWGC-MGNBDDOMSA-N 445.785 4.368 50 1 IIGF CC1=C[C@H](O)[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 2356818870 DXEYHWFMHUQAKH-UBHGWVTLSA-N 428.592 4.365 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)C2CC2)(C(F)(F)F)N1 587706252 PTBPVJSROJRPMJ-JKNGDPHESA-N 428.651 4.467 50 1 IIGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2cc(F)ccc2O)N1 963175915 CFUINRQQXUTNEV-YVEFUNNKSA-N 438.204 4.285 50 1 IIGF CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492703 GEOISDOUNNJVEU-CVKSISIWSA-N 437.927 4.374 50 1 IIGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587323613 RZZPCCGDWFILIP-CTNGQTDRSA-N 435.289 4.451 50 1 IIGF COc1cccc([C@]2(CBr)NCCc3cc4cccc(OC)c4nc32)c1F 963060254 RYKXWLNIRIPUBF-NRFANRHFSA-N 431.305 4.175 50 1 IIGF CC(C)(Cl)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(N=C=S)[C@@H]3CC[C@](C)(NC=O)[C@H](O)[C@@H]32)O1 2356545185 NZJBVTRZEMHWOO-BNEUJMONSA-N 443.053 4.105 50 1 IIGF CC1(C)C[C@@]23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)[C@@H]3O1 1622852 GVMCFABUMAZWFR-BKMJKUGQSA-N 435.487 4.296 50 1 IIGF C[C@H]1Cc2ccc(F)c(Br)c2C(CBr)(CBr)N1 587673864 QZHVLKPAOMHNPE-ZETCQYMHSA-N 429.953 4.108 50 1 IIGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 38153929 XWEWYPHUCFKDHV-SFHVURJKSA-N 430.302 4.116 50 1 IIGF C=C1C[C@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 195371658 MRBZRDGTPZIYOC-QCZDNPERSA-N 436.545 4.048 50 1 IIGF O=C(O)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613826 PHCNQJQCRIRWFW-GHTZIAJQSA-N 430.865 4.177 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3)N1 587683238 GAEPSXDXLNNNIL-GIPWTMENSA-N 437.740 4.490 50 1 IIGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1F 148926296 YGHZCYLRRXFUPA-RIYZIHGNSA-N 434.475 4.065 50 1 IIGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1 474609146 OJYZXBQYFYCSAI-JXBYFMDFSA-N 433.851 4.008 50 1 IIGF C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934073 AFKFHAPDBCMRCM-ZSXPUABSSA-N 429.812 4.351 50 1 IIGF CC(C)(NC(=O)CCl)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587009436 FRNOJJUTPTURFH-UHFFFAOYSA-N 438.837 4.424 50 1 IIGF CC(=O)NCCc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587502301 DEOJZYMEIRSVGN-XMMPIXPASA-N 429.919 4.483 50 1 IIGF O=C(Oc1cccc(I)c1)c1cc2cc(CCl)ccc2oc1=O 13676414 DFQANNIQMJQPMO-UHFFFAOYSA-N 440.620 4.356 50 1 IIGF Cc1c(F)ccc2c1[C@@](CBr)(c1ccc(S(=O)(=O)C(C)C)cc1)NCC2 962093002 OTAQHWKVZQJGPN-HXUWFJFHSA-N 440.378 4.100 50 1 IIGF COc1cc([C@@H]2C(C=O)=C(Cl)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 72171999 JOSKOAWVQLBTNZ-QGZVFWFLSA-N 434.872 4.033 50 1 IIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)o1 95808606 VIQOFXZCYIZDKJ-FYJGNVAPSA-N 436.306 4.177 50 1 IIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2cccc(C)c2)c2ccccc21 58592670 BTIBEGIXEWJUEQ-JWGURIENSA-N 427.460 4.037 50 1 IIGF CC1(C)C(Br)=C[C@H]2O[C@@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 85637047 YYDCCCDZFWJKIO-FYNNSYDNSA-N 428.592 4.365 50 1 IIGF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCC[C@H]3Cl 206138014 HUXQSDVMBNLXGQ-ZBFHGGJFSA-N 428.876 4.193 50 1 IIGF COc1ccc(CNC(=O)Nc2nc3ccc(C(=O)CBr)cc3s2)cc1 1857588219 HWDOUILIYZQMIZ-UHFFFAOYSA-N 434.315 4.204 50 1 IIGF CCOc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1OCC 95808334 WMAPPPHSFSMQHC-KOEQRZSOSA-N 441.528 4.229 50 1 IIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(C#N)=C/N(C)C)(C(F)(F)F)N1 587707824 XJUJNHXCJDEYNU-IFJBJNFSSA-N 432.259 4.405 50 1 IIGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(=O)oc2c1ccc1ccccc12 1857636051 NBESXPYHKJYPMA-OAQYLSRUSA-N 434.407 4.271 50 1 IIGF Cc1cc(C)nc(NC(=C(C#N)C#N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 103254397 OIZUAPBCMZLULV-UHFFFAOYSA-N 426.446 4.210 50 1 IIGF CS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534292 YREIBPDKRKXYFQ-NRFANRHFSA-N 449.366 4.225 50 1 IIGF NC(=O)c1coc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963818148 RKNSXCNZXJVOKR-DEOSSOPVSA-N 435.911 4.067 50 1 IIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(C)Cc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84688492 KTBSLOJYJAPBHI-NOHWTRSHSA-N 431.573 4.343 50 1 IIGF Cc1cc(/C=C(/C#N)c2nc3c(O)nc(N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057086 UCIPYRYSRGBUMU-GHXNOFRVSA-N 440.294 4.419 50 1 IIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cn(-c4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O 587418604 ACMYIQPAXISADM-MGPUTAFESA-N 449.816 4.176 50 1 IIGF CC[C@H](C)[C@@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C=O)=CC[C@@H]2[C@H]1C=CC=CC=CC(=O)O 2356465130 HKYWSADNTBIHIQ-MASRCTEDSA-N 426.553 4.402 50 1 IIGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/CBr)[nH]c2c1 586972729 AKRIQOXNTRZRSG-ZZXKWVIFSA-N 426.723 4.425 50 1 IIGF N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369476 IVORRYLVFKJZHE-GMAHTHKFSA-N 437.448 4.411 50 1 IIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(C(=O)Br)c1 587875447 UALQMADOCXVEAI-UHFFFAOYSA-N 439.136 4.433 50 1 IIGF Cc1c(O)ccc2c1[C@@](CCCCCCl)(c1cccc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963467603 GAAHYTUEKICIFH-PGRDOPGGSA-N 432.904 4.251 50 1 IIGF O=C(CCl)Nc1nnc2c3ccccc3nc(Sc3ccc(Br)cc3)n12 1911584421 QTFJLYXTIPPLST-UHFFFAOYSA-N 448.733 4.369 50 1 IIGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)CO)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@@]12C 2356448060 NUVPMECBNLBBBB-BQCBIFAWSA-N 439.036 4.233 50 1 IIGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188487 RPQUHHKHOXVWJA-LGMDPLHJSA-N 430.489 4.436 50 1 IIGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682896 DZKSUWKIWMCZII-ODXCJYRJSA-N 439.756 4.241 50 1 IIGF