smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(Cn2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)c2)cc1OC 1772623773 WSRSVFLNSOBTOH-UHFFFAOYSA-N 433.460 4.710 10 1 IJCF COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(OC(C)=O)CC2)cc1OC 72179833 KVSFJVOQWLNOGF-AREMUKBSSA-N 435.520 4.680 10 1 IJCF CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccc(OC)cc3)CC2)o1 53295981 VBSCODBERNHXCI-UHFFFAOYSA-N 448.611 4.605 10 1 IJCF Cc1ccc2nc(Cl)c([C@H]3CC(c4ccc(O)cc4)=NN3C3=NC(=O)CS3)cc2c1 98085538 NQPCZYQNEWDAEN-LJQANCHMSA-N 436.924 4.683 10 1 IJCF CCCCC[C@H](O)C[C@@H](CCc1cc(CNC)c(O)c(OC2CCCC2)c1)OC(C)=O 85627653 FPJQBMWNNHVTJY-JTHBVZDNSA-N 435.605 4.629 10 1 IJCF biogenic,in-vitro N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587112529 HYZFQRWIWTXAOY-KRWDZBQOSA-N 435.405 4.600 10 1 IJCF COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCN)c2c1 28713301 WYJBTGKEINEXNY-UHFFFAOYSA-N 442.991 4.877 10 1 IJCF COc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587679043 PUMGDYLPGLBSJB-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF COc1ccc(N2CCN(CCCCCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 13586554 IFTRKYHKXORNDG-SANMLTNESA-N 435.612 4.571 10 1 IJCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N3)CC2=O 587487294 UZXWHZMIHXNFCM-IOEHVPAISA-N 433.504 4.764 10 1 IJCF COc1ccc(C[C@@]2(c3ccc(O)cc3O)c3c(F)cccc3C[C@H]3CCCN32)cc1OC 963103401 LEASMNXJUHJTKQ-XHCCPWGMSA-N 449.522 4.761 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587277379 VCYBTZKAQWFOQM-PGUXBMHVSA-N 444.264 4.903 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 587833204 MKKZSAHWWPIONY-MCMMXHMISA-N 428.301 4.826 10 1 IJCF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(Br)c(F)c1O 963289239 KEYNNUOCMWBNSD-QGZVFWFLSA-N 429.127 4.808 10 1 IJCF Nc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cn2)cc1 26842135 VGKVVTZRZJGXMQ-UHFFFAOYSA-N 441.516 4.910 10 1 IJCF Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3O)C2=O)cc1 40410724 BGBNZXAJJFZKML-WJDWOHSUSA-N 432.954 4.584 10 1 IJCF CC(C)(C)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962920404 MVJWHCFCISZSDT-GOTSBHOMSA-N 433.504 4.876 10 1 IJCF COc1ccc(/N=N\c2ccc(F)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1 1857580409 OUUBNLFYTCOBBQ-RQZHXJHFSA-N 438.394 4.921 10 1 IJCF Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@@H]2CC[C@@H](N(C)C)[C@H](C)O2)c1O)C3=O 2356716732 WEGMUYMBGYFHLV-ZKYUUJBMSA-N 445.515 4.505 10 1 IJCF O=C(Nc1ccc(CC[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1cc(F)cc(F)c1 1857644874 FWVTVEQWCYRHGR-LGRCGEICSA-N 443.471 4.590 10 1 IJCF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587766935 PBBWYCWEIWBOIJ-ASSNKEHSSA-N 447.348 4.599 10 1 IJCF CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(C24CC5CC(CC(C5)C2)C4)[n+]3C)cc1 5582524 YPNDNUDRHLMJKX-UHFFFAOYSA-N 436.623 4.999 10 1 IJCF CC(C)=CCc1cc(-c2oc3c4c(cc(O)c3c(=O)c2O)O[C@H](C)C4(C)C)cc(O)c1O 13380013 SOQFBCLXNNQJDD-GFCCVEGCSA-N 438.476 4.850 10 1 IJCF biogenic CC(C)(O)CCC[C@@]1(C)CCc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)O1 96923988 CMJDNOOYGNOVCM-DFBJGRDBSA-N 442.508 4.535 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2O)N1 587675854 DGKMCZITULXVAK-HUTHGQBESA-N 429.127 4.854 10 1 IJCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(F)cc4)c4ccccc34)[C@H]21 64447829 CKTFTIVZFKPLTM-DEOSSOPVSA-N 425.463 4.616 10 1 IJCF CC(C)N1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 261109936 HXIHBVYUUJNPJQ-SBUREZEXSA-N 433.577 4.962 10 1 IJCF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2cc(O)c(O)c3c2[C@@H](C4)C(C)(C)O3)O1 2356437738 FNUANQPCXYWIED-CYBMUJFWSA-N 434.444 4.572 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3cccc(C(F)(F)F)c3)nc21 95590931 RFSBHEXPYAGUHY-UHFFFAOYSA-N 435.405 4.647 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 587822242 MIBBBQDPNIWPGC-DMZKTXOQSA-N 428.301 4.826 10 1 IJCF CCN(CC)CCCCCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 28757451 LNRGQWPEOJVTCH-UHFFFAOYSA-N 448.611 4.944 10 1 IJCF COc1cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)cc(O)c1O 85596418 GDRIYSAPVTZOPJ-QTEQDKRBSA-N 430.541 4.614 10 1 IJCF biogenic,in-vitro Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1ccc(O)c(C)c1O 963913325 BHPPUJYCORAWSL-NSYGIPOTSA-N 441.524 4.615 10 1 IJCF CN(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 45318266 SSTRSEGLZNKWAN-LJQANCHMSA-N 437.584 4.872 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587721863 QTXDCTQFSFYBMM-XYZCENFISA-N 434.227 4.990 10 1 IJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 82180204 RFNSJCIUTQYCSN-UHFFFAOYSA-N 442.567 4.660 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2O)N1 587676805 FVXCTUUREGJGFL-XYZCENFISA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587743759 FKBMVJAOFGOWGG-JEOXALJRSA-N 432.297 4.635 10 1 IJCF COc1cccc2cc3c(nc12)[C@@H](c1cc(C)n(-c2ccc4c(c2)OCO4)c1C)NCC3 963052621 FYZFHMJMUQWRIW-AREMUKBSSA-N 427.504 4.615 10 1 IJCF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNCc4ccccc4O)C=C3C)[nH]c2n1 2356286002 GNANSXYTAJFDKZ-PCCBWWKXSA-N 434.584 4.859 10 1 IJCF Cc1cc(CC(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)on1 149929848 MWSIBOGUSHQCQG-IBGZPJMESA-N 445.563 4.796 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(Br)cc2F)N1 587720180 MUWLZNAEIXWTOD-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587744212 RARDHNAKAUFPPT-LAJNKCICSA-N 435.337 4.830 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587837716 KOPTWRQHJWCMIU-KPWVOAKYSA-N 442.284 4.931 10 1 IJCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 28816629 OGBUNPYXZXVBRT-OWTLUSIOSA-N 425.293 4.535 10 1 IJCF CCc1ccc(/C=C2\SC(N[C@@H](CC(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 28816693 MOWVCRAWZYZKPE-CRNMQVKPSA-N 439.320 4.925 10 1 IJCF Cc1ccc2c3c(cc(-c4ccc(O)c(CN5CCOCC5)c4)nc13)-c1ccccc1C2=O 587096695 JOWHKPBJUVOUAL-UHFFFAOYSA-N 436.511 4.959 10 1 IJCF CC(C)(C)Oc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(N)cc1F 587136963 ZRBQPHLDOQKNOK-UHFFFAOYSA-N 429.451 4.904 10 1 IJCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579132 YXFCSDFGPDJWCA-REWPJTCUSA-N 430.420 4.518 10 1 IJCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O 587784973 GLAPYYPIQGFTSU-NSCUHMNNSA-N 429.192 4.934 10 1 IJCF Oc1ccc2c(c1)[C@](c1cc(Cl)ccc1O)(c1ccccc1Br)NCC2 963329688 QVIFCOGTRUKMRP-NRFANRHFSA-N 430.729 4.951 10 1 IJCF COc1cc(O)c([C@@]2(C)c3cccc(Br)c3CCN2C)cc1Br 963288747 FZWYDVWJNDDGBF-GOSISDBHSA-N 441.163 4.677 10 1 IJCF COc1ccc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)cc1 1857607302 PYQFDJSFSJEIAT-OAQYLSRUSA-N 432.520 4.821 10 1 IJCF CN(C)c1nc(/N=N/Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 169687552 ZJZIMTUVBSCRSG-YYADALCUSA-N 430.831 4.666 10 1 IJCF CCCCC[C@@H](O)C[C@H](CCc1cc(CNC)c(O)c(OC2CCCC2)c1)OC(C)=O 2356606154 FPJQBMWNNHVTJY-GGAORHGYSA-N 435.605 4.629 10 1 IJCF CC(C)=CCCC(C)=CCc1cc([C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O 2356336919 SSQQBMVHIQQAQB-DHLKQENFSA-N 426.509 4.781 10 1 IJCF COc1ccccc1/N=N\c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F 1857595240 UVHOEUNRULJPLG-RQZHXJHFSA-N 438.394 4.921 10 1 IJCF CC(=O)OCN(C)/N=N/c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13531079 BGAMOZWTRCVNIL-WCWDXBQESA-N 429.278 4.587 10 1 IJCF COc1ccc(O)c([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c1 29129237 KHGWVOLFCHOGJL-WXFUMESZSA-N 437.467 4.600 10 1 IJCF COc1ccc(C[C@]2(c3ccc(O)cc3O)c3c(F)cccc3C[C@H]3CCCN32)cc1OC 963103397 LEASMNXJUHJTKQ-WINIVTDRSA-N 449.522 4.761 10 1 IJCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2c(O)ccc3cc(Br)ccc23)N1 963230945 REIGUYWRFHNFQJ-DENIHFKCSA-N 449.304 4.544 10 1 IJCF COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3N3CCCC3)o2)cc1OC 1857614556 JUCHBGHBQJVHFJ-UHFFFAOYSA-N 435.402 4.920 10 1 IJCF CN(C)c1ccc(/C=C2\OC(=O)C(c3ccccc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1 96929024 HCHJQULAKUGVCE-QJOMJCCJSA-N 445.540 4.665 10 1 IJCF CC(C)(C)c1cccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962920412 MVJWHCFCISZSDT-XZOQPEGZSA-N 433.504 4.876 10 1 IJCF CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772574453 MIBFGMAAPXKIJG-ZJYZBMPFSA-N 428.579 4.750 10 1 IJCF COCC[C@@H]1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 137069743 BPOHPEHPEDXGDF-PWIZWCRZSA-N 449.330 4.698 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587704387 SRMMLJVJXYZSJA-OVWNDWIMSA-N 442.712 4.590 10 1 IJCF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 13123238 BFAOALDGPJLFLQ-DQRAZIAOSA-N 426.479 4.660 10 1 IJCF CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1 82177904 ANOKCVXWTFCPTN-UHFFFAOYSA-N 447.631 4.647 10 1 IJCF O=[N+]([O-])c1ccc(-c2ccc([CH-]/N=N/c3nc(N4CCCC4)nc(N4CCCC4)n3)o2)cc1 169693284 GOLKHIJMMCUSJO-SLEBQGDGSA-N 447.479 4.534 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2O)N1 587676279 FPMSHLDWBWJUBQ-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587837718 KOPTWRQHJWCMIU-SAHAZLINSA-N 442.284 4.931 10 1 IJCF Ic1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223540 NTQQEKGAGKNNRU-HNNXBMFYSA-N 437.350 4.782 10 1 IJCF CN1C[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297482 AWAYYEOREISRAK-GKIWIXTESA-N 442.390 4.875 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587751772 OTQKYULEGNIMTQ-WVDJIFEKSA-N 431.261 4.979 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587839305 RCJVKTLHXLFION-XFNZEKPQSA-N 442.284 4.931 10 1 IJCF CC(C)=CCc1c2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c1O)C=CC(C)(C)O2 2356711718 SAFIYLNWCCEJBN-UHFFFAOYSA-N 436.460 4.975 10 1 IJCF CCN(CC)CCO[C@@H](c1cc(OC)ccc1OC)c1ccc2n1-c1ccccc1OC2 1662787 LWEQIHCJYLJSBS-SANMLTNESA-N 436.552 4.835 10 1 IJCF CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3F)N2)c1O 2935387 ORAXDGDJIROABU-CJFMBICVSA-N 434.467 4.633 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764300 DFHXHZDAMAABJA-PEBXRYMYSA-N 433.365 4.687 10 1 IJCF CC(C)(O)CCC[C@]1(C)CCc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)O1 96923989 CMJDNOOYGNOVCM-UQBPGWFLSA-N 442.508 4.535 10 1 IJCF CCN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 13587758 STCLFNAVEWVKTF-GDLZYMKVSA-N 438.571 4.917 10 1 IJCF O=C(c1ccc(F)c(C(F)(F)F)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294540 SRXDEZJWOBHNKL-IBGZPJMESA-N 429.373 4.937 10 1 IJCF O=C1CSC(N2N=C(c3ccc(O)cc3)C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95575533 URRWSVKEDRFUCA-GOSISDBHSA-N 440.887 4.513 10 1 IJCF COCC1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1 224294009 SHQWEIBAXHHEPA-UHFFFAOYSA-N 444.641 4.537 10 1 IJCF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 2356440704 MMPODADSKBDMPK-FIRDEBMASA-N 438.542 4.738 10 1 IJCF CCC(=O)Nc1ccc(C)cc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205938969 MABWWJJMTDSHDI-UHFFFAOYSA-N 428.414 4.764 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2O)N1 587675857 DGKMCZITULXVAK-XYZCENFISA-N 429.127 4.854 10 1 IJCF Cc1nocc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149640547 AYTSETBNVRISQE-SFHVURJKSA-N 445.563 4.737 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587272213 PXBKBHJBIVDDNX-WQGACYEGSA-N 426.274 4.764 10 1 IJCF CCCCCCOc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(O)c2c1=O 13822681 LCCJDNOVKBUOHX-UHFFFAOYSA-N 430.453 4.553 10 1 IJCF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1OCC(=O)NC(C)C 587219464 CFGQFWBWBOFAJP-UHFFFAOYSA-N 446.507 4.516 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(CC(=O)N3CCCC[C@@H]3C)c3ccccc13)O2 587392713 CAHPOXOURDEWHK-XDHUDOTRSA-N 445.563 4.948 10 1 IJCF CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694919 INDUFHAMVDIRHN-APBUJDDRSA-N 426.713 4.704 10 1 IJCF C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772624525 BHPGZOIKKQWOIK-MHECFPHRSA-N 447.535 4.612 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2O)N1 587677170 HBEAIGYGPRQJHI-XYZCENFISA-N 429.127 4.854 10 1 IJCF Oc1ccc2ccccc2c1[C@@H](c1ccc(OCCN2CCCC2)cc1)N1CCC(O)CC1 72181123 NFPWJXGMKZJZEM-MUUNZHRXSA-N 446.591 4.566 10 1 IJCF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)Cc1cc[nH]c1 149638890 GNWDDVFLYOPGTQ-FQEVSTJZSA-N 443.591 4.697 10 1 IJCF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(C34CC5CC(CC(C5)C3)C4)ccc1O)NCC2 962933214 SPKPIFUMCFYHFQ-RIJXQDIUSA-N 430.592 4.797 10 1 IJCF COc1cc([C@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccc(C)cc2)ccc1O 40895048 UONGQVAFMQJEGK-HXUWFJFHSA-N 433.533 4.963 10 1 IJCF CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 84689972 OMXJYAJGSHZCFW-PGMHBOJBSA-N 442.606 4.909 10 1 IJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)ccc1C(=O)O 219908819 HEAKARCOZKBVMJ-NRFANRHFSA-N 446.503 4.510 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2O)N1 587682670 UXOCJHXTIIAODT-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587824249 ZCKJJYOHQDCFRZ-AMXDTQDGSA-N 444.300 4.531 10 1 IJCF 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COc1ccc(-c2nc([C@H]3CC(c4ccc(O)cc4)=NN3c3ccccc3)no2)cc1OC 96911224 CWUPUOOPPGUMPC-OAQYLSRUSA-N 442.475 4.815 10 1 IJCF O=S(=O)(Nc1ccccc1)c1ccc(NCc2ccc(Br)cc2O)cc1 103268208 OBLJLMQWUSSTBN-UHFFFAOYSA-N 433.327 4.568 10 1 IJCF COc1ccc(C[C@@]2(c3ccc(O)cc3O)c3ccc(F)cc3C[C@H]3CCCN32)cc1OC 963115998 WNWXJEFRYDBOST-HRFSGMKKSA-N 449.522 4.761 10 1 IJCF COc1c(Cl)c(C)c(Cl)c(O)c1[C@@H]1NC(=O)c2c(O)cc(O)c(CC=C(C)C)c21 40896674 IFONQCDBHMGEFN-GOSISDBHSA-N 438.307 4.769 10 1 IJCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2O)N1 587714922 GMQKRTJMPGKBDP-QZTNRIJFSA-N 433.090 4.819 10 1 IJCF CCN1CCN(c2cc(C)c3cc(NC(=O)C=Cc4cccc(Cl)c4)ccc3n2)CC1 1857620094 MJIPCUCCHJCHRN-UHFFFAOYSA-N 434.971 4.990 10 1 IJCF Cc1ccc2c3c(ccc2c1)C(=O)c1c2c(cc(Cl)c1C3=O)[C@H]1C[C@@](C)(N2)[C@@H](O)[C@H](C)O1 2356512489 VRJIWWHHNNFQNO-CTSOMRIVSA-N 447.918 4.972 10 1 IJCF CO[C@@H]1C=C[C@@](CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)(OC)O1 53313161 OIPPCKROLJKWIL-UQBPGWFLSA-N 429.476 4.870 10 1 IJCF Cc1cc(=O)oc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587837358 GCJNAZFBDMJOIA-WSVYEEACSA-N 432.289 4.506 10 1 IJCF Cc1c(CCOCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 653687087 MBXJCQFFWBVPCX-UHFFFAOYSA-N 437.483 4.663 10 1 IJCF COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2OC)ccc1O 29044613 WKTYBKVZCRIWLI-IBGZPJMESA-N 449.532 4.663 10 1 IJCF C[C@H](NC(=O)Cc1cccnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149972731 PWUBQZQDPHBURW-FQEVSTJZSA-N 441.575 4.894 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2O)N1 587721439 VRSABUJGMZIVED-CQLKUDPESA-N 447.117 4.993 10 1 IJCF COc1ccc(C2=C([Si](C)(C)C)[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 205838688 DACYBNXMAMOOFD-LVXARBLLSA-N 443.575 4.969 10 1 IJCF C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592000 GYIMOXABILQKNI-ZEQKJWHPSA-N 431.488 4.571 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2O)N1 587713358 BYGLKDHNWGJBAT-MLXNANBUSA-N 433.090 4.819 10 1 IJCF CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963578622 GSMRFYVXVLEGQU-FPTDNZKUSA-N 438.490 4.596 10 1 IJCF COc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587679041 PUMGDYLPGLBSJB-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF COc1ccc(N2CCN(C[C@@H](OC(=O)c3cccc(C)c3)c3ccccc3)CC2)cc1 1857755607 NZQAJNDDAANMHG-AREMUKBSSA-N 430.548 4.724 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 587828214 MWBBHFJVGPCNJB-DMZKTXOQSA-N 444.300 4.938 10 1 IJCF Oc1ccc2c(c1)[C@]1(C=C(c3ccc(O)c(O)c3)O2)c2c(F)cccc2C[C@@H]2CCCN21 963098570 GPCORMKTIVFJRB-MRDQGFSESA-N 431.463 4.640 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 1772616275 JQUAMDRECRQAHF-XERREHJYSA-N 448.485 4.715 10 1 IJCF CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653719887 GFYWGBXOJSHRQY-DZZWEGAPSA-N 425.410 4.865 10 1 IJCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NC4CCCCC4)nc32)cc1 40934161 SBKCIDFEPQYFGL-UHFFFAOYSA-N 442.571 4.722 10 1 IJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526281 QNRKLNDVKRJNTH-LDFKNQKKSA-N 429.516 4.984 10 1 IJCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@H](c1ccc(O)c(O)c1)O2 2356629515 IEODVJYQTXSRDV-JREXYNDVSA-N 440.492 4.582 10 1 IJCF COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(OC(C)=O)CC2)cc1OC 72179832 KVSFJVOQWLNOGF-SANMLTNESA-N 435.520 4.680 10 1 IJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc5c(cc4C)OCCO5)c1C)[C@@H](C2)C3=O 587432619 XNVQWNUCPZSOOS-AFMDSPMNSA-N 431.488 4.671 10 1 IJCF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587080923 VKVWYHSQJPUWJQ-SFHVURJKSA-N 440.890 4.716 10 1 IJCF C[C@H](NC(=O)C(F)(F)F)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 223369660 UFOLEYWWBUUHMK-KSFYIVLOSA-N 448.485 4.873 10 1 IJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1 587606667 FBPRPUYDFRXLCS-JYFHCDHNSA-N 426.424 4.709 10 1 IJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2[N+](=O)[O-])cc1 587936768 KXGYVMCHZMGPDN-UHFFFAOYSA-N 445.269 4.841 10 1 IJCF COc1cc([C@@H]2C[C@@H](O)C[C@@H](CCc3ccc(O)c(CCC(C)C)c3)O2)cc(O)c1O 2356774920 GDRIYSAPVTZOPJ-MZKRTTBSSA-N 430.541 4.614 10 1 IJCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S 66166130 QVAGBUNBQXQSAZ-HVVQPJKBSA-N 438.357 4.891 10 1 IJCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2C(=O)c2cccnc2)cc1 113625466 CGNBINVSTGGRLK-UHFFFAOYSA-N 430.476 4.689 10 1 IJCF Cc1cc(=O)oc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587837363 GDZDPEWFRVPCRX-FIKIJFGZSA-N 432.289 4.506 10 1 IJCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579130 YXFCSDFGPDJWCA-NZQKXSOJSA-N 430.420 4.518 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587721861 QTXDCTQFSFYBMM-VVVCHXIZSA-N 434.227 4.990 10 1 IJCF Cc1cc(=O)oc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587837366 GDZDPEWFRVPCRX-WSVYEEACSA-N 432.289 4.506 10 1 IJCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 96934483 NNNRBILAJMIHQJ-UFHPHHKVSA-N 433.463 4.945 10 1 IJCF COc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587784620 BJJBLQHOGZROIX-SNAWJCMRSA-N 433.302 4.950 10 1 IJCF Cc1cc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)c(C)n1-c1ccccc1F 587922932 ZGGUVJNTYJEULI-UHFFFAOYSA-N 427.526 4.671 10 1 IJCF COc1ccc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 13152206 IVISIQXYYQBQCR-DARPEHSRSA-N 431.905 4.532 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 587691651 CLFXTKVTGWHMHJ-ODXCJYRJSA-N 439.756 4.702 10 1 IJCF O=C1c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc2N1CC1CC1 96270557 RNMFRPXZTMBUSM-UHFFFAOYSA-N 447.966 4.971 10 1 IJCF CC(C)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767490 RAGZRBDEPXXDSI-WAIKUNEKSA-N 446.408 4.742 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(CC(=O)N3CCCC[C@H]3C)c3ccccc13)O2 587392604 CAHPOXOURDEWHK-MZNJEOGPSA-N 445.563 4.948 10 1 IJCF COc1cc2c(cc1OC)[C@H](CCCN=[N+]=[N-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795431 FMWRNNNTLXAIHQ-FQEVSTJZSA-N 447.495 4.584 10 1 IJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590650 ZNDBGMMHKUNBER-RAGLMPRZSA-N 443.499 4.790 10 1 IJCF Oc1cc2cc(-c3cc4c(-c5cc6cc(O)c(O)cc6[nH]5)c(O)c(O)cc4[nH]3)[nH]c2cc1O 85598851 LFWNBKANHCZNAS-UHFFFAOYSA-N 443.415 4.698 10 1 IJCF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CN2CCCCC2)c1 587596210 RIHRAEPSIYLPNQ-ZEQKJWHPSA-N 431.488 4.787 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587820705 FATGWKGNJYRSEH-DMZKTXOQSA-N 428.301 4.826 10 1 IJCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(C(=O)NC)cccc23)c1 27524821 AIICYPPNNOFIRK-UHFFFAOYSA-N 444.491 4.552 10 1 IJCF O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28461041 MWJORRZJVOFYKH-LREOWRDNSA-N 428.400 4.661 10 1 IJCF CC(=CCc1c(O)cc2c(c1O)CN(CCc1ccccc1)C2=O)CCC=C(C)C(=O)O 2356642695 RCSZDHOTYXTJOY-UHFFFAOYSA-N 435.520 4.596 10 1 IJCF Oc1ccc2c(CNCCc3ccccc3)c(O)ccc2c1CNCCc1ccccc1 45189804 WYEBAWBAENKUOC-UHFFFAOYSA-N 426.560 4.916 10 1 IJCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4F)c4ccccc34)[C@H]21 64437201 KOFRRNUJDGKRJS-DEOSSOPVSA-N 425.463 4.616 10 1 IJCF C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587524438 QNRKLNDVKRJNTH-GBQHRHBFSA-N 429.516 4.984 10 1 IJCF CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581899 XTXUWSYCENQUDL-CUBQBAPOSA-N 449.462 4.884 10 1 IJCF CCCOCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12 53184594 MCPYFZZYCDSJLZ-UHFFFAOYSA-N 425.960 4.843 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2O)N1 587718839 OLUYPKNLQWJLNR-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF Oc1cc2cc(-c3c(O)c(O)cc4[nH]c(-c5c(O)c(O)cc6[nH]ccc56)cc34)[nH]c2cc1O 85591993 YMEQFHOQIKHCTD-UHFFFAOYSA-N 443.415 4.698 10 1 IJCF in-vitro COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587766938 PBBWYCWEIWBOIJ-ZSEKCTLFSA-N 447.348 4.599 10 1 IJCF O=C1c2ccccc2C(=O)c2c(NCCc3ccccn3)ccc(NCCc3ccccn3)c21 31440405 UZKTVLLMGQHAOJ-UHFFFAOYSA-N 448.526 4.561 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587821776 JYKFNXGTNJQXHE-VERVWZFWSA-N 444.300 4.531 10 1 IJCF O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3cccs3)ccc(O)c12 13879122 NQGZEVQLRBBXIW-UHFFFAOYSA-N 433.894 4.681 10 3 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587694794 AFEHFAMLMJYDIJ-DGIBIBHMSA-N 442.712 4.590 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587753824 JUTNSVSRRZEEKP-YTEVENLXSA-N 445.332 4.648 10 1 IJCF CCOC(=O)c1c(-c2ccc(OC)cc2OC)oc2ccc(O)c(CN3CCCCC3)c12 1772642132 UFJKCAHAHKQUBJ-UHFFFAOYSA-N 439.508 4.985 10 1 IJCF CCCCc1ccc(NC(=O)CCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27554312 SQYHIGYDTLNODF-HOYKHHGWSA-N 428.573 4.651 10 1 IJCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCc3cccc(Cl)c3)cc(O)c12 43065223 BIVPHUOIFUDUSK-UHFFFAOYSA-N 426.808 4.515 10 1 IJCF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2cc(O)c(O)c3c2[C@H](C4)C(C)(C)O3)O1 238744286 FNUANQPCXYWIED-ZDUSSCGKSA-N 434.444 4.572 10 1 IJCF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587201113 FZMIVNGCOZQOFE-UHFFFAOYSA-N 447.535 4.919 10 1 IJCF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 103960206 IQFPBTJGJBLVDN-GHVJWSGMSA-N 432.274 4.951 10 1 IJCF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNCc4ccccc4O)C=C3C)[nH]c2n1 2356286001 GNANSXYTAJFDKZ-HBMCJLEFSA-N 434.584 4.859 10 1 IJCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1C(F)(F)F 28763767 VDAGIILMFNJXLB-UHFFFAOYSA-N 447.501 4.855 10 1 IJCF Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2cc[nH]c(=O)c2c1 40972852 DDZOMVBQBMBGEB-UHFFFAOYSA-N 439.515 4.592 10 1 IJCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587675314 AZOPKNBKAZFKRT-WNWIJWBNSA-N 445.126 4.689 10 1 IJCF COc1cccc2cc3c(nc12)[C@@]1(CC2(CCC(C)CC2)Oc2c1ccc(O)c2O)NCC3 963068087 QCOATSRIWTZLLX-PKDGDKPUSA-N 446.547 4.775 10 1 IJCF CC(=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O 2356509832 CCNNANWAOVGRMQ-NRFANRHFSA-N 442.508 4.646 10 1 IJCF COc1cc2c(cc1OC)[C@H](COc1ccc(N(C)C)cc1)N(C(=O)c1ccccc1)CC2 96906950 HQCNKYFKVGDPBS-DEOSSOPVSA-N 446.547 4.588 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2O)N1 587721442 VRSABUJGMZIVED-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2O)N1 587729488 VRHBLKZIBDFURJ-MLXNANBUSA-N 433.090 4.819 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(Br)c3Cl)[nH]c21 587006296 DEWXZIACQLMWDH-UHFFFAOYSA-N 438.668 4.816 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587834619 SOWROIICDGNVQI-SPSFWMDKSA-N 438.296 4.664 10 1 IJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)ccc1C(=O)O 219908847 HEAKARCOZKBVMJ-OAQYLSRUSA-N 446.503 4.510 10 1 IJCF COC1CC(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)C1 149972481 IZUPEZHDSJHALM-MNPCCFAVSA-N 434.580 4.681 10 1 IJCF CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581905 XTXUWSYCENQUDL-YWEHKCAJSA-N 449.462 4.884 10 1 IJCF CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 84671965 DNQPGRGMXCWQSC-SILNSSARSA-N 427.595 4.598 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587753822 JUTNSVSRRZEEKP-IPQOISQHSA-N 445.332 4.648 10 1 IJCF Oc1ccc(C2=C[C@]3(NCCc4nc5ccccn5c43)c3ccc4ccccc4c3O2)cc1O 962981957 IOCZKFUJGZOYPZ-NDEPHWFRSA-N 447.494 4.722 10 1 IJCF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)C1 587132160 LMIJUQJASOVEFX-INIZCTEOSA-N 430.455 4.907 10 1 IJCF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587108594 DMNPJWAUUSHSHF-UHFFFAOYSA-N 436.345 4.722 10 1 IJCF CCOc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587348342 WITKNYJVCUHMNM-AHWVRZQESA-N 433.479 4.938 10 1 IJCF COc1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc(O)c1O 587785262 JTSYCMGMWHCCNK-NSCUHMNNSA-N 440.091 4.678 10 1 IJCF COc1cccc2cc3c(nc12)[C@H](c1cc(C)n(-c2ccc4c(c2)OCO4)c1C)NCC3 963052625 FYZFHMJMUQWRIW-SANMLTNESA-N 427.504 4.615 10 1 IJCF Cc1c(CC(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(C(F)(F)F)cc1 13643751 ZCWAZNWWNGEPCM-UHFFFAOYSA-N 437.439 4.502 10 1 IJCF COc1ccc(C2=C([Si](C)(C)C)[C@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 205838709 DACYBNXMAMOOFD-HFZDXXHNSA-N 443.575 4.969 10 1 IJCF Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@@H]2CC[C@@H](N(C)C)[C@@H](C)O2)c1O)C3=O 2356716730 WEGMUYMBGYFHLV-MMACOIQUSA-N 445.515 4.505 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(F)c2O)N1 587719074 KLSFSUCYLAXZRY-CQLKUDPESA-N 447.117 4.993 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2O)N1 587729635 WIDDWSIIGJWCAH-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF CC(C)=CCCC(C)=CCc1cc([C@@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(O)c1O 2356336921 SSQQBMVHIQQAQB-RDGATRHJSA-N 426.509 4.781 10 1 IJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cccnc2)cc1 72123117 LMQYOXBWHRKEND-UHFFFAOYSA-N 425.488 4.631 10 1 IJCF COc1ccc2c(c1OC)[C@@H](c1c(Cl)ccc(Br)c1O)N(C)[C@@H](C)C2 962560546 CSUHVVQIZJVVLK-BTDLBPIBSA-N 426.738 4.791 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)c(F)c3)C2)cc1 1772615328 PNDWMODFFAUBOW-UQASEVPWSA-N 448.485 4.715 10 1 IJCF O=C1N=C(O)/C(=C\c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)C(=O)N1 40429837 UZSSBMIQRIPNMF-UHFFFAOYSA-N 441.443 4.599 10 1 IJCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 101697679 BFAOALDGPJLFLQ-QURGRASLSA-N 426.479 4.660 10 1 IJCF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(Br)c(F)c1O 963289238 KEYNNUOCMWBNSD-KRWDZBQOSA-N 429.127 4.808 10 1 IJCF COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccsc4)cc3)CC2)cc1 1857597453 XUMFZHDTWDHUIE-UHFFFAOYSA-N 449.620 4.756 10 1 IJCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784963 GHFJHPFKQPOXCI-NSCUHMNNSA-N 429.192 4.934 10 1 IJCF CN1C[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297485 NOQYBWISJMOPHE-BPSNYSSFSA-N 442.390 4.875 10 1 IJCF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 2356440705 MMPODADSKBDMPK-JCHSIQAQSA-N 438.542 4.738 10 1 IJCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784961 GHFJHPFKQPOXCI-IHWYPQMZSA-N 429.192 4.934 10 1 IJCF CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2cc(-n3ccnc3C)cs2)cc1 84604891 RLXIVIVYOICUCC-UHFFFAOYSA-N 434.521 4.676 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696567 PSSMUFCAUWNBHL-ODXCJYRJSA-N 439.756 4.702 10 1 IJCF CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccccc3F)N2)c1O 2935394 ORAXDGDJIROABU-NLFFAJNJSA-N 434.467 4.633 10 1 IJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(F)c(Br)cc1F 587943584 JQHVIKYCFNMCQM-UHFFFAOYSA-N 426.282 4.897 10 1 IJCF O=C(CCc1ccccc1)N[C@@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O 1125999 BHZGOKGIULSJAS-DEOSSOPVSA-N 426.472 4.508 10 1 IJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(F)cc2nc2c(OC)cccc12 29470341 SJTRXOSZSGTLPH-UHFFFAOYSA-N 440.500 4.693 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587793661 SCPDGGCEBXAISJ-YUNKPMOVSA-N 431.349 4.616 10 1 IJCF CC(=O)OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(NS(C)(=O)=O)c1 26962898 ACBBBWNWACUCRW-UHFFFAOYSA-N 435.505 4.566 10 1 IJCF O=C(Cn1c(-c2ccccn2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 38187467 PRSHRAIFVHEEHV-CYYJNZCTSA-N 441.407 4.504 10 1 IJCF O=C(O)c1cc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)ccc1O 40896064 DQTXDKWFCXXIIL-ZSOIEALJSA-N 425.409 4.515 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587709770 NVZGCYMVHWPVPM-VOJFVSQTSA-N 431.271 4.994 10 1 IJCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(O)c3ncccc13)=C2[Si](C)(C)C 205838650 ACSVNPRWUFWGHN-CJFMBICVSA-N 429.548 4.666 10 1 IJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587675313 AZOPKNBKAZFKRT-RBHXEPJQSA-N 445.126 4.689 10 1 IJCF Cc1cc2c(O)nc(CSC(=S)NCc3ccc(Br)cc3)nc2s1 1857746559 SWNUXPCXJHGDOL-UHFFFAOYSA-N 440.413 4.776 10 1 IJCF O=C(C[C@@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(Cl)cc1 100703197 DSMOVXIWDAJNGB-OWSVEQCWSA-N 427.873 4.637 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2O)N1 587676801 FVXCTUUREGJGFL-HUTHGQBESA-N 429.127 4.854 10 1 IJCF Oc1cc2cc(-c3c(O)c(O)cc4[nH]c(-c5c(O)c(O)cc6cc[nH]c56)cc34)[nH]c2cc1O 85591994 UUZHEFIXDYYLOW-UHFFFAOYSA-N 443.415 4.698 10 1 IJCF in-vitro Cc1cc(=O)oc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587837364 GDZDPEWFRVPCRX-MQJDWESPSA-N 432.289 4.506 10 1 IJCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br 587677336 KLQBLIUMODUXHR-RBHXEPJQSA-N 445.126 4.689 10 1 IJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)c(OC)c1 26848043 OHMCPUYRADRRQR-UHFFFAOYSA-N 437.521 4.910 10 1 IJCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123384 VVPNFBJDMSBEHM-UHFFFAOYSA-N 445.799 4.576 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587839302 RCJVKTLHXLFION-SAHAZLINSA-N 442.284 4.931 10 1 IJCF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587265883 UNRUPPZDULFXGI-LBPRGKRZSA-N 434.412 4.927 10 1 IJCF Cc1ccnc2c1CCN[C@@H]2c1cc(C)n(-c2ccc(I)cc2)c1C 963070237 FYBRAIOZVKGQEU-OAQYLSRUSA-N 443.332 4.637 10 1 IJCF CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1 34642797 FMSMQKUCQBYLNX-LHHJGKSTSA-N 443.463 4.567 10 1 IJCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@H]1CCCO1 82186374 GSSRFSDLXTXOET-OAQYLSRUSA-N 434.588 4.875 10 1 IJCF C[C@@]1(c2cc(F)cc([N+](=O)[O-])c2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817422 MRXFGAWVCIAWLW-VWLOTQADSA-N 447.466 4.909 10 1 IJCF COc1ccc(N2CCN(C[C@H](OC(=O)c3ccc(F)cc3)c3ccccc3)CC2)cc1 1857638768 LKNAPSKBNUSOJG-VWLOTQADSA-N 434.511 4.555 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587692640 BQRZILYSRSYHQF-WNWIJWBNSA-N 429.673 4.653 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 587822245 MIBBBQDPNIWPGC-WHEQGISXSA-N 428.301 4.826 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587275783 GPIQPJNURQKDEY-DFFLPILJSA-N 430.443 4.931 10 1 IJCF C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591997 GYIMOXABILQKNI-OZXSUGGESA-N 431.488 4.571 10 1 IJCF Cc1ccccc1-n1nc(C)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O 13864601 PZNFLADONLIVCH-GHVJWSGMSA-N 438.465 4.716 10 1 IJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccccc3nc2c1 27724426 HUOORMJGTGOSEM-UHFFFAOYSA-N 436.537 4.578 10 1 IJCF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc12 587039421 XQERTELUBFASKZ-CYBMUJFWSA-N 446.536 4.685 10 1 IJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1 587606669 FBPRPUYDFRXLCS-ZEQKJWHPSA-N 426.424 4.709 10 1 IJCF CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699496 SOJOZDIONMBSDL-OVWNDWIMSA-N 426.713 4.704 10 1 IJCF CCN(c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700752 WMQCPTPQYCYUMR-UHFFFAOYSA-N 444.930 4.814 10 1 IJCF O=C(CC(=O)c1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 169719162 CUAQOGAMEXGVAF-GHVJWSGMSA-N 448.660 4.742 10 1 IJCF Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587675687 ATKJOJWNGFOQQP-ABKXIKBNSA-N 429.127 4.988 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2O)N1 587718836 OLUYPKNLQWJLNR-NZFNHWASSA-N 433.090 4.819 10 1 IJCF Cc1cccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3ccccc3O)c3ccccc32)c1 102560282 JGHMPZXUZLUYKP-RQZHXJHFSA-N 428.448 4.924 10 1 IJCF O=C(c1ccc(-c2cc(Cl)c(O)c(Cn3ccnn3)c2)s1)c1c(F)ccc(O)c1F 1772601630 NGABAMBZRFIVJJ-UHFFFAOYSA-N 447.850 4.629 10 1 IJCF CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3C)cc2)c(C)c1 84603497 GEAHBXFZKFZECY-UHFFFAOYSA-N 442.519 4.922 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587709768 NVZGCYMVHWPVPM-BBATYDOGSA-N 431.271 4.994 10 1 IJCF COc1ccc(N2CCN(C[C@@H](OC(=O)c3ccc(F)cc3)c3ccccc3)CC2)cc1 1857638767 LKNAPSKBNUSOJG-RUZDIDTESA-N 434.511 4.555 10 1 IJCF COc1ccc([C@@]2(c3ccccc3O)c3ccsc3CCN2Cc2cccn2C)c(O)c1 962370688 GOHXLNNNJAYWQG-SANMLTNESA-N 446.572 4.857 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2O)N1 587729484 VRHBLKZIBDFURJ-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF COc1ccc2c(c1OC)[C@H](c1c(Cl)ccc(Br)c1O)N(C)[C@@H](C)C2 962560547 CSUHVVQIZJVVLK-DYZYQPBXSA-N 426.738 4.791 10 1 IJCF Cc1ccc(CCNC[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 45484387 WTCCJXDMRSANGS-AREMUKBSSA-N 430.592 4.520 10 1 IJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccncc2)cc1 72124979 RHQHJCKYKWCETA-UHFFFAOYSA-N 425.488 4.631 10 1 IJCF CN1c2ccc(OC(=O)NCc3ccccc3)cc2CN2CCc3c([nH]c4ccccc34)[C@H]21 169341061 HHHJRHGRLBSYRY-SANMLTNESA-N 438.531 4.963 10 1 IJCF COc1ccc(N2CCN(c3cc(O)n(-c4cccc(Cl)c4Cl)c3O)CC2)cc1 169719111 ZIGNLMOGEOYJPJ-UHFFFAOYSA-N 434.323 4.531 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(CNCc4ccco4)cc3)nc21 587232203 ODXKTACXTYVZOC-UHFFFAOYSA-N 433.467 4.888 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(Br)cc2F)N1 587716186 DKIYUNVDIGZNKI-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2O)N1 587682671 UXOCJHXTIIAODT-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 38733001 VCIPMBGBHIKDLX-UHFFFAOYSA-N 440.830 4.786 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696028 OXLJDESCKNYGCR-ODXCJYRJSA-N 439.756 4.702 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(Br)cc2F)N1 587719633 LKPWQWWPJAWQDY-HYORBCNSSA-N 433.090 4.819 10 1 IJCF COc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587786213 RUAHLNXOCGBFQS-IHWYPQMZSA-N 429.192 4.934 10 1 IJCF O=C(C[C@@H](c1ccc(O)c(O)c1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O 653712798 OFPWMALENVLJAS-KRWDZBQOSA-N 441.439 4.796 10 1 IJCF O=C(c1ccc(-c2cccnc2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294284 XMTVESXRQJESQI-FQEVSTJZSA-N 426.501 4.902 10 1 IJCF COc1cc(O)c([C@]2(C)c3cccc(Br)c3CCN2C)cc1Br 963288837 FZWYDVWJNDDGBF-SFHVURJKSA-N 441.163 4.677 10 1 IJCF Cc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1Br 586979674 UGAMBHDFLATGEK-UHFFFAOYSA-N 432.277 4.780 10 1 IJCF NC(=O)N1CCc2sccc2[C@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 962715298 RGLBCOQILVEERJ-XMMPIXPASA-N 430.485 4.647 10 1 IJCF CCOc1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 95557678 DCESOQIBGCABTO-XFFZJAGNSA-N 426.341 4.596 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)O2 587390889 SHJMFBQXRQZKFO-QMHKHESXSA-N 434.492 4.543 10 1 IJCF COc1cccc2cc3c(nc12)[C@@](C)(c1cc(Cl)cc(Br)c1O)NCC3 963043958 AYHDFCZWZKQEIP-HXUWFJFHSA-N 433.733 4.774 10 1 IJCF Cc1ccc(-n2ncc(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1C 13864615 MJMHRPVNOINHCX-WCWDXBQESA-N 438.465 4.716 10 1 IJCF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@@H]1c1ccccc1O 103177318 MBSMDYQGQUHBPC-HSZRJFAPSA-N 439.471 4.940 10 1 IJCF Cc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587676676 IKFDUOALLYEJNB-JDNHERCYSA-N 429.127 4.988 10 1 IJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)N(C)C)cc1C 84603146 JSOBHFYXSBIDEQ-UHFFFAOYSA-N 434.536 4.659 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(Br)cc2F)N1 587716181 DKIYUNVDIGZNKI-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(OC)cc1Br 1857656875 WDQLNRUADQRDCU-OVCLIPMQSA-N 435.705 4.926 10 1 IJCF Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587675691 ATKJOJWNGFOQQP-JDNHERCYSA-N 429.127 4.988 10 1 IJCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccccc1Cl)C2 29132673 LHPHTHFYAVZASZ-UHFFFAOYSA-N 431.772 4.533 10 1 IJCF Oc1ccc2[nH]c(-c3ccc(F)cc3F)nc2c1CN1CCC(O)(c2ccccc2)CC1 45188874 DSPPYUNBUZMQQS-UHFFFAOYSA-N 435.474 4.697 10 1 IJCF CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C 82177914 YLUXCLRQMLEFLH-OAQYLSRUSA-N 447.631 4.646 10 1 IJCF O=[N+]([O-])c1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@](O)(C(F)(F)F)C2)cc1 28568392 SBKUKULJKWRRLF-GOSISDBHSA-N 436.777 4.662 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@H]1CC=C[C@H]21 587277163 PVOVPJIYOYDWLB-ZKTNFTSUSA-N 426.379 4.928 10 1 IJCF COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587673277 LXUGUVKILNAMLR-VPTHRUTESA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2O)N1 587717020 KKQIBHPZSIJOOR-VGDKGRGNSA-N 433.090 4.819 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749829 ZPIAQKWHHRSRGW-MPBGBICISA-N 434.309 4.720 10 1 IJCF COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 617960025 IQFPBTJGJBLVDN-UHFFFAOYSA-N 432.274 4.951 10 1 IJCF COc1ccc(C[C@]2(c3ccc(O)cc3O)c3ccc(F)cc3C[C@H]3CCCN32)cc1OC 963116000 WNWXJEFRYDBOST-NFQMXDRXSA-N 449.522 4.761 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3c(ccc12)O[C@@H](C)C3 26844360 ZKXFVORCKOEIEP-AWEZNQCLSA-N 449.532 4.835 10 1 IJCF CCCc1c(O)ccc2c1O[C@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)CC2=O 587481286 AVPRCSKEXCIDPX-SANMLTNESA-N 446.455 4.756 10 1 IJCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587530446 CDBAMOILOPLFMC-KAYWLYCHSA-N 442.467 4.697 10 1 IJCF O=C1C(=CC2CCCCC2)C(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1 71319193 CJMUMLBLQZSMKK-UHFFFAOYSA-N 430.548 4.769 10 1 IJCF CCOC(=O)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2O)CC1 45285222 YIESPDJECGJBQD-UHFFFAOYSA-N 440.931 4.612 10 1 IJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)ccc1C(=O)O 219896682 CKLFARXNKDBTOE-NRFANRHFSA-N 446.503 4.510 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587830990 GROVJIMPOCLENN-DAOPMYJZSA-N 438.296 4.664 10 1 IJCF CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Cl)SC1=S 95585363 BTFGKCLNGQOSTC-ZYFWLPNBSA-N 449.985 4.535 10 1 IJCF O=C(O)[C@H]1CCCN(CCOC/C=C2\c3ccccc3CCc3ccc(Cl)cc32)C1 100887499 FWCAVAKPQGUQKN-BLXMRYOQSA-N 425.956 4.684 10 1 IJCF Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587822239 MGKYANSOBSJQTG-ZSEKCTLFSA-N 436.321 4.553 10 1 IJCF COc1cccc2cc3c(nc12)[C@](C)(c1cc(Cl)cc(Br)c1O)NCC3 963043955 AYHDFCZWZKQEIP-FQEVSTJZSA-N 433.733 4.774 10 1 IJCF COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CCC[C@@H](C)O 2356438287 ZAVRTFLOAAMFDU-VQIMIIECSA-N 436.545 4.949 10 1 IJCF CO[C@H]1C=C[C@](CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)(OC)O1 53313169 OIPPCKROLJKWIL-CLOONOSVSA-N 429.476 4.870 10 1 IJCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(C34CC5CC(CC(C5)C3)C4)ccc1O)NCC2 962933213 SPKPIFUMCFYHFQ-OEGOZUNASA-N 430.592 4.797 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@H]1CC=C[C@@H]21 587272241 QNGQOOAUEUUSJQ-PEBVRCNWSA-N 426.274 4.764 10 1 IJCF CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1 26851747 GVSZCDATPDUERA-UHFFFAOYSA-N 434.521 4.770 10 1 IJCF Fc1cccc2c1[C@@H](c1ccc(N3CCOCC3)c(Br)c1)N1CCC[C@@H]1C2 963113679 ZGNQVAAEMAKBRL-VGOFRKELSA-N 431.349 4.535 10 1 IJCF O=C(c1ccc(-c2cccnc2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294285 XMTVESXRQJESQI-HXUWFJFHSA-N 426.501 4.902 10 1 IJCF Cc1cc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c(C)n1-c1ccccc1F 587922041 HSYSTAYOQGYYHZ-UHFFFAOYSA-N 427.526 4.671 10 1 IJCF CC(C)(C)OC(=O)NC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCC(O)CC1 587237816 YJEQVENSKYDRAG-UHFFFAOYSA-N 438.528 4.592 10 1 IJCF COc1ccc(N2CCN(C(=S)SCc3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 1911586822 DPRJKNKRFJWUHP-UHFFFAOYSA-N 426.611 4.529 10 1 IJCF CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@H]1Cc1ccc(Br)cc1 103202414 HUXSLGJYSYYFCB-QGZVFWFLSA-N 434.330 4.937 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(F)c2O)N1 587719077 KLSFSUCYLAXZRY-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 587820959 GEXKEFCRGYWWFX-DMZKTXOQSA-N 428.301 4.826 10 1 IJCF CC1=NN(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653717445 HOJUQSMMHPQJHL-SVYXSEEQSA-N 425.410 4.865 10 1 IJCF Nc1ccc(Oc2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 587150304 RUVNXJAPUXNCCG-OAHLLOKOSA-N 434.446 4.732 10 1 IJCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc2ccccc2cc1O 963151226 SLNVFDLCSJRQLC-SBUREZEXSA-N 440.521 4.512 10 1 IJCF O=C(CNC(=O)/C=C/c1ccccc1)/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12 102547341 YDOBTTZJTDEKFH-HMOKRJNVSA-N 438.487 4.835 10 1 IJCF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(C)(F)F 149638209 OJJHMCYGFYIVIC-QGZVFWFLSA-N 428.523 4.782 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587751769 OTQKYULEGNIMTQ-FVINQWEUSA-N 431.261 4.979 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)c(F)c3)C2)cc1 1772615326 PNDWMODFFAUBOW-KLHJMIIUSA-N 448.485 4.715 10 1 IJCF COc1ccc(-c2cnc(-c3cc(O)c(O)c(Br)c3)o2)cc1Br 1857592466 NDLLQBHEFZWCAH-UHFFFAOYSA-N 441.075 4.953 10 1 IJCF CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587694938 INDUFHAMVDIRHN-DGIBIBHMSA-N 426.713 4.704 10 1 IJCF Fc1cccc2c1[C@H](c1ccc(N3CCOCC3)c(Br)c1)N1CCC[C@@H]1C2 963113680 ZGNQVAAEMAKBRL-VGSWGCGISA-N 431.349 4.535 10 1 IJCF COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccc(C)cc2)ccc1O 29044414 UONGQVAFMQJEGK-FQEVSTJZSA-N 433.533 4.963 10 1 IJCF CN(C)c1ccc([C@@H]2CC(c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)=NN2)cc1 45285330 SIKZEWFZRFOITQ-NRFANRHFSA-N 425.488 4.670 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587272673 XPLVXVSUABOOHC-IGCXYCKISA-N 426.274 4.764 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587708314 AWVTUFRWMWDCQE-ADLMAVQZSA-N 431.271 4.994 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587839980 WFJKQQUREXNMSF-SAHAZLINSA-N 442.284 4.931 10 1 IJCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br 587682439 YYXLWABLQWEMSL-WNWIJWBNSA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 587827841 LRMSDFARPPWWMO-MCMMXHMISA-N 444.300 4.938 10 1 IJCF CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 13641294 OBNKFIQHMAHNEE-UHFFFAOYSA-N 441.532 4.524 10 1 IJCF C/C(=C\Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)CCCC(C)(C)O 35879723 LKKMBXHWLZIZLK-LDEBPVJWSA-N 442.508 4.646 10 1 IJCF COCC[C@@H]1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 137069708 BPOHPEHPEDXGDF-DBVUQKKJSA-N 449.330 4.698 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCNc3ccc(Br)cc3)[nH]c21 586994826 DCXFAQDBLWOGOP-UHFFFAOYSA-N 446.304 4.755 10 1 IJCF CN1C[C@@H](c2ccc(Cl)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84670868 VUXOCPYHHYWKAK-NVQXNPDNSA-N 441.914 4.612 10 1 IJCF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(O)c(CN2CCCCCC2)c1 963027714 AJYJKWLVCGWESZ-HHHXNRCGSA-N 431.580 4.734 10 1 IJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(OC)cc2nc2c(C)cccc12 29476387 CPNISSYUUJJPRR-UHFFFAOYSA-N 436.537 4.862 10 1 IJCF COc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587673275 LXUGUVKILNAMLR-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF Cc1ccc(CCNC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 28521576 AGVWRUHDPWHVJF-GDLZYMKVSA-N 442.651 4.757 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2O)N1 587717014 KKQIBHPZSIJOOR-HYORBCNSSA-N 433.090 4.819 10 1 IJCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO[N+](=O)[O-])c4ccccc34)[C@H]21 653819673 QCGJEDBXBXUNCP-DEOSSOPVSA-N 448.523 4.557 10 1 IJCF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(O)c(CN2CCCCCC2)c1 963027721 AJYJKWLVCGWESZ-MHZLTWQESA-N 431.580 4.734 10 1 IJCF COc1ccc2c(c1OC)[C@H](c1c(Cl)ccc(Br)c1O)N(C)[C@H](C)C2 962560541 CSUHVVQIZJVVLK-BMLIUANNSA-N 426.738 4.791 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587742071 JFGTWDGPQNSBMW-XUSGNXJCSA-N 435.337 4.830 10 1 IJCF CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587699492 SOJOZDIONMBSDL-GIGQVBGESA-N 426.713 4.704 10 1 IJCF CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(F)cc3)N2)c1O 2934407 QPMIIEZVJIZOAU-CJFMBICVSA-N 434.467 4.633 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275789 GPIQPJNURQKDEY-HLFMIMNKSA-N 430.443 4.931 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587821324 HPXYTWXKJJLUTM-WHEQGISXSA-N 428.301 4.826 10 1 IJCF CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Cl)SC1=S 95585364 BTFGKCLNGQOSTC-UOZYYELFSA-N 449.985 4.535 10 1 IJCF COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)cc1 587259758 HYIOAWAUHLRCBZ-UHFFFAOYSA-N 428.518 4.786 10 1 IJCF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)CC2=O 587472710 LHRMPZWABDSKGI-RUZDIDTESA-N 449.459 4.882 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2O)N1 587713969 DRAQRAYUXHSQKQ-RBHXEPJQSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587839979 WFJKQQUREXNMSF-RKFFSXRUSA-N 442.284 4.931 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587738646 BUIQPFACQAGRIO-XMHCIUCPSA-N 447.348 4.521 10 1 IJCF CCOP(=O)(CCCCCCCCn1nnc2c1C(=O)c1ccccc1C2=O)OCC 1857651338 GXOXFLNVSWYFLZ-UHFFFAOYSA-N 447.472 4.660 10 1 IJCF CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1 1857540595 SMRSDVILRBXSFD-BYYHNAKLSA-N 428.576 4.876 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2O)N1 587675856 DGKMCZITULXVAK-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(O)c32)N1 587684846 PYFBLFMICCCLFB-NIVTXAMTSA-N 441.138 4.780 10 1 IJCF Cc1c(CCOCCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 653714170 JPYUJUGHYYOMEA-UHFFFAOYSA-N 433.520 4.914 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccc(Cl)cc12 169339481 YZZWPVDJUYSJKZ-UHFFFAOYSA-O 442.948 4.595 10 1 IJCF CCOc1cccc2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)oc12 71280564 RYVYKTUEZLLCFU-HXUWFJFHSA-N 427.460 4.924 10 1 IJCF COc1ccc2c(c1OC)[C@@](c1cnn(C(C)(C)C)c1)(c1ccccc1O)N(C)[C@H](C)C2 962618198 BQGWBUAMIHWGOS-WGDIFIGCSA-N 435.568 4.529 10 1 IJCF O=S(=O)(Nc1cnc(C2CCCC2)s1)c1cc(Br)cc(Cl)c1O 1911576513 LDAQTKBEYCKNFI-UHFFFAOYSA-N 437.768 4.723 10 1 IJCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 253915809 BFAOALDGPJLFLQ-UHFFFAOYSA-N 426.479 4.660 10 1 IJCF aggregator Cc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587681819 XXCXWEOAXPTIII-XXFAHNHDSA-N 429.127 4.988 10 1 IJCF Fc1cccc2c1[C@H](c1ccc(N3CCOCC3)c(Br)c1)N1CCC[C@H]1C2 963113677 ZGNQVAAEMAKBRL-JTSKRJEESA-N 431.349 4.535 10 1 IJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2P(C)(C)=O)o1 1857607564 KGXIZFUNKTYQCO-ZHZULCJRSA-N 448.415 4.699 10 1 IJCF Cc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21 101848336 QTGVMJARVQJAHT-CYYJNZCTSA-N 428.448 4.924 10 1 IJCF Oc1ccc(CCNCCCCCCNCCc2ccc(Cl)c(Cl)c2)cc1O 45228355 BRZYZUKBFDWOCT-UHFFFAOYSA-N 425.400 4.929 10 1 IJCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cn[nH]c4)cc3)C2)c(OC)c1 96172974 NUIGKPCCJQVZQD-GOSISDBHSA-N 449.551 4.851 10 1 IJCF COc1cccc([C@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1 219920278 COVVPHMFIIRCCC-NRFANRHFSA-N 432.520 4.821 10 1 IJCF COc1ccc(N2CCN(C[C@@H](OC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 1857763023 TWXKJQQRNVQVLU-AREMUKBSSA-N 430.548 4.724 10 1 IJCF Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(O)cc4)=NN3C3=NC(=O)CS3)cc2c1 98085537 NQPCZYQNEWDAEN-IBGZPJMESA-N 436.924 4.683 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587738637 BUIQPFACQAGRIO-DMZKTXOQSA-N 447.348 4.521 10 1 IJCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc(Br)cc(Cl)c1O 963642663 ZCNFADNRTLDWBJ-APBUJDDRSA-N 426.738 4.623 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2O)N1 587713968 DRAQRAYUXHSQKQ-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF Cc1ccc(-n2nc(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1 13864603 AIJOWQBRUCOOQZ-GHVJWSGMSA-N 438.465 4.716 10 1 IJCF CC(=CCc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O)CCCC(C)(C)O 2356337019 QCZYVJCMDOSNRL-UHFFFAOYSA-N 428.525 4.755 10 1 IJCF CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587275273 AZMCQDLFQUZDMK-SEPYTNNBSA-N 432.480 4.712 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587824255 ZCKJJYOHQDCFRZ-YTEVENLXSA-N 444.300 4.531 10 1 IJCF C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591992 GYIMOXABILQKNI-BVAGGSTKSA-N 431.488 4.571 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587704384 SRMMLJVJXYZSJA-DGIBIBHMSA-N 442.712 4.590 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587752829 GQIJMUXPYMNYFI-YTEVENLXSA-N 445.332 4.648 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 587822246 MIBBBQDPNIWPGC-XMHCIUCPSA-N 428.301 4.826 10 1 IJCF CCCCc1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297501 WBZPYCLRJXOQAF-HQCZVFHSSA-N 429.608 4.911 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766951 PIQACFYOZCIYOM-FPTDNZKUSA-N 432.381 4.958 10 1 IJCF Oc1c(CN2CCCC2)cc(Nc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 27898618 LSEQQJKCKYXGPR-UHFFFAOYSA-N 437.975 4.924 10 1 IJCF O=C1/C(=C/c2ccccn2)SC(=S)N1CCNc1ccnc2cc(Cl)ccc12 95586866 ILCIMJXSHJUNBS-PDGQHHTCSA-N 426.954 4.597 10 1 IJCF O=C1CSC(N2N=C(c3ccccc3O)C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95571964 SIGPUGLHLRCUEL-QGZVFWFLSA-N 440.887 4.513 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2O)N1 587721441 VRSABUJGMZIVED-RBHXEPJQSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587837719 KOPTWRQHJWCMIU-XFNZEKPQSA-N 442.284 4.931 10 1 IJCF CCOC(=O)c1cc2c(CN(C)C)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 40897393 LRVXVJKTPDDJDB-UHFFFAOYSA-N 444.528 4.619 10 1 IJCF COc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587786217 RUAHLNXOCGBFQS-NSCUHMNNSA-N 429.192 4.934 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(F)c2O)N1 587715330 CGCXYTJFJOEPEI-RBHXEPJQSA-N 447.117 4.993 10 1 IJCF CCOC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587430398 HMHOBYMIMHFJPC-PXDATVDWSA-N 431.488 4.768 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834764 SQCWSEHUPFHFDK-MQJDWESPSA-N 436.321 4.641 10 1 IJCF COc1cc(/C=C/c2cc3oc(-c4ccc(O)c(O)c4)c(C(C)=O)c3c(=O)o2)ccc1O 14555393 LWDOBNFZTXHPQD-ZZXKWVIFSA-N 434.400 4.551 10 1 IJCF COc1ccc2c(c1OC)[C@](c1cnn(C(C)(C)C)c1)(c1ccccc1O)N(C)[C@H](C)C2 962618194 BQGWBUAMIHWGOS-QUGAMOGWSA-N 435.568 4.529 10 1 IJCF CCCCCc1cc(CC[C@@H]2C[C@@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356556710 LMFOOICIYWILJW-VIZSFHNOSA-N 430.541 4.759 10 1 IJCF C[C@H]1Cc2c(Cl)c(O)c(O)c(Cl)c2CN1C(=S)NCCc1ccc(Cl)cc1 29123283 HFEBHXZRYMCTPR-JTQLQIEISA-N 445.799 4.922 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587272671 XPLVXVSUABOOHC-AHIWAGSCSA-N 426.274 4.764 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587708315 AWVTUFRWMWDCQE-BBATYDOGSA-N 431.271 4.994 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587752826 GQIJMUXPYMNYFI-AMXDTQDGSA-N 445.332 4.648 10 1 IJCF COc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc(O)c1O 587785839 OQVFKPFWIWSJNX-GORDUTHDSA-N 440.091 4.678 10 1 IJCF CCn1c(=O)n(CC)c2cc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)ccc21 14958520 VONRMFCPOLZVEU-UHFFFAOYSA-N 429.568 4.675 10 1 IJCF O=C(CCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Cl)cn1 587081054 KPAKTTNOXWXJDZ-UHFFFAOYSA-N 429.863 4.592 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 1772616274 JQUAMDRECRQAHF-KLHJMIIUSA-N 448.485 4.715 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(F)c2O)N1 587719083 KLSFSUCYLAXZRY-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)cc1 587936404 CSSAEVMBXVCRMR-UHFFFAOYSA-N 442.471 4.930 10 1 IJCF COc1ccc2c(c1OC)[C@H](c1c(O)ccc(Cl)c1Br)N(C)[C@@H](C)C2 962568078 KVEVRKARFRGXEF-XTZNXHDOSA-N 426.738 4.791 10 1 IJCF COc1cc(Br)cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1O 963003920 DYFUDYSOTABNBR-IBGZPJMESA-N 431.355 4.768 10 1 IJCF COc1cccc2cc3c(nc12)[C@@](CC(=O)c1ccco1)(c1cc(C)ccc1O)NCC3 963048096 RXFLPFDJMOSVKW-AREMUKBSSA-N 428.488 4.513 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587747907 SSIXWIMSGYOBCT-JEOXALJRSA-N 432.297 4.635 10 1 IJCF O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 253995143 RNTDMIZPYVEWAN-UHFFFAOYSA-N 444.469 4.799 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587698342 PVJUTWHPADLZDM-CQLKUDPESA-N 429.673 4.653 10 1 IJCF Cc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587676677 IKFDUOALLYEJNB-XXFAHNHDSA-N 429.127 4.988 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587743761 FKBMVJAOFGOWGG-NSPYISDASA-N 432.297 4.635 10 1 IJCF Cc1cc2c(cc1F)[C@@H](c1cnc3n1CCc1ccccc1C3=C1CCN(C)CC1)NCC2 962296436 GRHROKOSBVMTRX-MHZLTWQESA-N 442.582 4.649 10 1 IJCF CC(=O)N1c2ccccc2[C@@H]2[C@@H](C[C@@H](N=[N+]=[N-])[C@@H]2O)[C@H]1c1cccc(Br)c1 1857759062 MXTHZGYOBHBYQV-BDUQCRIQSA-N 427.302 4.700 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@@H]1CC=C[C@H]21 587277161 PVOVPJIYOYDWLB-CRTZDJKQSA-N 426.379 4.928 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587824253 ZCKJJYOHQDCFRZ-VERVWZFWSA-N 444.300 4.531 10 1 IJCF COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587684143 YGKSPLWTJHUNDN-VPTHRUTESA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587743764 FKBMVJAOFGOWGG-WLRWDXFRSA-N 432.297 4.635 10 1 IJCF Cc1c([C@@H](O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 13762084 BSQJYQPWHDYDFX-LJQANCHMSA-N 427.419 4.591 10 1 IJCF CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587275272 AZMCQDLFQUZDMK-SAHWJRBASA-N 432.480 4.712 10 1 IJCF O=c1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O 35242371 XHVYOYZRLCYVPJ-UHFFFAOYSA-N 438.711 4.948 10 1 IJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc3c2C(=O)CC3)o1 1857573155 WHYQTFFTGCKZHP-MOSHPQCFSA-N 426.428 4.580 10 1 IJCF CC(C)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587764889 HDZORZXMLDVXNO-MWTRTKDXSA-N 446.408 4.742 10 1 IJCF COc1ccc2c(c1)C(=O)c1c(NCCc3ccc(O)cc3)c(OC)cc3ccnc-2c13 14824849 MFZIOXKFMPCZNK-UHFFFAOYSA-N 426.472 4.824 10 1 IJCF biogenic,in-vitro C/C(=C\C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1)c1ccc(C(F)(F)F)nc1 43202581 QSHVXNLBJQKOJH-RMKNXTFCSA-N 447.240 4.807 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(F)c2O)N1 587720533 NJAKVIHDXOBFKO-NZFNHWASSA-N 433.090 4.819 10 1 IJCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2[C@H](C(=O)O)c1ccccc1 13732415 LGPFRUPJEGCECD-VWLOTQADSA-N 440.547 4.847 10 1 IJCF Cc1c(Cl)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] 587693232 MQVLUNUVZMLECC-NTCNTBNZSA-N 443.700 4.962 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587738641 BUIQPFACQAGRIO-MCMMXHMISA-N 447.348 4.521 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC(F)(F)C4)cc3)C2)cc1 1772608124 LDAISFSZRQXFRD-BXKMTCNYSA-N 444.522 4.966 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 587691649 CLFXTKVTGWHMHJ-FKIZINRSSA-N 439.756 4.702 10 1 IJCF CCN1CCN(c2cc(C)c3cc(NC(=O)C=Cc4ccccc4Cl)ccc3n2)CC1 1857620086 JTPVKCHYAFRZLA-UHFFFAOYSA-N 434.971 4.990 10 1 IJCF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2Cl)C(=O)c2ccccc2C1=O 1663325 QBEJZMUIKAXLBG-UHFFFAOYSA-N 445.858 4.611 10 1 IJCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 13598436 SBXQVEJEKABLDN-FCQUAONHSA-N 440.506 4.968 10 1 IJCF Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1 8623921 OAZJGEXDMSTURW-NHCUHLMSSA-N 431.540 4.665 10 1 IJCF biogenic CCCCC[C@H](O)C[C@H](CCc1cc(CNC)c(O)c(OC2CCCC2)c1)OC(C)=O 2356606155 FPJQBMWNNHVTJY-GMAHTHKFSA-N 435.605 4.629 10 1 IJCF CNC(=O)c1cccc2c(Nc3ccc(NC(=O)OC)cc3NC)c3ccccc3nc12 29346184 JJBLKLYVKZGFBM-UHFFFAOYSA-N 429.480 4.711 10 1 IJCF COc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1 26568726 OWRSWDTWKGARSX-UHFFFAOYSA-N 442.563 4.830 10 1 IJCF COc1ccc(N2C(=O)/C(=C(/C)c3ccc(O)c(Br)c3)SC2=S)cc1 84634113 BWHYJZIWGADIGP-MHWRWJLKSA-N 436.352 4.959 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587272423 SDSXPFAHARWNTN-JKDFXYPNSA-N 426.274 4.764 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749467 YFUZONLMQHVQAJ-ODXCJYRJSA-N 434.309 4.720 10 1 IJCF Cc1ccc2c3c(ccc2c1)C(=O)c1c2c(cc(Cl)c1C3=O)[C@H]1C[C@@](C)(N2)[C@H](O)[C@@H](C)O1 238776246 VRJIWWHHNNFQNO-NAGYHRMWSA-N 447.918 4.972 10 1 IJCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587530449 CDBAMOILOPLFMC-RRPNLBNLSA-N 442.467 4.697 10 1 IJCF CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587694941 INDUFHAMVDIRHN-GIGQVBGESA-N 426.713 4.704 10 1 IJCF COc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(O)c(OC)c2)cc1 40395327 ZFOQLSACIVWGHD-HXUWFJFHSA-N 449.532 4.663 10 1 IJCF Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O 95582573 CUFUFHVWWSTAGG-HEUOVEHFSA-N 449.985 4.535 10 1 IJCF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(O)c1O 2356336920 SSQQBMVHIQQAQB-RCZVLFRGSA-N 426.509 4.781 10 1 IJCF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586915176 BRSZPRREXFADCE-UZTOHYMASA-N 436.467 4.555 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587704382 SRMMLJVJXYZSJA-APBUJDDRSA-N 442.712 4.590 10 1 IJCF Cc1c(CCOCCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 653689036 RFLXJKXWTMFVPL-UHFFFAOYSA-N 433.520 4.914 10 1 IJCF CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772574452 MIBFGMAAPXKIJG-UZNZLNSGSA-N 428.579 4.750 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(F)c2O)N1 587720535 NJAKVIHDXOBFKO-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF CCC[S@@](=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 1857612416 DNBQXSBMDAHGHH-MUUNZHRXSA-N 429.607 4.557 10 1 IJCF COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587678624 KSRNIZLLGQLADP-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF CC(C)[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OC(C)(C)C 587198078 SMHQDBILGJXADK-HXUWFJFHSA-N 433.508 4.902 10 1 IJCF CC(C)=CCc1c(O)c(O)cc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(C)(C)C=C4)c1O 13373145 PLAGFMDVHDUWRB-UHFFFAOYSA-N 436.460 4.975 10 1 IJCF biogenic O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc(C(F)(F)F)cc1 28764908 NGCIWGKUEGTVPX-UHFFFAOYSA-N 447.501 4.855 10 1 IJCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2 2356629514 IEODVJYQTXSRDV-DDNQUFIDSA-N 440.492 4.582 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@@H]1CC=C[C@@H]21 587273053 ZWYZEZHXXRRLLO-FMTVUPSXSA-N 426.274 4.764 10 1 IJCF C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149978527 OPJHXKXWLDXHBQ-AFMDSPMNSA-N 434.580 4.826 10 1 IJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])[nH]1 1857566203 NRJQSTDTLZMQFA-UNOMPAQXSA-N 444.447 4.711 10 1 IJCF Ic1ccc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223544 NTQQEKGAGKNNRU-OAHLLOKOSA-N 437.350 4.782 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696027 OXLJDESCKNYGCR-MPBGBICISA-N 439.756 4.702 10 1 IJCF O=C(O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O 169348342 QANMHVCREHLFPI-UHFFFAOYSA-N 445.543 4.738 10 1 IJCF CCOc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587348346 WITKNYJVCUHMNM-AZGAKELHSA-N 433.479 4.938 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587789874 GEBUIBUJTXBKLJ-FKIZINRSSA-N 431.349 4.616 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587830991 GROVJIMPOCLENN-MYODQAERSA-N 438.296 4.664 10 1 IJCF O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccccc1C(=O)O 1236310 RRXADTDDNRAUOG-GHRIWEEISA-N 426.519 4.641 10 1 IJCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 96934481 NNNRBILAJMIHQJ-RBJSKKJNSA-N 433.463 4.945 10 1 IJCF CCCCC[C@H](CC(=O)C[C@@H](O)CCc1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 2356367437 CUKAXRFUUWCENR-QUCCMNQESA-N 430.541 4.819 10 1 IJCF Nc1ccc(Oc2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 587150302 RUVNXJAPUXNCCG-HNNXBMFYSA-N 434.446 4.732 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 587822244 MIBBBQDPNIWPGC-MCMMXHMISA-N 428.301 4.826 10 1 IJCF O=C(O)c1cccc(/C=C2\SC(=S)N(c3ccc(F)c(C(F)(F)F)c3)C2=O)c1 40860720 IYAXZKPPFWYVQK-AUWJEWJLSA-N 427.400 4.949 10 1 IJCF O=C(CNCc1ccccc1)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40917827 BDBGRVUQOOZVBJ-QHCPKHFHSA-N 449.913 4.728 10 1 IJCF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2Cc1ccccc1C(F)(F)F 299831406 PPABIJQDPPUKGX-UHFFFAOYSA-N 433.385 4.844 10 1 IJCF O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O 299867652 QMKKGZORDAHOMB-FQEVSTJZSA-N 432.351 4.863 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587837443 HAYYUETUVAZEKD-KPWVOAKYSA-N 442.284 4.931 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cc3)C2)cc1 209119452 PNHDBMZFAYPERV-BTCOZLQPSA-N 430.495 4.575 10 1 IJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526279 QNRKLNDVKRJNTH-IACMHESWSA-N 429.516 4.984 10 1 IJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccc[nH]2)cc1 113625828 SOWVRCFNBHHROL-UHFFFAOYSA-N 437.908 4.762 10 1 IJCF COc1ccc(N2CCN(C[C@@H](OC(=O)c3ccccc3F)c3ccccc3)CC2)cc1 1857647872 HJDGYPZBKMSMMF-RUZDIDTESA-N 434.511 4.555 10 1 IJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c1C)[C@@H](C2)C3=O 587434621 WZFIXUCNHYTFBC-UUOWRZLLSA-N 434.448 4.508 10 1 IJCF COc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784779 DHVMHHJJVMRVKF-IHWYPQMZSA-N 445.191 4.814 10 1 IJCF Oc1ccc(-c2ccc(-c3cc(O)c(O)c(I)c3)s2)cc1O 142478029 RGFVDLSNFNHUBU-UHFFFAOYSA-N 426.231 4.509 10 1 IJCF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccccc3nc12 27732175 RKUBDCCTOSDWKU-UHFFFAOYSA-N 436.537 4.578 10 1 IJCF COc1cc(C(=O)Nc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)cc(OC)c1OC 40875986 GOTJNCSFLYEHQJ-UHFFFAOYSA-N 447.491 4.839 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587819952 CERVYTGHVGBKDJ-AMXDTQDGSA-N 444.300 4.531 10 1 IJCF O=C(CCCc1ccc(C(F)(F)F)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58583061 ZOIDKKANKXRVIC-UHFFFAOYSA-N 449.256 4.726 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2cc(Cl)ccc12 26847482 QARASDYLZFENIJ-UHFFFAOYSA-O 442.948 4.595 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587820709 FATGWKGNJYRSEH-MCMMXHMISA-N 428.301 4.826 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2O)N1 587713970 DRAQRAYUXHSQKQ-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF COc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587682496 ZJRLIOQNXDKFMC-ZKANADHPSA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587821772 JYKFNXGTNJQXHE-AMXDTQDGSA-N 444.300 4.531 10 1 IJCF COc1cc(OC)c(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCc1ccc(O)cc1O 84615336 WDLDXQVTSRCDMN-UHFFFAOYSA-N 437.536 4.513 10 1 IJCF C[C@@H]1CCC[C@H](CO[C@@H]2CCC[C@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 66157554 RPBWERXPOMPCDJ-VJRMETJVSA-O 431.578 4.605 10 1 IJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)CCC3)CC2 587579990 AXIOARYOZBTWBU-XMMPIXPASA-N 427.500 4.882 10 1 IJCF CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653719888 GFYWGBXOJSHRQY-VTTDFXIBSA-N 425.410 4.865 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2O)N1 587714920 GMQKRTJMPGKBDP-GYKQLYQFSA-N 433.090 4.819 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587752827 GQIJMUXPYMNYFI-IPQOISQHSA-N 445.332 4.648 10 1 IJCF COc1ccccc1-n1c(O)c2c(c1O)[C@H](c1ccc(N(C)C)cc1)N(c1ccccc1)O2 169688517 PGLDXXJAYLCJRZ-QHCPKHFHSA-N 443.503 4.867 10 1 IJCF COc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587784618 BJJBLQHOGZROIX-PLNGDYQASA-N 433.302 4.950 10 1 IJCF COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 2934392 BNDCGTJBCUFNCG-NTKDMRAZSA-N 436.895 4.757 10 1 IJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)cc2)cc1 587196875 ZVAHAMBNWKWIKC-UHFFFAOYSA-N 448.552 4.962 10 1 IJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2)cc1 587196270 RVZMPXACTBRGJG-UHFFFAOYSA-N 448.552 4.962 10 1 IJCF COc1cc(C(=O)c2cn(-c3ccc(N)cc3)cc2-c2ccc(N)cc2)cc(OC)c1OC 1857589556 HQVMRVMGUWOSRW-UHFFFAOYSA-N 443.503 4.566 10 1 IJCF CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccnc2)cc1 38799796 DZHGXRANHZOYQM-UHFFFAOYSA-N 430.913 4.554 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2O)N1 587717012 KKQIBHPZSIJOOR-GYKQLYQFSA-N 433.090 4.819 10 1 IJCF CCN(CCCO[N+](=O)[O-])Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 71359405 LZQNWDFSCOUJCL-UHFFFAOYSA-N 430.892 4.758 10 1 IJCF COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587674472 WXLMSJXPEVCPAI-ZKANADHPSA-N 445.126 4.689 10 1 IJCF CCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(N2C[C@H]3CCCC[C@H]3C2)cc1 1857607431 NEEIDIOWJUWJSA-OYRHEFFESA-N 446.595 4.640 10 1 IJCF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O 40587695 SSQQBMVHIQQAQB-HRNJHOTLSA-N 426.509 4.781 10 1 IJCF Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823803 WGKPOTUDFIZLOZ-ASSNKEHSSA-N 436.321 4.553 10 1 IJCF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 28816681 MOWVCRAWZYZKPE-HXIRNQQJSA-N 439.320 4.925 10 1 IJCF CN(C)c1ccc([C@H]2CC(c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)=NN2)cc1 45285334 SIKZEWFZRFOITQ-OAQYLSRUSA-N 425.488 4.670 10 1 IJCF CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587387407 PPZYIGZWJNQXKF-MHZLTWQESA-N 441.531 4.894 10 1 IJCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1cccc(Cl)c1)C2 29132616 JILGVVMJBIAGKO-UHFFFAOYSA-N 431.772 4.533 10 1 IJCF Cc1cc(=O)c2ccc(O)c(CN(CCc3ccccc3)Cc3ccc([N+](=O)[O-])cc3)c2o1 64516833 MRIGVCSXIRGYEI-UHFFFAOYSA-N 444.487 4.960 10 1 IJCF Nc1ccc(Oc2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)cc1 587118183 KFMPJKLGNITRRX-UHFFFAOYSA-N 440.385 4.856 10 1 IJCF CC1(C)C=Cc2c(cc3oc(-c4cc(O)c(O)c5c4OC(C)(C)CC5)cc(=O)c3c2O)O1 13387661 CFWGDLSLLOXNKI-UHFFFAOYSA-N 436.460 4.865 10 1 IJCF biogenic COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(/N=N/c2ccccc2)cc1 26498738 SVGMDFMENGZGOK-XJPNONJMSA-N 445.475 4.682 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(O)c32)N1 587687587 VLRAYQVPPYMWAM-NIVTXAMTSA-N 441.138 4.780 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766953 PIQACFYOZCIYOM-PEBXRYMYSA-N 432.381 4.958 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587738643 BUIQPFACQAGRIO-WHEQGISXSA-N 447.348 4.521 10 1 IJCF Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823804 WGKPOTUDFIZLOZ-LRTDBIEQSA-N 436.321 4.553 10 1 IJCF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cc2ccccc2cc1O 963151227 SLNVFDLCSJRQLC-UZUQRXQVSA-N 440.521 4.512 10 1 IJCF CCCCCCOc1cc(OC)c(OC)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12 13822671 OBYSICXICMQVSB-UHFFFAOYSA-N 444.480 4.856 10 1 IJCF CC1=C(c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)NNC(=O)C1 587081073 RBNBJJAFNWZNGT-PXAQALGRSA-N 431.927 4.798 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2O)N1 587682655 UXIWZLKZYHHSKP-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834766 SQCWSEHUPFHFDK-WSVYEEACSA-N 436.321 4.641 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(Br)cc2F)N1 587720171 MUWLZNAEIXWTOD-CQLKUDPESA-N 447.117 4.993 10 1 IJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)[C@@H](C)c2ccccc2)c1 13863529 BGPBPVLKKWKESV-XPBCYZTKSA-N 439.951 4.578 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c21 587270688 QMHMJRGRIGCHPL-UHFFFAOYSA-N 446.422 4.976 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576609 JSRIZGOZAPBYPA-OZXSUGGESA-N 443.455 4.531 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766954 PIQACFYOZCIYOM-RCDICMHDSA-N 432.381 4.958 10 1 IJCF COc1cc([C@H](CCC(C)C)CC(=O)C[C@@H](O)CCc2ccc(O)c(O)c2)ccc1O 2356368488 QCUJUMBWCONHDT-QUCCMNQESA-N 430.541 4.675 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587714748 ASEHAYCJPFZTIP-XYZCENFISA-N 434.227 4.990 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834765 SQCWSEHUPFHFDK-WIUDPPPLSA-N 436.321 4.641 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696569 PSSMUFCAUWNBHL-YUNKPMOVSA-N 439.756 4.702 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2O)N1 587713360 BYGLKDHNWGJBAT-NZFNHWASSA-N 433.090 4.819 10 1 IJCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(F)cc4)c4ccccc34)[C@@H]21 64447828 CKTFTIVZFKPLTM-XMMPIXPASA-N 425.463 4.616 10 1 IJCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)[C@H](C(=O)O)c2ccccc2)cc1 13732456 SLDCMEISYKBOIQ-DEOSSOPVSA-N 428.536 4.921 10 1 IJCF Oc1c(O)c(Cl)c2c(c1Cl)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123580 ADPNBQKOFCZDEJ-UHFFFAOYSA-N 445.799 4.923 10 1 IJCF O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 299835290 DAHBHGNHDHBYEH-GYAQKSNVSA-N 448.950 4.698 10 1 IJCF O=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1)c1ccc([N+](=O)[O-])o1 28530253 LBIPOSZDSWPRRL-UHFFFAOYSA-N 437.471 4.716 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587819956 CERVYTGHVGBKDJ-IPQOISQHSA-N 444.300 4.531 10 1 IJCF CO[C@@H]1C=C[C@](CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)(OC)O1 53313166 OIPPCKROLJKWIL-DFBJGRDBSA-N 429.476 4.870 10 1 IJCF C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)NCCc3cc(Cl)ccc32)c(O)c1 963391057 PFVUIBBONPIVBS-AREMUKBSSA-N 449.934 4.591 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(OC)cccc12 26934962 AYBQOHIVXOUGTE-UHFFFAOYSA-N 437.521 4.829 10 1 IJCF COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2Cc2ccc(C)cc2)cc(OC)c1OC 29314870 GFDHUDSCKRXFJS-QFIPXVFZSA-N 449.547 4.774 10 1 IJCF CCCCCc1cc(CC[C@H]2C[C@@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 85596420 LMFOOICIYWILJW-QTEQDKRBSA-N 430.541 4.759 10 1 IJCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587764050 BQOHUKSCDMBUQV-FPTDNZKUSA-N 433.365 4.903 10 1 IJCF COc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587682491 ZJRLIOQNXDKFMC-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF COc1ccc(N(C)C)cc1Oc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F 13474047 IOHKPLHIERUXSO-UHFFFAOYSA-N 428.439 4.611 10 1 IJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587677844 MCBPFFYWNMUZKE-CQLKUDPESA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772273 ZMDQPZHJILVJIL-LRTDBIEQSA-N 447.348 4.513 10 1 IJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(N(C)C)c(F)c1 963841142 IHMMBKJIZMYGFX-JPYJTQIMSA-N 442.531 4.926 10 1 IJCF CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772637744 AFYUULDNTWLVOD-UQBPGWFLSA-N 437.584 4.855 10 1 IJCF COc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587338152 CNFKINIOFQGANO-DEOSSOPVSA-N 433.479 4.938 10 1 IJCF COc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587674469 WXLMSJXPEVCPAI-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@@H]1CC=C[C@H]21 587273054 ZWYZEZHXXRRLLO-IUUKEHGRSA-N 426.274 4.764 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@@H]1CC=C[C@@H]21 587277160 PVOVPJIYOYDWLB-CLUVUEOHSA-N 426.379 4.928 10 1 IJCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587530451 CDBAMOILOPLFMC-SVBPBHIXSA-N 442.467 4.697 10 1 IJCF CN1c2ccc(OC(=O)NCc3ccccc3)cc2CN2CCc3c([nH]c4ccccc34)[C@@H]21 220984788 HHHJRHGRLBSYRY-AREMUKBSSA-N 438.531 4.963 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)c(N)cc12 26842788 FIXYQRADILMUKV-UHFFFAOYSA-N 436.537 4.711 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Br)N1 587675304 AVUXBSXQYWUZRM-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587742067 JFGTWDGPQNSBMW-LAJNKCICSA-N 435.337 4.830 10 1 IJCF Cc1cc(=O)oc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587837356 GCJNAZFBDMJOIA-MQJDWESPSA-N 432.289 4.506 10 1 IJCF Nc1ccc(NC(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1 473149208 JDARBWXAWBLLQG-UHFFFAOYSA-N 439.319 4.755 10 1 IJCF Nc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 29567080 AEZRBBDSRJSDKA-UHFFFAOYSA-N 443.570 4.925 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587721862 QTXDCTQFSFYBMM-XLFHBGCDSA-N 434.227 4.990 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 587820967 GEXKEFCRGYWWFX-XMHCIUCPSA-N 428.301 4.826 10 1 IJCF CCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1 1857607432 NEEIDIOWJUWJSA-SFTDATJTSA-N 446.595 4.640 10 1 IJCF CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587699488 SOJOZDIONMBSDL-DGIBIBHMSA-N 426.713 4.704 10 1 IJCF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)Nc3ccc(N)cc3)cc1)CC2 40913649 GGQMUXQOMIDATF-UHFFFAOYSA-N 446.551 4.531 10 1 IJCF COc1cc2c(cc1OC)[C@](COc1cccc(C)c1)(c1ccc(O)cc1O)N(C)[C@H](C)C2 962619638 FETDTXFEHYAMKT-CLYVBNDRSA-N 449.547 4.622 10 1 IJCF O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1 40413504 HFFVHAAJKUYKNV-KGENOOAVSA-N 438.405 4.746 10 1 IJCF O=[N+]([O-])c1cccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c12 263610199 VXSGZEDHCOEWTR-UHFFFAOYSA-N 439.405 4.975 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766977 POTCGKQYBJFAIT-PEBXRYMYSA-N 432.381 4.958 10 1 IJCF COc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(O)c1O 587784867 DYNUSHNIYOOKPI-IHWYPQMZSA-N 445.191 4.814 10 1 IJCF O=Cc1cc(Br)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 586982342 KEDKXGGYBVVKLS-UHFFFAOYSA-N 431.245 4.580 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587747908 SSIXWIMSGYOBCT-NSPYISDASA-N 432.297 4.635 10 1 IJCF CCCCCc1cc(CC[C@@H]2C[C@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356556708 LMFOOICIYWILJW-MZKRTTBSSA-N 430.541 4.759 10 1 IJCF CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3C)c3ccccc3nc2c1 26847348 RPCAASDZLMEREY-UHFFFAOYSA-N 434.521 4.770 10 1 IJCF CN(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1 117160293 GRUYEJOLVKNPLX-XNTDXEJSSA-N 432.549 4.838 10 1 IJCF Cc1ccc2c3c(ccc2c1)C(=O)c1c2c(cc(Cl)c1C3=O)[C@H]1C[C@@](C)(N2)[C@H](O)[C@H](C)O1 2356512490 VRJIWWHHNNFQNO-GMJAETRHSA-N 447.918 4.972 10 1 IJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(OC)cccc12 29470885 HUKGIPVRPRQDQF-UHFFFAOYSA-N 436.537 4.862 10 1 IJCF COc1cccc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1 219920313 COVVPHMFIIRCCC-OAQYLSRUSA-N 432.520 4.821 10 1 IJCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)CC2=O 587470556 LAVPJQQZWWNWLS-XMMPIXPASA-N 449.503 4.922 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587769694 ZKHCKPPNNKSCMK-PEBXRYMYSA-N 433.365 4.903 10 1 IJCF CCCCC[C@@H](O)C[C@@H](CCc1cc(CNC)c(O)c(OC2CCCC2)c1)OC(C)=O 2356606153 FPJQBMWNNHVTJY-FYYLOGMGSA-N 435.605 4.629 10 1 IJCF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 2934394 BNDCGTJBCUFNCG-DVECYGJZSA-N 436.895 4.757 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587822625 PUAKKYFUHKKUTI-IPQOISQHSA-N 444.300 4.531 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587708317 AWVTUFRWMWDCQE-ZMZPIMSZSA-N 431.271 4.994 10 1 IJCF O=C1C[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587502191 ILAMUURVTGFYPA-RUZDIDTESA-N 449.434 4.933 10 1 IJCF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cc(F)ccc2O)N1c1cccc(F)c1 29129191 XBKUWUYFYXGJCH-DNVJHFABSA-N 425.431 4.731 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587751771 OTQKYULEGNIMTQ-SBKAZYGRSA-N 431.261 4.979 10 1 IJCF Cc1cc(C)c2c(c1O)[C@@H](NCCN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26148656 RIPLZLORYZEKLH-XMMPIXPASA-N 428.020 4.698 10 1 IJCF O=C(c1cccc([N+](=O)[O-])c1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28468358 RTMPNHDALZLZNV-XBXARRHUSA-N 428.400 4.661 10 1 IJCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)CC2=O 587470555 LAVPJQQZWWNWLS-DEOSSOPVSA-N 449.503 4.922 10 1 IJCF COc1ccc(N2CCN(CCCOc3cccc4c(=O)c5ccccc5oc34)CC2)cc1 95593011 MEGXDIXBIONRMG-UHFFFAOYSA-N 444.531 4.546 10 1 IJCF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 1857601999 GFEDTVSZLDGHTN-LICLKQGHSA-N 448.363 4.542 10 1 IJCF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc12 587039424 XQERTELUBFASKZ-ZDUSSCGKSA-N 446.536 4.685 10 1 IJCF COc1cc(O)c(O)c2c1C(=O)O[C@H]2CCCCCCCCCC(=O)CCC[C@H](C)O 2356438285 ZAVRTFLOAAMFDU-LPHOPBHVSA-N 436.545 4.949 10 1 IJCF Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccccc3O)c3ccccc32)c1 8829061 JGHMPZXUZLUYKP-CYYJNZCTSA-N 428.448 4.924 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(OCCCn4ccnc4)cc3)[nH]c21 28643754 AULJAGKSIXDGBY-UHFFFAOYSA-N 448.482 4.671 10 1 IJCF Cc1cccc(NC(=O)Cn2c(O)c(N=NC(=O)c3ccccc3O)c3ccccc32)c1 253978816 JGHMPZXUZLUYKP-UHFFFAOYSA-N 428.448 4.924 10 1 IJCF aggregator COc1ccc([C@H]2C(CN3CCN(c4ccc(OC)cc4)CC3)=NO[C@@H]3CCCC[C@H]23)cc1 473082737 LBNHCYQCKKBHGE-WYMJOSIYSA-N 449.595 4.555 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587272212 PXBKBHJBIVDDNX-OZVIIMIRSA-N 426.274 4.764 10 1 IJCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 587536524 VCWRFVYYXIDERT-RPLLCQBOSA-N 442.467 4.540 10 1 IJCF COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1772613029 RVXODOWVASOCOF-UHFFFAOYSA-N 449.982 4.704 10 1 IJCF COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2Cc1ccccc1 38216400 AYMSYYHWAONOKI-QFIPXVFZSA-N 427.508 4.845 10 1 IJCF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@H]1c1ccccc1O 103177315 MBSMDYQGQUHBPC-QHCPKHFHSA-N 439.471 4.940 10 1 IJCF O=C(O)c1cc(/C=C2\SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)ccc1O 45496937 DMIWVWYKHHMBIN-ZSOIEALJSA-N 425.409 4.515 10 1 IJCF O=[N+]([O-])C(/N=N/c1c(Cl)cccc1Cl)=C1\NCCN1Cc1ccc(Cl)nc1 103216827 QPJKMHNMZWCGPL-ALFBEORRSA-N 427.679 4.634 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587752828 GQIJMUXPYMNYFI-VERVWZFWSA-N 445.332 4.648 10 1 IJCF CCOc1cc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(Cl)cc1C(=O)O 587939512 BVHLLWCVEBNAIJ-UHFFFAOYSA-N 433.913 4.607 10 1 IJCF CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)c2ccncc2)cc1 38428525 WOBPAAQMCPABAS-UHFFFAOYSA-N 430.476 4.689 10 1 IJCF CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963578628 GSMRFYVXVLEGQU-PEBXRYMYSA-N 438.490 4.596 10 1 IJCF Cc1ccc(Nc2nc(/N=N/Cc3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1 169693105 PBMNRUXXANZCIL-QCWLDUFUSA-N 428.500 4.525 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587769692 ZKHCKPPNNKSCMK-FPTDNZKUSA-N 433.365 4.903 10 1 IJCF NC(=O)N1CCc2sccc2[C@]1(Cc1ccccc1)c1cc(Br)ccc1O 962715184 QVPUCXKXYRMNFS-OAQYLSRUSA-N 443.366 4.639 10 1 IJCF COc1cccc2cc3c(nc12)[C@](CC(=O)c1ccco1)(c1cc(C)ccc1O)NCC3 963048100 RXFLPFDJMOSVKW-SANMLTNESA-N 428.488 4.513 10 1 IJCF C[C@H](NC(=O)c1ccon1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772634969 HARDXSBGNUGBDE-MHECFPHRSA-N 447.535 4.612 10 1 IJCF CC(C)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767487 RAGZRBDEPXXDSI-HJPURHCSSA-N 446.408 4.742 10 1 IJCF O=C(OCc1ccccc1)N1CCCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 1857633263 WYTSVWPGCXSZBN-UHFFFAOYSA-N 433.596 4.836 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275788 GPIQPJNURQKDEY-GTQRCTGISA-N 430.443 4.931 10 1 IJCF CCC[S@](=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 1857551309 IFQFTAVRFSFDFF-LJAQVGFWSA-N 447.597 4.697 10 1 IJCF CCN(CC)CCNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12 5839790 KQJWIJQJDJWTKK-OCEACIFDSA-N 425.558 4.656 10 1 IJCF COc1ccccc1NC(=O)Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21 17862828 RQDAPUUNXMBTJD-RQZHXJHFSA-N 444.447 4.624 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(O)c32)N1 587687588 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430.453 4.553 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587277381 VCYBTZKAQWFOQM-ZETOZRRWSA-N 444.264 4.903 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587743766 FKBMVJAOFGOWGG-WYRIXSBYSA-N 432.297 4.635 10 1 IJCF COc1ccccc1/N=N/c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F 1857617069 UVHOEUNRULJPLG-CYYJNZCTSA-N 438.394 4.921 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2O)N1 587729494 VRHBLKZIBDFURJ-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF CC(=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O 2356531337 WCDJIWAYGSJPBT-NRFANRHFSA-N 442.508 4.646 10 1 IJCF CC(C)=CCCc1c(O)cc2oc3cc(O)c(O)c(CCCC(C)(C)O)c3c(=O)c2c1O 95099123 JQCKGYUXMNYXDA-UHFFFAOYSA-N 442.508 4.761 10 1 IJCF biogenic,in-vitro CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587236072 XYFFUEYBKSZIIY-SJLPKXTDSA-N 445.519 4.889 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587272426 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426.564 4.952 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)O2 587390887 SHJMFBQXRQZKFO-MWTRTKDXSA-N 434.492 4.543 10 1 IJCF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587927661 SCXCJTABUCSNRF-HNNXBMFYSA-N 426.472 4.897 10 1 IJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 82189981 JBCUGHFVRCYQCZ-UHFFFAOYSA-N 434.588 4.875 10 1 IJCF Cc1cc(=O)oc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587837357 GCJNAZFBDMJOIA-WIUDPPPLSA-N 432.289 4.506 10 1 IJCF CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3F)N2)c1O 2935389 ORAXDGDJIROABU-NBGIEHNGSA-N 434.467 4.633 10 1 IJCF COc1cc(C(=O)c2cn(-c3ccc(N)cc3)cc2-c2cccc(N)c2)cc(OC)c1OC 1857570908 YHUQGBROFMZDNW-UHFFFAOYSA-N 443.503 4.566 10 1 IJCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 95590393 JVGQUBQKBOAEDR-UHFFFAOYSA-N 438.593 4.933 10 1 IJCF Cc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587681817 XXCXWEOAXPTIII-FVMDXXJSSA-N 429.127 4.988 10 1 IJCF 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439.859 4.936 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Br)cc2F)N1 587720659 NTVASICKHSANAM-HYORBCNSSA-N 433.090 4.819 10 1 IJCF Nc1ccc(-n2cc(-c3ccc(-n4nc(C(F)(F)F)cc4C(F)(F)F)cc3)nn2)cc1 1857633878 ZXWGDVPLLWRIQM-UHFFFAOYSA-N 438.335 4.740 10 1 IJCF O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc(CN2CCCC2)c(O)c2ncccc12 1857755937 QYQJODALRDOHRI-UHFFFAOYSA-N 429.442 4.736 10 1 IJCF Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cc4ccco4)o3)SC2=S)c1 45255041 XVUIMNMSEIKAEO-UNOMPAQXSA-N 438.530 4.612 10 1 IJCF O=C(CNC(=O)/C=C/c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12 101498150 CIGGRLQZYDKVPJ-DGBXKLICSA-N 442.475 4.623 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(Br)cc2F)N1 587716184 DKIYUNVDIGZNKI-RBHXEPJQSA-N 447.117 4.993 10 1 IJCF COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)cc(O)c1O 2356774919 GDRIYSAPVTZOPJ-JTAQYXEDSA-N 430.541 4.614 10 1 IJCF COc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc(OC)c1OC 103966398 BEKIBCBAZCUJIS-QURGRASLSA-N 434.246 4.586 10 1 IJCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4cc(Br)c(OC)cc14)[C@@H](C2)C3=O 587417039 HTBXFDUKTGFQFU-RCDICMHDSA-N 442.309 4.755 10 1 IJCF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)CC2=O 587481284 AVPRCSKEXCIDPX-AREMUKBSSA-N 446.455 4.756 10 1 IJCF CCCCCCOc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(O)c2c1=O 13822673 NHFYSGVFQGSRJD-UHFFFAOYSA-N 430.453 4.553 10 1 IJCF COc1ccc(-c2csc(-n3nc(C)c(N=Nc4ccc(C(N)=O)cc4)c3O)n2)cc1 617978375 XOLMKIQRKXHLSF-UHFFFAOYSA-N 434.481 4.533 10 1 IJCF Oc1ccc2c(c1)[C@@](c1cc(Cl)ccc1O)(c1ccccc1Br)NCC2 963329689 QVIFCOGTRUKMRP-OAQYLSRUSA-N 430.729 4.951 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(F)c2O)N1 587717416 FZXWVOXKNBGVMR-MLXNANBUSA-N 433.090 4.819 10 1 IJCF O=C(C[C@H](c1ccc(O)c(O)c1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O 653712799 OFPWMALENVLJAS-QGZVFWFLSA-N 441.439 4.796 10 1 IJCF O=C(Nc1ccc2c(c1)C(=O)c1cc(NC(=O)c3ccccc3)ccc1C2=O)c1ccccc1 40412492 IJKYLKHKCJTQGH-UHFFFAOYSA-N 446.462 4.967 10 1 IJCF in-vivo CCCN(CC1CC1)Cn1c(O)c(N=NC(N)=S)c2cc(C)c(Br)cc21 377815253 CZFRFXSGCVDTKB-UHFFFAOYSA-N 438.395 4.825 10 1 IJCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587677846 MCBPFFYWNMUZKE-QPFGOUBPSA-N 445.126 4.689 10 1 IJCF COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cc(O)c(O)c(OC)c4)[nH]c3c2)cc1 587784682 CCGSGUZEMFHCKO-KMKOMSMNSA-N 432.432 4.732 10 1 IJCF O=C1NN(C(=O)c2ccccc2Cl)C(c2ccccc2)=N/C1=C/c1ccccc1Cl 64516598 SZHGJYFCTVHTMR-XSFVSMFZSA-N 436.298 4.968 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c21 587168733 NZUUODIYUGBZOC-UHFFFAOYSA-N 449.445 4.603 10 1 IJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590647 ZNDBGMMHKUNBER-JUQGJLATSA-N 443.499 4.790 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2O)N1 587676278 FPMSHLDWBWJUBQ-HUTHGQBESA-N 429.127 4.854 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276379 KWYVABKGPCWWIY-PNCHPQGNSA-N 433.512 4.546 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587698347 PVJUTWHPADLZDM-RBHXEPJQSA-N 429.673 4.653 10 1 IJCF COc1cc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc(OC)c1OC 40875983 SYCVPYFTMRCYKT-UHFFFAOYSA-N 447.491 4.839 10 1 IJCF COc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587338155 CNFKINIOFQGANO-XMMPIXPASA-N 433.479 4.938 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587764053 BQOHUKSCDMBUQV-RCDICMHDSA-N 433.365 4.903 10 1 IJCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O 587784971 GLAPYYPIQGFTSU-IHWYPQMZSA-N 429.192 4.934 10 1 IJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(N(C)C)c(F)c1 963841143 IHMMBKJIZMYGFX-WZONZLPQSA-N 442.531 4.926 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC(F)(F)C4)cc3)C2)cc1 1772608125 LDAISFSZRQXFRD-XDHUDOTRSA-N 444.522 4.966 10 1 IJCF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O 2356336922 SSQQBMVHIQQAQB-WIOPSUGQSA-N 426.509 4.781 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772275 ZMDQPZHJILVJIL-ZSEKCTLFSA-N 447.348 4.513 10 1 IJCF COc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587684141 YGKSPLWTJHUNDN-BCTVWOGZSA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696029 OXLJDESCKNYGCR-YUNKPMOVSA-N 439.756 4.702 10 1 IJCF Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587822236 MGKYANSOBSJQTG-LRTDBIEQSA-N 436.321 4.553 10 1 IJCF COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)c1OC 963832598 QTFVSUOODVZQDV-HSZRJFAPSA-N 430.504 4.705 10 1 IJCF C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772606933 HLMUKJKKAIURAZ-KSFYIVLOSA-N 430.495 4.575 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749828 ZPIAQKWHHRSRGW-FKIZINRSSA-N 434.309 4.720 10 1 IJCF COc1cc(C(=O)c2cn(-c3ccc(N)cc3)cc2-c2ccccc2)cc(OC)c1OC 1857588801 LQFRSTKGCINPLD-UHFFFAOYSA-N 428.488 4.983 10 1 IJCF Oc1cc(F)cc(Br)c1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961611825 DRDZWFREBRLDFA-INIZCTEOSA-N 427.111 4.824 10 1 IJCF Cc1cccc2c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 102681490 KZNQSXGDSPLHFF-GHVJWSGMSA-N 440.506 4.968 10 1 IJCF CNCc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1O 28759305 HYRGRVPFPWROAE-UHFFFAOYSA-N 444.326 4.880 10 1 IJCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 28816627 OGBUNPYXZXVBRT-CKNOQMABSA-N 425.293 4.535 10 1 IJCF O=C(O)c1cccc2c1CCN[C@]2(Cc1ccccc1Cl)c1cc(Cl)c(O)cc1O 963133751 SBPAAXBTYAXEHY-QHCPKHFHSA-N 444.314 4.735 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(F)c2O)N1 587715332 CGCXYTJFJOEPEI-WNWIJWBNSA-N 447.117 4.993 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@H]1CC=C[C@H]21 587273055 ZWYZEZHXXRRLLO-PZROIBLQSA-N 426.274 4.764 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587714743 ASEHAYCJPFZTIP-HUTHGQBESA-N 434.227 4.990 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834073 PWLWAYCLNKRUGO-FIKIJFGZSA-N 436.321 4.641 10 1 IJCF COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)c1OC 963832599 QTFVSUOODVZQDV-QHCPKHFHSA-N 430.504 4.705 10 1 IJCF Nc1ccc(NC(=O)c2cccnc2[S@](=O)C(c2ccccc2)c2ccccc2)cc1 13605241 MGAFFMOBTACWFX-HKBQPEDESA-N 427.529 4.813 10 1 IJCF COc1ccc(C2=C([Si](C)(C)C)[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 205838728 DACYBNXMAMOOFD-RLWLMLJZSA-N 443.575 4.969 10 1 IJCF COc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(O)c1O 587784951 GAFKROWVCWCTNZ-GORDUTHDSA-N 429.192 4.934 10 1 IJCF COc1cccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c1O 29129236 WXWRNUKPILJYGJ-KIFXHHALSA-N 437.467 4.600 10 1 IJCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCc3ccc(Cl)cc3)cc(O)c12 43012025 BYQBMIHQROWCQG-UHFFFAOYSA-N 426.808 4.515 10 1 IJCF Cc1nc(-c2cccnc2)sc1C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295512 VJATZUYJQRVTHM-FQEVSTJZSA-N 441.516 4.606 10 1 IJCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cc2cnccc2c(Br)n1 587941885 SLSNEMWOYNRWAU-UHFFFAOYSA-N 428.311 4.929 10 1 IJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)CCC3)CC2 587579988 AXIOARYOZBTWBU-DEOSSOPVSA-N 427.500 4.882 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587821322 HPXYTWXKJJLUTM-DMZKTXOQSA-N 428.301 4.826 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587839300 RCJVKTLHXLFION-RKFFSXRUSA-N 442.284 4.931 10 1 IJCF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587766937 PBBWYCWEIWBOIJ-YEJXKQKISA-N 447.348 4.599 10 1 IJCF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(N2CCOCC2)cc1Cl 963282856 ZEKKGJATLLEDGR-OAQYLSRUSA-N 435.793 4.691 10 1 IJCF Cc1ccc(CCNC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 28521578 AGVWRUHDPWHVJF-LJAQVGFWSA-N 442.651 4.757 10 1 IJCF C[C@@H]1Cc2c(Cl)c(O)c(O)c(Cl)c2CN1C(=S)NCCc1ccc(Cl)cc1 29123282 HFEBHXZRYMCTPR-SNVBAGLBSA-N 445.799 4.922 10 1 IJCF COc1ccc(CCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC 587924914 HAYMNGFRZLDGPK-UHFFFAOYSA-N 426.472 4.531 10 1 IJCF CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@@H]1Cc1ccc(Br)cc1 103202412 HUXSLGJYSYYFCB-KRWDZBQOSA-N 434.330 4.937 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587837445 HAYYUETUVAZEKD-SAHAZLINSA-N 442.284 4.931 10 1 IJCF Cc1cc2c(cc1F)[C@H](c1cnc3n1CCc1ccccc1C3=C1CCN(C)CC1)NCC2 962296426 GRHROKOSBVMTRX-HHHXNRCGSA-N 442.582 4.649 10 1 IJCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cc(Br)ccc1O 95558784 PQYBGUPUWLHXKF-INIZCTEOSA-N 438.119 4.615 10 1 IJCF Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4O)=NN3C3=NC(=O)CS3)cc2c1 98085535 MHCYLQOPXIJVNU-SFHVURJKSA-N 436.924 4.683 10 1 IJCF CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587430397 HMHOBYMIMHFJPC-BWKNWUBXSA-N 431.488 4.768 10 1 IJCF CCN(CC)CCOc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72180881 PULMJVJZPHXZQN-MUUNZHRXSA-N 448.607 4.812 10 1 IJCF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)(C)C 587205414 RBNCFMOSJVSWTE-SFHVURJKSA-N 447.535 4.820 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576608 JSRIZGOZAPBYPA-JYFHCDHNSA-N 443.455 4.531 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2O)(c2ccccc2O)N1 587832974 LPUNWKZNVDIIQD-CYBMUJFWSA-N 428.301 4.826 10 1 IJCF COc1ccc(F)c(CC2CCN(C3CCN(c4ccc(OC)c(OC)c4)CC3)CC2)c1 1772569949 WYCCDFKHRWDHTD-UHFFFAOYSA-N 442.575 4.775 10 1 IJCF O=[N+]([O-])OCC1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2O)CC1 71341535 HIOMXKDTYVXJGJ-UHFFFAOYSA-N 442.903 4.758 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764604 GHIHPMOPWNLXTJ-JLCFBVMHSA-N 433.365 4.687 10 1 IJCF COc1ccc(C[C@@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC 587927023 QQZHCRZLOYKXFI-CQSZACIVSA-N 426.472 4.702 10 1 IJCF O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 9738274 RNTDMIZPYVEWAN-FCQUAONHSA-N 444.469 4.799 10 1 IJCF CCN(CC)CCOc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72180880 PULMJVJZPHXZQN-NDEPHWFRSA-N 448.607 4.812 10 1 IJCF Cc1nocc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149640758 AYTSETBNVRISQE-GOSISDBHSA-N 445.563 4.737 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587819958 CERVYTGHVGBKDJ-VERVWZFWSA-N 444.300 4.531 10 1 IJCF O=C(c1cc(F)cc(C(F)(F)F)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71282281 DXTJGSQKTCJUPA-LJQANCHMSA-N 429.373 4.937 10 1 IJCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c(Br)c2)cc1 103278210 PDMOYKGLCNMRHK-QZQOTICOSA-N 433.287 4.766 10 1 IJCF Cc1c(Cl)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] 587693225 MQVLUNUVZMLECC-ASCAZGACSA-N 443.700 4.962 10 1 IJCF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1cc(Br)c(C)cc1O 961322699 KVIOFDNGJATTDX-JOCHJYFZSA-N 434.374 4.630 10 1 IJCF CCCCNC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 103282168 HGZLQUCUUZEEEN-BOPFTXTBSA-N 434.970 4.718 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 587691650 CLFXTKVTGWHMHJ-MPBGBICISA-N 439.756 4.702 10 1 IJCF Cc1c(-c2ccc(O)c(O)c2)c(=O)oc2c(Br)cc(Br)cc12 299840936 WYEAEDDKGBOMMG-UHFFFAOYSA-N 426.060 4.705 10 1 IJCF COc1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc(O)c1O 587785260 JTSYCMGMWHCCNK-IHWYPQMZSA-N 440.091 4.678 10 1 IJCF COC(=O)c1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 587785000 GSWPJEBKHNDFNB-HJWRWDBZSA-N 449.438 4.822 10 1 IJCF O=C(CCCc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58590438 ARBJJZXMAPJXAX-UHFFFAOYSA-N 449.256 4.726 10 1 IJCF Nc1ccc(Nc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+](=O)[O-])cc2)cc1 66077480 FXTIOWSHKSPXSW-UHFFFAOYSA-N 443.467 4.615 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Br)N1 587675306 AVUXBSXQYWUZRM-XYZCENFISA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Br)N1 587679027 PKFWVQVKPIMEHH-HUTHGQBESA-N 429.127 4.854 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)c(F)c3)C2)cc1 1772615329 PNDWMODFFAUBOW-XERREHJYSA-N 448.485 4.715 10 1 IJCF O=Cc1ccc(OCc2occc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586900820 NGYGCDPGHUZBER-UHFFFAOYSA-N 448.434 4.990 10 1 IJCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2C(=O)c2ccncc2)cc1 38906807 JBXUEZZDBPVCMC-UHFFFAOYSA-N 430.476 4.689 10 1 IJCF Oc1ccc2ccccc2c1[C@H](c1ccc(OCCN2CCCC2)cc1)N1CCC(O)CC1 72181124 NFPWJXGMKZJZEM-NDEPHWFRSA-N 446.591 4.566 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2O)N1 587676803 FVXCTUUREGJGFL-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696565 PSSMUFCAUWNBHL-MPBGBICISA-N 439.756 4.702 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764299 DFHXHZDAMAABJA-JLCFBVMHSA-N 433.365 4.687 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3ccccc3C(F)(F)F)nc21 95591683 SPCBCUSGOVAYQG-UHFFFAOYSA-N 435.405 4.647 10 1 IJCF CC(C)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587764893 HDZORZXMLDVXNO-WAIKUNEKSA-N 446.408 4.742 10 1 IJCF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 963060472 TVSCDNLOXQXFEL-MHZLTWQESA-N 426.564 4.952 10 1 IJCF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587080921 VKVWYHSQJPUWJQ-GOSISDBHSA-N 440.890 4.716 10 1 IJCF CN1CCN(c2cc(Nc3ccc(F)cc3F)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772611155 GEFOCKHAXGNHRD-UHFFFAOYSA-N 446.457 4.813 10 1 IJCF O=C1c2ccccc2C(=O)c2cc(Cn3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc21 36383102 OXPMSDLVBSDYGI-UHFFFAOYSA-N 433.389 4.788 10 1 IJCF O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc(-c2c(F)cc(F)cc2F)cs1 653785013 UEJJQHNNBJHZAO-ZZXKWVIFSA-N 445.466 4.716 10 1 IJCF OCc1ncn(CCCc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)c1CO 27525308 KIBXHYYAVYBZLQ-UHFFFAOYSA-N 438.531 4.946 10 1 IJCF O=C(c1ccc(F)cc1C(F)(F)F)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294245 XABDVGMMNSRCQT-IBGZPJMESA-N 429.373 4.937 10 1 IJCF Cc1ccccc1NC(=O)Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21 253961272 QTGVMJARVQJAHT-UHFFFAOYSA-N 428.448 4.924 10 1 IJCF O=c1c(C=Cc2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@H]2CN(Cc2ccccc2O)C1 2356298289 OCRLTGKMKFAJJW-UGKGYDQZSA-N 432.951 4.997 10 1 IJCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br 587682435 YYXLWABLQWEMSL-CQLKUDPESA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587822623 PUAKKYFUHKKUTI-AMXDTQDGSA-N 444.300 4.531 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 587834569 SFJWBRSTPQQTOQ-DMZKTXOQSA-N 428.301 4.826 10 1 IJCF CCN(CC)S(=O)(=O)c1ccc(/N=N\c2cc(C)cc(Br)c2O)cc1 13123268 XGCOJPQJVQGWSR-VXPUYCOJSA-N 426.336 4.909 10 1 IJCF O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S 66166132 QVAGBUNBQXQSAZ-AVIKPIRVSA-N 438.357 4.891 10 1 IJCF CN1C[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297521 FBLXABFDLLCUPN-ZAOYMGCJSA-N 441.497 4.587 10 1 IJCF C/C(=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O 139833282 WCDJIWAYGSJPBT-XLPSYMGOSA-N 442.508 4.646 10 1 IJCF Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2O)cc1 169728039 UFHDLNCAUKXSGC-NRFANRHFSA-N 444.443 4.504 10 1 IJCF COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2ccc(F)cc2)c(O)c1 29129391 VUKKLODPZNJDBU-GMKZXUHWSA-N 437.467 4.600 10 1 IJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CC1CCN(Cc2ccc(F)cc2)CC1 587944965 BRWVGCVSFJGHFY-UHFFFAOYSA-N 440.584 4.918 10 1 IJCF O=C(c1cccc(C(F)(F)F)c1F)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294661 FXGFLCBREGNIRY-GOSISDBHSA-N 429.373 4.937 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587839981 WFJKQQUREXNMSF-XFNZEKPQSA-N 442.284 4.931 10 1 IJCF COc1ccc(C2(Cc3ccncc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 580262 MEWCMZLEQHMKEB-UHFFFAOYSA-N 427.500 4.971 10 1 IJCF O=c1oc2ccccc2c2c(-c3ccc(O)c(O)c3)c3c4cc(O)c(O)cc4ccn3c12 28476906 GHAOJDMIONVYIF-UHFFFAOYSA-N 425.396 4.842 10 1 IJCF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)(C)C 587205413 RBNCFMOSJVSWTE-GOSISDBHSA-N 447.535 4.820 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@H]1CC=C[C@H]21 587272645 XCTDDVHIXPBJKJ-MKBNYLNASA-N 426.274 4.764 10 1 IJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)c1O 103266522 SKRVAOJKHGQPBH-UHFFFAOYSA-N 434.517 4.967 10 3 IJCF O=C(c1ccc(C(F)(F)F)c(F)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71281284 ZTMVSRJEQFNODC-IBGZPJMESA-N 429.373 4.937 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(Cl)c3Br)[nH]c21 586979251 KOBZEXXCFRWACW-UHFFFAOYSA-N 438.668 4.816 10 1 IJCF CCOc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587348353 WITKNYJVCUHMNM-RSXGOPAZSA-N 433.479 4.938 10 1 IJCF Oc1ccc2c(c1)[C@]1(C=C(c3ccc(O)c(O)c3)O2)c2c(F)cccc2C[C@H]2CCCN21 963098582 GPCORMKTIVFJRB-WGDIFIGCSA-N 431.463 4.640 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c21 587120237 DQLICOIITPYHNY-UHFFFAOYSA-N 432.361 4.900 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2O)N1 587718831 OLUYPKNLQWJLNR-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF O=C1C(=C(O)c2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 101099971 ATCPMRLGDPTTHD-UHFFFAOYSA-N 441.270 4.963 10 1 IJCF Cc1ccc2c3c(cc([C@@H]4C(=O)c5cccc([N+](=O)[O-])c5C4=O)nc13)-c1ccccc1C2=O 587098272 PPARHFAQNWUIQW-JOCHJYFZSA-N 434.407 4.826 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(CC(=O)N3CCCC[C@@H]3C)c3ccccc13)O2 587392601 CAHPOXOURDEWHK-BXKMTCNYSA-N 445.563 4.948 10 1 IJCF Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587680713 PTSKILLLLICFFX-FVMDXXJSSA-N 429.127 4.988 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587744011 YNGCAIWFFGNVIS-WHEQGISXSA-N 447.348 4.521 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587821778 JYKFNXGTNJQXHE-YTEVENLXSA-N 444.300 4.531 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587819960 CERVYTGHVGBKDJ-YTEVENLXSA-N 444.300 4.531 10 1 IJCF CC[C@H]1CN(C)[C@H]2Cc3c(n(Cc4ccccc4)c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 1772587695 PWDPPLCZVSMUPL-YPLHNQGHSA-N 444.575 4.564 10 1 IJCF Cc1cc(N(C)CCO)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 13671993 WTOMXQPJJMYNRR-BJMVGYQFSA-N 445.441 4.522 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587764929 ALQKHNUDYXWAKP-LRTDBIEQSA-N 447.348 4.513 10 1 IJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)[C@H](C)c2ccccc2)c1 13863527 BGPBPVLKKWKESV-AIPIOJKYSA-N 439.951 4.578 10 1 IJCF CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(F)cc3)N2)c1O 2934410 QPMIIEZVJIZOAU-NLFFAJNJSA-N 434.467 4.633 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749831 ZPIAQKWHHRSRGW-YUNKPMOVSA-N 434.309 4.720 10 1 IJCF CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)c(Cl)cc1C(=O)O 587941632 QSMFSOVEUCCPGY-UHFFFAOYSA-N 443.883 4.920 10 1 IJCF COc1ccc2c(c1OC)[C@](c1cnn(C(C)(C)C)c1)(c1ccccc1O)N(C)[C@@H](C)C2 962618190 BQGWBUAMIHWGOS-QLXKLKPCSA-N 435.568 4.529 10 1 IJCF CN(/C=C/c1oc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)O)c1ccccc1 2975339 SSXYIKWECVWETL-UHFFFAOYSA-O 449.552 4.772 10 3 IJCF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587260313 QXKMMFSSTUYXHL-UHFFFAOYSA-N 428.518 4.786 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2O)N1 587721440 VRSABUJGMZIVED-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587764927 ALQKHNUDYXWAKP-ASSNKEHSSA-N 447.348 4.513 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 587834572 SFJWBRSTPQQTOQ-XMHCIUCPSA-N 428.301 4.826 10 1 IJCF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12 13585185 NQLPFCPYRSGQGU-UHFFFAOYSA-N 448.741 4.804 10 1 IJCF CCCCC[C@H](CC(=O)C[C@H](O)CCc1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 85626289 CUKAXRFUUWCENR-UYAOXDASSA-N 430.541 4.819 10 1 IJCF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587830993 GROVJIMPOCLENN-SPSFWMDKSA-N 438.296 4.664 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587754640 ZPPAAZUZOFMQQZ-FVINQWEUSA-N 431.261 4.979 10 1 IJCF CN(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 45192833 QIMRZWDGNJUPNF-LJQANCHMSA-N 437.584 4.872 10 1 IJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc2cnccc2c(Br)n1 587941508 PPGMXPRHMSZQNO-UHFFFAOYSA-N 442.338 4.562 10 1 IJCF O=C(C1CC1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 1857764391 MCTKZVHBDQBBTE-OWOJBTEDSA-N 446.982 4.814 10 1 IJCF C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 101428251 MMPODADSKBDMPK-MDLVQSFPSA-N 438.542 4.738 10 1 IJCF CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(OC)cc2)cc1 95588685 MBEJBOCHGXPBEU-UHFFFAOYSA-N 445.610 4.702 10 1 IJCF COc1ccc2c(c1OC)[C@H](c1c(O)ccc(Cl)c1Br)N(C)[C@H](C)C2 962568065 KVEVRKARFRGXEF-MLCYQJTMSA-N 426.738 4.791 10 1 IJCF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2Cc1ccc(C(F)(F)F)cc1 299830627 OLOMXPMYNQXMPO-UHFFFAOYSA-N 433.385 4.844 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 587828217 MWBBHFJVGPCNJB-XMHCIUCPSA-N 444.300 4.938 10 1 IJCF O=C1N=C(NCCc2ccc(Br)cc2)S/C1=C\c1ccc2ncccc2c1 28821291 AZRZKTBHXBHQRK-UYRXBGFRSA-N 438.350 4.800 10 1 IJCF Cc1ccccc1C=C1C(=O)N(CCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O 71318375 IVRBQQSJWVXPQP-UHFFFAOYSA-N 438.527 4.655 10 1 IJCF COc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587682492 ZJRLIOQNXDKFMC-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC 13760857 DOKVQAIXMDCDFS-QFIPXVFZSA-N 449.547 4.508 10 1 IJCF Cc1cc(C)c2c(c1O)[C@H](NCCN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26148648 RIPLZLORYZEKLH-DEOSSOPVSA-N 428.020 4.698 10 1 IJCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1cc(Br)ccc1O 28009728 XKTYQIMDYOETAX-UHFFFAOYSA-N 428.282 4.603 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2O)N1 587718834 OLUYPKNLQWJLNR-MLXNANBUSA-N 433.090 4.819 10 1 IJCF Cc1nc(-c2cccnc2)sc1C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295513 VJATZUYJQRVTHM-HXUWFJFHSA-N 441.516 4.606 10 1 IJCF C[C@]1(c2cc(F)cc([N+](=O)[O-])c2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817419 MRXFGAWVCIAWLW-RUZDIDTESA-N 447.466 4.909 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587764051 BQOHUKSCDMBUQV-JLCFBVMHSA-N 433.365 4.903 10 1 IJCF Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587680714 PTSKILLLLICFFX-JDNHERCYSA-N 429.127 4.988 10 1 IJCF CC(C)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587764887 HDZORZXMLDVXNO-HJPURHCSSA-N 446.408 4.742 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587793659 SCPDGGCEBXAISJ-ODXCJYRJSA-N 431.349 4.616 10 1 IJCF Cc1cc2c(c(=O)n1Cc1c[nH]c3ccccc13)CN1CCc3c([nH]c4ccccc34)[C@@H]1C2 2356284155 PXIIMPOLANUZMT-SANMLTNESA-N 434.543 4.823 10 1 IJCF CCCCCc1cc(CC[C@@H]2C[C@@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356556709 LMFOOICIYWILJW-TXTKFYIRSA-N 430.541 4.759 10 1 IJCF O=C1C[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587502194 ILAMUURVTGFYPA-VWLOTQADSA-N 449.434 4.933 10 1 IJCF COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4cc(Br)c(OC)cc14)[C@@H](C2)C3=O 587417037 HTBXFDUKTGFQFU-FPTDNZKUSA-N 442.309 4.755 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587698349 PVJUTWHPADLZDM-WNWIJWBNSA-N 429.673 4.653 10 1 IJCF COc1ccc(-c2ccc(CCC(=O)O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)cc1 587946562 WHZMZZHWWVDILE-NRFANRHFSA-N 430.407 4.803 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Br)N1 587679030 PKFWVQVKPIMEHH-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764298 DFHXHZDAMAABJA-FPTDNZKUSA-N 433.365 4.687 10 1 IJCF Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149934764 PLOKYDNRUNSGHS-KRWDZBQOSA-N 431.536 4.867 10 1 IJCF CC[C@@H](N=[N+]=[N-])[C@@H](O)[C@]1(Br)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 28822310 UAPYDHGDPWJEET-TZYVJGCXSA-N 443.345 4.915 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c21 587077775 ZUAYFMMXDHCPIB-LJQANCHMSA-N 427.847 4.609 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587789883 GEBUIBUJTXBKLJ-YUNKPMOVSA-N 431.349 4.616 10 1 IJCF Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823805 WGKPOTUDFIZLOZ-YEJXKQKISA-N 436.321 4.553 10 1 IJCF CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OCCN)c(C)c1 16052613 CKBBGCJYKCLKHE-UHFFFAOYSA-N 445.991 4.936 10 1 IJCF in-vivo C/C(=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O 14680352 WCDJIWAYGSJPBT-LDEBPVJWSA-N 442.508 4.646 10 1 IJCF O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 1911578944 BMGOGFGEXLOSKH-DHDCSXOGSA-N 439.436 4.685 10 1 IJCF O=C1N=C(N(c2ccccc2)c2ccccc2)S/C1=C/c1ccc(N2CCNCC2)cc1 206111288 RCUFSDLHRBAXSY-LYBHJNIJSA-N 440.572 4.905 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834763 SQCWSEHUPFHFDK-FIKIJFGZSA-N 436.321 4.641 10 1 IJCF O=C(O)c1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O 40865462 NAHHGABJJJVZNP-AUWJEWJLSA-N 425.409 4.515 10 1 IJCF O=C(Nc1ccc(CC[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1cc(F)cc(F)c1 1857644873 FWVTVEQWCYRHGR-JIYSSPMYSA-N 443.471 4.590 10 1 IJCF COc1c(Cl)c(C)c(Cl)c(O)c1[C@H]1NC(=O)c2c(O)cc(O)c(CC=C(C)C)c21 40896672 IFONQCDBHMGEFN-SFHVURJKSA-N 438.307 4.769 10 1 IJCF biogenic O=C(c1cccc(C(F)(F)F)c1F)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294660 FXGFLCBREGNIRY-SFHVURJKSA-N 429.373 4.937 10 1 IJCF COc1cc([C@H](CCC(C)C)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)ccc1O 85626295 QCUJUMBWCONHDT-UYAOXDASSA-N 430.541 4.675 10 1 IJCF biogenic,in-vitro CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\c1ccc(-c2cccc3c2C(=O)CC3)o1 1857604683 WVKXEQSCENBOJL-BOPFTXTBSA-N 434.398 4.865 10 1 IJCF COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc1Br 1857755973 AONMZIHFWFPMSY-ZROIWOOFSA-N 439.231 4.802 10 1 IJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)ccc1C(=O)O 219896720 CKLFARXNKDBTOE-OAQYLSRUSA-N 446.503 4.510 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 587820961 GEXKEFCRGYWWFX-MCMMXHMISA-N 428.301 4.826 10 1 IJCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(CN4CCOCC4)cc3)c(C)c1C(=O)C2=O 1857628871 RUEULZNGJZLPLJ-UHFFFAOYSA-N 444.531 4.695 10 1 IJCF COc1ccc(Br)c(C[C@H]2c3c(O)ccc(Br)c3CCN2C)c1 13805170 IQBSBUKJNHJCGU-INIZCTEOSA-N 441.163 4.698 10 1 IJCF COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(=N)C(Cl)=C3O)c2nc3ccccc3c-2c1C 101034748 DITQFSCSEFVGSB-UHFFFAOYSA-N 446.850 4.506 10 1 IJCF COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 102193251 GVQHIWSHRJZAKW-UHFFFAOYSA-N 436.493 4.681 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587747909 SSIXWIMSGYOBCT-WLRWDXFRSA-N 432.297 4.635 10 1 IJCF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](C)(c1sccc1O)N2C(=O)OC(C)(C)C 962704816 HPRPPVODSVKGRJ-XZOQPEGZSA-N 447.528 4.508 10 1 IJCF C/C(=C\Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O 14615808 CCNNANWAOVGRMQ-LDEBPVJWSA-N 442.508 4.646 10 1 IJCF O=C(NCCc1ccc(O)c(O)c1)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 113185410 NEOXEHZXYBCPRQ-LYBIEXDWSA-N 425.956 4.948 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc21 587127033 KYGRBKBPPPNMKO-UHFFFAOYSA-N 448.360 4.780 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587744013 YNGCAIWFFGNVIS-XMHCIUCPSA-N 447.348 4.521 10 1 IJCF Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823806 WGKPOTUDFIZLOZ-ZSEKCTLFSA-N 436.321 4.553 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587839296 RCJVKTLHXLFION-KPWVOAKYSA-N 442.284 4.931 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(F)c2O)N1 587720530 NJAKVIHDXOBFKO-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764301 DFHXHZDAMAABJA-RCDICMHDSA-N 433.365 4.687 10 1 IJCF COc1ccc(C[C@]2(c3ccc(O)cc3O)c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963103388 LEASMNXJUHJTKQ-PPHZAIPVSA-N 449.522 4.761 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(O)c32)N1 587687584 VLRAYQVPPYMWAM-DYBLOJMWSA-N 441.138 4.780 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772274 ZMDQPZHJILVJIL-YEJXKQKISA-N 447.348 4.513 10 1 IJCF COc1ccc(N2CCN(CCCCCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 13586553 IFTRKYHKXORNDG-AREMUKBSSA-N 435.612 4.571 10 1 IJCF CCn1c2ccc([C@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1c-4cnn1C)C(=O)NC3 49110165 BUCPADLKYCJDQE-JOCHJYFZSA-N 440.547 4.799 10 1 IJCF O=C(c1ccc(F)cc1C(F)(F)F)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294246 XABDVGMMNSRCQT-LJQANCHMSA-N 429.373 4.937 10 1 IJCF CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O 84689975 ZASRCJJQHPCHMP-ZDUSSCGKSA-N 434.872 4.509 10 1 IJCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(Br)cc2F)N1 587720174 MUWLZNAEIXWTOD-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF O=C(Nc1cccc(N2CCc3c(cnc4ccnn34)C2)c1)c1cccc(C(F)(F)F)c1 1772655814 KZJANSGXJKRYNR-UHFFFAOYSA-N 437.425 4.563 10 1 IJCF O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21 95576981 SIRXSEBHGHTHGO-UHFFFAOYSA-N 427.275 4.787 10 1 IJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CN2CCCCC2)c1 587596208 RIHRAEPSIYLPNQ-JYFHCDHNSA-N 431.488 4.787 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Br)N1 587679032 PKFWVQVKPIMEHH-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF NC(=O)c1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2O)cc1 617978376 XQGUFLYHNDVLON-UHFFFAOYSA-N 428.408 4.667 10 1 IJCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)CC2=O 587487315 UZXWHZMIHXNFCM-WYQLOTSKSA-N 433.504 4.764 10 1 IJCF COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587684142 YGKSPLWTJHUNDN-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF Cc1c(Cl)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] 587695801 SCEJBVZAPSVNDJ-DCXZOGHSSA-N 443.700 4.962 10 1 IJCF O=C1C[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587529606 BMZCEBPSIVTLMA-MHZLTWQESA-N 442.467 4.976 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 587698446 VHNXOXXWGJGLSA-YUNKPMOVSA-N 439.756 4.702 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Br)cc2F)N1 587720657 NTVASICKHSANAM-GYKQLYQFSA-N 433.090 4.819 10 1 IJCF CC(=O)N(c1ccc(Nc2c3cccc(C)c3nc3c(C)c(N)ccc23)cc1)S(C)(=O)=O 26839601 UEEALXSHXIJLMF-UHFFFAOYSA-N 448.548 4.643 10 1 IJCF COc1cc([C@@H](CCC(C)C)CC(=O)C[C@@H](O)CCc2ccc(O)c(O)c2)ccc1O 2356368487 QCUJUMBWCONHDT-ICSRJNTNSA-N 430.541 4.675 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)O2 587390884 SHJMFBQXRQZKFO-HJPURHCSSA-N 434.492 4.543 10 1 IJCF CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694945 INDUFHAMVDIRHN-OVWNDWIMSA-N 426.713 4.704 10 1 IJCF COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 13764512 YIDDBTYWZHOSLL-UHFFFAOYSA-N 429.564 4.550 10 1 IJCF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(F)cc2O)N1c1cccc(F)c1 29129235 ADWUPXKDZAKHKM-YMPZKCBVSA-N 425.431 4.731 10 1 IJCF CC(C)(C)c1cc(O)c(O)c([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925822 RBLAAQYWVWAWCJ-GMAHTHKFSA-N 449.503 4.582 10 1 IJCF CCOC(=O)c1cc2cc(F)ccc2n1Cc1cc(CN2CCCC2)c(O)c2ncccc12 1857643537 GQHITOCHUZMACG-UHFFFAOYSA-N 447.510 4.855 10 1 IJCF C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587524433 QNRKLNDVKRJNTH-FSKFMFSLSA-N 429.516 4.984 10 1 IJCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 587536526 VCWRFVYYXIDERT-SQHAQQRYSA-N 442.467 4.540 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2O)N1 587682673 UXOCJHXTIIAODT-XYZCENFISA-N 429.127 4.854 10 1 IJCF CC(C)(C)n1cc([C@@]2(c3ccc4ccccc4c3O)NCCc3c(C(=O)O)cccc32)cn1 963120901 HRYSFQPYZUVTKH-HHHXNRCGSA-N 441.531 4.633 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2O)N1 587677167 HBEAIGYGPRQJHI-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766975 POTCGKQYBJFAIT-FPTDNZKUSA-N 432.381 4.958 10 1 IJCF COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 72119901 SPCNKUVPDBVYLN-DNQXCXABSA-N 432.520 4.650 10 1 IJCF CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 95586027 SLKSBTBCUUFNIQ-UHFFFAOYSA-N 428.554 4.526 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587764932 ALQKHNUDYXWAKP-ZSEKCTLFSA-N 447.348 4.513 10 1 IJCF Cc1c(Cl)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] 587695799 SCEJBVZAPSVNDJ-ASCAZGACSA-N 443.700 4.962 10 1 IJCF Cc1cc2c(c(=O)n1Cc1c[nH]c3ccccc13)CN1CCc3c([nH]c4ccccc34)[C@H]1C2 2356284154 PXIIMPOLANUZMT-AREMUKBSSA-N 434.543 4.823 10 1 IJCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2 2356629513 IEODVJYQTXSRDV-CJKSILLISA-N 440.492 4.582 10 1 IJCF CC(C)(C)c1cc(/C=C(/C(=O)O)c2cc(O)c(O)cc2C(=O)O)cc(C(C)(C)C)c1O 96921733 RGQGZYMZKLUPJT-VGOFMYFVSA-N 428.481 4.722 10 1 IJCF Cc1ccc2[nH]c(O)c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 253977866 SBXQVEJEKABLDN-UHFFFAOYSA-N 440.506 4.968 10 1 IJCF COc1cc2c3c(c1)OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587430557 VQDQJRXMXYWXPH-QHCPKHFHSA-N 428.532 4.518 10 1 IJCF CO[C@H]1C=C[C@@](CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)(OC)O1 53313163 OIPPCKROLJKWIL-KBMIEXCESA-N 429.476 4.870 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587277380 VCYBTZKAQWFOQM-RWSFTLGLSA-N 444.264 4.903 10 1 IJCF Oc1ccc2c(c1)[C@@]1(C=C(c3ccc(O)c(O)c3)O2)c2c(F)cccc2C[C@@H]2CCCN21 963098575 GPCORMKTIVFJRB-QLXKLKPCSA-N 431.463 4.640 10 1 IJCF COc1cc(-c2nc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccn23)cc(OC)c1OC 72108179 KTVAGMVSCBLACO-OBGWFSINSA-N 441.487 4.544 10 1 IJCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2c(O)ccc3cc(Br)ccc23)N1 963230947 REIGUYWRFHNFQJ-SIKLNZKXSA-N 449.304 4.544 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587708316 AWVTUFRWMWDCQE-VOJFVSQTSA-N 431.271 4.994 10 1 IJCF COc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587682494 ZJRLIOQNXDKFMC-VPTHRUTESA-N 445.126 4.689 10 1 IJCF COc1ccc(C[C@@]2(c3ccc(O)cc3O)c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963103393 LEASMNXJUHJTKQ-UZTOHYMASA-N 449.522 4.761 10 1 IJCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccccc2)(c2cc(Cl)cc(Cl)c2O)N1 962903241 UDRRJSOYWROLEN-PGRDOPGGSA-N 432.278 4.729 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276380 KWYVABKGPCWWIY-STSQHVNTSA-N 433.512 4.546 10 1 IJCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587675312 AZOPKNBKAZFKRT-QPFGOUBPSA-N 445.126 4.689 10 1 IJCF CC(C)(C)c1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 53314944 CCGZCYDVCURNBK-UHFFFAOYSA-N 442.515 4.905 10 1 IJCF CCOc1cccc2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)oc12 71280562 RYVYKTUEZLLCFU-FQEVSTJZSA-N 427.460 4.924 10 1 IJCF O=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295601 ILBQALSZULTGSU-FQEVSTJZSA-N 439.500 4.641 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@H]1CC=C[C@H]21 587272242 QNGQOOAUEUUSJQ-PRXAMGSTSA-N 426.274 4.764 10 1 IJCF COc1cc(O)c(O)c2c1C(=O)O[C@H]2CCCCCCCCCC(=O)CCC[C@@H](C)O 2356438284 ZAVRTFLOAAMFDU-APWZRJJASA-N 436.545 4.949 10 1 IJCF Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccncc2)cc1 299836962 IZCSCTFMBMVXPC-HXUWFJFHSA-N 436.309 4.850 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(Br)cc2F)N1 587720177 MUWLZNAEIXWTOD-RBHXEPJQSA-N 447.117 4.993 10 1 IJCF Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+](=O)[O-])cc2)cc1 66077483 FVZNMXVMBVYCQN-UHFFFAOYSA-N 444.451 4.664 10 1 IJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C(C)C)c3)cc2)c1O 103266570 SMFFPQDLUGWSOM-UHFFFAOYSA-N 426.538 4.937 10 1 IJCF COc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587679045 PUMGDYLPGLBSJB-VPTHRUTESA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587714744 ASEHAYCJPFZTIP-VVVCHXIZSA-N 434.227 4.990 10 1 IJCF CC(C)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767488 RAGZRBDEPXXDSI-MWTRTKDXSA-N 446.408 4.742 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587753823 JUTNSVSRRZEEKP-VERVWZFWSA-N 445.332 4.648 10 1 IJCF Cc1cc2c(cc1C)-c1oc(CN3CCN(Cc4ccccc4)CC3)c(C)c1C(=O)C2=O 1857750009 LYUBNNPNNAFOHN-UHFFFAOYSA-N 428.532 4.569 10 1 IJCF COc1ccc2c(c1OC)[C@@H](c1c(O)ccc(Cl)c1Br)N(C)[C@H](C)C2 962568060 KVEVRKARFRGXEF-MGNBDDOMSA-N 426.738 4.791 10 1 IJCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc(Br)cc(Cl)c1O 963642676 ZCNFADNRTLDWBJ-GIGQVBGESA-N 426.738 4.623 10 1 IJCF Cc1cccc2c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 253995066 KZNQSXGDSPLHFF-UHFFFAOYSA-N 440.506 4.968 10 1 IJCF COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587673276 LXUGUVKILNAMLR-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Br)N1 587675305 AVUXBSXQYWUZRM-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF CCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 169318138 WSOAWSZFPLLEFT-UHFFFAOYSA-N 437.521 4.910 10 1 IJCF COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587673278 LXUGUVKILNAMLR-ZKANADHPSA-N 445.126 4.689 10 1 IJCF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(N3CCN(C4CCC4)CC3)cc12 1772614452 ZMNJYLKBNBDEIH-QFQXNSOFSA-N 431.580 4.932 10 1 IJCF Cc1oncc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149644803 XRGKHMQLVQFBSA-GOSISDBHSA-N 445.563 4.737 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2O)N1 587682660 UXIWZLKZYHHSKP-XYZCENFISA-N 429.127 4.854 10 1 IJCF O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3ccccc3)ccc(O)c12 28641472 TYKGZHMHQFSJBQ-UHFFFAOYSA-N 427.865 4.620 10 1 IJCF CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C 82177913 YLUXCLRQMLEFLH-NRFANRHFSA-N 447.631 4.646 10 1 IJCF O=C(C[C@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(Cl)cc1 100703199 DSMOVXIWDAJNGB-INRROWENSA-N 427.873 4.637 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766978 POTCGKQYBJFAIT-RCDICMHDSA-N 432.381 4.958 10 1 IJCF CC(C)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587764891 HDZORZXMLDVXNO-QMHKHESXSA-N 446.408 4.742 10 1 IJCF COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)NCc3ccccc3)c2c1 26637690 OTXFORIDNRCPAX-UHFFFAOYSA-N 434.927 4.961 10 1 IJCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579131 YXFCSDFGPDJWCA-OFNKIYASSA-N 430.420 4.518 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744009 YNGCAIWFFGNVIS-MCMMXHMISA-N 447.348 4.521 10 1 IJCF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 2934397 BNDCGTJBCUFNCG-CYFREDJKSA-N 436.895 4.757 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Br)c2O)N1 587729630 WIDDWSIIGJWCAH-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF CC(C)(C)n1cc([C@]2(c3ccc4ccccc4c3O)NCCc3c(C(=O)O)cccc32)cn1 963120904 HRYSFQPYZUVTKH-MHZLTWQESA-N 441.531 4.633 10 1 IJCF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(N2CCOCC2)cc1Cl 963282855 ZEKKGJATLLEDGR-NRFANRHFSA-N 435.793 4.691 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275791 GPIQPJNURQKDEY-KIMHZCHSSA-N 430.443 4.931 10 1 IJCF CC(=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O 2356509833 CCNNANWAOVGRMQ-OAQYLSRUSA-N 442.508 4.646 10 1 IJCF COc1cc(COc2cc3ccccc3cc2/C=C2\SC(=S)NC2=O)cc(OC)c1 36184608 UWOXAEQINQFLBH-NHDPSOOVSA-N 437.542 4.925 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587692638 BQRZILYSRSYHQF-QPFGOUBPSA-N 429.673 4.653 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772272 ZMDQPZHJILVJIL-ASSNKEHSSA-N 447.348 4.513 10 1 IJCF CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772615047 RDRWQCHQPJODOS-GEBKJHSDSA-N 428.579 4.606 10 1 IJCF O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 40938184 SZOVZCFAFBBGEL-KGENOOAVSA-N 438.405 4.746 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(O)c32)N1 587684845 PYFBLFMICCCLFB-LZVRBXCZSA-N 441.138 4.780 10 1 IJCF COc1cc2c(cc1OC)[C@@](COc1cccc(C)c1)(c1ccc(O)cc1O)N(C)[C@@H](C)C2 962619653 FETDTXFEHYAMKT-XRHLQHRESA-N 449.547 4.622 10 1 IJCF COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC 13760858 DOKVQAIXMDCDFS-JOCHJYFZSA-N 449.547 4.508 10 1 IJCF Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587680712 PTSKILLLLICFFX-ABKXIKBNSA-N 429.127 4.988 10 1 IJCF COc1cc2c(cc1OC)[C@@](COc1cccc(C)c1)(c1ccc(O)cc1O)N(C)[C@H](C)C2 962619649 FETDTXFEHYAMKT-DNOBIOAJSA-N 449.547 4.622 10 1 IJCF CC(=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O 2356531338 WCDJIWAYGSJPBT-OAQYLSRUSA-N 442.508 4.646 10 1 IJCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CCCC3)cc2n1CC(F)(F)F 205533354 QWFRPPGNFUITAQ-UHFFFAOYSA-N 427.430 4.857 10 1 IJCF CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O 26837045 MYLKFDPMEKUWQM-UHFFFAOYSA-N 448.548 4.807 10 1 IJCF O=[N+]([O-])c1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@@](O)(C(F)(F)F)C2)cc1 28568393 SBKUKULJKWRRLF-SFHVURJKSA-N 436.777 4.662 10 1 IJCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123207 YZKRUTAMNGCIOQ-UHFFFAOYSA-N 431.772 4.533 10 1 IJCF in-vivo Cc1csc([C@](O)(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)F)n1 587093775 GPYWSRRGYCNWCV-LJQANCHMSA-N 434.443 4.695 10 1 IJCF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587149678 PKRUUVHQYSCSIS-UHFFFAOYSA-N 440.409 4.684 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(F)c2O)N1 587715327 CGCXYTJFJOEPEI-CQLKUDPESA-N 447.117 4.993 10 1 IJCF COc1ccc(N2CCN(C[C@H](OC(=O)c3cccc(C)c3)c3ccccc3)CC2)cc1 1857755608 NZQAJNDDAANMHG-SANMLTNESA-N 430.548 4.724 10 1 IJCF CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccc(Br)cc1 29060874 ZNSHYJCNZQBCKE-VHEBQXMUSA-N 438.281 4.986 10 1 IJCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579129 YXFCSDFGPDJWCA-NFBKMPQASA-N 430.420 4.518 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 587709765 NVZGCYMVHWPVPM-ADLMAVQZSA-N 431.271 4.994 10 1 IJCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 96934482 NNNRBILAJMIHQJ-CUBQBAPOSA-N 433.463 4.945 10 1 IJCF Fc1cccc2c1[C@@H](c1ccc(N3CCOCC3)c(Br)c1)N1CCC[C@H]1C2 963113670 ZGNQVAAEMAKBRL-HTAPYJJXSA-N 431.349 4.535 10 1 IJCF CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772637743 AFYUULDNTWLVOD-DFBJGRDBSA-N 437.584 4.855 10 1 IJCF CCCCCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587192953 MKGBMFKSUJZDKT-UHFFFAOYSA-N 432.362 4.990 10 1 IJCF CC(=O)C[C@]1(c2ccccc2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832129 LPGCWQHWEHEPBB-HHHXNRCGSA-N 426.516 4.821 10 1 IJCF Cc1c(C(=O)CC(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40405984 IPKFVMVQPMZDFF-UHFFFAOYSA-N 430.957 4.982 10 1 IJCF Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)C(C)(C)C3)cccc2n1 64573761 JQWQLAFJHNYDAM-UHFFFAOYSA-N 440.591 4.538 10 1 IJCF Cc1ccc([C@H](NC(=O)CNCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40899969 ASSYCVVNEVZBNE-DEOSSOPVSA-N 445.950 4.898 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 587828216 MWBBHFJVGPCNJB-WHEQGISXSA-N 444.300 4.938 10 1 IJCF Cc1ccnc2c1CCN[C@H]2c1cc(C)n(-c2ccc(I)cc2)c1C 963070227 FYBRAIOZVKGQEU-NRFANRHFSA-N 443.332 4.637 10 1 IJCF COc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(O)c1O 587784868 DYNUSHNIYOOKPI-NSCUHMNNSA-N 445.191 4.814 10 1 IJCF CN(C)CCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 26944043 BIJBBQOFQUEJCL-UHFFFAOYSA-N 428.536 4.904 10 1 IJCF COc1cc(N(C)Cc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC 36338680 GKCPAHKDKQGDPA-BUHFOSPRSA-N 447.535 4.583 10 1 IJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@@H](c3ccccc3C(=O)O)C2)ccc1C(=O)O 219903410 RFCSRXKNFAXUOH-LJQANCHMSA-N 446.503 4.510 10 1 IJCF O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174482 AODKDARMQYVHMZ-UYRXBGFRSA-N 432.376 4.782 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc4[nH]cc(Br)c34)[nH]c21 587003937 PPQKCIONCMFQSN-UHFFFAOYSA-N 443.260 4.644 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)c(N)ccc12 26848532 XWATUSWBDCKZMT-UHFFFAOYSA-N 436.537 4.711 10 1 IJCF CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)c(C)c1 84614477 XIUOXPBKNJHVOF-UHFFFAOYSA-N 428.492 4.614 10 1 IJCF O=C1NC(=S)NC(=O)C1=Cc1cc(C2CC2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 169323970 KNGBIZSIVMXNBD-UHFFFAOYSA-N 447.947 4.589 10 1 IJCF O=C(c1cc(F)cc(C(F)(F)F)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71282279 DXTJGSQKTCJUPA-IBGZPJMESA-N 429.373 4.937 10 1 IJCF CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587275274 AZMCQDLFQUZDMK-YGKZAACZSA-N 432.480 4.712 10 1 IJCF O=C1NC(=S)S/C1=C\c1ccc(OCCOc2ccc(Cl)cc2Cl)cc1 103274373 OYQODRPHKDMRFX-SXGWCWSVSA-N 426.346 4.940 10 1 IJCF O=C(C[C@@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(Cl)cc1 617989196 DSMOVXIWDAJNGB-AWEZNQCLSA-N 427.873 4.637 10 1 IJCF Oc1cc2c(cc1O)[C@@H](c1ccccc1)N(C(=S)NCCc1ccc(Cl)cc1)CC2 1857601302 WZUPRTOAYRBQAC-HSZRJFAPSA-N 438.980 4.816 10 1 IJCF CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772597730 HUQHSNCKQRZNKK-CYFREDJKSA-N 425.573 4.854 10 1 IJCF O=C(CCSC(=S)NCc1cccnc1)c1cn(-c2ccccc2)c2ncccc12 1857613291 CPQVFNFTFKFEQS-UHFFFAOYSA-N 432.574 4.801 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 587276377 KWYVABKGPCWWIY-BSRJHKFKSA-N 433.512 4.546 10 1 IJCF Cc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587676675 IKFDUOALLYEJNB-FVMDXXJSSA-N 429.127 4.988 10 1 IJCF CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3C)cc2)cc1 84597136 HKSBDJFSUUQAAU-UHFFFAOYSA-N 428.492 4.614 10 1 IJCF O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)OCO4)CC2)[C@@H]1c1ccc(F)cc1 587337882 BTYNDAJMEPDDOQ-XMMPIXPASA-N 447.462 4.658 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2O)(c2ccccc2O)N1 587832670 KWNFFETVHHPXON-CYBMUJFWSA-N 428.301 4.826 10 1 IJCF Cc1cc2c(cc1C)-c1oc(CN3CCN(c4ccc(F)cc4)CC3)c(C)c1C(=O)C2=O 1857749943 PXYCJEPIYXOULK-UHFFFAOYSA-N 432.495 4.712 10 1 IJCF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)Cc1cc[nH]c1 149639099 GNWDDVFLYOPGTQ-HXUWFJFHSA-N 443.591 4.697 10 1 IJCF CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963578629 GSMRFYVXVLEGQU-RCDICMHDSA-N 438.490 4.596 10 1 IJCF CCCCC[C@H](OCCCC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 84688529 HSMFYICJNKZPHP-SFHVURJKSA-N 428.481 4.723 10 1 IJCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 587822627 PUAKKYFUHKKUTI-VERVWZFWSA-N 444.300 4.531 10 1 IJCF CCCCC[C@@H](CC(=O)C[C@H](O)CCc1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 2356367435 CUKAXRFUUWCENR-AZUAARDMSA-N 430.541 4.819 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587272425 SDSXPFAHARWNTN-PEBVRCNWSA-N 426.274 4.764 10 1 IJCF COc1ccc([C@@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1OC 17360758 JVQDKPGGCMHFRG-OAQYLSRUSA-N 449.894 4.525 10 3 IJCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc(Br)cc(Cl)c1O 963642672 ZCNFADNRTLDWBJ-DGIBIBHMSA-N 426.738 4.623 10 1 IJCF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586915262 BRSZPRREXFADCE-WINIVTDRSA-N 436.467 4.555 10 1 IJCF COc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(O)c1O 587784950 GAFKROWVCWCTNZ-DJWKRKHSSA-N 429.192 4.934 10 1 IJCF COc1ccc([C@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)cc1 1857607301 PYQFDJSFSJEIAT-NRFANRHFSA-N 432.520 4.821 10 1 IJCF O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 299835292 DAHBHGNHDHBYEH-WQZBXLAZSA-N 448.950 4.698 10 1 IJCF COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O 587787085 ZFHDUVPKDXDGAB-IHWYPQMZSA-N 445.191 4.814 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(CC(=O)N3CCCC[C@H]3C)c3ccccc13)O2 587392605 CAHPOXOURDEWHK-OSPHWJPCSA-N 445.563 4.948 10 1 IJCF COc1ccc(CCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c1 587929535 WHESALGXIAQVRY-UHFFFAOYSA-N 426.472 4.531 10 1 IJCF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Cl)c2O)N1C(=O)c1ccccc1 963448247 NCOKKWWBMIDPAP-RBBKRZOGSA-N 446.890 4.768 10 1 IJCF COc1cc(N(C(C)=O)S(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12 26837825 PTMGJFHXKCIHFG-UHFFFAOYSA-N 449.532 4.761 10 1 IJCF COc1ccc(N2CCN(Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CC2)cc1 73219570 CTRYPUGODHJJOD-UHFFFAOYSA-N 441.984 4.546 10 1 IJCF Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@@H]2CC[C@H](N(C)C)[C@H](C)O2)c1O)C3=O 2356716729 WEGMUYMBGYFHLV-JBYOLUDKSA-N 445.515 4.505 10 1 IJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc5c(cc4C)OCCO5)c1C)[C@@H](C2)C3=O 587432620 XNVQWNUCPZSOOS-SIBVEZHUSA-N 431.488 4.671 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2O)N1 587676280 FPMSHLDWBWJUBQ-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF Cc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587681818 XXCXWEOAXPTIII-JDNHERCYSA-N 429.127 4.988 10 1 IJCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO[N+](=O)[O-])c4ccccc34)[C@@H]21 653819674 QCGJEDBXBXUNCP-XMMPIXPASA-N 448.523 4.557 10 1 IJCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 587536525 VCWRFVYYXIDERT-SHQCIBLASA-N 442.467 4.540 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 587828215 MWBBHFJVGPCNJB-MCMMXHMISA-N 444.300 4.938 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587692637 BQRZILYSRSYHQF-CQLKUDPESA-N 429.673 4.653 10 1 IJCF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587927662 SCXCJTABUCSNRF-OAHLLOKOSA-N 426.472 4.897 10 1 IJCF O=C(O)c1cccc2c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c(O)ccc12 13864578 DMLAURXFTZOAQZ-GHVJWSGMSA-N 438.417 4.765 10 1 IJCF CCOC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26841346 OUZJTVBYMOIFCQ-UHFFFAOYSA-N 435.505 4.680 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587837444 HAYYUETUVAZEKD-RKFFSXRUSA-N 442.284 4.931 10 1 IJCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCCCn3ccnc3)CCCC(C)(C)[C@@H]1CC2 1857568939 UZJHEOLYFSEVCJ-RXFWQSSRSA-N 439.600 4.635 10 1 IJCF O=C(c1ccc(C(F)(F)F)c(F)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71281286 ZTMVSRJEQFNODC-LJQANCHMSA-N 429.373 4.937 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587789880 GEBUIBUJTXBKLJ-ODXCJYRJSA-N 431.349 4.616 10 1 IJCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2c(O)ccc3cc(Br)ccc23)N1 963230946 REIGUYWRFHNFQJ-KNQAVFIVSA-N 449.304 4.544 10 1 IJCF Nc1ccc(NC(=O)c2cccnc2[S@@](=O)C(c2ccccc2)c2ccccc2)cc1 13605239 MGAFFMOBTACWFX-WJOKGBTCSA-N 427.529 4.813 10 1 IJCF O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O 299867653 QMKKGZORDAHOMB-HXUWFJFHSA-N 432.351 4.863 10 1 IJCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587530453 CDBAMOILOPLFMC-SXOMAYOGSA-N 442.467 4.697 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2O)N1 587677166 HBEAIGYGPRQJHI-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF CC(C)c1cccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)c1 53294278 MUBVPSJDBVKXNQ-UHFFFAOYSA-N 428.488 4.731 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2O)(c2ccccc2O)N1 587832975 LPUNWKZNVDIIQD-ZDUSSCGKSA-N 428.301 4.826 10 1 IJCF O=C(NCCc1ccc(O)c(O)c1)C12C[C@H]3C[C@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 113185412 NEOXEHZXYBCPRQ-RIZNVZOMSA-N 425.956 4.948 10 1 IJCF COc1cc(Br)cc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1O 963003923 DYFUDYSOTABNBR-LJQANCHMSA-N 431.355 4.768 10 1 IJCF CCOC(=O)[C@]12Cc3cc(N(C)C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 36382908 PRSVZSBIQGLSAC-NAKRPHOHSA-N 440.543 4.507 10 3 IJCF O=C(c1cncc(-c2cccs2)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294935 GWUQEBWTNKRESH-OAQYLSRUSA-N 426.501 4.902 10 1 IJCF COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587674471 WXLMSJXPEVCPAI-VPTHRUTESA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2O)N1 587675855 DGKMCZITULXVAK-VVVCHXIZSA-N 429.127 4.854 10 1 IJCF Cc1cccc2c(/N=N\C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 13148328 KZNQSXGDSPLHFF-FCQUAONHSA-N 440.506 4.968 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 587272648 XCTDDVHIXPBJKJ-WQGACYEGSA-N 426.274 4.764 10 1 IJCF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)Nc4ccc(N)cc4)cccc2-3)cc1 29038460 UMWVRSOGAPROHF-UHFFFAOYSA-N 425.448 4.523 10 1 IJCF COc1ccc(N(CCN2CCN(CCCc3ccccc3)CC2)Cc2ccccc2)cc1 22925649 HDPHOPOIGUJUKC-UHFFFAOYSA-N 443.635 4.952 10 1 IJCF O=C(CNC(=O)/C=C/c1ccccc1)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12 253978918 YDOBTTZJTDEKFH-LMBKIFAISA-N 438.487 4.835 10 1 IJCF aggregator Cc1cc(Br)ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586981827 URXISDWSFLNODH-UHFFFAOYSA-N 447.288 4.988 10 1 IJCF CCCCn1c2ccc(C(C)=O)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125356 PLMNGVCUUJEGFK-UHFFFAOYSA-N 426.520 4.540 10 1 IJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526285 QNRKLNDVKRJNTH-YQWWJHBHSA-N 429.516 4.984 10 1 IJCF O=C1C[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587529596 BMZCEBPSIVTLMA-HHHXNRCGSA-N 442.467 4.976 10 1 IJCF COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587678625 KSRNIZLLGQLADP-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699483 SOJOZDIONMBSDL-APBUJDDRSA-N 426.713 4.704 10 1 IJCF CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963578626 GSMRFYVXVLEGQU-JLCFBVMHSA-N 438.490 4.596 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(Br)ccc3Cl)[nH]c21 587005301 RWZKDAWCEPPZCH-UHFFFAOYSA-N 438.668 4.816 10 1 IJCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br 587677333 KLQBLIUMODUXHR-QPFGOUBPSA-N 445.126 4.689 10 1 IJCF CCC[S@](=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 1857612417 DNBQXSBMDAHGHH-NDEPHWFRSA-N 429.607 4.557 10 1 IJCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 2356629516 IEODVJYQTXSRDV-SICHLOQXSA-N 440.492 4.582 10 1 IJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCCCC2)cc1 72122676 GEYFNTCNCKLMSQ-UHFFFAOYSA-N 431.536 4.559 10 1 IJCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cc(Br)ccc1O 95558785 PQYBGUPUWLHXKF-MRXNPFEDSA-N 438.119 4.615 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c21 587006626 KORNUMUHYXYFLA-UHFFFAOYSA-N 443.260 4.644 10 1 IJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587675311 AZOPKNBKAZFKRT-CQLKUDPESA-N 445.126 4.689 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272208 PXBKBHJBIVDDNX-HSMVNMDESA-N 426.274 4.764 10 1 IJCF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc2ccccc2cc1O 963151224 SLNVFDLCSJRQLC-HXOBKFHXSA-N 440.521 4.512 10 1 IJCF CC(C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C(F)(F)F)cc3)C2)cc1 1772635332 HLZGXJJEGZQHFX-HRAATJIYSA-N 436.474 4.871 10 1 IJCF COc1ccc(N2CCN(c3ncnc4scc(-c5ccc([N+](=O)[O-])cc5)c34)CC2)cc1 299828495 IPAQXGRDTHITOD-UHFFFAOYSA-N 447.520 4.602 10 1 IJCF CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587275271 AZMCQDLFQUZDMK-HKARXFIJSA-N 432.480 4.712 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 587834570 SFJWBRSTPQQTOQ-MCMMXHMISA-N 428.301 4.826 10 1 IJCF C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149978332 OPJHXKXWLDXHBQ-SIBVEZHUSA-N 434.580 4.826 10 1 IJCF CC(C)CCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587192930 KYULQRSGINUFET-UHFFFAOYSA-N 432.362 4.846 10 1 IJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938226 RBVWSBSYQGVNGC-UHFFFAOYSA-N 432.501 4.616 10 1 IJCF CCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1 1857607430 NEEIDIOWJUWJSA-NHCUHLMSSA-N 446.595 4.640 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2O)N1 587682658 UXIWZLKZYHHSKP-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF Cc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1-c1ccc2c[nH]nc2c1 1857603557 JXPRYTXEUFQTDP-UHFFFAOYSA-N 425.536 4.542 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587754639 ZPPAAZUZOFMQQZ-CFMSYZGJSA-N 431.261 4.979 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587821774 JYKFNXGTNJQXHE-IPQOISQHSA-N 444.300 4.531 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834078 PWLWAYCLNKRUGO-WSVYEEACSA-N 436.321 4.641 10 1 IJCF CCCN(CCCCCCNCCOc1ccccc1OC)CCc1ccc(O)c(O)c1 26718591 JWAHJPGSLCMRBJ-UHFFFAOYSA-N 444.616 4.590 10 1 IJCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@@H]1CCCO1 82186373 GSSRFSDLXTXOET-NRFANRHFSA-N 434.588 4.875 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(O)c32)N1 587684847 PYFBLFMICCCLFB-YYSFKGJASA-N 441.138 4.780 10 1 IJCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 101895419 SBXQVEJEKABLDN-GHVJWSGMSA-N 440.506 4.968 10 1 IJCF C[C@@H]1CCC[C@H](CO[C@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 254120823 RPBWERXPOMPCDJ-SRWBKTILSA-O 431.578 4.605 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587704386 SRMMLJVJXYZSJA-GIGQVBGESA-N 442.712 4.590 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(Br)cc2F)N1 587716179 DKIYUNVDIGZNKI-CQLKUDPESA-N 447.117 4.993 10 1 IJCF COc1cc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)n(C)c2cc1Br 587374926 ZZXUHPWNBZCQBW-IBGZPJMESA-N 429.314 4.855 10 1 IJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587677848 MCBPFFYWNMUZKE-RBHXEPJQSA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 587698443 VHNXOXXWGJGLSA-ODXCJYRJSA-N 439.756 4.702 10 1 IJCF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586939952 VKCMRLHHPBWPJC-OAHLLOKOSA-N 436.537 4.681 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Br)cc2F)N1 587720661 NTVASICKHSANAM-QZTNRIJFSA-N 433.090 4.819 10 1 IJCF O=C(Cn1c(-c2ccccn2)nc2ccccc21)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 617960074 PRSHRAIFVHEEHV-UHFFFAOYSA-N 441.407 4.504 10 1 IJCF Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccncc2)cc1 299836961 IZCSCTFMBMVXPC-FQEVSTJZSA-N 436.309 4.850 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@H]1CC=C[C@@H]21 587277162 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10 1 IJCF COc1ccc(C)cc1NCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587228709 GFODWSBEBBWYFX-UHFFFAOYSA-N 425.488 4.700 10 1 IJCF CC(=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)CCCC(C)(C)O 2356538616 LKKMBXHWLZIZLK-NRFANRHFSA-N 442.508 4.646 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587764930 ALQKHNUDYXWAKP-YEJXKQKISA-N 447.348 4.513 10 1 IJCF COc1ccc(C[C@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC 587927017 QQZHCRZLOYKXFI-AWEZNQCLSA-N 426.472 4.702 10 1 IJCF CN1CCN(c2ccccc2/C=C2/SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 11617004 LHYMPSWMHXUWSK-KGENOOAVSA-N 448.419 4.866 10 1 IJCF in-man Cc1ccc(CCNC[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 45484382 WTCCJXDMRSANGS-SANMLTNESA-N 430.592 4.520 10 1 IJCF COc1cc2c(cc1OC)[C@](COc1cccc(C)c1)(c1ccc(O)cc1O)N(C)[C@@H](C)C2 962619650 FETDTXFEHYAMKT-MYUZEXMDSA-N 449.547 4.622 10 1 IJCF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1Cl 963237764 UFVWRJPDCXLBOT-VWNXMTODSA-N 431.923 4.984 10 1 IJCF CCN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 13587759 STCLFNAVEWVKTF-LJAQVGFWSA-N 438.571 4.917 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Br)cc2F)N1 587720664 NTVASICKHSANAM-VGDKGRGNSA-N 433.090 4.819 10 1 IJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1O 103266519 SVSVMWNVBFHRDE-UHFFFAOYSA-N 434.517 4.967 10 3 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766952 PIQACFYOZCIYOM-JLCFBVMHSA-N 432.381 4.958 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2O)N1 587729492 VRHBLKZIBDFURJ-NZFNHWASSA-N 433.090 4.819 10 1 IJCF Oc1cc(F)cc(Br)c1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961611842 DRDZWFREBRLDFA-MRXNPFEDSA-N 427.111 4.824 10 1 IJCF COc1ccc(C2=C(C(=O)O)[C@H](c3ccc(O)c(O)c3)Oc3ccc(OC(C)C)cc32)cc1 13473396 VUICZVWTTJSTBJ-VWLOTQADSA-N 448.471 4.914 10 1 IJCF COC(=O)/C=C/c1ccc(NCc2cc(Br)cc(Br)c2O)cc1 653872520 PSCGMSAGWHAGJK-QPJJXVBHSA-N 441.119 4.716 10 1 IJCF Fc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(-c2ccncc2)c1 1857638114 KGKJLQCKUSDERN-OWOJBTEDSA-N 428.511 4.566 10 1 IJCF CCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12 13822679 OEJQJKXVRZUGEU-UHFFFAOYSA-N 444.480 4.856 10 1 IJCF Cc1cc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2O)ccc1[N+](=O)[O-] 28462613 CIMPSTYPBQXKGE-FARCUNLSSA-N 442.427 4.970 10 1 IJCF CCn1cc([C@H](NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c2cccnc2)cn1 72184543 UPFTXGRYTJLMHJ-JOCHJYFZSA-N 445.489 4.545 10 1 IJCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586948349 NUDWSPSCHGXICU-UHFFFAOYSA-N 436.518 4.584 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587839978 WFJKQQUREXNMSF-KPWVOAKYSA-N 442.284 4.931 10 1 IJCF CCN(CCCC[C@@H]1OC(=O)c2cc(OC)c(OC)cc21)Cc1ccc(N(C)C)cc1 1911572760 MZVGRLJNUKCJSR-QFIPXVFZSA-N 426.557 4.674 10 1 IJCF CCCCCCOc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(OC)c2c1=O 13822677 OOOYIZIAJSLTIT-UHFFFAOYSA-N 444.480 4.856 10 1 IJCF O=C(NCCc1ccc(O)c(O)c1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 34846070 NEOXEHZXYBCPRQ-FLCJAFJVSA-N 425.956 4.948 10 1 IJCF COc1ccccc1NC(=O)Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21 253986954 RQDAPUUNXMBTJD-UHFFFAOYSA-N 444.447 4.624 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749830 ZPIAQKWHHRSRGW-ODXCJYRJSA-N 434.309 4.720 10 1 IJCF CCOC(=O)Cc1c(-c2ccco2)c2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O 1857758678 IBGZHHFRHUPIEZ-UHFFFAOYSA-N 425.440 4.618 10 1 IJCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 96934484 NNNRBILAJMIHQJ-YWEHKCAJSA-N 433.463 4.945 10 1 IJCF CCN(CCCC[C@H]1OC(=O)c2cc(OC)c(OC)cc21)Cc1ccc(N(C)C)cc1 1911572759 MZVGRLJNUKCJSR-JOCHJYFZSA-N 426.557 4.674 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587744217 RARDHNAKAUFPPT-XUSGNXJCSA-N 435.337 4.830 10 1 IJCF CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 38839731 QMUBWWRYMZUVPL-UHFFFAOYSA-N 430.913 4.554 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587694795 AFEHFAMLMJYDIJ-GIGQVBGESA-N 442.712 4.590 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696026 OXLJDESCKNYGCR-FKIZINRSSA-N 439.756 4.702 10 1 IJCF Cc1ncccc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC(C)C)cc1 38657459 CWBAWOIXWPTTBS-UHFFFAOYSA-N 444.940 4.862 10 1 IJCF CC(=O)C[C@@]1(c2ccccc2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832130 LPGCWQHWEHEPBB-MHZLTWQESA-N 426.516 4.821 10 1 IJCF COc1ccc([C@]2(Cc3ccncc3)C(=O)c3ccc(O)cc3C2=O)cc1OC1CCCC1 13781563 FQSYKPNKZQUWSH-HHHXNRCGSA-N 443.499 4.677 10 1 IJCF Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587675689 ATKJOJWNGFOQQP-FVMDXXJSSA-N 429.127 4.988 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(O)c32)N1 587687586 VLRAYQVPPYMWAM-LZVRBXCZSA-N 441.138 4.780 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2O)N1 587714921 GMQKRTJMPGKBDP-HYORBCNSSA-N 433.090 4.819 10 1 IJCF C[C@H](NC(=O)Cc1cc[nH]c1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149976085 ITBMKWSVOGOQBJ-IBGZPJMESA-N 429.564 4.827 10 1 IJCF Oc1cc2c(cc1O)[C@H](c1ccccc1)N(C(=S)NCCc1ccc(Cl)cc1)CC2 1857601303 WZUPRTOAYRBQAC-QHCPKHFHSA-N 438.980 4.816 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 587754642 ZPPAAZUZOFMQQZ-WVDJIFEKSA-N 431.261 4.979 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587744214 RARDHNAKAUFPPT-QKVFXAPYSA-N 435.337 4.830 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c21 587270450 YHGNSVHSWNEJHX-UHFFFAOYSA-N 438.443 4.514 10 1 IJCF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587766936 PBBWYCWEIWBOIJ-LRTDBIEQSA-N 447.348 4.599 10 1 IJCF O=C(C[C@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(Cl)cc1 617989197 DSMOVXIWDAJNGB-CQSZACIVSA-N 427.873 4.637 10 1 IJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1 587606668 FBPRPUYDFRXLCS-OZXSUGGESA-N 426.424 4.709 10 1 IJCF CCCCCCOc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(OC)c2c1=O 13822669 XCXIRTKHQVBVGK-UHFFFAOYSA-N 444.480 4.856 10 1 IJCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br 587677338 KLQBLIUMODUXHR-WNWIJWBNSA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2O)N1 587713967 DRAQRAYUXHSQKQ-CQLKUDPESA-N 447.117 4.993 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(F)c2O)N1 587715328 CGCXYTJFJOEPEI-QPFGOUBPSA-N 447.117 4.993 10 1 IJCF CCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 26940394 AKUPRYXQZYARQV-UHFFFAOYSA-N 437.521 4.910 10 1 IJCF O=C(O)CN1C(=O)/C(=C/c2ccc3cc(OCc4ccccc4)ccc3c2)SC1=S 98085201 KISAPJIKSXNLMG-JAIQZWGSSA-N 435.526 4.705 10 1 IJCF NC(=O)c1ccc(N=Nc2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 617978377 ZZBPNAOTUXEVLE-UHFFFAOYSA-N 428.408 4.667 10 1 IJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590644 ZNDBGMMHKUNBER-HXSQBNLGSA-N 443.499 4.790 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Br)N1 587675303 AVUXBSXQYWUZRM-HUTHGQBESA-N 429.127 4.854 10 1 IJCF CCOc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587348344 WITKNYJVCUHMNM-AOYPEHQESA-N 433.479 4.938 10 1 IJCF CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587387404 PPZYIGZWJNQXKF-HHHXNRCGSA-N 441.531 4.894 10 1 IJCF O=C(CCc1ccccc1)N[C@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O 1126002 BHZGOKGIULSJAS-XMMPIXPASA-N 426.472 4.508 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587834617 SOWROIICDGNVQI-SFDCACGMSA-N 438.296 4.664 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587820711 FATGWKGNJYRSEH-WHEQGISXSA-N 428.301 4.826 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587834615 SOWROIICDGNVQI-DAOPMYJZSA-N 438.296 4.664 10 1 IJCF O=C(CNC(=O)/C=C/c1ccccc1)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12 101719976 YDOBTTZJTDEKFH-CIFWIGJUSA-N 438.487 4.835 10 1 IJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587526276 QNRKLNDVKRJNTH-FGXABTBTSA-N 429.516 4.984 10 1 IJCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br 587677331 KLQBLIUMODUXHR-CQLKUDPESA-N 445.126 4.689 10 1 IJCF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](C)(c1sccc1O)N2C(=O)OC(C)(C)C 962704813 HPRPPVODSVKGRJ-DHIUTWEWSA-N 447.528 4.508 10 1 IJCF CCCCC[C@@H](CC(=O)C[C@@H](O)CCc1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 2356367436 CUKAXRFUUWCENR-ICSRJNTNSA-N 430.541 4.819 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 587272642 XCTDDVHIXPBJKJ-HSMVNMDESA-N 426.274 4.764 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749464 YFUZONLMQHVQAJ-FKIZINRSSA-N 434.309 4.720 10 1 IJCF CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C(=O)Nc2ccccc2)C1 45286095 FXNPEDAMRUWVAY-NTKDMRAZSA-N 442.563 4.519 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2O)N1 587729631 WIDDWSIIGJWCAH-MLXNANBUSA-N 433.090 4.819 10 1 IJCF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587766944 PFHSQHQRKYNHJX-LRTDBIEQSA-N 447.348 4.599 10 1 IJCF O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)OCO4)CC2)[C@H]1c1ccc(F)cc1 587337878 BTYNDAJMEPDDOQ-DEOSSOPVSA-N 447.462 4.658 10 1 IJCF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1O 28564582 JKMQBGLZDUBJJR-JWQCQUIFSA-N 436.571 4.621 10 1 IJCF O=C(CNCc1ccccc1)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40917828 BDBGRVUQOOZVBJ-HSZRJFAPSA-N 449.913 4.728 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764602 GHIHPMOPWNLXTJ-FPTDNZKUSA-N 433.365 4.687 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272428 SDSXPFAHARWNTN-QFSBIZTOSA-N 426.274 4.764 10 1 IJCF CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772585755 RDRWQCHQPJODOS-IZILLXMLSA-N 428.579 4.606 10 1 IJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c1C)[C@@H](C2)C3=O 587434520 WZFIXUCNHYTFBC-MHECFPHRSA-N 434.448 4.508 10 1 IJCF CCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 28888581 IHGCMGUMWNCGNH-RGEXLXHISA-N 432.567 4.612 10 1 IJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NC)c21 587469608 JHQADHKBUOFQCU-MHZLTWQESA-N 442.515 4.882 10 1 IJCF COc1ccc2c(c1OC)[C@@](c1cnn(C(C)(C)C)c1)(c1ccccc1O)N(C)[C@@H](C)C2 962618186 BQGWBUAMIHWGOS-MRDQGFSESA-N 435.568 4.529 10 1 IJCF COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2Cc2ccc(C)cc2)cc(OC)c1OC 29314875 GFDHUDSCKRXFJS-JOCHJYFZSA-N 449.547 4.774 10 1 IJCF CCOc1ccc(-n2c(O)c(C/N=N/c3nc(C)cc(C)n3)c3ccccc3c2=O)cc1 169690142 HQNCCMKETOHZPN-AZPGRJICSA-N 429.480 4.786 10 1 IJCF COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587674470 WXLMSJXPEVCPAI-PWJLMRLQSA-N 445.126 4.689 10 1 IJCF CN(Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1)C(=O)OC(C)(C)C 263620580 IWVJBZLBIWIKGF-UHFFFAOYSA-N 429.605 4.673 10 1 IJCF in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2O)N1 587682652 UXIWZLKZYHHSKP-HUTHGQBESA-N 429.127 4.854 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(OC)cccc12 27185225 QEEGFEPZHPAAER-UHFFFAOYSA-N 437.521 4.829 10 1 IJCF CN(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 45192836 QIMRZWDGNJUPNF-IBGZPJMESA-N 437.584 4.872 10 1 IJCF CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581901 XTXUWSYCENQUDL-RBJSKKJNSA-N 449.462 4.884 10 1 IJCF Cc1c(Cl)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] 587695802 SCEJBVZAPSVNDJ-NTCNTBNZSA-N 443.700 4.962 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Br)N1 587679034 PKFWVQVKPIMEHH-XYZCENFISA-N 429.127 4.854 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587830992 GROVJIMPOCLENN-SFDCACGMSA-N 438.296 4.664 10 1 IJCF Cc1oncc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149644642 XRGKHMQLVQFBSA-SFHVURJKSA-N 445.563 4.737 10 1 IJCF C[C@H](NC(=O)N1CCC1)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772628280 XUDDIMMJIOVNJC-DFBJGRDBSA-N 435.568 4.609 10 1 IJCF Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)Cc3ccc(Cl)cc3)NC2=O)cc1 64516588 HGZNJGZGKPSDHK-PXLXIMEGSA-N 429.907 4.552 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(F)c2O)N1 587717413 FZXWVOXKNBGVMR-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1Cl 963237762 UFVWRJPDCXLBOT-LADGPHEKSA-N 431.923 4.984 10 1 IJCF CCCCCCOc1cc(OC)c(OC)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12 13822675 AJVXLRUEXYVZSY-UHFFFAOYSA-N 430.453 4.553 10 1 IJCF Nc1ccc(CN2C(=O)[C@H](Cc3ccccc3)N=C(c3ccccn3)c3ccccc32)cc1 66099146 CRKNIASCQXTYHI-VWLOTQADSA-N 432.527 4.659 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587272210 PXBKBHJBIVDDNX-MKBNYLNASA-N 426.274 4.764 10 1 IJCF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1Cl 963237763 UFVWRJPDCXLBOT-UPVQGACJSA-N 431.923 4.984 10 1 IJCF Nc1ccc(Oc2ccc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c3c2)cc1 587260403 WTNKPMORQUAIEY-NRFANRHFSA-N 445.523 4.644 10 1 IJCF Cc1ccc2c3c(cc([C@H]4C(=O)c5cccc([N+](=O)[O-])c5C4=O)nc13)-c1ccccc1C2=O 587098278 PPARHFAQNWUIQW-QFIPXVFZSA-N 434.407 4.826 10 1 IJCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587834076 PWLWAYCLNKRUGO-WIUDPPPLSA-N 436.321 4.641 10 1 IJCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71340635 QPGIWMWTJYDFOF-HXUWFJFHSA-N 426.501 4.902 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587694793 AFEHFAMLMJYDIJ-APBUJDDRSA-N 442.712 4.590 10 1 IJCF Fc1cc(CNCCCCNCc2ccc(N3CCCC3)c(F)c2)ccc1N1CCCC1 1857572988 DVXIGVDMTJYXGH-UHFFFAOYSA-N 442.598 4.825 10 1 IJCF O=C1c2ccc(NC(=O)C3CCCC3)cc2C(=O)c2cc(NC(=O)C3CCCC3)ccc21 40934293 IYTIDEOSIOFBPE-UHFFFAOYSA-N 430.504 4.719 10 1 IJCF in-vivo CCn1c2ccc([C@@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1c-4cnn1C)C(=O)NC3 49110163 BUCPADLKYCJDQE-QFIPXVFZSA-N 440.547 4.799 10 1 IJCF c1ccc(CCn2c(-c3ccc(N4CCCC4)cc3)nc3c(NCC4CC4)ncnc32)nc1 82180870 SPNKNYPSIDBDKO-UHFFFAOYSA-N 439.567 4.553 10 1 IJCF Cc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)c(C)n1-c1ccccc1Br 963130555 JTSUYSHHJBDCRY-OAQYLSRUSA-N 425.326 4.790 10 1 IJCF COc1cc(C=Cc2cc3oc(-c4ccc(O)c(O)c4)c(C(C)=O)c3c(=O)o2)ccc1O 2356476899 LWDOBNFZTXHPQD-UHFFFAOYSA-N 434.400 4.551 10 1 IJCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br 587682437 YYXLWABLQWEMSL-RBHXEPJQSA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 587696563 PSSMUFCAUWNBHL-FKIZINRSSA-N 439.756 4.702 10 1 IJCF COc1ccc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 253982865 IVISIQXYYQBQCR-UHFFFAOYSA-N 431.905 4.532 10 3 IJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1 169318133 NWVMTMOEKGNPCS-UHFFFAOYSA-N 437.521 4.910 10 1 IJCF COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cccc(OC)c4O)C3)cc2)c1 12584345 BYUUJDOASIWKKZ-QFIPXVFZSA-N 446.547 4.927 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2O)(c2ccccc2O)N1 587832860 KWNFFETVHHPXON-ZDUSSCGKSA-N 428.301 4.826 10 1 IJCF COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(OC)c1Br 1857650140 RGWZZBGMEMOSCP-OVCLIPMQSA-N 435.705 4.926 10 1 IJCF Cc1ccccc1NC(=O)Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21 13550295 QTGVMJARVQJAHT-RQZHXJHFSA-N 428.448 4.924 10 1 IJCF CCCCc1ccc(NC(=O)CCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27554318 SQYHIGYDTLNODF-UUOWRZLLSA-N 428.573 4.651 10 1 IJCF COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2C)ccc1O 29044607 FDPMSDOQKYGNAQ-FQEVSTJZSA-N 433.533 4.963 10 1 IJCF COc1ccc(C2=C([Si](C)(C)C)[C@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 205838744 DACYBNXMAMOOFD-QFQXNSOFSA-N 443.575 4.969 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2O)N1 587714923 GMQKRTJMPGKBDP-VGDKGRGNSA-N 433.090 4.819 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587769695 ZKHCKPPNNKSCMK-RCDICMHDSA-N 433.365 4.903 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 587834616 SOWROIICDGNVQI-MYODQAERSA-N 438.296 4.664 10 1 IJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1ccc(O)c(C)c1O 963913324 BHPPUJYCORAWSL-CRICUBBOSA-N 441.524 4.615 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 209121497 JQUAMDRECRQAHF-UQASEVPWSA-N 448.485 4.715 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 587827842 LRMSDFARPPWWMO-WHEQGISXSA-N 444.300 4.938 10 1 IJCF Cc1oncc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 145753192 PZUAFMFTEFURQU-KRWDZBQOSA-N 431.536 4.867 10 1 IJCF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587027023 MDTVCKRYQNLFTH-UHFFFAOYSA-N 425.469 4.954 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c21 587116365 VEVGXPHNILPHAY-UHFFFAOYSA-N 444.372 4.967 10 1 IJCF Cc1c(Cl)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] 587693227 MQVLUNUVZMLECC-CVJBHZAOSA-N 443.700 4.962 10 1 IJCF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1O)NC(N)=N2 103238786 SJLOWYLCAAVWPM-QFIPXVFZSA-N 440.532 4.733 10 1 IJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NC)c21 587469603 JHQADHKBUOFQCU-HHHXNRCGSA-N 442.515 4.882 10 1 IJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4(C(F)(F)F)CC4)cc3)C2)cc1 142281955 XEHCERKZWHIADP-INIZCTEOSA-N 448.485 4.873 10 1 IJCF CN1C[C@H](c2ccc(Cl)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169403263 VUXOCPYHHYWKAK-ATIYNZHBSA-N 441.914 4.612 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 587820964 GEXKEFCRGYWWFX-WHEQGISXSA-N 428.301 4.826 10 1 IJCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N3)CC2=O 587487308 UZXWHZMIHXNFCM-SMGGHZSKSA-N 433.504 4.764 10 1 IJCF CC(C)(C)c1cc(O)c(O)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925825 RBLAAQYWVWAWCJ-JTHBVZDNSA-N 449.503 4.582 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587753821 JUTNSVSRRZEEKP-AMXDTQDGSA-N 445.332 4.648 10 1 IJCF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1Cl 963237761 UFVWRJPDCXLBOT-ISKFKSNPSA-N 431.923 4.984 10 1 IJCF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587109461 QCNLGAXGUDHBGT-UHFFFAOYSA-N 436.345 4.722 10 1 IJCF O=C(c1ccccc1[N+](=O)[O-])c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28461398 GNBVLVYZMSESIQ-WEVVVXLNSA-N 428.400 4.661 10 1 IJCF CCn1c2ccc([C@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 49109278 YIZSSRKAWPWUOQ-JOCHJYFZSA-N 440.547 4.799 10 1 IJCF C[C@H]1CCC[C@@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 169356402 RPBWERXPOMPCDJ-APKDTHRUSA-O 431.578 4.605 10 1 IJCF COc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c3oc2c(O)c1O 14641744 AKDVTCRYUOWSCO-UHFFFAOYSA-N 426.465 4.795 10 1 IJCF biogenic COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br 587682436 YYXLWABLQWEMSL-QPFGOUBPSA-N 445.126 4.689 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2O)N1 587717017 KKQIBHPZSIJOOR-QZTNRIJFSA-N 433.090 4.819 10 1 IJCF CN(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 45318270 SSTRSEGLZNKWAN-IBGZPJMESA-N 437.584 4.872 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587742068 JFGTWDGPQNSBMW-QKVFXAPYSA-N 435.337 4.830 10 1 IJCF O=C(O)c1cccc2c1CCN[C@@]2(Cc1ccccc1Cl)c1cc(Cl)c(O)cc1O 963133732 SBPAAXBTYAXEHY-HSZRJFAPSA-N 444.314 4.735 10 1 IJCF COc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587679047 PUMGDYLPGLBSJB-ZKANADHPSA-N 445.126 4.689 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2O)N1 587682668 UXOCJHXTIIAODT-HUTHGQBESA-N 429.127 4.854 10 1 IJCF CN(C)c1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2c2ccc3c(c2)CCC3)cc1 1857571005 QJJNXLBJIJTTDI-LOSJGSFVSA-N 426.516 4.811 10 1 IJCF COc1ccc2c(c1OC)[C@@H](c1c(O)ccc(Cl)c1Br)N(C)[C@@H](C)C2 962568082 KVEVRKARFRGXEF-YPMLDQLKSA-N 426.738 4.791 10 1 IJCF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cc(O)c(O)cc2CC[C@@H]1N1CCCC1 607378 PEZBKNYRYXUEGF-CVDCTZTESA-N 449.378 4.557 10 1 IJCF COc1cc([C@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2C)ccc1O 40423073 FDPMSDOQKYGNAQ-HXUWFJFHSA-N 433.533 4.963 10 1 IJCF COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587678627 KSRNIZLLGQLADP-ZKANADHPSA-N 445.126 4.689 10 1 IJCF COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c(O)c1 29129307 NZZRNFIKNPDDKJ-GMKZXUHWSA-N 437.467 4.600 10 1 IJCF COc1ccc(NS(=O)(=O)c2ccc(/N=N/[C@@H](C)c3ccncc3)c([N+](=O)[O-])c2)cc1 169689163 YSISFOZXZKTXRK-FAFWDCIRSA-N 441.469 4.644 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587789877 GEBUIBUJTXBKLJ-MPBGBICISA-N 431.349 4.616 10 1 IJCF Cc1cc(=O)oc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587837365 GDZDPEWFRVPCRX-WIUDPPPLSA-N 432.289 4.506 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587769693 ZKHCKPPNNKSCMK-JLCFBVMHSA-N 433.365 4.903 10 1 IJCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2c(O)ccc3cc(Br)ccc23)N1 963230949 REIGUYWRFHNFQJ-UGKGYDQZSA-N 449.304 4.544 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 587833205 MKKZSAHWWPIONY-WHEQGISXSA-N 428.301 4.826 10 1 IJCF COc1ccc2c(Nc3cccc(NS(C)(=O)=O)c3OC)c3cccc(C)c3nc2c1 26941222 GFCUTGCNXAMUGI-UHFFFAOYSA-N 437.521 4.829 10 1 IJCF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586939950 VKCMRLHHPBWPJC-HNNXBMFYSA-N 436.537 4.681 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 587827840 LRMSDFARPPWWMO-DMZKTXOQSA-N 444.300 4.938 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 587764606 GHIHPMOPWNLXTJ-PEBXRYMYSA-N 433.365 4.687 10 1 IJCF Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)c1O)C3=O 2356716731 WEGMUYMBGYFHLV-RFVSGWPVSA-N 445.515 4.505 10 1 IJCF CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1C 26845741 VIKMFPQZENOURY-UHFFFAOYSA-N 434.521 4.770 10 1 IJCF CCOP(=O)(OCC)C(CC(=O)C(=O)c1ccccc1)P(=O)(OCC)OCC 27519624 ICDHGZBROSACTF-UHFFFAOYSA-N 434.362 4.687 10 1 IJCF Oc1c(CN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2cccnc12 53184576 SUQDEEBXXYOUST-UHFFFAOYSA-N 432.749 4.679 10 1 IJCF O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 102673851 RNTDMIZPYVEWAN-GHVJWSGMSA-N 444.469 4.799 10 1 IJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3c(ccc12)O[C@H](C)C3 26844353 ZKXFVORCKOEIEP-CQSZACIVSA-N 449.532 4.835 10 1 IJCF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(C)(F)F 149638036 OJJHMCYGFYIVIC-KRWDZBQOSA-N 428.523 4.782 10 1 IJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CN2CCCCC2)c1 587596209 RIHRAEPSIYLPNQ-OZXSUGGESA-N 431.488 4.787 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3ccc(C(F)(F)F)cc3)nc21 95588190 PEARKRDMSXXLMM-UHFFFAOYSA-N 435.405 4.647 10 1 IJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CN2CCCCC2)c1 587596207 RIHRAEPSIYLPNQ-BVAGGSTKSA-N 431.488 4.787 10 1 IJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)O2 587390890 SHJMFBQXRQZKFO-WAIKUNEKSA-N 434.492 4.543 10 1 IJCF CC(C)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767489 RAGZRBDEPXXDSI-QMHKHESXSA-N 446.408 4.742 10 1 IJCF COc1cc2c(cc1OC)[C@@H](CCCN=[N+]=[N-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795432 FMWRNNNTLXAIHQ-HXUWFJFHSA-N 447.495 4.584 10 1 IJCF Cc1cccc(-n2nc(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)c1 13864602 IVROVTJJXSUUOY-GHVJWSGMSA-N 438.465 4.716 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 587764052 BQOHUKSCDMBUQV-PEBXRYMYSA-N 433.365 4.903 10 1 IJCF Cc1csc([C@@](O)(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)F)n1 587093772 GPYWSRRGYCNWCV-IBGZPJMESA-N 434.443 4.695 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749468 YFUZONLMQHVQAJ-YUNKPMOVSA-N 434.309 4.720 10 1 IJCF COc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587678626 KSRNIZLLGQLADP-VPTHRUTESA-N 445.126 4.689 10 1 IJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c21 587134196 KGFQLSNTIZCIKD-UHFFFAOYSA-N 428.366 4.850 10 1 IJCF CCC[S@@](=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 1857551308 IFQFTAVRFSFDFF-GDLZYMKVSA-N 447.597 4.697 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 587824251 ZCKJJYOHQDCFRZ-IPQOISQHSA-N 444.300 4.531 10 1 IJCF CC1=NN(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653717444 HOJUQSMMHPQJHL-HGMDMCOWSA-N 425.410 4.865 10 1 IJCF COc1ccc(C[C@]2(c3ccc(O)cc3O)c3ccc(F)cc3C[C@@H]3CCCN32)cc1OC 963115993 WNWXJEFRYDBOST-CCLHPLFOSA-N 449.522 4.761 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)c(F)c3)C2)cc1 1772615327 PNDWMODFFAUBOW-RRMPHLOHSA-N 448.485 4.715 10 1 IJCF O=C(CCSC(=S)NCc1cccnc1)c1cn(-c2cccs2)c2ncccc12 1857603493 UGLOCGAOEQEDFM-UHFFFAOYSA-N 438.603 4.863 10 1 IJCF Cc1nn(-c2ccc(F)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864606 UONROTSANJHKRM-GHVJWSGMSA-N 442.428 4.546 10 1 IJCF CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169403242 VUXOCPYHHYWKAK-BKMJKUGQSA-N 441.914 4.612 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 587691652 CLFXTKVTGWHMHJ-YUNKPMOVSA-N 439.756 4.702 10 1 IJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cc3)C2)cc1 209119492 PNHDBMZFAYPERV-XKDCRVNJSA-N 430.495 4.575 10 1 IJCF Cc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587681816 XXCXWEOAXPTIII-ABKXIKBNSA-N 429.127 4.988 10 1 IJCF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587766945 PFHSQHQRKYNHJX-YEJXKQKISA-N 447.348 4.599 10 1 IJCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cc2ccccc2cc1O 963151223 SLNVFDLCSJRQLC-GAJHUEQPSA-N 440.521 4.512 10 1 IJCF COc1ccc(N2CCN(C[C@H](OC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 1857763024 TWXKJQQRNVQVLU-SANMLTNESA-N 430.548 4.724 10 1 IJCF Cc1ccc(Oc2ccc(C(=O)c3nc(C(=O)O)cc4cc(O)c(O)cc34)cc2F)cc1 3815870 DNPZWCUURDPIBN-UHFFFAOYSA-N 433.391 4.815 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2O)N1 587677164 HBEAIGYGPRQJHI-HUTHGQBESA-N 429.127 4.854 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 587749465 YFUZONLMQHVQAJ-MPBGBICISA-N 434.309 4.720 10 1 IJCF COc1ccc([C@@]2(Cc3ccncc3)C(=O)c3ccc(O)cc3C2=O)cc1OC1CCCC1 13781562 FQSYKPNKZQUWSH-MHZLTWQESA-N 443.499 4.677 10 1 IJCF CCN(CC)CCO[C@H](c1cc(OC)ccc1OC)c1ccc2n1-c1ccccc1OC2 31908640 LWEQIHCJYLJSBS-AREMUKBSSA-N 436.552 4.835 10 1 IJCF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 2356440703 MMPODADSKBDMPK-CBJTVTONSA-N 438.542 4.738 10 1 IJCF CC(=O)Nc1sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O 586993344 GJKOKQHSLXNWNP-UHFFFAOYSA-N 444.468 4.845 10 1 IJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(Br)c1[N+](=O)[O-] 587935469 ALSWRPAJTQTPNY-UHFFFAOYSA-N 435.299 4.527 10 1 IJCF COc1ccc(/N=N/c2ccc(F)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1 1857586502 OUUBNLFYTCOBBQ-CYYJNZCTSA-N 438.394 4.921 10 1 IJCF Cc1ccc([C@@H](NC(=O)CNCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40899971 ASSYCVVNEVZBNE-XMMPIXPASA-N 445.950 4.898 10 1 IJCF O=[N+]([O-])c1ccccc1C/C=C/N=N/c1nc(N2CCCCC2)nc(N2CCCCC2)n1 169691946 MDYYAHUZYXOHOD-NMAPEQPOSA-N 436.520 4.601 10 1 IJCF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 586931127 WKFLECGXBUJQQL-UHFFFAOYSA-N 436.537 4.635 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(F)c2O)N1 587717422 FZXWVOXKNBGVMR-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587821323 HPXYTWXKJJLUTM-MCMMXHMISA-N 428.301 4.826 10 1 IJCF COCC[C@H]1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 169719595 BPOHPEHPEDXGDF-NSISKUIASA-N 449.330 4.698 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 587837717 KOPTWRQHJWCMIU-RKFFSXRUSA-N 442.284 4.931 10 1 IJCF COCC[C@H]1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 169719596 BPOHPEHPEDXGDF-AHRSYUTCSA-N 449.330 4.698 10 1 IJCF O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1C1CC1 169330197 SIVBWNOAMDPUSU-UHFFFAOYSA-N 447.947 4.589 10 1 IJCF CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)ccc1OCCC(=O)O 45368105 NZBJLVCPAPYDEQ-HMAPJEAMSA-N 444.487 4.898 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 587747910 SSIXWIMSGYOBCT-WYRIXSBYSA-N 432.297 4.635 10 1 IJCF COc1ccc2c(c1Br)CN1CN2Cc2c1ccc(OC)c2Br 103182923 SABBZZVXOKHKES-UHFFFAOYSA-N 440.135 4.527 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 587793657 SCPDGGCEBXAISJ-MPBGBICISA-N 431.349 4.616 10 1 IJCF C[C@H](NC(=O)c1ccno1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772606914 CWLCOJMMZVDONE-MHECFPHRSA-N 447.535 4.612 10 1 IJCF COc1ccc(C2=C(C(=O)O)[C@@H](c3ccc(O)c(O)c3)Oc3ccc(OC(C)C)cc32)cc1 13473395 VUICZVWTTJSTBJ-RUZDIDTESA-N 448.471 4.914 10 1 IJCF C/C(=C\Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O)CCCC(C)(C)O 474609361 QCZYVJCMDOSNRL-OMCISZLKSA-N 428.525 4.755 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587272243 QNGQOOAUEUUSJQ-QFSBIZTOSA-N 426.274 4.764 10 1 IJCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3)CC2=O 587487280 UZXWHZMIHXNFCM-FWIQNENWSA-N 433.504 4.764 10 1 IJCF Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587675692 ATKJOJWNGFOQQP-XXFAHNHDSA-N 429.127 4.988 10 1 IJCF CCOP(=O)(OCC)c1c(-c2cccnc2Cl)oc2c1C(=O)c1ccccc1C2=O 1857543865 NUDCBKHVLBJRKL-UHFFFAOYSA-N 445.795 4.662 10 1 IJCF CCCCc1ccc(NC(=O)CCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27554314 SQYHIGYDTLNODF-MHECFPHRSA-N 428.573 4.651 10 1 IJCF CCCCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 45372526 QPNNHESIIGBWRN-UHFFFAOYSA-N 443.540 4.881 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587742064 JFGTWDGPQNSBMW-GTJPDFRWSA-N 435.337 4.830 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 587837446 HAYYUETUVAZEKD-XFNZEKPQSA-N 442.284 4.931 10 1 IJCF Cc1cc([C@H]2NCCc3c(C(=O)O)cccc32)c(C)n1-c1ccccc1Br 963130553 JTSUYSHHJBDCRY-NRFANRHFSA-N 425.326 4.790 10 1 IJCF Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)ccn1 38840977 OBQMBHRRROYZCS-UHFFFAOYSA-N 444.940 4.862 10 1 IJCF CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587744209 RARDHNAKAUFPPT-GTJPDFRWSA-N 435.337 4.830 10 1 IJCF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccc(O)c(O)c2CC[C@@H]1N1CCCC1 27847748 FHTQNQAHOUQYAE-UGKGYDQZSA-N 449.378 4.557 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 587834571 SFJWBRSTPQQTOQ-WHEQGISXSA-N 428.301 4.826 10 1 IJCF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586915174 BRSZPRREXFADCE-PPHZAIPVSA-N 436.467 4.555 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 587821325 HPXYTWXKJJLUTM-XMHCIUCPSA-N 428.301 4.826 10 1 IJCF COc1cc([C@@H]2C[C@H](O)C[C@@H](CCc3ccc(O)c(CCC(C)C)c3)O2)cc(O)c1O 2356775021 GDRIYSAPVTZOPJ-VIZSFHNOSA-N 430.541 4.614 10 1 IJCF Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)cn1 38562118 XLMKJKFIVALQTK-UHFFFAOYSA-N 444.940 4.862 10 1 IJCF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cccc(F)c2O)N1c1cccc(F)c1 29129192 WOTQTFACCNWFLS-MQSCRBSSSA-N 425.431 4.731 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587692639 BQRZILYSRSYHQF-RBHXEPJQSA-N 429.673 4.653 10 1 IJCF CC(C)N1CCN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1 13607740 YLNWZYQQSWHFOP-NDEPHWFRSA-N 443.591 4.780 10 1 IJCF Oc1ccc(CCNCCCCCCNCCc2ccc(Cl)cc2)c(Cl)c1O 45322009 ZSHSQUDPXBDHDD-UHFFFAOYSA-N 425.400 4.929 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 587698440 VHNXOXXWGJGLSA-MPBGBICISA-N 439.756 4.702 10 1 IJCF CC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2)CCCC(C)(C)O 2356538617 LKKMBXHWLZIZLK-OAQYLSRUSA-N 442.508 4.646 10 1 IJCF CC[C@H](N=[N+]=[N-])[C@H](O)[C@]1(Br)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 28822311 UAPYDHGDPWJEET-LJZWMIMPSA-N 443.345 4.915 10 1 IJCF O=C(c1ccc(F)c(C(F)(F)F)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294541 SRXDEZJWOBHNKL-LJQANCHMSA-N 429.373 4.937 10 1 IJCF NC(=O)N1CCc2sccc2[C@@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 962715297 RGLBCOQILVEERJ-DEOSSOPVSA-N 430.485 4.647 10 1 IJCF O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(C(F)(F)F)c3)C2=O)cc1 40393062 HRIZDHBBDQTZEK-AUWJEWJLSA-N 427.400 4.949 10 1 IJCF COc1ccc2c(c1OC)[C@@H](c1c(Cl)ccc(Br)c1O)N(C)[C@H](C)C2 962560549 CSUHVVQIZJVVLK-QGHHPUGFSA-N 426.738 4.791 10 1 IJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 587766976 POTCGKQYBJFAIT-JLCFBVMHSA-N 432.381 4.958 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2O)N1 587713353 BYGLKDHNWGJBAT-KWKYVRJSSA-N 433.090 4.819 10 1 IJCF CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744007 YNGCAIWFFGNVIS-DMZKTXOQSA-N 447.348 4.521 10 1 IJCF COc1ccc(C/N=N/c2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1OC 169689442 SCFHYKGHNVLVQN-RMLRFSFXSA-N 433.516 4.907 10 1 IJCF CCCCCc1cc(CC[C@@H]2C[C@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356556707 LMFOOICIYWILJW-MIZPHKNDSA-N 430.541 4.759 10 1 IJCF COc1ccc([C@H](NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1OC 17360756 JVQDKPGGCMHFRG-NRFANRHFSA-N 449.894 4.525 10 3 IJCF C[C@@H]1CCC[C@H](CO[C@H]2CCC[C@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 254120819 RPBWERXPOMPCDJ-INEVWHPWSA-O 431.578 4.605 10 1 IJCF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCO/N=[N+](\[O-])N1CCCC1 13831449 NATFJBPLXVSVNK-BZZOAKBMSA-N 439.299 4.685 10 1 IJCF COc1ccccc1-n1c(O)c2c(c1O)[C@@H](c1ccc(N(C)C)cc1)N(c1ccccc1)O2 169688516 PGLDXXJAYLCJRZ-HSZRJFAPSA-N 443.503 4.867 10 1 IJCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 587536521 VCWRFVYYXIDERT-IGKIAQTJSA-N 442.467 4.540 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2O)N1 587676804 FVXCTUUREGJGFL-XLFHBGCDSA-N 429.127 4.854 10 1 IJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277378 VCYBTZKAQWFOQM-HFAKWTLXSA-N 444.264 4.903 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Br)cc2F)N1 587719637 LKPWQWWPJAWQDY-QZTNRIJFSA-N 433.090 4.819 10 1 IJCF COc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21 101890972 RQDAPUUNXMBTJD-CYYJNZCTSA-N 444.447 4.624 10 1 IJCF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587766943 PFHSQHQRKYNHJX-ASSNKEHSSA-N 447.348 4.599 10 1 IJCF O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccc(Oc2ccccc2)cc1 1857748591 QESJXBOIIUAABG-UHFFFAOYSA-N 436.445 4.638 10 1 IJCF CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(F)cc3)N2)c1O 2934409 QPMIIEZVJIZOAU-NBGIEHNGSA-N 434.467 4.633 10 1 IJCF CCCCc1ccc(NC(=O)CCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27554316 SQYHIGYDTLNODF-KOSHJBKYSA-N 428.573 4.651 10 1 IJCF Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4O)=NN3C3=NC(=O)CS3)cc2c1 98085536 MHCYLQOPXIJVNU-GOSISDBHSA-N 436.924 4.683 10 1 IJCF C[C@@H]1CCC[C@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 169356403 RPBWERXPOMPCDJ-RFCUBKQJSA-O 431.578 4.605 10 1 IJCF COc1cc([C@@H](CCC(C)C)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)ccc1O 2356368486 QCUJUMBWCONHDT-AZUAARDMSA-N 430.541 4.675 10 1 IJCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccc(C(F)(F)F)c1 28764568 LVMQQISFBUHCMK-UHFFFAOYSA-N 447.501 4.855 10 1 IJCF Nc1ccc(Oc2ccc3nc(CNC(=O)c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 587112186 PUEGCEHHQIFTLZ-UHFFFAOYSA-N 426.398 4.886 10 1 IJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590653 ZNDBGMMHKUNBER-XNUSYHTGSA-N 443.499 4.790 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Br)cc2F)N1 587719630 LKPWQWWPJAWQDY-GYKQLYQFSA-N 433.090 4.819 10 1 IJCF COc1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc(OC)c1OC 617960094 BEKIBCBAZCUJIS-UHFFFAOYSA-N 434.246 4.586 10 1 IJCF COc1ccc([C@]2(c3ccccc3O)c3ccsc3CCN2Cc2cccn2C)c(O)c1 962370687 GOHXLNNNJAYWQG-AREMUKBSSA-N 446.572 4.857 10 1 IJCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)CC2=O 587487303 UZXWHZMIHXNFCM-MKMKXQKHSA-N 433.504 4.764 10 1 IJCF CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1 1857548196 JMOMEHFOJBRPAO-DQSJHHFOSA-N 427.592 4.752 10 1 IJCF COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2Cc1ccccc1 38216399 AYMSYYHWAONOKI-JOCHJYFZSA-N 427.508 4.845 10 1 IJCF C[C@H](NC(=O)C(F)(F)F)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 223369725 UFOLEYWWBUUHMK-AOMKIAJQSA-N 448.485 4.873 10 1 IJCF CC(C)N1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1 473109115 PSWJPVKZLUOAGK-UHFFFAOYSA-N 425.592 4.616 10 1 IJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 587694797 AFEHFAMLMJYDIJ-OVWNDWIMSA-N 442.712 4.590 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(F)c2O)N1 587717420 FZXWVOXKNBGVMR-NZFNHWASSA-N 433.090 4.819 10 1 IJCF CCOC(=O)c1ccc2c(ccn2Cc2cc(CN3CCCC3)c(O)c3ncccc23)c1 1857758833 YBKIXBSKNZBAAS-UHFFFAOYSA-N 429.520 4.716 10 1 IJCF COc1ccc(Br)c(C[C@@H]2c3c(O)ccc(Br)c3CCN2C)c1 13805173 IQBSBUKJNHJCGU-MRXNPFEDSA-N 441.163 4.698 10 1 IJCF Cc1nc(C(F)(F)F)ccc1/C=C/C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58590498 XQBRQXPEIWSRLI-HWKANZROSA-N 447.240 4.725 10 1 IJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 587721860 QTXDCTQFSFYBMM-HUTHGQBESA-N 434.227 4.990 10 1 IJCF NC(=O)N1CCc2sccc2[C@@]1(Cc1ccccc1)c1cc(Br)ccc1O 962715182 QVPUCXKXYRMNFS-NRFANRHFSA-N 443.366 4.639 10 1 IJCF COc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784783 DHVMHHJJVMRVKF-NSCUHMNNSA-N 445.191 4.814 10 1 IJCF Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(C(F)(F)F)CC4)cc3)c2c1 473137274 XRDCXADXNCHQNN-UHFFFAOYSA-N 430.474 4.660 10 1 IJCF COC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576607 JSRIZGOZAPBYPA-BVAGGSTKSA-N 443.455 4.531 10 1 IJCF Oc1ccc(C2=C[C@@]3(NCCc4nc5ccccn5c43)c3ccc4ccccc4c3O2)cc1O 962981956 IOCZKFUJGZOYPZ-MUUNZHRXSA-N 447.494 4.722 10 1 IJCF O=c1c2cn[nH]c2c2ccc(-c3cncnc3C3CCCCC3)cc2n1CC(F)(F)F 220070379 UWOXVTLLCJDFIG-UHFFFAOYSA-N 427.430 4.945 10 1 IJCF CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772597731 HUQHSNCKQRZNKK-YADARESESA-N 425.573 4.854 10 1 IJCF CC(C)=CCc1cc(-c2oc3c4c(cc(O)c3c(=O)c2O)O[C@@H](C)C4(C)C)cc(O)c1O 13380014 SOQFBCLXNNQJDD-LBPRGKRZSA-N 438.476 4.850 10 1 IJCF biogenic,in-vitro CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1cc(O)c(O)cc1O)O2 14641677 VAMCWHRUNLMVEF-OAQYLSRUSA-N 440.492 4.939 10 1 IJCF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2O)N1 587713362 BYGLKDHNWGJBAT-ZIDLFYJRSA-N 433.090 4.819 10 1 IJCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc2c1 26940433 GRIJLVXNHNTOCC-UHFFFAOYSA-N 436.537 4.862 10 1 IJCF CC(C)=CCC[C@H](C)/C=C/c1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2 238732215 IEODVJYQTXSRDV-OLZSQSSXSA-N 440.492 4.582 10 1 IJCF CC(C)COc1cccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587566143 XNCWTGMYLRNXLL-UHFFFAOYSA-N 426.472 4.952 10 1 IJCF COC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576610 JSRIZGOZAPBYPA-ZEQKJWHPSA-N 443.455 4.531 10 1 IJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(O)c32)N1 587684844 PYFBLFMICCCLFB-DYBLOJMWSA-N 441.138 4.780 10 1 IJCF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)s1 587023277 MMIVRINVVFRICJ-UHFFFAOYSA-N 446.488 4.809 10 1 IJCF C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 101428254 MMPODADSKBDMPK-JBWGREPBSA-N 438.542 4.738 10 1 IJCF CCC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)N=C2c2ccccc2)cc1 6040746 MNLQWDMBDYUKBZ-QNGOZBTKSA-N 441.487 4.584 10 1 IJCF